# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-10T12:23:20+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2018 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1547705","9.9819","0.0002","19.8256","0.0004","20.6783","0.0004","90","","91.212","0.002","90","","4091.26","0.14","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H23 Cl8 Dy N5 Na O5 -","- C39 H23 Cl8 Dy N5 Na O5 -","- C156 H92 Cl32 Dy4 N20 Na4 O20 -","4","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0924","0.0582","","","0.1059","0.1273","","","","","","1.156","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547706","15.8989","0.0016","16.0286","0.0016","19.542","0.002","98.384","0.009","91.201","0.009","118.115","0.01","4322.5","0.9","120","2","120.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H58 Cl16 Dy2 K N11 O8 -","- C84 H58 Cl16 Dy2 K N11 O8 -","- C168 H116 Cl32 Dy4 K2 N22 O16 -","2","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.2146","0.0946","","","0.1231","0.1898","","","","","","0.996","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547707","36.1061","0.0011","11.5705","0.0003","22.7831","0.0006","90","","109.429","0.003","90","","8976","0.5","120","2","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl8 Dy N5 O4 -","- C44 H36 Cl8 Dy N5 O4 -","- C352 H288 Cl64 Dy8 N40 O32 -","8","1","","Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio","Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.","Chemical science","2018","9","1","199","208","10.1039/c7sc03463f","","","0.71073","MoKα","","0.0364","0.0276","","","0.0527","0.0579","","","","","","1.101","","","","has coordinates","228674","2020-10-21","18:00:00",""
"1547767","10.86","0.001","12.7006","0.0011","14.3671","0.0013","73.501","0.01","72.779","0.011","89.315","0.011","1809.2","0.3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","Aluminumtris(decafluordiphenylamide)","","","- C36 Al F30 N3 -","- C36 Al F30 N3 -","- C72 Al2 F60 N6 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0661","0.0375","","","0.0839","0.0914","","","","","","0.853","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547768","14.4989","0.0014","18.051","0.002","21.909","0.002","84.427","0.013","73.249","0.012","67.033","0.012","5054.7","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C105 H31 Al2 F62 Li N6 -","- C105 H31 Al2 F62 Li N6 -","- C210 H62 Al4 F124 Li2 N12 -","2","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1244","0.0538","","","0.1268","0.1483","","","","","","0.793","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547769","7.9908","0.0007","20.611","0.003","22.8236","0.0019","90","","108.292","0.007","90","","3569.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Galliumtris(decafluordiphenylamide)","","","- C36 F30 Ga N3 -","- C36 F30 Ga N3 -","- C144 F120 Ga4 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.1886","0.0509","","","0.0984","0.1359","","","","","","0.712","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547770","13.0294","0.0005","26.0373","0.0007","16.8481","0.0006","90","","92.421","0.003","90","","5710.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesiumtris(decafluordiphenylamide)fluoroaluminate","","","- C57 H24 Al Cs F31 N3 -","- C57 H24 Al Cs F31 N3 -","- C228 H96 Al4 Cs4 F124 N12 -","4","1","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71069","MoKα","","0.0828","0.0601","","","0.1657","0.1779","","","","","","1.097","","","","has coordinates","276343","2022-06-28","16:14:41",""
"1547771","11.2887","0.0005","13.9044","0.0007","20.9274","0.0011","98.126","0.002","103.279","0.002","111.821","0.001","2873","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tetraphenylarsoniumtris(decafluordiphenylamide)chlorogallate","","","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","- C125 H52 As2 Cl2 F60 Ga2 N6 -","1","0.5","","Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J.","The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>.","Chemical science","2018","9","1","245","253","10.1039/c7sc03988c","","","0.71073","MoKα","","0.0664","0.0375","","","0.0853","0.1042","","","","","","1.074","","","","has coordinates,has disorder","276343","2022-06-28","16:14:41",""
"1547772","19.555","0.006","6.165","0.002","10.117","0.003","90","","98.628","0.006","90","","1205.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O -","- C13 H19 N O -","- C52 H76 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0778","0.0608","","","0.1477","0.1618","","","","","","1.002","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547773","27.159","0.013","7.49","0.004","9.539","0.005","90","","106.51","0.008","90","","1860.4","1.7","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl N O -","- C9 H10 Cl N O -","- C72 H80 Cl8 N8 O8 -","8","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0998","0.0735","","","0.2312","0.2723","","","","","","1.08","","","","has coordinates,has disorder","228724","2020-10-21","18:00:00",""
"1547774","8.6745","0.0003","9.6624","0.0004","13.8499","0.0005","86.795","0.003","81.245","0.003","81.324","0.003","1133.55","0.07","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 Cl O P Pd -","- C21 H36 Cl O P Pd -","- C42 H72 Cl2 O2 P2 Pd2 -","2","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0333","0.0284","","","0.0627","0.0658","","","","","","1.052","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547775","12.295","0.005","5.569","0.002","18.014","0.007","90","","101.033","0.006","90","","1210.6","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Gao, Bao; Zhang, Guoying; Zhou, Xibing; Huang, Hanmin","Palladium-catalyzed regiodivergent hydroaminocarbonylation of alkenes to primary amides with ammonium chloride.","Chemical science","2018","9","2","380","386","10.1039/c7sc04054g","","","0.71073","MoKα","","0.0557","0.0436","","","0.0978","0.1058","","","","","","1.003","","","","has coordinates","228724","2020-10-21","18:00:00",""
"1547805","35.5176","0.0009","4.6594","0.0001","23.3989","0.0006","90","","116.089","0.001","90","","3477.76","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19.5 N3 O0.5 -","- C21 H19.5 N3 O0.5 -","- C168 H156 N24 O4 -","8","1","","Li, Wanfang; Boon, Jie Kang; Zhao, Yu","Nickel-catalyzed difunctionalization of allyl moieties using organoboronic acids and halides with divergent regioselectivities.","Chemical science","2018","9","3","600","607","10.1039/c7sc03149a","","","1.54178","CuKα","","0.0583","0.0467","","","0.1159","0.1232","","","","","","1.053","","","","has coordinates","228869","2020-10-21","18:00:00",""
"1547835","8.3146","0.0004","11.1767","0.0005","16.4216","0.0007","90","","90","","90","","1526.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-11-methoxy-7-methyl-1,2,3,5,6,7-hexahydro-4H-benzo[3,4] cyclohepta[1,2-b]benzofuran-4-one","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joyce, Leo A.; Nawrat, Christopher C.; Sherer, Edward C.; Biba, Mirlinda; Brunskill, Andrew; Martin, Gary E.; Cohen, Ryan D.; Davies, Ian W.","Beyond optical rotation: what's left is not always right in total synthesis.","Chemical science","2018","9","2","415","424","10.1039/c7sc04249c","","","1.54178","CuKα","","0.0245","0.0243","","","0.0622","0.0624","","","","","","1.089","","","","has coordinates","228725","2020-10-21","18:00:00",""
"1547836","27.352","0.012","15.144","0.007","13.336","0.006","90","","116.222","0.007","90","","4956","4","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Co Fe2 N14 O2 -","- C50 H34 Co Fe2 N14 O2 -","- C200 H136 Co4 Fe8 N56 O8 -","4","0.5","","Jiang, Wenjing; Jiao, Chengqi; Meng, Yinshan; Zhao, Liang; Liu, Qiang; Liu, Tao","Switching single chain magnet behavior <i>via</i> photoinduced bidirectional metal-to-metal charge transfer.","Chemical science","2018","9","3","617","622","10.1039/c7sc03401f","","","0.71073","MoKα","","0.0763","0.0496","","","0.1533","0.1695","","","","","","1.07","","","","has coordinates","228872","2020-10-21","18:00:00",""
"1547843","8.3521","0.0017","12.418","0.002","20.681","0.004","90","","97.923","0.004","90","","2124.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F2 N2 O2 -","- C26 H22 F2 N2 O2 -","- C104 H88 F8 N8 O8 -","4","1","","Lv, Zhuang; Wei, Huanjie; Li, Qing; Su, Xianlong; Liu, Shujuan; Zhang, Kenneth Yin; Lv, Wen; Zhao, Qiang; Li, Xianghong; Huang, Wei","Achieving efficient photodynamic therapy under both normoxia and hypoxia using cyclometalated Ru(ii) photosensitizer through type I photochemical process.","Chemical science","2018","9","2","502","512","10.1039/c7sc03765a","","","0.71073","MoKα","","0.115","0.0488","","","0.1254","0.1594","","","","","","0.974","","","","has coordinates","228723","2020-10-21","18:00:00",""
"1547871","5.9414","0.0011","15.879","0.003","19.207","0.004","90","","94.096","0.003","90","","1807.4","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N4 O S -","- C19 H24 N4 O S -","- C76 H96 N16 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0791","0.0461","","","0.0991","0.1139","","","","","","1.01","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547872","16.166","0.004","8.073","0.002","12.176","0.003","90","","99.741","0.004","90","","1566.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C68 H76 N12 O4 S4 -","4","1","","Wei, Peng; Yuan, Wei; Xue, Fengfeng; Zhou, Wei; Li, Ruohan; Zhang, Datong; Yi, Tao","Deformylation reaction-based probe for <i>in vivo</i> imaging of HOCl.","Chemical science","2018","9","2","495","501","10.1039/c7sc03784h","","","0.71073","MoKα","","0.0836","0.0433","","","0.1016","0.1188","","","","","","1.005","","","","has coordinates","228722","2020-10-21","18:00:00",""
"1547877","11.81","0.00016","16.5659","0.0002","18.388","0.0002","90","","92.9627","0.0013","90","","3592.68","0.08","183","7","183","7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Eu F9 O9 S3 -","- C30 H26 Eu F9 O9 S3 -","- C120 H104 Eu4 F36 O36 S12 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.0362","0.0251","","","0.0512","0.0573","","","","","","1.075","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547878","10.5124","0.0003","18.3614","0.0005","18.9788","0.0005","90","","98.264","0.002","90","","3625.29","0.17","180","0.14","180","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F9 O9 S3 Y -","- C30 H26 F9 O9 S3 Y -","- C120 H104 F36 O36 S12 Y4 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","0.71073","MoKα","","0.075","0.0441","","","0.0943","0.1078","","","","","","1.035","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547879","13.7492","0.0004","20.1925","0.0003","25.829","0.0006","90","","90.402","0.002","90","","7170.7","0.3","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H46 Cl2 Eu F24 N5 O6 -","- C71 H44 Eu F24 N5 O6 -","- C284 H176 Eu4 F96 N20 O24 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.1028","0.0605","","","0.1418","0.1576","","","","","","0.99","","","","has coordinates,has disorder","228726","2020-10-21","18:00:00",""
"1547880","8.38538","0.00015","27.3868","0.0004","18.8875","0.0003","90","","102.271","0.0017","90","","4238.4","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H17 Eu F24 O9 -","- C36 H17 Eu F24 O9 -","- C144 H68 Eu4 F96 O36 -","4","1","","Babel, Lucille; Guénée, Laure; Besnard, Céline; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Cooperative loading of multisite receptors with lanthanide containers: an approach for organized luminescent metallopolymers.","Chemical science","2018","9","2","325","335","10.1039/c7sc03710d","","x-ray","1.54184","CuKα","","0.07","0.0607","","","0.1574","0.1688","","","","","","1.022","","","","has coordinates","228726","2020-10-21","18:00:00",""
"1547881","8.4028","0.0011","11.9498","0.0009","17.1489","0.0017","90","","94.163","0.01","90","","1717.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br N2 Ni -","- C19 H19 Br N2 Ni -","- C76 H76 Br4 N8 Ni4 -","4","1","","Jia, Xue-Gong; Guo, Peng; Duan, Jicheng; Shu, Xing-Zhong","Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols.","Chemical science","2018","9","3","640","645","10.1039/c7sc03140h","","","0.71073","MoKα","","0.1312","0.0781","","","0.1586","0.1843","","","","","","1.052","","","","has coordinates","228868","2020-10-21","18:00:00",""
"1547882","8.7005","0.0008","10.2416","0.001","11.4433","0.0009","76.304","0.003","83.414","0.003","75.816","0.003","958.74","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0785","0.0481","","","0.0998","0.112","","","","","","1.049","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547883","5.9171","0.0004","24.525","0.002","13.126","0.001","90","","95.432","0.002","90","","1896.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.075","0.0502","","","0.1055","0.1143","","","","","","1.022","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547884","10.5469","0.0018","20.177","0.003","10.7298","0.0017","90","","114.01","0.004","90","","2085.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0895","0.0521","","","0.1411","0.1638","","","","","","1.02","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547885","23.476","0.003","10.1603","0.0016","18.561","0.003","90","","118.836","0.005","90","","3878.3","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C192 H168 N8 O32 -","8","1","","Liu, Kai; Xu, Guangyang; Sun, Jiangtao","Gold-catalyzed stereoselective dearomatization/metal-free aerobic oxidation: access to 3-substituted indolines/oxindoles.","Chemical science","2018","9","3","634","639","10.1039/c7sc04086e","","","0.71073","MoKα","","0.0744","0.0538","","","0.1263","0.1369","","","","","","1.035","","","","has coordinates","228874","2020-10-21","18:00:00",""
"1547942","10.5132","0.0001","9.6837","0.0001","10.8056","0.0001","90","","93.347","0.001","90","","1098.21","0.019","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0505","0.0499","","","0.1275","0.1285","","","","","","1.025","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547943","6.6941","0.0002","8.926","0.0004","18.2322","0.0006","90","","92.895","0.003","90","","1088.01","0.07","170","","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C48 H46 N2 O12 -","2","1","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0692","0.0686","","","0.1811","0.1827","","","","","","1.082","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1547944","12.3416","0.0003","17.221","0.0005","16.8272","0.0005","90","","95.88","0.003","90","","3557.55","0.17","293.2","0.1","293.2","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C152 H128 Cl8 N8 O32 -","8","2","","Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.","Chemical science","2018","9","3","688","692","10.1039/c7sc02757e","","x-ray","1.54184","CuKα","","0.0683","0.0623","","","0.169","0.1806","","","","","","1.017","","","","has coordinates","228871","2020-10-21","18:00:00",""
"1548021","11.91","0.003","12.221","0.003","15.587","0.004","69.947","0.003","81.802","0.003","66.513","0.003","1954.6","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","W2Co3-1D","","","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","- C60 H76 Co3 N36 O8 W2 -","1","0.5","","Zhang, Yuan-Zhu; Dolinar, Brian S.; Liu, Shihao; Brown, Andrew J.; Zhang, Xuan; Wang, Zhao-Xi; Dunbar, Kim R.","Enforcing Ising-like magnetic anisotropy <i>via</i> trigonal distortion in the design of a W(v)-Co(ii) cyanide single-chain magnet.","Chemical science","2018","9","1","119","124","10.1039/c7sc02925j","","","0.71073","MoKα","","0.0532","0.0394","","","0.0793","0.086","","","","","","1.03","","","","has coordinates","228671","2020-10-21","18:00:00",""
"1548053","8.2997","0.0003","33.2041","0.0004","12.4646","0.0011","90","","90","","90","","3435","0.3","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N -","- C26 H17 N -","- C208 H136 N8 -","8","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0368","0.0336","","","0.1049","0.1091","","","","","","0.929","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548054","7.379","0.006","22.716","0.016","9.381","0.007","90","","111.14","0.02","90","","1466.6","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","0.71073","MoKα","","0.1219","0.1217","","","0.3147","0.3149","","","","","","1.838","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548055","8.5137","0.0002","21.963","0.0006","9.8776","0.0003","90","","104.406","0.0017","90","","1788.9","0.09","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","1","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.0403","0.036","","","0.1242","0.1303","","","","","","1.12","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548056","7.3384","0.0002","18.5774","0.0006","13.3299","0.0004","90","","90.1024","0.0018","90","","1817.24","0.09","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H19 N -","- C27 H19 N -","- C108 H76 N4 -","4","2","","Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka","A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change.","Chemical science","2018","9","2","475","482","10.1039/c7sc03567e","","","1.54187","CuKα","","0.08","0.0628","","","0.1697","0.2075","","","","","","1.451","","","","has coordinates","228727","2020-10-21","18:00:00",""
"1548057","9.9639","0.0017","10.7932","0.0018","23.575","0.004","96.641","0.004","90.839","0.004","90.018","0.004","2518","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Perfluorooctanoic acid","pentadecafluorooctanoic acid","","- C8 H F15 O2 -","- C8 H F15 O2 -","- C64 H8 F120 O16 -","8","4","","Omorodion, Harrison; Palenzuela, Miguel; Ruether, Manuel; Twamley, Brendan; Platts, James A.; Baker, Robert J.","A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions","New Journal of Chemistry","2018","42","10","7956","","10.1039/C7NJ03026F","","","0.71073","MoKα","","0.1549","0.0971","","","0.25","0.2831","","","","","","1.045","","","","has coordinates","230199","2020-10-21","18:00:00",""
"1548064","11.0994","0.0004","8.5265","0.0003","21.7146","0.0008","90","","97.392","0.003","90","","2037.97","0.13","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Fe O3 -","- C27 H24 Fe O3 -","- C108 H96 Fe4 O12 -","4","1","","Wang, Yong; Dansette, Patrick M.; Pigeon, Pascal; Top, Siden; McGlinchey, Michael J.; Mansuy, Daniel; Jaouen, Gérard","A new generation of ferrociphenols leads to a great diversity of reactive metabolites, and exhibits remarkable antiproliferative properties.","Chemical science","2018","9","1","70","78","10.1039/c7sc04213b","","","1.54178","CuKα","","0.0488","0.045","","","0.1183","0.1217","","","","","","1.068","","","","has coordinates","228673","2020-10-21","18:00:00",""
"1548108","13.5923","0.0004","13.6702","0.0004","14.8894","0.0003","90","","90","","90","","2766.59","0.13","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","barium orthoborate","","- B2 Ba3 O6 -","- B2 Ba3 O6 -","- B32 Ba48 O96 -","16","2","","Bekker, Tatyana B.; Rashchenko, Sergey V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Davydov, Aleksey V.; Fedorov, Pavel P.","BaO-B2O3 system and its mysterious member Ba3B2O6","Journal of the American Ceramic Society","2018","101","1","450","","10.1111/jace.15194","","","0.71073","MoKα","","0.1047","0.0966","","","0.1873","0.1916","","","","","","1.234","","","","has coordinates","203307","2020-10-21","18:00:00",""
"1548110","17.7719","0.0016","8.1203","0.0007","19.0328","0.0019","90","","110.633","0.011","90","","2570.5","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Allyl-3-(allylsulfinyl)-1H-indole","","- C14 H15 N O S -","- C14 H15 N O S -","- C112 H120 N8 O8 S8 -","8","2","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.1032","0.0532","","","0.0889","0.1068","","","","","","1.037","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548111","8.2973","0.0005","9.132","0.0006","9.7066","0.0005","104.937","0.005","100.291","0.005","100.461","0.005","678.86","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-Allyl-3-(allylsulfinyl)-1-methyl-1H-indole","","- C15 H17 N O S -","- C15 H17 N O S -","- C30 H34 N2 O2 S2 -","2","1","","Šiaučiulis, Mindaugas; Sapmaz, Selma; Pulis, Alexander P.; Procter, David J.","Dual vicinal functionalisation of heterocycles <i>via</i> an interrupted Pummerer coupling/[3,3]-sigmatropic rearrangement cascade.","Chemical science","2018","9","3","754","759","10.1039/c7sc04723a","","x-ray","0.71073","MoKα","","0.0455","0.0366","","","0.089","0.0942","","","","","","1.053","","","","has coordinates","228873","2020-10-21","18:00:00",""
"1548112","3.7833","0.0003","7.6139","0.0007","20.1473","0.0018","90","","92.131","0.007","90","","579.96","0.09","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd Cl2 N4 O2 -","- C8 H8 Cd Cl2 N4 O2 -","- C16 H16 Cd2 Cl4 N8 O4 -","2","0.5","LQ5009","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0492","0.047","","","0.1074","0.108","","","","","","1.532","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548113","3.9043","0.0002","7.718","0.0005","20.6142","0.0014","90","","92.442","0.005","90","","620.61","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br2 Cd N4 O2 -","- C8 H8 Br2 Cd N4 O2 -","- C16 H16 Br4 Cd2 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0397","0.0384","","","0.0989","0.0993","","","","","","1.377","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548114","4.1497","0.0002","7.8783","0.0004","21.0091","0.0014","90","","92.551","0.004","90","","686.16","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd I2 N4 O2 -","- C8 H8 Cd I2 N4 O2 -","- C16 H16 Cd2 I4 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0275","0.0254","","","0.0574","0.0584","","","","","","1.187","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548115","3.884","0.0003","23.164","0.002","7.0359","0.0008","90","","93.712","0.009","90","","631.68","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Br2 Cd N4 O2 -","- C8 H8 Br2 Cd N4 O2 -","- C16 H16 Br4 Cd2 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.055","0.0445","","","0.0962","0.1012","","","","","","1.147","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548116","4.0953","0.0003","7.8089","0.0006","21.7078","0.0013","90","","92.307","0.006","90","","693.65","0.08","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd I2 N4 O2 -","- C8 H8 Cd I2 N4 O2 -","- C16 H16 Cd2 I4 N8 O4 -","2","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0556","0.0501","","","0.1437","0.1491","","","","","","1.171","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548117","18.259","0.0012","3.867","0.0002","24.2737","0.0018","90","","95.491","0.006","90","","1706.04","0.19","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Br2 Cd N4 O2 -","- C16 H12 Br2 Cd N4 O2 -","- C64 H48 Br8 Cd4 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.069","0.0551","","","0.1629","0.1769","","","","","","1.076","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548118","19.7099","0.0005","6.8535","0.0002","13.631","0.0004","90","","98.052","0.003","90","","1823.15","0.09","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H12 Cd I2 N4 O2 -","- C16 H12 Cd I2 N4 O2 -","- C64 H48 Cd4 I8 N16 O8 -","4","0.5","","Daković, Marijana; Soldin, Željka; Kukovec, Boris-Marko; Kodrin, Ivan; Aakeröy, Christer B.; Baus, Nea; Rinkovec, Tamara","Building inorganic supramolecular architectures using principles adopted from the organic solid state","IUCrJ","2018","5","1","","","10.1107/S2052252517015494","","","0.71073","MoKα","","0.0431","0.0382","","","0.0936","0.098","","","","","","1.087","","","","has coordinates","203329","2020-10-21","18:00:00",""
"1548131","14.6367","0.0007","11.0939","0.0006","14.9574","0.0007","90","","93.785","0.002","90","","2423.5","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Ir2 N2 O4 P4 -","- C44 H66 Ir2 N2 O4 P4 -","- C88 H132 Ir4 N4 O8 P8 -","2","0.5","","Cano, Israel; Martínez-Prieto, Luis M.; Vendier, Laure; van Leeuwen, Piet W. N. M.","An iridium‒SPO complex as bifunctional catalyst for the highly selective hydrogenation of aldehydes","Catalysis Science & Technology","2018","8","1","221","","10.1039/C7CY01953J","","","0.71073","MoKα","","0.0285","0.0243","","","0.0734","0.0856","","","","","","1.293","","","","has coordinates","227959","2020-10-21","18:00:00",""
"1548132","10.52378","0.00008","10.52378","0.00008","30.7376","0.0004","90","","90","","90","","3404.19","0.06","120","2","120","2","","","","","","","","3","P 43","P 4cw","78","","","","- C44 H42 Mn -","- C44 H42 Mn -","- C176 H168 Mn4 -","4","1","","Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes","Catalysis Science & Technology","2018","8","1","229","","10.1039/C7CY02086D","","x-ray","1.54184","CuKα","K-L~2,3~","0.0376","0.0372","","","0.0995","0.0999","","","","","","1.067","","","","has coordinates","227960","2020-10-21","18:00:00",""
"1548133","27.9963","0.0007","10.5409","0.0003","19.1609","0.0005","90","","100.453","0.002","90","","5560.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co(trenpy3)](ClO4)2","","","- C24 H27 Cl2 Co N7 O8 -","- C24 H27 Cl2 Co N7 O8 -","- C192 H216 Cl16 Co8 N56 O64 -","8","1","","Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.","Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex","Catalysis Science & Technology","2018","8","1","307","","10.1039/C7CY01524K","","","1.54178","CuKα","","0.0652","0.0482","","","0.1281","0.1423","","","","","","1.044","","","","has coordinates","227958","2020-10-21","18:00:00",""
"1548134","12.284","0.004","15.243","0.005","17.55","0.007","100.641","0.004","102.198","0.005","98.202","0.006","3099.8","1.9","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","- C88 H60 F12 N12 O12 Pd2 S8 -","1","0.5","","Wang, Chen; Tian, Li; Zhu, Wei; Wang, Shiqiang; Gao, Ning; Zhou, Kang; Yin, Xianpeng; Zhang, Wanlin; Zhao, Liang; Li, Guangtao","Molecular cage-bridged plasmonic structures with well-defined nanogaps as well as the capability of reversible and selective guest trapping.","Chemical science","2018","9","4","889","895","10.1039/c7sc03536e","","","0.71073","MoKα","","0.1099","0.0984","","","0.2755","0.2873","","","","","","1.138","","","","has coordinates,has disorder","228718","2020-10-21","18:00:00",""
"1548139","14.453","0.0006","24.1484","0.001","24.504","0.001","90","","90","","90","","8552.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ge O3 -","- C32 H38 Ge O3 -","- C384 H456 Ge12 O36 -","12","3","","Eibel, Anna; Radebner, Judith; Haas, Michael; Fast, David E.; Freißmuth, Hilde; Stadler, Eduard; Faschauner, Paul; Torvisco, Ana; Lamparth, Iris; Moszner, Norbert; Stueger, Harald; Gescheidt, Georg","From mono- to tetraacylgermanes: extending the scope of visible light photoinitiators","Polymer Chemistry","2018","9","1","38","","10.1039/C7PY01590A","","","0.71073","MoKα","","0.0629","0.0443","","","0.0962","0.1051","","","","","","1.025","","","","has coordinates","230955","2020-10-21","18:00:00",""
"1548141","10.207","0.0004","10.6944","0.0004","18.5996","0.0006","94.043","0.003","102.847","0.003","97.904","0.003","1949.89","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 Br10 N8 Sn -","- C16 H56 Br10 N8 Sn -","- C32 H112 Br20 N16 Sn2 -","2","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0651","0.0441","","0.0511","0.0479","0.0511","","","","","","0.9933","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548142","8.75618","0.00018","27.2439","0.0005","10.64297","0.00018","90","","97.3536","0.0017","90","","2518.02","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl5 N2 Sb -","- C18 H40 Cl5 N2 Sb -","- C72 H160 Cl20 N8 Sb4 -","4","1","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0418","0.0371","","0.0542","0.0529","0.0542","","","","","","0.9984","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548143","10.7464","0.0007","10.8924","0.0007","11.1796","0.0007","64.2658","0.0007","80.1825","0.0007","72.8331","0.0007","1124.94","0.12","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","- C16 H56 I10 N8 Sn -","1","0.5","","Zhou, Chenkun; Lin, Haoran; Tian, Yu; Yuan, Zhao; Clark, Ronald; Chen, Banghao; van de Burgt, Lambertus J.; Wang, Jamie C.; Zhou, Yan; Hanson, Kenneth; Meisner, Quinton J.; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Lambers, Eric; Djurovich, Peter; Ma, Biwu","Luminescent zero-dimensional organic metal halide hybrids with near-unity quantum efficiency.","Chemical science","2018","9","3","586","593","10.1039/c7sc04539e","","","0.71073","MoKα","","0.0178","0.0155","","","0.0341","0.0349","","","","","","1.078","","","","has coordinates","228870","2020-10-21","18:00:00",""
"1548144","13.1579","0.0002","37.8588","0.0007","30.9277","0.0005","90","","96.192","0.002","90","","15316.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C247.73 H123.18 N2 -","- C247.727 H123.18 N2 -","- C990.908 H492.72 N8 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1362","0.109","","","0.3079","0.3338","","","","","","1.085","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548145","17.0175","0.0008","28.9186","0.0013","22.7929","0.001","90","","100.484","0.001","90","","11029.6","0.9","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C160 H94 N2 -","- C160 H94 N2 -","- C640 H376 N8 -","4","2","","Yokoi, Hiroki; Hiroto, Satoru; Sakamaki, Daisuke; Seki, Shu; Shinokubo, Hiroshi","Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C<sub>60</sub>.","Chemical science","2018","9","4","819","824","10.1039/c7sc04453d","","","0.71073","MoKα","","0.1356","0.0969","","","0.2411","0.2627","","","","","","1.077","","","","has coordinates,has disorder","228716","2020-10-21","18:00:00",""
"1548157","20.4693","0.0001","20.4693","0.0001","19.1467","0.0003","90","","90","","90","","8022.32","0.14","173","0.1","173","0.1","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C30 H44 N6 O12 S2 Zn2 -","- C30 H44 N6 O12 S2 Zn2 -","- C240 H352 N48 O96 S16 Zn16 -","8","1","","Tan, Ai-Dong; Wan, Kai; Wang, Yi-Fang; Fu, Zhi-Yong; Liang, Zhen-Xing","N, S-containing MOF-derived dual-doped mesoporous carbon as a highly effective oxygen reduction reaction electrocatalyst","Catalysis Science & Technology","2018","8","1","335","","10.1039/C7CY02265D","","","0.71073","MoKα","","0.0388","0.0337","","","0.0741","0.0768","","","","","","1.028","","","","has coordinates","227961","2020-10-21","18:00:00",""
"1548236","12.7541","0.0005","13.5008","0.0006","13.6961","0.0006","94.892","0.004","105.455","0.004","113.791","0.004","2029.61","0.18","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 Cl3 O9 -","- C39 H53 Cl3 O9 -","- C78 H106 Cl6 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0995","0.0914","","","0.2714","0.2842","","","","","","1.04","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548237","10.6706","0.001","13.8828","0.0012","14.1078","0.0013","70.567","0.003","84.605","0.003","69.424","0.003","1844.5","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H54 O9 -","- C39 H54 O9 -","- C78 H108 O18 -","2","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","0.71073","MoKα","","0.0904","0.0509","","","0.1095","0.1273","","","","","","1.015","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548238","11.541","0.0002","16.4653","0.0003","32.9338","0.0005","90","","95.72","0.001","90","","6227.12","0.18","100.01","0.1","100.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H44 O6 -","- C34 H44 O6 -","- C272 H352 O48 -","8","4","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54184","CuKα","","0.0732","0.0714","","","0.1899","0.1914","","","","","","1.061","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548239","6.3828","0.0001","14.8993","0.0001","32.605","0.0002","90","","90","","90","","3100.71","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54178","CuKα","","0.0283","0.0278","","","0.0723","0.0727","","","","","","1.044","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548240","12.4836","0.0002","12.5791","0.0002","20.1204","0.0003","90","","90","","90","","3159.56","0.09","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O7 -","- C34 H46 O7 -","- C136 H184 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0464","0.0456","","","0.1213","0.1222","","","","","","1.043","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548241","6.8237","0.0004","9.6779","0.0006","23.209","0.0013","90","","90","","90","","1532.7","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide","","- C16 H23 N2 O2 -","- C16 H23 N2 O2 -","- C64 H92 N8 O8 -","4","1","","Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo","Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation.","Chemical science","2018","9","6","1473","1480","10.1039/c7sc04691j","","","0.71073","MoKα","","0.0349","0.0338","","","0.0981","0.0995","","","","","","1.084","","","","has coordinates","228732","2020-10-21","18:00:00",""
"1548242","10.9218","0.0004","23.5976","0.0005","34.2826","0.0015","90","","90","","90","","8835.6","0.5","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C136 H144 Cu8 N24 O60 -","- C136 H144 Cu8 N24 O60 -","- C272 H288 Cu16 N48 O120 -","2","0.0625","","Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I","Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","958","970","10.1039/c7dt04081d","","","0.71073","MoKα","","0.1328","0.0951","","","0.2491","0.2743","","","","","","1.089","","","","has coordinates,has disorder","230074","2020-10-21","18:00:00",""
"1548243","11.1575","0.001","23.7123","0.0015","33.583","0.003","90","","90","","90","","8885.1","1.3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C136 H144 Cu8 N24 O54.4 -","- C136 H144 Cu8 N24 O54.4 -","- C272 H288 Cu16 N48 O108.8 -","2","0.0625","","Fernández de Luis, Roberto; Larrea, Edurne S.; Orive, Joseba; Fidalgo-Marijuan, Arkaitz; Lezama, Luis; Arriortua, María I","Open and closed forms of the interpenetrated [Cu<sub>2</sub>(Tae)(Bpa)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>·nH<sub>2</sub>O: magnetic properties and high pressure CO<sub>2</sub>/CH<sub>4</sub> gas sorption.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","958","970","10.1039/c7dt04081d","","","0.71073","MoKα","","0.1236","0.1061","","","0.2744","0.2888","","","","","","1.149","","","","has coordinates,has disorder","230074","2020-10-21","18:00:00",""
"1548244","14.9948","0.0005","15.5788","0.0005","35.0105","0.0012","90","","94.405","0.004","90","","8154.3","0.5","293.33","0.1","293.33","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C44 H28 N2 O12 Tb -","- C44 H28 N2 O12 Tb -","- C352 H224 N16 O96 Tb8 -","8","1","","Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi","Novel double layer lanthanide metal-organic networks for sensing applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","465","474","10.1039/c7dt03604c","","x-ray","0.71","MoKα","","0.094","0.0587","","","0.138","0.1677","","","","","","1.01","","","","has coordinates","229562","2020-10-21","18:00:00",""
"1548245","15.0374","0.0006","15.5766","0.0007","35.0554","0.0017","90","","94.951","0.004","90","","8180.4","0.6","293","","293","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C44 H28 Eu N2 O12 -","- C44 H28 Eu N2 O12 -","- C352 H224 Eu8 N16 O96 -","8","1","","Wang, Jun; Zhang, Qiang-Sheng; Dou, Wei; Kirillov, Alexander M.; Liu, Wei-Sheng; Xu, Cong; Xu, Cai-Ling; Fang, Ran; Yang, Li-Zi","Novel double layer lanthanide metal-organic networks for sensing applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","465","474","10.1039/c7dt03604c","","","0.71073","MoKα","","0.1148","0.0659","","","0.1286","0.1671","","","","","","1.062","","","","has coordinates","229562","2020-10-21","18:00:00",""
"1548292","12.383","0.004","18.49","0.007","19.983","0.007","69.381","0.005","79.742","0.005","88.826","0.005","4209","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C164.05 H143.07 Cu2 F36 N29.98 O2.48 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","- C164.048 H143.076 Cu2 F36 N29.976 O2.478 P6 Ru2 -","1","0.5","","Hayes, Dugan; Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L.; Chen, Lin X.","Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.","Chemical science","2018","9","4","860","875","10.1039/c7sc04055e","","","0.71073","MoKα","","0.0773","0.0509","","","0.1236","0.1361","","","","","","1.018","","","","has coordinates,has disorder","228719","2020-10-21","18:00:00",""
"1548293","8.281","0.002","27.653","0.007","23.173","0.006","90","","91.817","0.004","90","","5304","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 B3 F20 N4 O2 -","- C53 H45 B3 F20 N4 O2 -","- C212 H180 B12 F80 N16 O8 -","4","1","","Zheng, Junhao; Li, Zhen Hua; Wang, Huadong","Addition of dihydrogen to a borylborenium center.","Chemical science","2018","9","6","1433","1438","10.1039/c7sc04987k","","","0.71073","MoKα","","0.1993","0.0845","","","0.2217","0.3035","","","","","","1.005","","","","has coordinates","228729","2020-10-21","18:00:00",""
"1548345","16.5942","0.0007","8.7199","0.0004","21.4742","0.001","90","","93.516","0.001","90","","3101.5","0.2","123","0.2","123","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O3 S -","- C39 H39 N2 O3 S -","- C156 H156 N8 O12 S4 -","4","1","","Yamamoto, Y.; Murayama, T.; Jiang, J.; Yasui, T.; Shibuya, M.","The vinylogous Catellani reaction: a combined computational and experimental study.","Chemical science","2018","9","5","1191","1199","10.1039/c7sc04265e","","","0.71073","MoKα","","0.0455","0.0371","","","0.094","0.0992","","","","","","1.038","","","","has coordinates,has disorder","228692","2020-10-21","18:00:00",""
"1548346","47.6161","0.0017","31.7486","0.0011","56.289","0.002","90","","111.305","0.0016","90","","79279","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C204 H158 B8 F32 N40 O7 Zn4 -","- C204 H144 B8.02 F32.075 N40 O7 Zn4 -","- C1632 H1152 B64.16 F256.6 N320 O56 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.3793","0.0985","","","0.1935","0.2895","","","","","","0.959","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548347","47.061","0.002","32.0425","0.0014","55.568","0.003","90","","110.406","0.001","90","","78535","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C206 H163 B3.5 F14 I4.5 N41 O8 Zn4 -","- C206 H147 B3.51 F14.04 I4.5 N41 O8 Zn4 -","- C1648 H1176 B28.08 F112.32 I36 N328 O64 Zn32 -","8","1","","Yang, Linlin; Jing, Xu; An, Bowen; He, Cheng; Yang, Yang; Duan, Chunying","Binding of anions in triply interlocked coordination catenanes and dynamic allostery for dehalogenation reactions.","Chemical science","2018","9","4","1050","1057","10.1039/c7sc04070a","","","0.71073","MoKα","","0.2945","0.0885","","","0.219","0.2659","","","","","","0.967","","","","has coordinates,has disorder","228715","2020-10-21","18:00:00",""
"1548362","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Landge, Vinod G.; Pitchaimani, Jayaraman; Midya, Siba P.; Subaramanian, Murugan; Madhu, Vedichi; Balaraman, Ekambaram","Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes","Catalysis Science & Technology","2018","8","2","428","","10.1039/C7CY01994G","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227968","2020-10-21","18:00:00",""
"1548363","18.702","0.004","36.975","0.007","28.652","0.006","90","","90","","90","","19813","7","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C100 H100 Ag15 Cl4 N4 O10 P12 -","- C104 H90.6667 Ag10 Cl2.66667 N2.66667 P8 -","- C624 H544 Ag60 Cl16 N16 P48 -","6","0.75","","Shen, Xue-Tao; Ma, Xue-Li; Ni, Qing-Ling; Ma, Meng-Xia; Gui, Liu-Cheng; Hou, Cheng; Hou, Ruo-Bing; Wang, Xiu-Jian","[Ag<sub>15</sub>(N-triphos)<sub>4</sub>(Cl<sub>4</sub>)](NO<sub>3</sub>)<sub>3</sub>: a stable Ag-P superatom with eight electrons (N-triphos = tris((diphenylphosphino)methyl)amine).","Nanoscale","2018","10","2","515","519","10.1039/c7nr07308a","","","0.72","","","0.1828","0.1632","","","0.4575","0.4802","","","","","","3.608","","","","has coordinates","230150","2020-10-21","18:00:00",""
"1548380","12.842","0.006","21.083","0.005","25.145","0.005","90","","90","","90","","6808","4","173.15","0.1","173.15","0.1","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C58 H48 Ag5 F6 N17 O6 S2 -","- C58 H48 Ag5 F6 N17 O6 S2 -","- C232 H192 Ag20 F24 N68 O24 S8 -","4","0.25","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.1871","0.1818","","","0.3393","0.3422","","","","","","1.098","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548381","14.3867","0.0003","15.4794","0.0003","18.9913","0.0006","101.197","0.002","93.2","0.002","94.368","0.002","4125.97","0.18","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H55 Ag5 F6 N17 O6 S2 -","- C59 H55 Ag5 F6 N17 O6 S2 -","- C118 H110 Ag10 F12 N34 O12 S4 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1007","0.0884","","","0.2452","0.2632","","","","","","1.066","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548382","32.1129","0.0019","12.1233","0.0003","24.0913","0.0016","90","","130.309","0.01","90","","7152.2","1.2","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H58 Ag4 F9 N17 O10 S2 -","- C64 H58 Ag4 F9 N17 O10 S2 -","- C256 H232 Ag16 F36 N68 O40 S8 -","4","0.5","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.1026","0.0965","","","0.248","0.2531","","","","","","1.136","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548383","14.8347","0.0003","15.7643","0.0003","18.6915","0.0004","96.459","0.002","93.928","0.002","95.369","0.002","4310.55","0.15","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C73.5 H68 Ag5 F9 N18 O12.5 S3 -","- C147 H136 Ag10 F18 N36 O25 S6 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.0573","0.0534","","","0.1529","0.1578","","","","","","1.021","","","","has coordinates","228733","2020-10-21","18:00:00",""
"1548384","13.189","0.003","13.561","0.003","28.427","0.006","103.51","0.03","90.23","0.03","118.57","0.03","4302","2","173.15","0.1","173.15","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C63 H55 Ag5 Cl4.5 F12 N17 O13.25 S4 -","- C126 H110 Ag10 Cl9 F24 N34 O26.5 S8 -","2","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0868","0.0795","","","0.1949","0.2003","","","","","","1.14","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548385","14.3943","0.0004","31.0527","0.0014","22.6971","0.0008","90","","125.685","0.002","90","","8240.3","0.6","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H57 Ag5 F9 N17 O9 S3 -","- C67 H57 Ag5 F9 N17 O9 S3 -","- C268 H228 Ag20 F36 N68 O36 S12 -","4","1","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","1.54178","CuKα","","0.2674","0.213","","","0.5017","0.5615","","","","","","1.092","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548386","12.278","0.003","25.145","0.005","12.408","0.003","90","0.03","117.31","0.03","90","0.03","3403.7","1.6","173.15","","173.15","","","","","","","","","7","P 1","P 1","1","","","","- C58 H53 Ag5 F6 N17 O6 S2 -","- C58 H53 Ag5 F6 N17 O6 S2 -","- C116 H106 Ag10 F12 N34 O12 S4 -","2","2","","He, Xin; Xue, Yang; Li, Cui-Cui; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Synthesis of stable polymetalated aromatic complexes through metal-macrocycle capsule-triggered cyclization.","Chemical science","2018","9","6","1481","1487","10.1039/c7sc04503d","","","0.71073","MoKα","","0.0954","0.0889","","","0.218","0.226","","","","","","1.027","","","","has coordinates,has disorder","228733","2020-10-21","18:00:00",""
"1548387","20.6668","0.001","20.6668","0.001","16.8568","0.0009","90","","90","","90","","7199.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0353","0.0296","","","0.0754","0.0784","","","","","","1.052","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548388","17.794","0.004","19.121","0.004","19.042","0.004","90","","116.941","0.015","90","","5776","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Co3(dpa)4(MeCN)2][As2(tart)2] acetonitrile solvate","","","- C56 H48 As2 Co3 N16 O12 -","- C56 H48 As2 Co3 N16 O12 -","- C224 H192 As8 Co12 N64 O48 -","4","0.5","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0324","0.0262","","","0.0662","0.0693","","","","","","1.061","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548389","11.7226","0.0009","21.8073","0.0017","12.0149","0.0009","90","","112.115","0.003","90","","2845.5","0.4","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 Co3 F12 N15 O P2 -","- C50 H51 Co3 F12 N15 O P2 -","- C100 H102 Co6 F24 N30 O2 P4 -","2","1","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0327","0.0303","","","0.0807","0.0821","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548390","20.6481","0.001","20.6481","0.001","16.8896","0.0009","90","","90","","90","","7200.8","0.6","120","2","120","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","[Delta-Co3(dpa)4(MeCN)2[As2(Lambda-tart)2]2[TBA]2","","","- C92 H118 As4 Co3 N16 O24 -","- C92 H118 As4 Co3 N16 O24 -","- C184 H236 As8 Co6 N32 O48 -","2","0.25","","Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.","Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.","Chemical science","2018","9","5","1136","1143","10.1039/c7sc04131d","","","0.71073","MoKα","","0.0223","0.0198","","","0.0502","0.0512","","","","","","1.07","","","","has coordinates","228691","2020-10-21","18:00:00",""
"1548391","15.3461","0.0011","9.6856","0.0004","20.5438","0.0011","90","","105.618","0.006","90","","2940.8","0.3","106.1","","106.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl2 N2 O Ti -","- C14 H14 Cl2 N2 O Ti -","- C112 H112 Cl16 N16 O8 Ti8 -","8","2","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0986","0.087","","","0.1932","0.1983","","","","","","1.204","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548392","14.5895","0.0005","10.0182","0.0004","13.9424","0.0005","90","","101.75","0.003","90","","1995.13","0.13","107.1","","107.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N2 O Ti -","- C18 H24 Cl2 N2 O Ti -","- C72 H96 Cl8 N8 O4 Ti4 -","4","1","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0393","0.0318","","","0.0732","0.0777","","","","","","1.048","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548393","18.8611","0.001","19.4952","0.0012","19.5123","0.0011","90","","105.765","0.005","90","","6904.8","0.7","106.1","","106.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H47 Cl2 N3 Ti -","- C35.5 H47 Cl2 N3 Ti -","- C284 H376 Cl16 N24 Ti8 -","8","2","","Zhang, Zhi-Qian; Qu, Jun-Teng; Zhang, Shu; Miao, Qiu-Ping; Wu, Yi-Xian","Ethylene/propylene copolymerization catalyzed by half-titanocenes containing monodentate anionic nitrogen ligands: effect of ligands on catalytic behaviour and structure of copolymers","Polymer Chemistry","2018","9","1","48","","10.1039/C7PY01807J","","","0.7107","MoKα","","0.0486","0.0369","","","0.0832","0.0891","","","","","","1.021","","","","has coordinates","230954","2020-10-21","18:00:00",""
"1548396","39.7584","0.0002","39.7584","0.0002","39.7584","0.0002","90","","90","","90","","62847.3","0.5","293","2","293","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H30 N4 Ni2 O15 S -","- C28 H30 N4 Ni2 O15 S -","- C1344 H1440 N192 Ni96 O720 S48 -","48","1","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.09","0.0721","","","0.1988","0.2155","","","","","","1.022","","","","has coordinates","228714","2020-10-21","18:00:00",""
"1548397","46.6983","0.0003","46.6983","0.0003","46.6983","0.0003","90","","90","","90","","101836","1.1","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C36 H20 Co2 N6 O15 -","- C36 H21 Co2 N6 O15 -","- C1728 H1008 Co96 N288 O720 -","48","0.25","","Feng, Rui; Jia, Yan-Yuan; Li, Zhao-Yang; Chang, Ze; Bu, Xian-He","Enhancing the stability and porosity of penetrated metal-organic frameworks through the insertion of coordination sites.","Chemical science","2018","9","4","950","955","10.1039/c7sc04192f","","","1.54178","CuKα","","0.2094","0.1495","","","0.3603","0.444","","","","","","1.059","","","","has coordinates,has disorder","228714","2020-10-21","18:00:00",""
"1548407","13.932","0.003","15.014","0.003","14.827","0.003","90","","107.69","0.03","90","","2954.8","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0769","0.0399","","","0.0653","0.0753","","","","","","1.004","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548408","13.937","0.003","15.046","0.003","14.786","0.003","90","","107.46","0.03","90","","2957.7","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C44 H44 B4 Cl6 N24 O4 Y2 -","- C88 H88 B8 Cl12 N48 O8 Y4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0969","0.0478","","","0.1054","0.1203","","","","","","1.029","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548409","14.15","0.003","15.225","0.003","14.969","0.003","90","","107.75","0.03","90","","3071.3","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.2825","0.0933","","","0.0989","0.1463","","","","","","0.814","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548410","14.003","0.003","15.079","0.003","14.825","0.003","90","","107.59","0.03","90","","2984","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C44 H44 B4 Cl6 N24 O4 Tb2 -","- C88 H88 B8 Cl12 N48 O8 Tb4 -","2","0.5","","Zhang, Peng; Perfetti, Mauro; Kern, Michal; Hallmen, Philipp P.; Ungur, Liviu; Lenz, Samuel; Ringenberg, Mark R.; Frey, Wolfgang; Stoll, Hermann; Rauhut, Guntram; van Slageren, Joris","Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes.","Chemical science","2018","9","5","1221","1230","10.1039/c7sc04873d","","","0.71073","MoKα","","0.0683","0.0405","","","0.096","0.1078","","","","","","1.045","","","","has coordinates","228694","2020-10-21","18:00:00",""
"1548411","9.9279","0.0004","10.1181","0.0004","11.2898","0.0004","69.506","0.002","73.657","0.002","68.894","0.002","975.26","0.07","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 B F2 N3 O3 -","- C20 H22 B F2 N3 O3 -","- C40 H44 B2 F4 N6 O6 -","2","1","","Greening, Sarah M.; Robertson, Katherine N.; Thompson, Alison","Synthesis and characterization of pyrrolyldipyrrin F-BODIPYs.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","1","89","98","10.1039/c7pp00341b","","","0.71073","MoKα","","0.0679","0.0412","","","0.0931","0.1039","","","","","","1.048","","","","has coordinates","230887","2020-10-21","18:00:00",""
"1548427","17.6","0.002","19.466","0.002","20.232","0.003","90","","96.305","0.002","90","","6889.6","1.5","93","2","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C304 H384 B16 N16 O16 -","8","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0994","0.0749","","","0.1645","0.1804","","","","","","1.128","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548428","11.335","0.004","10.991","0.004","35.202","0.013","90","","95.263","0.005","90","","4367","3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1014","0.0829","","","0.1914","0.2045","","","","","","1.151","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548429","8.723","0.0016","23.773","0.004","13.264","0.003","90","","99.499","0.003","90","","2712.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 B2 N O2 -","- C29 H39 B2 N O2 -","- C116 H156 B8 N4 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0811","0.0652","","","0.157","0.1711","","","","","","1.129","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548430","10.134","0.003","18.98","0.006","13.58","0.004","90","","96.976","0.006","90","","2592.7","1.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 B2 N2 O2 -","- C28 H38 B2 N2 O2 -","- C112 H152 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0829","0.0632","","","0.1424","0.156","","","","","","1.105","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548431","8.4242","0.0016","15.698","0.003","28.081","0.005","89.956","0.007","87.717","0.006","89.896","0.006","3710.6","1.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 B2 N2 O4 -","- C40 H50 B2 N2 O4 -","- C160 H200 B8 N8 O16 -","4","2","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1958","0.0962","","","0.1939","0.2616","","","","","","1.061","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548432","10.951","0.002","14.21","0.003","16.118","0.003","104.201","0.003","92.6541","0.0011","111.94","0.003","2228.7","0.8","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.102","0.059","","","0.1245","0.1501","","","","","","0.986","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548433","10.6242","0.0017","20.635","0.004","22.708","0.004","90","","100.578","0.003","90","","4893.7","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 B2 N3 O2 -","- C54 H69 B2 N3 O2 -","- C216 H276 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1416","0.0985","","","0.2623","0.3028","","","","","","1.115","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548434","10.981","0.002","10.43","0.002","28.55","0.006","90","","94.578","0.004","90","","3259.5","1.1","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1068","0.0762","","","0.1771","0.1986","","","","","","1.065","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548435","15.319","0.002","13.7912","0.0018","17.481","0.003","90","","112.051","0.002","90","","3423","0.9","93.15","","93","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H47 B2 N3 O2 -","- C37 H47 B2 N3 O2 -","- C148 H188 B8 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0847","0.0603","","","0.1402","0.1588","","","","","","1.032","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548436","8.565","0.003","33.036","0.012","11.991","0.005","90","","90.444","0.004","90","","3393","2","93.15","","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 B2 N2 O2 -","- C38 H48 B2 N2 O2 -","- C152 H192 B8 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1455","0.0904","","","0.1686","0.1963","","","","","","1.101","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548437","14.692","0.007","11.21","0.005","27.115","0.012","90","","105.567","0.007","90","","4302","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 B2 F3 N3 O2 -","- C48 H56 B2 F3 N3 O2 -","- C192 H224 B8 F12 N12 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1242","0.0985","","","0.2047","0.2199","","","","","","1.198","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548438","11.4491","0.0018","12.8149","0.0017","15.929","0.002","74.652","0.008","86.76","0.008","65.452","0.005","2046.2","0.5","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H62 B2 N2 O4 -","- C45 H62 B2 N2 O4 -","- C90 H124 B4 N4 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1155","0.075","","","0.2066","0.2377","","","","","","0.968","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548439","8.034","0.003","10.856","0.004","26.173","0.01","97.069","0.005","97.132","0.008","102.212","0.009","2187.4","1.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H59 B2 N3 O4 -","- C49 H59 B2 N3 O4 -","- C98 H118 B4 N6 O8 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1616","0.0897","","","0.1617","0.203","","","","","","1.06","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548440","11.821","0.003","12.93","0.003","16.755","0.004","101.05","0.003","95.8819","0.0019","111.862","0.003","2289.8","1","93.15","","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H63 B2 N3 O2 -","- C53 H63 B2 N3 O2 -","- C106 H126 B4 N6 O4 -","2","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1247","0.0652","","","0.1318","0.1605","","","","","","0.989","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548441","16.004","0.004","21.403","0.005","32.93","0.008","90","","90","","90","","11280","5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C468 H564 B24 F36 N24 O24 -","12","3","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0961","0.0893","","","0.2177","0.2235","","","","","","1.143","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548442","14.252","0.003","17.527","0.003","14.877","0.003","90","","93.855","0.003","90","","3707.8","1.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C156 H188 B8 F12 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1162","0.0767","","","0.1719","0.1975","","","","","","1.101","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548443","9.894","0.003","12.714","0.004","16.323","0.004","101.384","0.005","91.511","0.004","100.757","0.004","1973.3","1","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","- C89 H112 B4 N4 O4 -","1","0.5","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1217","0.0659","","","0.135","0.1656","","","","","","0.992","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548444","10.777","0.005","8.468","0.004","38.298","0.017","90","","95.088","0.007","90","","3481","3","93.15","","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 B2 Cl N2 O2 -","- C38 H47 B2 Cl N2 O2 -","- C152 H188 B8 Cl4 N8 O8 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.1323","0.0983","","","0.1784","0.1962","","","","","","1.163","","","","has coordinates","228695","2020-10-21","18:00:00",""
"1548445","19.208","0.003","13.253","0.002","16.091","0.003","90","","90","","90","","4096.2","1.2","93.15","","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H64 B2 N2 O3 -","- C45 H64 B2 N2 O3 -","- C180 H256 B8 N8 O12 -","4","1","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0952","0.07","","","0.151","0.1669","","","","","","1.025","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548455","10.3192","0.0003","11.0867","0.0004","17.4057","0.0006","90","","90","","90","","1991.31","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.095","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548456","6.1094","0.0003","14.2823","0.0006","19.8409","0.0008","90","","90","","90","","1731.24","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0303","0.0285","","","0.0687","0.0698","","","","","","1.091","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548457","7.9717","0.0003","9.2791","0.0004","14.2492","0.0006","95.3798","0.0016","105.336","0.0017","98.2795","0.0016","996.24","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C54 H42 N2 O4 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0387","0.0321","","","0.0768","0.0805","","","","","","1.038","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548458","9.495","0.0003","8.8357","0.0003","12.0617","0.0004","90","","90.258","0.002","90","","1011.91","0.06","97","2","97","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0418","0.0337","","","0.0753","0.0786","","","","","","1.016","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548459","23.2043","0.001","30.9754","0.0012","14.803","0.0006","90","","90","","90","","10639.8","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C106 H66 B4 F40 O2 P2 -","- C106 H66 B4 F40 O2 P2 -","- C424 H264 B16 F160 O8 P8 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.1371","0.1081","","","0.1951","0.2058","","","","","","1.161","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548460","11.163","0.0005","16.2067","0.0008","24.8378","0.0011","76.432","0.001","87.505","0.002","76.034","0.002","4238.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H62 B4 F40 O2 P2 -","- C88 H62 B4 F40 O2 P2 -","- C176 H124 B8 F80 O4 P4 -","2","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.0589","0.039","","","0.0786","0.086","","","","","","1.024","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548461","17.6792","0.0014","8.532","0.0007","19.5972","0.0015","90","","99.052","0.004","90","","2919.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 B F10 P -","- C31 H32 B F10 P -","- C124 H128 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","1.54178","CuKα","","0.0634","0.045","","","0.0939","0.1002","","","","","","1.035","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548462","13.2212","0.0008","16.1944","0.0012","19.5088","0.0013","90","","94.223","0.002","90","","4165.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F10 P -","- C40 H34 B F10 P -","- C160 H136 B4 F40 P4 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1101","0.0607","","","0.1257","0.1436","","","","","","1.02","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548463","13.2091","0.0005","14.4202","0.0006","17.4143","0.0007","102.465","0.002","96.491","0.002","91.561","0.002","3213.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B F10 P -","- C34 H38 B F10 P -","- C136 H152 B4 F40 P4 -","4","2","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1963","0.1255","","","0.2056","0.2457","","","","","","1.206","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548464","12.2916","0.0001","38.2278","0.0004","34.996","0.0004","90","","90.268","0.003","90","","16443.8","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C141 H111 B6 F60 O3 P3 -","- C141 H111 B6 F60 O3 P3 -","- C564 H444 B24 F240 O12 P12 -","4","1","","Wang, Long; Dong, Shunxi; Daniliuc, Constantin G.; Liu, Lei; Grimme, Stefan; Knitsch, Robert; Eckert, Hellmut; Hansen, Michael Ryan; Kehr, Gerald; Erker, Gerhard","Formation of macrocyclic ring systems by carbonylation of trifunctional P/B/B frustrated Lewis pairs.","Chemical science","2018","9","6","1544","1550","10.1039/c7sc04394e","","","0.71073","MoKα","","0.1379","0.0834","","","0.1772","0.201","","","","","","1.049","","","","has coordinates","228728","2020-10-21","18:00:00",""
"1548465","38.4015","0.0012","38.4015","0.0012","38.4015","0.0012","90","","90","","90","","56630","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C144 H72 Mn3 N12 O70 Zr12 -","- C144 H72 Mn3 N12 O70 Zr12 -","- C576 H288 Mn12 N48 O280 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.1566","0.1445","","","0.4146","0.4351","","","","","","2.027","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548466","38.672","0.001","38.672","0.001","38.672","0.001","90","","90","","90","","57835","3","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","PCN224Mn","","- C144 H72 Mn3 N12 O52 Zr12 -","- C144 H72 Mn3 N12 O52 Zr12 -","- C576 H288 Mn12 N48 O208 Zr48 -","4","0.0416667","","Gallagher, Audrey T.; Lee, Jung Yoon; Kathiresan, Venkatesan; Anderson, John S.; Hoffman, Brian M.; Harris, T. David","A structurally-characterized peroxomanganese(iv) porphyrin from reversible O<sub>2</sub> binding within a metal-organic framework.","Chemical science","2018","9","6","1596","1603","10.1039/c7sc03739b","","","1.54178","CuKα","","0.0949","0.0844","","","0.2432","0.2639","","","","","","1.034","","","","has coordinates,has disorder","228740","2020-10-21","18:00:00",""
"1548488","12.5175","0.0011","13.082","0.0012","13.0989","0.0014","90","","90","","90","","2145","0.4","293","","293","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0358","0.0293","","0.062","0.0564","0.062","","","","","","0.9936","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548489","11.9968","0.0011","12.5527","0.0011","12.8642","0.0006","90","","90","","90","","1937.2","0.3","293","","293","","","","1400","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0566","0.0458","","0.0689","0.068","0.0689","","","","","","1.001","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548490","11.9924","0.0012","12.5546","0.0011","12.8611","0.0007","90","","90","","90","","1936.4","0.3","293","","293","","","","1600","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.055","0.0441","","0.0702","0.0694","0.0702","","","","","","0.9938","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548491","12.3181","0.0007","12.8429","0.0007","13.038","0.0004","90","","90","","90","","2062.61","0.17","293","","293","","","","580","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.0327","0.0291","","0.0706","0.066","0.0706","","","","","","1.0411","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548492","12.2089","0.0009","12.7469","0.0008","12.9686","0.0005","90","","90","","90","","2018.2","0.2","293","","293","","","","900","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H30 Cl4 N4 Ni O4 -","- C14 H30 Cl4 N4 Ni O4 -","- C56 H120 Cl16 N16 Ni4 O16 -","4","1","","Craig, Gavin A.; Sarkar, Arup; Woodall, Christopher H.; Hay, Moya A.; Marriott, Katie E. R.; Kamenev, Konstantin V.; Moggach, Stephen A.; Brechin, Euan K.; Parsons, Simon; Rajaraman, Gopalan; Murrie, Mark","Probing the origin of the giant magnetic anisotropy in trigonal bipyramidal Ni(ii) under high pressure.","Chemical science","2018","9","6","1551","1559","10.1039/c7sc04460g","","","0.71073","MoKα","","0.037","0.0306","","0.0522","0.0517","0.0522","","","","","","0.9999","","","","has coordinates","228739","2020-10-21","18:00:00",""
"1548493","9.0035","0.0013","9.0035","0.0013","14.39","0.002","90","","90","","90","","1166.5","0.3","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br Cl0 O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.0601","0.0588","","","0.1522","0.1537","","","","","","1.053","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548494","8.2193","0.0007","14.718","0.0012","10.7344","0.0008","90","","90","","90","","1298.56","0.18","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C4 H4 Br4 O4 Pb3 -","- C4 H4 Br4 O4 Pb3 -","- C16 H16 Br16 O16 Pb12 -","4","0.5","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.088","0.0851","","","0.2209","0.2268","","","","","","1.077","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548495","8.9917","0.0008","8.9917","0.0008","14.354","0.003","90","","90","","90","","1160.5","0.3","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C3 H4 Br O2 Pb -","- C3 H4 Br O2 Pb -","- C24 H32 Br8 O16 Pb8 -","8","1","","Peng, Chengdong; Zhuang, Zewen; Yang, Huimin; Zhang, Guiyang; Fei, Honghan","Ultrastable, cationic three-dimensional lead bromide frameworks that intrinsically emit broadband white-light.","Chemical science","2018","9","6","1627","1633","10.1039/c7sc04118g","","","0.71073","MoKα","","0.068","0.0679","","","0.2263","0.2265","","","","","","1.242","","","","has coordinates","228731","2020-10-21","18:00:00",""
"1548531","16.9858","0.001","18.4496","0.001","18.8816","0.0011","90","","90","","90","","5917.1","0.6","100","2","100.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H46 Cl4 Eu N8 O Zn -","- C19 H46 Cl4 Eu N8 O Zn -","- C152 H368 Cl32 Eu8 N64 O8 Zn8 -","8","1","","Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J.","First use of a divalent lanthanide for visible-light-promoted photoredox catalysis.","Chemical science","2018","9","5","1273","1278","10.1039/c7sc02479g","","","0.71073","MoKα","","0.0646","0.0289","","","0.0526","0.0625","","","","","","1.047","","","","has coordinates,has disorder","228690","2020-10-21","18:00:00",""
"1548532","22.851","0.003","5.7145","0.0006","16.97","0.002","90","","98.174","0.003","90","","2193.5","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.059","0.0474","","","0.1199","0.1298","","","","","","1.048","","","","has coordinates","228737","2020-10-21","18:00:00",""
"1548533","15.0937","0.0012","17.6924","0.0014","9.6626","0.0008","90","","90","","90","","2580.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H41 O2 W0.5 -","- C27 H41 O2 W0.5 -","- C108 H164 O8 W2 -","4","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0311","0.0234","","","0.0487","0.0511","","","","","","1.06","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548534","13.4644","0.0006","13.7709","0.0006","18.7517","0.0008","106.468","0.002","110.976","0.002","96.554","0.002","3021.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H87 O4 P W -","- C68 H87 O4 P W -","- C136 H174 O8 P2 W2 -","2","1","","Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.","Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.","Chemical science","2018","9","6","1540","1543","10.1039/c7sc04506a","","","0.71073","MoKα","","0.0337","0.0257","","","0.0588","0.0616","","","","","","1.049","","","","has coordinates,has disorder","228737","2020-10-21","18:00:00",""
"1548543","6.746","0.003","7.246","0.003","7.434","0.003","77.801","0.007","83.65","0.008","88.409","0.007","353","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","1","0.5","","Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.","Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.","Chemical science","2018","9","6","1510","1520","10.1039/c7sc04353h","","","0.71073","MoKα","","0.079","0.0624","","","0.1933","0.2064","","","","","","1.077","","","","has coordinates,has disorder","228734","2020-10-21","18:00:00",""
"1548544","7.0719","0.0014","11.897","0.002","15.148","0.003","76.92","0.03","86.12","0.03","85.2","0.03","1235.5","0.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 Al N2 -","- C24 H31 Al N2 -","- C48 H62 Al2 N4 -","2","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0737","0.0478","","","0.1236","0.1336","","","","","","0.951","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548545","8.6985","0.0017","11.354","0.002","28.622","0.006","90","","94.73","0.03","90","","2817.2","1","153","2","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 Al N2 -","- C30 H43 Al N2 -","- C120 H172 Al4 N8 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0564","0.0509","","","0.1359","0.1411","","","","","","1.078","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548546","15.263","0.003","11.695","0.002","25.821","0.005","90","","106.57","0.03","90","","4417.7","1.6","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H61 N4 Sc Si -","- C48 H61 N4 Sc Si -","- C192 H244 N16 Sc4 Si4 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0748","0.0603","","","0.1467","0.1564","","","","","","1.114","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548547","7.8769","0.0016","28.84","0.006","10.921","0.002","90","","106.63","0.03","90","","2377.2","0.9","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Al N2 -","- C26 H35 Al N2 -","- C104 H140 Al4 N8 -","4","1","","Yu, Chao; Zhang, Pengfei; Gao, Fei; Zhang, Shaowen; Li, Xiaofang","A displacement-type fluorescent probe reveals active species in the coordinative polymerization of olefins","Polymer Chemistry","2018","9","5","603","","10.1039/C7PY01915G","","","0.71073","MoKα","","0.0683","0.0581","","","0.1509","0.1597","","","","","","1.105","","","","has coordinates","230958","2020-10-21","18:00:00",""
"1548552","4.02916","0.00009","4.02916","0.00009","8.9505","0.0002","90","","90","","90","","145.304","0.006","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Eu F Mn P -","- Eu F Mn P -","- Eu2 F2 Mn2 P2 -","2","0.125","","I.V. Plokhikh; D.O. Charkin; V.Yu. Verchenko; A.N. Kuznetsov; A.A. Tsirlin; S.M. Kazakov; A.V. Shevelkov","Synthesis, crystal structure and physical properties of europium - manganese fluoride pnictides, EuMnPnF (Pn = P, As, Sb)","Journal of Solid State Chemistry","2018","258","","682","690","10.1016/j.jssc.2017.12.004","powder diffraction","x-ray","1.5418","","","0.0203","0.0182","","0.0235","0.0232","","","","1.55","","","","","","","has coordinates","204568","2020-10-21","18:00:00",""
"1548553","4.12265","0.00007","4.12265","0.00007","9.08462","0.00017","90","","90","","90","","154.404","0.005","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- As Eu F Mn -","- As Eu F Mn -","- As2 Eu2 F2 Mn2 -","2","0.125","","I.V. Plokhikh; D.O. Charkin; V.Yu. Verchenko; A.N. Kuznetsov; A.A. Tsirlin; S.M. Kazakov; A.V. Shevelkov","Synthesis, crystal structure and physical properties of europium - manganese fluoride pnictides, EuMnPnF (Pn = P, As, Sb)","Journal of Solid State Chemistry","2018","258","","682","690","10.1016/j.jssc.2017.12.004","powder diffraction","x-ray","1.5418","","","0.0259","0.0247","","0.0296","0.0295","","","","1.47","","","","","","","has coordinates","204569","2020-10-21","18:00:00",""
"1548554","4.31203","0.00006","4.31203","0.00006","9.43557","0.00018","90","","90","","90","","175.441","0.005","293","","293","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Eu F Mn Sb -","- Eu F Mn Sb -","- Eu2 F2 Mn2 Sb2 -","2","0.125","","I.V. Plokhikh; D.O. Charkin; V.Yu. Verchenko; A.N. Kuznetsov; A.A. Tsirlin; S.M. Kazakov; A.V. Shevelkov","Synthesis, crystal structure and physical properties of europium - manganese fluoride pnictides, EuMnPnF (Pn = P, As, Sb)","Journal of Solid State Chemistry","2018","258","","682","690","10.1016/j.jssc.2017.12.004","powder diffraction","x-ray","1.5418","","","0.0219","0.0219","","0.0281","0.0281","","","","1.42","","","","","","","has coordinates","204570","2020-10-21","18:00:00",""
"1548564","20.011","0.002","8.957","0.001","13.2256","0.0014","90","","92.118","0.002","90","","2368.9","0.4","296","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O -","- C17 H12 O -","- C136 H96 O8 -","8","2","","Xu, Wei; Fu, Yanyan; Liu, Huan; He, Qingguo; Cao, Huimin; Cheng, Jiangong","Attogram ""Meth"" Detection Enabled by Selective Organic Crystal Disaggregation via Directed Crystal Level Interactions.","Analytical chemistry","2018","90","2","1402","1407","10.1021/acs.analchem.7b04783","","","0.71073","MoKα","","0.1612","0.0687","","","0.1874","0.2684","","","","","","0.952","","","","has coordinates","206137","2020-10-21","18:00:00",""
"1548565","12.6608","0.0008","17.559","0.0013","18.5345","0.0014","90","","90","","90","","4120.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51.88 Br4 Co N3 O Zn -","- C37 H51.884 Br4 Co N3 O Zn -","- C148 H207.536 Br16 Co4 N12 O4 Zn4 -","4","1","","Werth, Jacob; Uyeda, Christopher","Regioselective Simmons-Smith-type cyclopropanations of polyalkenes enabled by transition metal catalysis.","Chemical science","2018","9","6","1604","1609","10.1039/c7sc04861k","","","1.54178","CuKα","","0.057","0.0482","","","0.119","0.1234","","","","","","1.022","","","","has coordinates,has disorder","228736","2020-10-21","18:00:00",""
"1548566","9.0343","0.0001","10.2063","0.0002","11.0348","0.0002","66.3381","0.0018","70.1856","0.0017","78.1262","0.0019","873.89","0.03","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-3,4,5-trifluorophenylborinic acid benzylamine complex","","- C19 H14 B F6 N O -","- C19 H14 B F6 N O -","- C38 H28 B2 F12 N2 O2 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0553","0.0426","","","0.1","0.1073","","","","","","1.042","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548567","14.1158","0.0003","8.9604","0.0002","18.8756","0.0004","90","","90.0788","0.0017","90","","2387.44","0.09","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-(phenyl)borinic acid benzylaminobenzoate","","- C27 H26 B Cl2 N O2 -","- C27 H26 B Cl2 N O2 -","- C108 H104 B4 Cl8 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0883","0.0488","","","0.0972","0.1105","","","","","","1.015","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548568","10.014","0.0003","11.7859","0.0004","23.0748","0.0007","103.818","0.0008","98.0649","0.001","96.9376","0.0009","2584.47","0.14","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylamine-4'-phenylbutanoate","","- C29 H24 B F6 N O2 -","- C29 H24 B F6 N O2 -","- C116 H96 B4 F24 N4 O8 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0608","0.0579","","","0.1578","0.1626","","","","","","1.035","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548569","12.8358","0.0009","12.6583","0.0009","12.8851","0.0009","90","","119.06","0.002","90","","1830","0.2","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0594","0.0409","","","0.1042","0.116","","","","","","1.078","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548570","10.635","0.0005","11.4814","0.0005","12.2457","0.0006","83.1389","0.0018","87.0947","0.0019","64.1817","0.0017","1336.36","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-iodophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 I2 O5 -","- C28 H22 B2 I2 O5 -","- C56 H44 B4 I4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0448","0.0286","","","0.0538","0.058","","","","","","1.036","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548571","9.2006","0.0002","11.4729","0.0004","13.1121","0.0004","101.57","0.003","99.773","0.002","98.085","0.003","1314.22","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","Bis-(2-chlorophenyl)borinic acid benzylamine-4-phenylbutanoat","","- C29 H28 B Cl2 N O2 -","- C29 H28 B Cl2 N O2 -","- C58 H56 B2 Cl4 N2 O4 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.07","0.0484","","","0.1119","0.1263","","","","","","1.029","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548572","10.1019","0.0004","11.7656","0.0005","19.567","0.0009","90","","103.69","0.0015","90","","2259.56","0.17","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(3,4,5-trifluorophenyl)-borinic acid benzylaminobenzoat","","- C26 H18 B F6 N O2 -","- C26 H18 B F6 N O2 -","- C104 H72 B4 F24 N4 O8 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0469","0.0373","","","0.0913","0.0976","","","","","","1.017","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548573","11.75","0.0005","11.0269","0.0004","13.1973","0.0005","90","","97.3307","0.0014","90","","1695.95","0.11","120","","120","","","","","","","","","8","P 1 c 1","P -2yc","7","","Bis-3,4,5-trifluorophenylborinic acid ethylenediamine complex","","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C14.5 H13 B Cl1.5 D0.5 F6 N2 O -","- C58 H52 B4 Cl6 D2 F24 N8 O4 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0535","0.0459","","","0.1211","0.1267","","","","","","1.019","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548574","10.372","0.0005","11.1795","0.0005","12.3123","0.0006","106.545","0.0014","111.492","0.0014","96.8493","0.0015","1232.74","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","3,4,5-Trifluorophenylboroxine ‒ benzylamine complex","","- C25 H15 B3 F9 N O3 -","- C25 H15 B3 F9 N O3 -","- C50 H30 B6 F18 N2 O6 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0432","0.0358","","","0.0954","0.1003","","","","","","1.034","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548575","17.083","0.004","13.093","0.003","7.99","0.002","90","","90","","90","","1787.1","0.7","120","","120","","","","","","","","","5","P b c n","-P 2n 2ab","60","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0781","0.0445","","","0.1031","0.117","","","","","","1.049","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548576","21.212","0.0009","11.2705","0.0005","18.8494","0.0008","90","","114.886","0.0016","90","","4087.9","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenylboroxine complex with 4 equiv. benzylamine","","- C46 H51 B3 N4 O3 -","- C46 H51 B3 N4 O3 -","- C184 H204 B12 N16 O12 -","4","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.074","0.0496","","","0.1053","0.1169","","","","","","1.039","","","","has coordinates,has disorder","228717","2020-10-21","18:00:00",""
"1548577","10.4296","0.0005","11.147","0.0006","11.7996","0.0006","84.748","0.002","87.958","0.002","67.5356","0.0019","1262.39","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","","Di-2-chlorophenylboronic B-O-B di-2-phenylacetate","","- C28 H22 B2 Cl2 O5 -","- C28 H22 B2 Cl2 O5 -","- C56 H44 B4 Cl4 O10 -","2","1","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0637","0.0427","","","0.1019","0.1111","","","","","","1.027","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548578","11.2396","0.0004","15.2054","0.0006","17.9361","0.0007","89.7333","0.0016","72.0196","0.0015","84.3291","0.0017","2900.27","0.19","120","","120","","","","","","","","","5","P -1","-P 1","2","","phenylboroxine complex with 2 equiv. benzylamine","","- C32 H33 B3 N2 O3 -","- C32 H33 B3 N2 O3 -","- C128 H132 B12 N8 O12 -","4","2","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","0.71073","MoKα","","0.0624","0.0445","","","0.1005","0.1087","","","","","","1.03","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548579","12.8086","0.0004","12.6262","0.0004","12.8625","0.0005","90","","119.598","0.002","90","","1808.74","0.11","220","","220","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,4,5-trifluorophenylboroxine","","- C18 H6 B3 F9 O3 -","- C18 H6 B3 F9 O3 -","- C72 H24 B12 F36 O12 -","4","0.5","","Arkhipenko, Sergey; Sabatini, Marco T.; Batsanov, Andrei S.; Karaluka, Valerija; Sheppard, Tom D.; Rzepa, Henry S.; Whiting, Andrew","Mechanistic insights into boron-catalysed direct amidation reactions.","Chemical science","2018","9","4","1058","1072","10.1039/c7sc03595k","","x-ray","1.54184","CuKα","","0.0715","0.0628","","","0.1811","0.1941","","","","","","1.053","","","","has coordinates","228717","2020-10-21","18:00:00",""
"1548586","19.942","0.002","10.9697","0.0007","24.135","0.002","90","","112.7","0.011","90","","4870.7","0.8","250","2","250","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C200 H136 Au8 Cl8 F32 N16 O8 P8 -","8","2","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0895","0.0486","","","0.1096","0.1371","","","","","","1.04","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548587","16.0034","0.0005","8.3754","0.0002","19.2521","0.0005","90","","111.188","0.003","90","","2406.01","0.12","200","","200","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Au Cl F4 N2 O P -","- C25 H17 Au Cl F4 N2 O P -","- C100 H68 Au4 Cl4 F16 N8 O4 P4 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0389","0.0258","","","0.0566","0.0598","","","","","","1.058","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548588","11.051","0.003","15.816","0.004","16.857","0.005","109.459","0.003","103.933","0.005","104.747","0.005","2509.4","1.2","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C37.85 H26.29 Au2 Cl7.11 F4 N2 P2 -","- C75.7 H52.58 Au4 Cl14.22 F8 N4 P4 -","2","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","","0.71075","MoKα","","0.1239","0.1038","","","0.2582","0.2689","","","","","","1.119","","","","has coordinates","227979","2020-10-21","18:00:00",""
"1548589","18.453","0.0016","18.5065","0.0019","11.1568","0.0013","90","","97.085","0.01","90","","3781","0.7","250","","250","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C36.8 H24.8 Au2 Cl4.4 F4 N2 P2 -","- C147.2 H99.2 Au8 Cl17.6 F16 N8 P8 -","4","1","","Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.","Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis","Catalysis Science & Technology","2018","8","3","710","","10.1039/C7CY01614J","","x-ray","0.71073","MoKα","","0.0727","0.0403","","","0.0991","0.1115","","","","","","1.029","","","","has coordinates,has disorder","227979","2020-10-21","18:00:00",""
"1548590","38.4003","0.0015","9.7146","0.0004","18.3058","0.0008","90","","114.338","0.002","90","","6222","0.5","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 B N O -","- C39 H42 B N O -","- C312 H336 B8 N8 O8 -","8","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0991","0.0596","","","0.132","0.1492","","","","","","1.043","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548591","8.488","0.0006","10.8609","0.0007","12.4693","0.0009","97.707","0.002","98.593","0.002","105.796","0.002","1075.07","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0939","0.0624","","","0.1625","0.1768","","","","","","1.112","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548592","12.3452","0.0006","9.0371","0.0005","20.4924","0.001","90","","91.199","0.002","90","","2285.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 B N O -","- C27 H32 B N O -","- C108 H128 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.0913","0.061","","","0.1538","0.1686","","","","","","1.072","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548593","10.146","0.003","16.684","0.005","16.55","0.005","90","","103.602","0.008","90","","2722.9","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N O -","- C28 H34 B N O -","- C112 H136 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Wang, Jun-Wei; Li, Haijun; Hu, Guo-Fei; Li, Xue; Mellerup, Soren K.; Wang, Nan; Peng, Tai; Wang, Suning","A simple multi-responsive system based on aldehyde functionalized amino-boranes.","Chemical science","2018","9","7","1902","1911","10.1039/c7sc03617e","","","0.71073","MoKα","","0.1395","0.0762","","","0.1781","0.205","","","","","","0.963","","","","has coordinates","228782","2020-10-21","18:00:00",""
"1548594","17.551","0.006","15.552","0.005","17.729","0.006","90","","93.183","0.008","90","","4832","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 B N2 Se2 -","- C23 H37 B N2 Se2 -","- C184 H296 B8 N16 Se16 -","8","2","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.2188","0.0694","","","0.1626","0.2245","","","","","","0.97","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548595","18.966","0.004","13.037","0.003","18.816","0.005","90","","97.143","0.01","90","","4616.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H70 B2 N4 S -","- C49 H70 B2 N4 S -","- C196 H280 B8 N16 S4 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.219","0.0779","","","0.1632","0.2174","","","","","","0.951","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548596","16.059","0.003","17.563","0.003","17.928","0.003","90","","103.042","0.005","90","","4926.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 Se3 -","- C50 H78 B2 N4 O2 Se3 -","- C200 H312 B8 N16 O8 Se12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1018","0.0574","","","0.0891","0.1007","","","","","","1.073","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548597","15.945","0.003","17.53","0.004","17.924","0.003","90","","102.905","0.004","90","","4883.5","1.7","100","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 B2 N4 O2 S3 -","- C50 H78 B2 N4 O2 S3 -","- C200 H312 B8 N16 O8 S12 -","4","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1619","0.0738","","","0.1255","0.1523","","","","","","0.985","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548598","10.784","0.004","16.852","0.005","19.026","0.006","90","","91.03","0.03","90","","3457","2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O Se2 -","- C37 H49 B N2 O Se2 -","- C148 H196 B4 N8 O4 Se8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.1634","0.0648","","","0.1155","0.144","","","","","","0.956","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548599","8.8508","0.0009","8.8654","0.0008","14.6186","0.0015","75.639","0.003","86.11","0.003","80.401","0.003","1095.24","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","- C48 H68 B2 N4 S2 -","1","0.5","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0847","0.0605","","","0.1429","0.1595","","","","","","1.057","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548600","17.8352","0.0015","16.7797","0.0016","28.365","0.003","90","","90","","90","","8488.8","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H62 B2 N4 Se -","- C42 H62 B2 N4 Se -","- C336 H496 B16 N32 Se8 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0869","0.0508","","","0.1029","0.1182","","","","","","1.097","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548601","16.39","0.03","17.61","0.03","38.28","0.07","90","","90","","90","","11049","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H86 B2 N4 O3 S4 -","- C54 H86 B2 N4 O3 S4 -","- C432 H688 B16 N32 O24 S32 -","8","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.4879","0.215","","","0.4095","0.537","","","","","","1.036","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548602","10.672","0.002","16.818","0.004","18.902","0.005","90","","91.75","0.03","90","","3391","1.4","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 B N2 O S2 -","- C37 H49 B N2 O S2 -","- C148 H196 B4 N8 O4 S8 -","4","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0423","0.0352","","","0.0865","0.0917","","","","","","1.022","","","","has coordinates,has disorder","228676","2020-10-21","18:00:00",""
"1548603","8.8289","0.0011","8.8405","0.0016","14.667","0.003","85.939","0.013","75.916","0.01","79.987","0.01","1093","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 B N2 Se -","- C24 H34 B N2 Se -","- C48 H68 B2 N4 Se2 -","2","1","","Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger","Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.","Chemical science","2018","9","8","2252","2260","10.1039/c7sc04789d","","","0.71073","MoKα","","0.0896","0.0536","","","0.0969","0.1099","","","","","","0.998","","","","has coordinates","228676","2020-10-21","18:00:00",""
"1548613","6.1624","0.0006","7.7041","0.0007","30.136","0.003","90","","90","","90","","1430.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming","A catalytic highly enantioselective allene approach to oxazolines.","Chemical science","2018","9","7","1964","1969","10.1039/c7sc04079b","","","0.71073","MoKα","","0.026","0.023","","","0.0559","0.0569","","","","","","1.028","","","","has coordinates","228783","2020-10-21","18:00:00",""
"1548614","13.751","0.005","16.557","0.006","28.155","0.01","90","","93.121","0.004","90","","6401","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37.5 B I2 N O -","- C33 H38 B I2 N O -","- C264 H304 B8 I16 N8 O8 -","8","2","","Qi, Yanyu; Xu, Wenjun; Kang, Rui; Ding, Nannan; Wang, Yelei; He, Gang; Fang, Yu","Discrimination of saturated alkanes and relevant volatile compounds <i>via</i> the utilization of a conceptual fluorescent sensor array based on organoboron-containing polymers.","Chemical science","2018","9","7","1892","1901","10.1039/c7sc05243j","","","0.71073","MoKα","","0.0888","0.0732","","","0.1701","0.1792","","","","","","1.316","","","","has coordinates","228791","2020-10-21","18:00:00",""
"1548615","11.4664","0.0002","24.2697","0.0004","28.3765","0.0005","67.455","0.0007","88.576","0.0007","85.754","0.0007","7273.2","0.2","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H61 Li Ni O8.25 -","- C35.5 H61 Li Ni O8.25 -","- C284 H488 Li8 Ni8 O66 -","8","4","","Iwasaki, Takanori; Fukuoka, Asuka; Yokoyama, Wataru; Min, Xin; Hisaki, Ichiro; Yang, Tao; Ehara, Masahiro; Kuniyasu, Hitoshi; Kambe, Nobuaki","Nickel-catalyzed coupling reaction of alkyl halides with aryl Grignard reagents in the presence of 1,3-butadiene: mechanistic studies of four-component coupling and competing cross-coupling reactions.","Chemical science","2018","9","8","2195","2211","10.1039/c7sc04675h","","","1.54187","CuKα","","0.1745","0.1017","","","0.2986","0.3607","","","","","","1.052","","","","has coordinates,has disorder","228677","2020-10-21","18:00:00",""
"1548616","15.7074","0.0008","32.8408","0.0016","13.412","0.0009","90","","90","","90","","6918.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 Ga O6 -","- C15 H21 Ga O6 -","- C240 H336 Ga16 O96 -","16","4","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.0799","0.0546","","","0.1302","0.1453","","","","","","1.072","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548617","12.3537","0.0006","12.2717","0.0005","15.5166","0.0007","90","","112.273","0.006","90","","2176.82","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ga I N O6 -","- C16 H28 Ga I N O6 -","- C64 H112 Ga4 I4 N4 O24 -","4","1","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.07","0.0522","","","0.1266","0.1424","","","","","","1.131","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548632","13.706","0.002","34.19","0.008","45.37","0.011","90","","90","","90","","21261","8","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C27 H14 In N O8 -","- C27 H14 In N O8 -","- C432 H224 In16 N16 O128 -","16","","","Hou, Sheng-Li; Dong, Jie; Jiang, Xiao-Lei; Jiao, Zhuo-Hao; Wang, Chu-Ming; Zhao, Bin","Interpenetration-Depended Luminescent Probe in Indium-Organic Frameworks for Selectively Detecting Nitrofurazone in Water.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b05088","","","0.71073","MoKα","","0.1486","0.05","","","0.0929","0.1088","","","","","","0.62","","","","has coordinates","204933","2020-10-21","18:00:00",""
"1548633","9.8441","0.0011","13.3787","0.0018","13.8506","0.0017","112.559","0.013","97.112","0.01","91.975","0.01","1664.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 In N4 O10 -","- C35 H35 In N4 O10 -","- C70 H70 In2 N8 O20 -","2","1","","Hou, Sheng-Li; Dong, Jie; Jiang, Xiao-Lei; Jiao, Zhuo-Hao; Wang, Chu-Ming; Zhao, Bin","Interpenetration-Depended Luminescent Probe in Indium-Organic Frameworks for Selectively Detecting Nitrofurazone in Water.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b05088","","","0.71073","MoKα","","0.1233","0.1081","","","0.2862","0.2991","","","","","","1.175","","","","has coordinates","204934","2020-10-21","18:00:00",""
"1548634","13.4779","0.0014","8.1983","0.0009","31.894","0.003","90","","90","","90","","3524.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 N O S -","- C19 H27 N O S -","- C152 H216 N8 O8 S8 -","8","1","","Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao","Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization.","Chemical science","2018","9","7","1846","1853","10.1039/c7sc04580h","","","0.71073","MoKα","","0.0563","0.0466","","","0.1143","0.121","","","","","","1.048","","","","has coordinates","228786","2020-10-21","18:00:00",""
"1548635","9.7798","0.0002","10.6568","0.0002","17.5257","0.0003","90","","90","","90","","1826.55","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong","Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.","Chemical science","2018","9","7","1873","1877","10.1039/c7sc04784c","","","1.54178","CuKα","","0.0454","0.0426","","","0.1134","0.1179","","","","","","1.043","","","","has coordinates","228788","2020-10-21","18:00:00",""
"1548636","7.786","0.003","8.024","0.003","16.081","0.005","90","","90","","90","","1004.7","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Ag N O4 -","- C8 H14 Ag N O4 -","- C32 H56 Ag4 N4 O16 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0163","0.0162","","","0.0441","0.0442","","","","","","1.028","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548637","16.509","0.001","8.4282","0.0005","13.9655","0.0008","90","","114.69","0.001","90","","1765.53","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Ag N O3 Si -","- C18 H20 Ag N O3 Si -","- C72 H80 Ag4 N4 O12 Si4 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0395","0.0369","","","0.1133","0.1174","","","","","","1.009","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548638","15.186","0.002","13.4178","0.0013","17.1643","0.0016","90","","112.449","0.0014","90","","3232.4","0.6","100","0.5","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","neivf10","","","- C30.71 H44.57 Br1.14 Fe N2 O2.86 -","- C30.712 H44.568 Br1.144 Fe N2 O2.856 -","- C122.848 H178.272 Br4.576 Fe4 N8 O11.424 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0822","0.0512","","","0.1039","0.1148","","","","","","1.005","","","","has coordinates,has disorder","228785","2020-10-21","18:00:00",""
"1548639","10.0953","0.0008","10.9483","0.0008","17.657","0.0013","88.7501","0.0016","75.1691","0.0016","88.9205","0.0016","1885.9","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neism54","","","- C39 H60 Fe N2 O4 -","- C39 H60 Fe N2 O4 -","- C78 H120 Fe2 N4 O8 -","2","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0725","0.0484","","","0.1339","0.1459","","","","","","1.047","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548640","11.2603","0.0006","22.9235","0.0012","16.1864","0.0009","90","","103.878","0.0011","90","","4056.2","0.4","100","0.5","100","0.5","","","","","","","","5","C 1 c 1","C -2yc","9","neism35","","","- C33 H46 Fe N2 O4 -","- C33 H46 Fe N2 O4 -","- C132 H184 Fe4 N8 O16 -","4","1","","Fleischauer, Valerie E.; Muñoz Iii, Salvador B; Neate, Peter G. N.; Brennessel, William W.; Neidig, Michael L.","NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.","Chemical science","2018","9","7","1878","1891","10.1039/c7sc04750a","","","0.71073","MoKα","","0.0481","0.0341","","","0.0753","0.0808","","","","","","0.981","","","","has coordinates","228785","2020-10-21","18:00:00",""
"1548649","11.9273","0.0002","15.9773","0.0003","20.8434","0.0004","90","","90","","90","","3972.04","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 N4 O7 -","- C45 H58 N4 O7 -","- C180 H232 N16 O28 -","4","1","","Zhang, Yu; Yuan, Yu-Xi; Goto, Masuo; Guo, Ling-Li; Li, Xiao-Nian; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Taburnaemines A‒I, Cytotoxic Vobasinyl-Iboga-Type Bisindole Alkaloids from Tabernaemontana corymbosa","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00949","","","1.54178","CuKα","","0.0318","0.0317","","","0.0811","0.0811","","","","","","1.088","","","","has coordinates","205040","2020-10-21","18:00:00",""
"1548650","9.4439","0.0002","18.2011","0.0003","24.5795","0.0004","90","","90","","90","","4224.95","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H56 N4 O8 -","- C47 H56 N4 O8 -","- C188 H224 N16 O32 -","4","1","","Zhang, Yu; Yuan, Yu-Xi; Goto, Masuo; Guo, Ling-Li; Li, Xiao-Nian; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Taburnaemines A‒I, Cytotoxic Vobasinyl-Iboga-Type Bisindole Alkaloids from Tabernaemontana corymbosa","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00949","","","1.54178","CuKα","","0.0321","0.0315","","","0.0818","0.0824","","","","","","1.044","","","","has coordinates","205041","2020-10-21","18:00:00",""
"1548651","21.2508","0.0003","21.6182","0.0002","39.5929","0.0004","93.208","0.001","101.624","0.001","118.521","0.001","15407.3","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C250.5 H168.5 B5 Co6 F41 N47 O21.25 S7 -","- C247.5 H168.5 B5 Co6 F32 N47 O12.25 S4 -","- C495 H337 B10 Co12 F64 N94 O24.5 S8 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1226","0.1132","","","0.27","0.2782","","","","","","1.058","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548652","25.0303","0.0004","26.7592","0.0005","34.5514","0.0007","68.113","0.0017","88.8092","0.0017","66.5154","0.0014","19472.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C273 H263.5 B60.5 Co6 F19.5 N62.5 O20.5 S6.5 -","- C265.001 H263.5 B66 Co6 F12.003 N62.5 O13.003 S4.001 -","- C530.002 H527 B132 Co12 F24.006 N125 O26.006 S8.002 -","2","1","","Rizzuto, Felix J.; Kieffer, Marion; Nitschke, Jonathan R.","Quantified structural speciation in self-sorted CoII6L<sub>4</sub> cage systems.","Chemical science","2018","9","7","1925","1930","10.1039/c7sc04927g","","","0.6889","Synchrotron","","0.1399","0.1179","","","0.3293","0.3464","","","","","","1.146","","","","has coordinates,has disorder","228787","2020-10-21","18:00:00",""
"1548653","15.5829","0.0011","39.582","0.003","16.2027","0.0011","90","","110.448","0.002","90","","9364.1","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H130 Cl2 N4 Ni2 O5 -","- C85 H114 N4 Ni2 O5 -","- C340 H456 N16 Ni8 O20 -","4","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","0.7749","Synchrotron","","0.0626","0.0439","","","0.1126","0.1206","","","","","","1.033","","","","has coordinates","228730","2020-10-21","18:00:00",""
"1548654","11.4567","0.0007","13.1358","0.001","25.5529","0.0016","82.482","0.005","89.48","0.004","67.19","0.005","3510.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H96 N6 Ni2 O4 -","- C72 H96 N6 Ni2 O4 -","- C144 H192 N12 Ni4 O8 -","2","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0793","0.0599","","","0.1685","0.1848","","","","","","1.044","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548655","29.9305","0.0005","12.1234","0.0002","47.9429","0.0008","90","","90","","90","","17396.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C89 H139 N4 Ni2 O4 -","- C68 H90 N4 Ni2 O4 -","- C544 H720 N32 Ni16 O32 -","8","1","","Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim","Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption.","Chemical science","2018","9","6","1610","1620","10.1039/c7sc04537a","","","1.54178","CuKα","","0.0893","0.0555","","","0.125","0.1382","","","","","","1.08","","","","has coordinates,has disorder","228730","2020-10-21","18:00:00",""
"1548656","13.7157","0.0004","21.388","0.0007","65.483","0.002","90","","90","","90","","19209.5","1","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C192 H133 Ca2 O29 P4 -","- C192 H133 Ca2 O29 P4 -","- C768 H532 Ca8 O116 P16 -","4","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0928","0.063","","","0.1295","0.1434","","","","","","0.928","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548657","4.681","0.0005","6.1091","0.0007","14.2048","0.0016","100.603","0.008","92.652","0.008","94.55","0.009","397.25","0.08","100","2","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","1","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0517","0.0485","","","0.1197","0.1266","","","","","","1.111","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548659","13.855","0.004","9.378","0.002","30.742","0.008","90","","101.648","0.003","90","","3912.1","1.7","100","2","100","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C78 H78 B2 Fe2 N8 O2 P2 Zn2 -","- C156 H156 B4 Fe4 N16 O4 P4 Zn4 -","2","0.5","","Abubekerov, Mark; Wei, Junnian; Swartz, Kevin R.; Xie, Zhixin; Pei, Qibing; Diaconescu, Paula L.","Preparation of multiblock copolymers <i>via</i> step-wise addition of l-lactide and trimethylene carbonate.","Chemical science","2018","9","8","2168","2178","10.1039/c7sc04507g","","","0.71073","MoKα","","0.0979","0.0793","","","0.2114","0.2198","","","","","","1.038","","","","has coordinates,has disorder","228680","2020-10-21","18:00:00",""
"1548660","17.2181","0.0008","12.9003","0.0007","14.6113","0.0009","90","","110.082","0.002","90","","3048.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 B9 Hf2 -","- C27 H35 B9 Hf2 -","- C108 H140 B36 Hf8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","1.54178","CuKα","","0.1043","0.0783","","","0.2117","0.2342","","","","","","1.059","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548661","17.2544","0.0006","12.8796","0.0003","14.6295","0.0005","90","","109.855","0.002","90","","3057.85","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 B9 Zr2 -","- C27 H39 B9 Zr2 -","- C108 H156 B36 Zr8 -","4","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0667","0.0375","","","0.0767","0.088","","","","","","1.021","","","","has coordinates,has disorder","228789","2020-10-21","18:00:00",""
"1548662","9.3061","0.0008","7.8838","0.0007","14.9171","0.0012","90","","100.72","0.002","90","","1075.33","0.16","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H24 B5 Hf2 -","- C20 H24 B5 Hf2 -","- C40 H48 B10 Hf4 -","2","1","","De, Anangsha; Zhang, Qian-Fan; Mondal, Bijan; Cheung, Ling Fung; Kar, Sourav; Saha, Koushik; Varghese, Babu; Wang, Lai-Sheng; Ghosh, Sundargopal","[(Cp<sub>2</sub>M)<sub>2</sub>B<sub>9</sub>H<sub>11</sub>] (M = Zr or Hf): early transition metal 'guarded' heptaborane with strong covalent and electrostatic bonding.","Chemical science","2018","9","7","1976","1981","10.1039/c7sc05014c","","","0.71073","MoKα","","0.0497","0.0396","","","0.0911","0.0968","","","","","","1.022","","","","has coordinates","228789","2020-10-21","18:00:00",""
"1548663","12.8859","0.0007","16.1958","0.0008","16.3976","0.0011","87.898","0.005","88.392","0.005","66.732","0.005","3141.3","0.3","122.97","0.11","122.97","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 O6 P3 -","- C36 H33 O6 P3 -","- C144 H132 O24 P12 -","4","2","","Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G.","P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11299","","x-ray","0.71073","MoKα","","0.0867","0.074","","","0.193","0.2023","","","","","","1.129","","","","has coordinates","205136","2020-10-21","18:00:00",""
"1548664","17.0211","0.0002","12.4999","0.00013","18.018","0.0003","90","","106.364","0.0014","90","","3678.26","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 O4 P2 -","- C19 H20 O4 P2 -","- C152 H160 O32 P16 -","8","1","","Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G.","P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11299","","x-ray","1.54184","CuKα","","0.0328","0.0287","","","0.0766","0.0802","","","","","","1.033","","","","has coordinates","205137","2020-10-21","18:00:00",""
"1548665","19.4469","0.0004","9.4267","0.0002","36.0286","0.0008","90","","93.5031","0.0019","90","","6592.4","0.2","291.33","0.1","291.33","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H21 N3 O5 P2 -","- C6 H21 N3 O5 P2 -","- C120 H420 N60 O100 P40 -","20","5","","Tupikina, Elena Yu.; Bodensteiner, Michael; Tolstoy, Peter M.; Denisov, Gleb S.; Shenderovich, Ilya G.","P═O Moiety as an Ambidextrous Hydrogen Bond Acceptor","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11299","","x-ray","0.71073","MoKα","","0.0521","0.0415","","","0.1006","0.1063","","","","","","1.058","","","","has coordinates,has disorder","205138","2020-10-21","18:00:00",""
"1548666","12.589","0.007","12.589","0.007","13.689","0.007","90","","90","","90","","2169","2","223","2","223","2","","","","","","","","6","I -4","I -4","82","","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","","- C36 H56 Fe O4 P Si4 -","- C36 H56 Fe O4 P Si4 -","- C72 H112 Fe2 O8 P2 Si8 -","2","0.25","SJ4151","Hay, Michael T.; Yennawar, Hemant P.","Tetraphenylphosphonium tetrakis(trimethylsilanolato)ferrate(III)","IUCrData","2018","3","1","x171823","","10.1107/S2414314617018235","","","0.71073","MoKα","","0.044","0.0361","","","0.075","0.078","","","","","","0.916","","","","has coordinates,has Fobs","206147","2020-10-21","18:00:00",""
"1548667","28.1477","0.0008","17.3385","0.0007","26.1837","0.001","90","","90","","90","","12778.7","0.8","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","","- C17 H10 Cl4 O -","- C17 H10 Cl4 O -","- C544 H320 Cl128 O32 -","32","2","HG4033","Dravida Thendral, Era; Mohamooda Sumaya, U.; Gomathi, S.; Biruntha, K.; Usha, G.","(1<i>E</i>,4<i>E</i>)-1,5-Bis(2,6-dichlorophenyl)penta-1,4-dien-3-one","IUCrData","2018","3","1","x171822","","10.1107/S2414314617018223","","","0.71073","MoKα","","0.0637","0.04","","","0.0752","0.0854","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","205175","2020-10-21","18:00:00",""
"1548668","11.9896","0.0009","18.4215","0.0013","10.9903","0.001","90","","110.153","0.009","90","","2278.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","","- C26 H27 N5 O -","- C26 H27 N5 O -","- C104 H108 N20 O4 -","4","1","","Singh, Vikram. D.; Anthal, Sumati; Desai, N. R.; Arunakumar, D. B.; Sreenivasa, S.; Kamni; Kant, Rajni","3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline","IUCrData","2018","3","1","x180030","","10.1107/S2414314618000305","","","0.71073","MoKα","","0.137","0.0635","","","0.1272","0.1649","","","","","","1.003","","","","has coordinates,has Fobs","205176","2020-10-21","18:00:00",""
"1548669","5.6487","0.0003","16.7479","0.0011","16.9726","0.0014","90","","90","","90","","1605.67","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C60 H64 N16 O12 S4 -","4","1","HB4198","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","IUCrData","2018","3","1","x171852","","10.1107/S2414314617018521","","","0.71073","MoKα","","0.0697","0.0477","","","0.1135","0.1297","","","","","","1.072","","","","has coordinates,has Fobs","205177","2020-10-21","18:00:00",""
"1548670","32.387","0.003","9.8559","0.0015","5.0043","0.0008","90","","90","","90","","1597.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","HB4196","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 1-phenyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazole-3-carboxylate","IUCrData","2018","3","1","x171840","","10.1107/S2414314617018405","","","0.71073","MoKα","","0.0764","0.0545","","","0.1369","0.1493","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205178","2020-10-21","18:00:00",""
"1548671","10.422","0.0007","13.4232","0.0005","23.8943","0.0014","90","","90.198","0.006","90","","3342.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","XU4033","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)thiazole","IUCrData","2018","3","1","x180036","","10.1107/S2414314618000366","","","0.71073","MoKα","","0.1355","0.0625","","","0.147","0.1833","","","","","","1.032","","","","has coordinates,has Fobs","205179","2020-10-21","18:00:00",""
"1548672","8.5395","0.0013","8.9377","0.0013","23.444","0.004","90","","91.066","0.002","90","","1789","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","2","VM4032","Guerrab, Walid; Mague, Joel T.; Taoufik, Jamal; Ramli, Youssef","3-Hexyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180057","","10.1107/S2414314618000573","","","0.71073","MoKα","","0.0549","0.0444","","","0.1075","0.1119","","","","","","1.044","","","","has coordinates,has Fobs","205180","2020-10-21","18:00:00",""
"1548673","8.492","0.0004","8.5213","0.0004","12.6353","0.0006","91.9","0.001","99.41","0.001","115.117","0.001","811.33","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","ZQ4026","Guerrab, Walid; Mague, Joel T.; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Ramli, Youssef","3-Butyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x180050","","10.1107/S2414314618000500","","","0.71073","MoKα","","0.0467","0.041","","","0.117","0.1202","","","","","","1.084","","","","has coordinates,has Fobs","205181","2020-10-21","18:00:00",""
"1548674","8.8897","0.0005","13.2911","0.0007","16.6864","0.0009","67.9","0.001","81.027","0.001","74.294","0.001","1755.27","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","2","VM4031","Guerrab, Walid; Akrad, Rachida; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","3-Benzyl-5,5-diphenylimidazolidine-2,4-dione","IUCrData","2018","3","1","x171832","","10.1107/S2414314617018326","","","0.71073","MoKα","","0.0613","0.0469","","","0.1224","0.1293","","","","","","1.032","","","","has coordinates,has Fobs","205182","2020-10-21","18:00:00",""
"1548675","4.0047","0.0002","13.2585","0.0008","7.3356","0.0004","90","","97.44","0.003","90","","386.21","0.04","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","I","3,5-Dibromobenzonitrile","","- C7 H3 Br2 N -","- C7 H3 Br2 N -","- C14 H6 Br4 N2 -","2","0.5","SJ4154","Noland, Wayland E.; Tritch, Kenneth J.","3,5-Dibromobenzonitrile","IUCrData","2018","3","1","x180059","","10.1107/S2414314618000597","","","0.71073","MoKα","","0.0306","0.0244","","","0.0562","0.058","","","","","","1.074","","","","has coordinates,has Fobs","205183","2020-10-21","18:00:00",""
"1548676","4.7215","0.0004","10.0181","0.0009","8.7689","0.0008","90","","93.023","0.004","90","","414.2","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","RNC","2,6-Dibromo-4-chlorophenyl isocyanide","","- C7 H2 Br2 Cl N -","- C7 H2 Br2 Cl N -","- C14 H4 Br4 Cl2 N2 -","2","0.5","SJ4150","Noland, Wayland E.; Tritch, Kenneth J.","2,6-Dibromo-4-chlorophenyl isocyanide","IUCrData","2018","3","1","x171819","","10.1107/S2414314617018193","","","0.71073","MoKα","","0.0233","0.0206","","","0.0484","0.05","","","","","","1.083","","","","has coordinates,has Fobs","205184","2020-10-21","18:00:00",""
"1548677","5.9238","0.0014","9.735","0.002","22.444","0.008","90","","90","","90","","1294.3","0.6","176","2","176","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Chloro-4-nitropyridine <i>N</i>-oxide","","- C5 H3 Cl N2 O3 -","- C5 H3 Cl N2 O3 -","- C40 H24 Cl8 N16 O24 -","8","1","TK4042","Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W.","2-Chloro-4-nitropyridine <i>N</i>-oxide","IUCrData","2018","3","1","x180016","","10.1107/S2414314618000160","","","0.71073","MoKα","","0.0718","0.0496","","","0.1204","0.1316","","","","","","1.064","","","","has coordinates,has Fobs","205185","2020-10-21","18:00:00",""
"1548678","8.0762","0.0004","6.2486","0.0004","14.5096","0.001","90","","92.161","0.002","90","","731.71","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","","- C11 H19 N O7 S -","- C11 H19 N O7 S -","- C22 H38 N2 O14 S2 -","2","1","TK4043","Prabu, P.; Thiruvalluvar, A.; Ramachandra Raja, C.","1-Carboxy-2-hydroxypropan-1-aminium 4-methylbenzenesulfonate monohydrate","IUCrData","2018","3","1","x171848","","10.1107/S241431461701848X","","","0.71073","MoKα","","0.0559","0.0371","","","0.0728","0.0811","","","","","","1.023","","","","has coordinates,has Fobs","205186","2020-10-21","18:00:00",""
"1548679","12.2617","0.0007","8.0222","0.0004","12.7397","0.0007","90","","112.38","0.006","90","","1158.76","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","","- C10 H13 Br N2 S -","- C10 H13 Br N2 S -","- C40 H52 Br4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea","IUCrData","2018","3","1","x180045","","10.1107/S2414314618000457","","","1.54184","CuKα","","0.0435","0.0377","","","0.1082","0.1153","","","","","","1.057","","","","has coordinates,has Fobs","205187","2020-10-21","18:00:00",""
"1548680","9.1617","0.0002","10.2307","0.0003","16.8581","0.0005","90","","92.812","0.003","90","","1578.22","0.07","291","2","291.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","","- C19 H14 O5 -","- C19 H14 O5 -","- C76 H56 O20 -","4","1","HB4199","Cao, Yi; Mai, Wenpeng; Yuan, Jinwei","3-Benzoyl-4-methyl-2-oxo-2<i>H</i>-chromen-7-yl acetate","IUCrData","2018","3","1","x180015","","10.1107/S2414314618000159","","","1.54184","CuKα","","0.0563","0.0484","","","0.1288","0.1381","","","","","","1.039","","","","has coordinates,has Fobs","205188","2020-10-21","18:00:00",""
"1548681","4.6637","0.0003","9.4598","0.0006","11.9898","0.0007","111.639","0.005","101.035","0.005","93.712","0.005","477.25","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","","- C8 H7 Br Cl N O2 -","- C8 H7 Br Cl N O2 -","- C16 H14 Br2 Cl2 N2 O4 -","2","1","SJ4153","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","Methyl <i>N</i>-(2-bromo-4-chlorophenyl)carbamate","IUCrData","2018","3","1","x180054","","10.1107/S2414314618000548","","","1.54184","CuKα","","0.0248","0.0239","","","0.0627","0.0633","","","","","","1.076","","","","has coordinates,has Fobs","205189","2020-10-21","18:00:00",""
"1548682","8.1891","0.0004","14.1804","0.0006","14.505","0.0006","68.075","0.004","84.22","0.004","74.627","0.004","1506.65","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","","- C18 H13 F2 N3 O -","- C18 H13 F2 N3 O -","- C72 H52 F8 N12 O4 -","4","2","HB4197","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x171841","","10.1107/S2414314617018417","","","0.71073","MoKα","","0.0863","0.0526","","","0.1202","0.1409","","","","","","1.05","","","","has coordinates,has Fobs","205190","2020-10-21","18:00:00",""
"1548683","7.6756","0.0002","13.6762","0.0003","17.6561","0.0004","90","","110.442","0.002","90","","1736.7","0.07","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","ZQ4025","Balakumaran, K.; Mosesbabu, J.; Anireddy, Jayashree; Chakkaravarthi, G.","(<i>E</i>)-5-{4-[2-(5-Ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine-2,4-dione","IUCrData","2018","3","1","x171839","","10.1107/S2414314617018399","","","1.54184","CuKα","","0.0461","0.0404","","","0.1092","0.1152","","","","","","1.045","","","","has coordinates,has Fobs","205191","2020-10-21","18:00:00",""
"1548684","7.5971","0.0004","9.9501","0.0005","28.569","0.0013","90","","95.086","0.002","90","","2151.08","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C80 H64 Br8 N24 O16 -","8","2","HB4194","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2018","3","1","x171837","","10.1107/S2414314617018375","","","1.54178","CuKα","","0.0852","0.0792","","","0.2135","0.2174","","","","","","1.191","","","","has coordinates,has Fobs","205192","2020-10-21","18:00:00",""
"1548685","9.8152","0.0003","10.0783","0.0002","22.512","0.0007","90","","90","","90","","2226.9","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","","- C10 H11 F3 N2 O -","- C10 H11 F3 N2 O -","- C80 H88 F24 N16 O8 -","8","1","HB4201","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M.","1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea","IUCrData","2018","3","1","x180040","","10.1107/S2414314618000408","","","1.54184","CuKα","","0.0563","0.0435","","","0.1281","0.1393","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","205193","2020-10-21","18:00:00",""
"1548696","10.039","0.003","14.627","0.004","11.432","0.003","90","","96.919","0.005","90","","1666.5","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 B10 -","- C12 H20 B10 -","- C48 H80 B40 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0879","0.0629","","","0.1704","0.1971","","","","","","1.02","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548697","11.7439","0.0006","8.5035","0.0005","12.5486","0.0007","90","","108.228","0.001","90","","1190.27","0.11","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 S -","- C5 H14 B10 S -","- C20 H56 B40 S4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0526","0.0459","","","0.1353","0.1417","","","","","","1.104","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548698","6.955","0.0009","10.8072","0.0014","16.754","0.002","90","","90","","90","","1259.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 B10 O2 -","- C5 H16 B10 O2 -","- C20 H64 B40 O8 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1086","0.083","","","0.2047","0.2314","","","","","","1.05","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548699","11.9424","0.0013","8.5259","0.0008","13.3359","0.0012","90","","108.729","0.006","90","","1286","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H17 B10 N -","- C6 H17 B10 N -","- C24 H68 B40 N4 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1208","0.0768","","","0.2184","0.2534","","","","","","1.065","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548700","8.9977","0.0004","9.8055","0.0005","11.2475","0.0007","87.61","0.002","66.4692","0.0016","73.9029","0.0015","871.46","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 B10 N -","- C14 H19 B10 N -","- C28 H38 B20 N2 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.0928","0.0702","","","0.2005","0.2136","","","","","","1.185","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548701","11.9668","0.0012","12.4954","0.0012","14.9348","0.0015","87.27","0.006","75.356","0.006","88.638","0.006","2158","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H67 B10 Li O10 -","- C36 H67 B10 Li O10 -","- C72 H134 B20 Li2 O20 -","2","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1902","0.1105","","","0.2813","0.3299","","","","","","1.055","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548702","9.769","0.003","13.123","0.003","10.039","0.003","90","","114.345","0.003","90","","1172.5","0.6","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C58 H50 N2 O6 S2 -","2","1","","Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao","Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines.","Chemical science","2018","9","7","1831","1835","10.1039/c7sc04515h","","","0.71073","MoKα","","0.0433","0.0413","","","0.0895","0.0909","","","","","","1.096","","","","has coordinates","228792","2020-10-21","18:00:00",""
"1548703","9.917","0.002","10.983","0.003","16.365","0.003","98.138","0.009","92.42","0.009","105.842","0.009","1691.4","0.7","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C29 H26 F12 Fe N8 O2 P2 -","- C29 H26 F12 Fe N8 O2 P2 -","- C58 H52 F24 Fe2 N16 O4 P4 -","2","1","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0386","0.0341","","","0.0841","0.0863","","","","","","1.065","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548704","12.6724","0.0006","16.1107","0.0007","27.71","0.0014","90","","90","","90","","5657.3","0.5","123","","123","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C44 H44 Ag3 F17.96 N16 O2 P3 -","- C44 H44 Ag3 F17.958 N16 O2 P2.993 -","- C176 H176 Ag12 F71.832 N64 O8 P11.972 -","4","1","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0829","0.0575","","","0.1035","0.1126","","","","","","1.085","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548705","8.7083","0.0005","13.7335","0.0007","23.8833","0.0012","90","","91.431","0.003","90","","2855.4","0.3","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F12 Fe N8 O P2 -","- C22 H22 F12 Fe N8 O P2 -","- C88 H88 F48 Fe4 N32 O4 P8 -","4","1","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0922","0.0552","","","0.1294","0.1483","","","","","","1.076","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548706","8.7808","0.0006","14.773","0.0011","15.2524","0.0011","76.461","0.002","87.564","0.002","79.042","0.002","1888.5","0.2","100","","100","","","","","","","","see text","7","P -1","-P 1","2","","","","- C30 H35 F12 Fe N9 O2 P2 -","- C30 H35 F12 Fe N9 O2 P2 -","- C60 H70 F24 Fe2 N18 O4 P4 -","2","1","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0816","0.0706","","","0.1601","0.1658","","","","","","1.131","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548707","11.6283","0.0004","22.8419","0.0009","12.995","0.0005","90","","104.92","0.002","90","","3335.3","0.2","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F24 Fe2 N20 O2 P4 -","- C52 H56 F24 Fe2 N20 O2 P4 -","- C104 H112 F48 Fe4 N40 O4 P8 -","2","0.5","","Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E","Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1857","1867","10.1039/c7dt04774f","","x-ray","0.71073","MoKα","","0.0337","0.0312","","","0.0745","0.0758","","","","","","1.046","","","","has coordinates,has disorder","229586","2020-10-21","18:00:00",""
"1548709","9.8684","0.0008","9.903","0.0008","17.2493","0.0014","90","","90","","90","","1685.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0503","0.0503","","","0.1684","0.1685","","","","","","1.083","","","","has coordinates","205335","2020-10-21","18:00:00",""
"1548710","9.1164","0.0003","10.3428","0.0003","15.9959","0.0005","90","","90","","90","","1508.24","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C64 H100 N4 O16 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0376","0.0376","","","0.094","0.094","","","","","","1.09","","","","has coordinates","205336","2020-10-21","18:00:00",""
"1548711","8.1168","0.0003","9.4717","0.0003","9.3676","0.0003","90","","98.37","0.001","90","","712.51","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0367","0.0367","","","0.0922","0.0922","","","","","","1.123","","","","has coordinates","205337","2020-10-21","18:00:00",""
"1548712","7.958","0.0005","9.836","0.0006","17.12","0.0011","90","","90","","90","","1340.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.1615","0.1019","","","0.2698","0.3482","","","","","","1.194","","","","has coordinates","205338","2020-10-21","18:00:00",""
"1548721","3.963","0.003","5.849","0.005","27.67","0.03","90","","91.654","0.012","90","","641.1","1","173","2","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H5 Br2 F2 N S -","- C13 H5 Br2 F2 N S -","- C26 H10 Br4 F4 N2 S2 -","2","1","","Lin, Zuzhang; Liu, Xiaotong; Zhang, Weifeng; Huang, Jianyao; Wang, Qiang; Shi, Keli; Chen, Zhihui; Zhou, Yankai; Wang, Liping; Yu, Gui","Cyanostyrylthiophene-Based Ambipolar Conjugated Polymers: Synthesis, Properties, and Analyses of Backbone Fluorination Effect","Macromolecules","2018","51","3","966","","10.1021/acs.macromol.7b02401","","","0.71073","MoKα","","0.0391","0.037","","","0.0916","0.0944","","","","","","1.083","","","","has coordinates","227641","2020-10-21","18:00:00",""
"1548722","8.6681","0.0006","10.3977","0.0007","11.4123","0.0008","90","","90","","90","","1028.57","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P -","- C12 H15 O P -","- C48 H60 O4 P4 -","4","1","","Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun","Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.","Chemical science","2018","9","7","1867","1872","10.1039/c7sc04381c","","","1.54178","CuKα","","0.0254","0.0252","","","0.0609","0.0612","","","","","","1.134","","","","has coordinates","228784","2020-10-21","18:00:00",""
"1548723","8.2245","0.0016","17.776","0.004","10.845","0.002","90","","109.79","0.03","90","","1491.9","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","1","","- C26 H49 O3 Sc Si2 -","- C26 H49 O3 Sc Si2 -","- C52 H98 O6 Sc2 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0501","0.0484","","","0.1156","0.1171","","","","","","1.05","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548724","8.2286","0.0016","17.857","0.004","10.889","0.002","90","","109.76","0.03","90","","1505.8","0.6","153","2","153.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","3","","- C26 H49 Lu O3 Si2 -","- C26 H49 Lu O3 Si2 -","- C52 H98 Lu2 O6 Si4 -","2","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0402","0.0389","","","0.0913","0.0939","","","","","","1.062","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548725","13.3321","0.0006","15.5971","0.0007","16.0371","0.0007","90","","104.67","0.001","90","","3226.1","0.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6","","- C28 H53 Lu O3 Si2 -","- C28 H53 Lu O3 Si2 -","- C112 H212 Lu4 O12 Si8 -","4","1","","Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang","Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents","Polymer Chemistry","2018","9","8","984","","10.1039/C8PY00007G","","","0.71073","MoKα","","0.0282","0.0233","","","0.0606","0.0623","","","","","","1.13","","","","has coordinates,has disorder","230957","2020-10-21","18:00:00",""
"1548726","11.172","0.007","8.532","0.005","16.287","0.014","90","","106.54","0.03","90","","1488.2","1.8","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(-2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","1-(2-Isopropyl-4,7-dimethyl-3-nitronaphthalen-1-yl)ethanone","IUCrData","2018","3","1","x180083","","10.1107/S2414314618000834","","","0.71073","MoKα","","0.0459","0.0415","","","0.1222","0.1266","","","","","","1.081","","","","has coordinates,has Fobs","205433","2020-10-21","18:00:00",""
"1548727","7.57","0.002","10.206","0.003","11.549","0.004","113.4","0.002","90.01","0.003","108.607","0.003","767.8","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","Bis(4,6-dimethyldibenzothiophene) 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","Bis[6,10-dimethyl-8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2,4,6,10,12-hexaene] 2-[4-(dicyanomethylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-dien-1-ylidene]propanedinitrile","","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","- C40 H24 F4 N4 S2 -","1","0.5","IS4022","Fujii, Takuya; Yamakado, Hideo","The 2:1 charge-transfer complex of 4,6-dimethyldibenzothiophene and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane","IUCrData","2018","3","1","x180077","","10.1107/S2414314618000779","","","0.71075","MoKα","","0.041","0.0345","","","0.0871","0.0914","","","","","","1.034","","","","has coordinates,has Fobs","205434","2020-10-21","18:00:00",""
"1548728","3.7363","0.0002","7.0071","0.0003","12.5877","0.0006","90","","94.8144","0.0016","90","","328.39","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","meta-nitrobenzaldehyde m-nitrobenzaldehyde","3-Nitrobenzaldehyde","","- C7 H5 N O3 -","- C7 H5 N O3 -","- C14 H10 N2 O6 -","2","1","HB4202","Engwerda, Antonius H.J.; Brugman, Sander J.T.; Tinnemans, Paul; Vlieg, Elias","3-Nitrobenzaldehyde","IUCrData","2018","3","1","x180092","","10.1107/S2414314618000925","","","0.71073","MoKα","","0.0337","0.0299","","","0.0863","0.089","","","","","","1.051","","","","has coordinates,has Fobs","205435","2020-10-21","18:00:00",""
"1548729","18.3427","0.0014","13.5855","0.001","16.9385","0.0012","90","","110.393","0.009","90","","3956.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","","- C71 H71 N33 O S8 -","- C71 H71 N33 O S8 -","- C142 H142 N66 O2 S16 -","2","0.5","HB4203","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-({6-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]imidazo[2,1-<i>b</i>]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate","IUCrData","2018","3","1","x180087","","10.1107/S2414314618000871","","","0.71073","MoKα","","0.124","0.0639","","","0.1459","0.181","","","","","","1.042","","","","has coordinates,has Fobs","205436","2020-10-21","18:00:00",""
"1548730","15.0387","0.0012","6.8105","0.0003","24.385","0.002","90","","106.473","0.008","90","","2395","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C27 H20 Br N5 O -","- C27 H20 Br N5 O -","- C108 H80 Br4 N20 O4 -","4","1","ZL4022","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","IUCrData","2018","3","1","x180069","","10.1107/S241431461800069X","","","0.71073","MoKα","","0.1264","0.0566","","","0.1492","0.1878","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","205437","2020-10-21","18:00:00",""
"1548731","10.4355","0.0004","8.6955","0.0004","25.7106","0.0009","90","","95.42","0.003","90","","2322.6","0.16","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","","- C14 H10 O2 S -","- C14 H10 O2 S -","- C112 H80 O16 S8 -","8","2","BX4009","Elumalai, K.; Raja, R.; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.; Murugesan, K. Sakthi","(<i>E</i>)-2-(3-Oxo-3-phenylprop-1-enyl)thiophene-3-carbaldehyde","IUCrData","2018","3","1","x180041","","10.1107/S241431461800041X","","","0.71073","MoKα","","0.0614","0.042","","","0.1052","0.116","","","","","","1.04","","","","has coordinates,has Fobs","205438","2020-10-21","18:00:00",""
"1548732","9.6865","0.0002","11.9018","0.0003","13.746","0.0004","90","","104.952","0.003","90","","1531.08","0.07","103.2","","103.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H38 O12 -","- C33 H38 O12 -","- C66 H76 O24 -","2","1","","Chen, Fang-You; Li, Chuang-Jun; Ma, Jie; Zhou, Jian; Li, Li; Zhang, Zhao; Chen, Nai-Hong; Zhang, Dong-Ming","Neuroprotective Dihydroagarofuran Sesquiterpene Derivatives from the Leaves of Tripterygium wilfordii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00615","","","1.5418","CuKα","","0.0365","0.0354","","","0.0903","0.0916","","","","","","1.033","","","","has coordinates","205458","2020-10-21","18:00:00",""
"1548733","10.527","0.0015","9.3108","0.0005","15.753","0.002","90","","102.012","0.013","90","","1510.2","0.3","106.4","","106.4","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O12 -","- C32 H37 N O12 -","- C64 H74 N2 O24 -","2","1","","Chen, Fang-You; Li, Chuang-Jun; Ma, Jie; Zhou, Jian; Li, Li; Zhang, Zhao; Chen, Nai-Hong; Zhang, Dong-Ming","Neuroprotective Dihydroagarofuran Sesquiterpene Derivatives from the Leaves of Tripterygium wilfordii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00615","","","1.5418","CuKα","","0.0429","0.0406","","","0.1069","0.1097","","","","","","1.026","","","","has coordinates","205459","2020-10-21","18:00:00",""
"1548734","33.1071","0.0012","15.2483","0.0005","22.7605","0.0007","90","","125.449","0.0009","90","","9360.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H76 Cl12 P4 Pt2 -","- C98 H76 Cl12 P4 Pt2 -","- C392 H304 Cl48 P16 Pt8 -","4","0.5","","Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio","Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers","Macromolecules","2018","51","3","815","","10.1021/acs.macromol.7b02249","","","0.71075","MoKα","","0.0503","0.044","","","0.1143","0.1198","","","","","","1.042","","","","has coordinates","227643","2020-10-21","18:00:00",""
"1548735","11.7439","0.0004","21.9784","0.0007","18.2415","0.0006","90","","103.062","0.001","90","","4586.5","0.3","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl6 P2 Pt -","- C49 H38 Cl6 P2 Pt -","- C196 H152 Cl24 P8 Pt4 -","4","1","","Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio","Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers","Macromolecules","2018","51","3","815","","10.1021/acs.macromol.7b02249","","","0.71075","MoKα","","0.0388","0.0301","","","0.0672","0.0712","","","","","","1.078","","","","has coordinates","227643","2020-10-21","18:00:00",""
"1548736","15.4548","0.0005","13.1059","0.0004","21.7612","0.0006","90","","92.1109","0.001","90","","4404.7","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cl4 P2 Pt -","- C48 H36 Cl4 P2 Pt -","- C192 H144 Cl16 P8 Pt4 -","4","1","","Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio","Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers","Macromolecules","2018","51","3","815","","10.1021/acs.macromol.7b02249","","","0.71075","MoKα","","0.0392","0.0313","","","0.0745","0.0783","","","","","","1.051","","","","has coordinates","227643","2020-10-21","18:00:00",""
"1548737","9.5747","0.0003","10.0025","0.0003","14.5919","0.0004","75.3868","0.0007","73.7957","0.0008","81.3096","0.0009","1293.65","0.07","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","1","0.5","","Miyagi, Yu; Ishida, Takahiro; Marumoto, Manabu; Sano, Natsuhiro; Yajima, Tatsuo; Sanda, Fumio","Ligand Exchange Reaction for Controlling the Conformation of Platinum-Containing Polymers","Macromolecules","2018","51","3","815","","10.1021/acs.macromol.7b02249","","","0.71075","MoKα","","0.0258","0.0257","","","0.0619","0.062","","","","","","1.038","","","","has coordinates","227643","2020-10-21","18:00:00",""
"1548738","14.6048","0.0015","7.4486","0.0004","9.5237","0.0005","90","","90","","90","","1036.04","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0573","0.0424","","","0.0977","0.1197","","","","","","1.187","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548739","14.7295","0.0011","7.3639","0.0003","9.5828","0.0004","90","","90","","90","","1039.41","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0676","0.0497","","","0.1216","0.1486","","","","","","1.113","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548740","14.7688","0.001","7.3395","0.0003","9.5973","0.0004","90","","90","","90","","1040.31","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0744","0.0551","","","0.1495","0.1859","","","","","","1.159","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548741","14.5868","0.0013","7.4684","0.0003","9.513","0.0005","90","","90","","90","","1036.35","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0819","0.0587","","","0.1418","0.1736","","","","","","1.139","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548742","14.471","0.0009","7.5428","0.0003","9.4556","0.0005","90","","90","","90","","1032.1","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0631","0.0486","","","0.1182","0.1451","","","","","","1.202","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548743","14.7589","0.0012","7.348","0.0003","9.5909","0.0004","90","","90","","90","","1040.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0764","0.0568","","","0.1436","0.1891","","","","","","1.132","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548744","14.5467","0.0012","7.4933","0.0004","9.4931","0.0005","90","","90","","90","","1034.77","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0761","0.0562","","","0.1391","0.1707","","","","","","1.134","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548745","14.6615","0.0014","7.4138","0.0004","9.5536","0.0005","90","","90","","90","","1038.45","0.13","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.064","0.0463","","","0.1094","0.1321","","","","","","1.121","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548746","14.7005","0.0012","7.3877","0.0003","9.5676","0.0005","90","","90","","90","","1039.07","0.11","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0723","0.0514","","","0.1235","0.1517","","","","","","1.073","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548747","14.6166","0.0011","7.4465","0.0003","9.5286","0.0005","90","","90","","90","","1037.12","0.1","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0756","0.0564","","","0.1381","0.1676","","","","","","1.133","","","","has coordinates,has disorder","228679","2020-10-21","18:00:00",""
"1548748","14.4836","0.0012","7.5409","0.0004","9.4574","0.0005","90","","90","","90","","1032.93","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitrito-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0725","0.055","","","0.1457","0.1751","","","","","","1.144","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548749","14.8308","0.0013","7.2957","0.0004","9.6188","0.0005","90","","90","","90","","1040.76","0.12","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","nitro-pentaammine-Co(III)-chloride-nitrate","","","- Cl Co H15 N7 O5 -","- Cl Co H15 N7 O5 -","- Cl4 Co4 H60 N28 O20 -","4","0.5","","Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena","Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.","Chemical science","2018","9","8","2319","2335","10.1039/c7sc04863g","","","0.4109","","","0.0681","0.0485","","","0.1191","0.1495","","","","","","1.165","","","","has coordinates","228679","2020-10-21","18:00:00",""
"1548750","26.79861","0.0002","26.79861","0.0002","26.79861","0.0002","90","","90","","90","","19245.8","0.2","293","","293","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C79.511 N0 O30.762 Pd0.546 Zr6 -","- C79.5 O30.72 Pd0.552 Zr6 -","- C318 O122.88 Pd2.208 Zr24 -","4","0.0208333","","Bugaev, A. L.; Guda, Alexander A.; Lomachenko, Kirill A.; Kamyshova, Elizaveta G.; Soldatov, Mikhail A.; Kaur, Gurpreet; Øien-Ødegaard, Sigurd; Braglia, Luca; Lazzarini, Andrea; Manzoli, Maela; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl P.; Soldatov, Alexander V.; Lamberti, Carlo","Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons.","Faraday discussions","2018","208","0","287","306","10.1039/c7fd00224f","powder diffraction","x-ray","0.51353","","","0.0381","0.0378","","0.0583","0.0583","","","","15.28","","","","","","","has coordinates","230084","2020-10-21","18:00:00",""
"1548751","19.791","0.019","17.344","0.016","7.941","0.007","90","","90","","90","","2726","4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H24 N4 O5 -","- C26 H24 N4 O5 -","- C104 H96 N16 O20 -","4","0.5","","He, Haihong; Ye, Zhiwei; Xiao, Yi; Yang, Wei; Qian, Xuhong; Yang, Youjun","Super-Resolution Monitoring of Mitochondrial Dynamics upon Time-Gated Photo-Triggered Release of Nitric Oxide.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b04510","","","0.71073","MoKα","","0.1093","0.0697","","","0.1864","0.2078","","","","","","1.032","","","","has coordinates,has disorder","205501","2020-10-21","18:00:00",""
"1548752","24.8934","0.0003","13.45834","0.00018","18.5282","0.0003","90","","90","","90","","6207.39","0.15","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C34 H33 F4 Mg N3 -","- C34 H33 F4 Mg N3 -","- C272 H264 F32 Mg8 N24 -","8","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0513","0.0414","","","0.0987","0.1073","","","","","","1.027","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548753","11.7887","0.0007","12.0703","0.0006","21.6822","0.0007","80.152","0.003","74.593","0.004","66.945","0.005","2729","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.5 H81 Mg N4 Zn -","- C58.5 H81 Mg N4 Zn -","- C117 H162 Mg2 N8 Zn2 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0636","0.046","","","0.0986","0.1071","","","","","","1.028","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548754","14.5708","0.0008","14.6964","0.0008","18.2421","0.0007","91.379","0.004","93.348","0.004","91.651","0.004","3896.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H115 F3 Mg3 N6 -","- C81 H115 F3 Mg3 N6 -","- C162 H230 F6 Mg6 N12 -","2","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0831","0.049","","","0.1137","0.1262","","","","","","0.876","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548755","11.8799","0.0007","16.0457","0.0008","17.2413","0.0008","83.738","0.004","85.661","0.004","88.935","0.004","3257.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H36.5 F4 Mg N3 -","- C35.5 H36.5 F4 Mg N3 -","- C142 H146 F16 Mg4 N12 -","4","2","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0996","0.064","","","0.1646","0.2005","","","","","","1.007","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548756","10.18598","0.00012","24.1833","0.0003","23.1663","0.0003","90","","99.0832","0.0012","90","","5635.01","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H84 Mg N6 Zn -","- C59 H84 Mg N6 Zn -","- C236 H336 Mg4 N24 Zn4 -","4","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0391","0.0329","","","0.0861","0.0907","","","","","","1.048","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548757","13.4443","0.0003","8.2978","0.0002","19.6313","0.0005","90","","102.544","0.002","90","","2137.75","0.09","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H58 Mg N4 Zn -","- C46 H58 Mg N4 Zn -","- C92 H116 Mg2 N8 Zn2 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0541","0.0402","","","0.1018","0.1132","","","","","","1.017","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548758","15.6052","0.0004","24.2499","0.0005","23.5838","0.0005","90","","102.23","0.002","90","","8722.1","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46.5 H56 F4 N3 Zn -","- C46.5 H56 F4 N3 Zn -","- C372 H448 F32 N24 Zn8 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0667","0.0442","","","0.1208","0.1384","","","","","","1.046","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548759","12.3877","0.0006","22.4084","0.001","19.0461","0.0007","90","","90.149","0.004","90","","5287","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H78 Mg N4 O Zn -","- C56 H78 Mg N4 O Zn -","- C224 H312 Mg4 N16 O4 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","0.71073","MoKα","","0.0693","0.0462","","","0.1058","0.1178","","","","","","1.031","","","","has coordinates,has disorder","228675","2020-10-21","18:00:00",""
"1548760","21.9257","0.0003","15.7003","0.0002","37.0659","0.0006","90","","97.8995","0.0014","90","","12638.5","0.3","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C65 H99 Al Mg N4 -","- C59 H85 Al Mg N4 -","- C472 H680 Al8 Mg8 N32 -","8","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0444","0.0377","","","0.1016","0.1075","","","","","","1.042","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548761","12.7429","0.0002","17.3446","0.0004","13.026","0.0003","90","","101.313","0.002","90","","2823.07","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H82 N4 Zn3 -","- C58 H82 N4 Zn3 -","- C116 H164 N8 Zn6 -","2","0.5","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.0571","0.0382","","","0.0858","0.0984","","","","","","1.023","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548762","13.75991","0.00019","13.8927","0.0002","26.733","0.0004","90","","90","","90","","5110.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H75 Al N4 Zn -","- C54 H75 Al N4 Zn -","- C216 H300 Al4 N16 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.043","0.0352","","","0.0812","0.0867","","","","","","1.014","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548767","5.18407","0.00015","8.7085","0.0003","29.2276","0.0008","90","","90","","90","","1319.49","0.07","130.01","0.1","130.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Sadgrove, Nicholas J.; Klepp, Julian; Legendre, Sarah V.A.-M.; Lyddiard, Dane; Sumby, Christopher J.; Greatrex, Ben W.","Revision of the Phytochemistry of Eremophila sturtii and E. mitchellii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00616","","x-ray","1.54184","CuKα","","0.0407","0.035","","","0.0828","0.0858","","","","","","1.031","","","","has coordinates","205590","2020-10-21","18:00:00",""
"1548768","7.8987","0.0003","11.4701","0.0007","15.1331","0.0007","90","","90","","90","","1371.04","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Sadgrove, Nicholas J.; Klepp, Julian; Legendre, Sarah V.A.-M.; Lyddiard, Dane; Sumby, Christopher J.; Greatrex, Ben W.","Revision of the Phytochemistry of Eremophila sturtii and E. mitchellii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00616","","x-ray","0.71073","MoKα","","0.0858","0.0571","","","0.1167","0.1303","","","","","","1.057","","","","has coordinates","205591","2020-10-21","18:00:00",""
"1548769","6.9832","0.0006","8.5007","0.0007","26.483","0.002","90","","90","","90","","1572.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M.","Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols.","Chemical science","2018","9","9","2547","2551","10.1039/c7sc05216b","","","1.54178","CuKα","","0.0278","0.026","","","0.0656","0.0664","","","","","","1.06","","","","has coordinates","228795","2020-10-21","18:00:00",""
"1548770","8.7015","0.0013","14.84","0.003","14.86","0.003","90","","105.517","0.0015","90","","1848.9","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(3,5-dichloro-4-pyridyl)(2,4,6-trichlorophenyl)methyl radical","","- C17 H6 Cl7 N2 -","- C17 H6 Cl7 N2 -","- C68 H24 Cl28 N8 -","4","1","","Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi","A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes.","Chemical science","2018","9","7","1996","2007","10.1039/c7sc04034b","","","0.7107","MoKα","","","0.0344","","","","0.0888","","","","","","1.062","","","","has coordinates","228790","2020-10-21","18:00:00",""
"1548771","6.0501","0.0009","13.625","0.002","13.7","0.003","112.682","0.016","97.805","0.015","92.55","0.012","1026.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O9 Sm -","- C19 H17 N O9 Sm -","- C38 H34 N2 O18 Sm2 -","2","1","","Zhang, Xiaolei; Zhan, Zhiying; Liang, Xiaoyu; Chen, Chen; Liu, Xiaoli; Jia, YueJiao; Hu, Ming","Lanthanide-MOFs constructed from mixed dicarboxylate ligands as selective multi-responsive luminescent sensors.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3272","3282","10.1039/c7dt02966g","","","1.54184","CuKα","","0.1258","0.079","","","0.1671","0.2071","","","","","","1.017","","","","has coordinates,has disorder","229239","2020-10-21","18:00:00",""
"1548772","6.0069","0.001","13.694","0.002","13.732","0.002","112.299","0.002","91.789","0.002","98.976","0.002","1027.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Gd N O9 -","- C19 H17 Gd N O9 -","- C38 H34 Gd2 N2 O18 -","2","1","","Zhang, Xiaolei; Zhan, Zhiying; Liang, Xiaoyu; Chen, Chen; Liu, Xiaoli; Jia, YueJiao; Hu, Ming","Lanthanide-MOFs constructed from mixed dicarboxylate ligands as selective multi-responsive luminescent sensors.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3272","3282","10.1039/c7dt02966g","","","0.71073","MoKα","","0.0331","0.0303","","","0.082","0.0836","","","","","","1.126","","","","has coordinates,has disorder","229239","2020-10-21","18:00:00",""
"1548773","6.0198","0.0007","13.6689","0.0017","13.6699","0.0017","112.195","0.012","92.182","0.01","98.036","0.011","1026.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Eu N O9 -","- C19 H16.997 Eu N O9 -","- C38 H33.994 Eu2 N2 O18 -","2","1","","Zhang, Xiaolei; Zhan, Zhiying; Liang, Xiaoyu; Chen, Chen; Liu, Xiaoli; Jia, YueJiao; Hu, Ming","Lanthanide-MOFs constructed from mixed dicarboxylate ligands as selective multi-responsive luminescent sensors.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3272","3282","10.1039/c7dt02966g","","","1.54184","CuKα","","0.0937","0.0707","","","0.1642","0.1851","","","","","","1.022","","","","has coordinates,has disorder","229239","2020-10-21","18:00:00",""
"1548774","5.965","0.0004","13.6324","0.0011","13.732","0.0009","111.858","0.007","91.543","0.005","98.856","0.006","1019.69","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Dy N O9 -","- C19 H17 Dy N O9 -","- C38 H34 Dy2 N2 O18 -","2","1","","Zhang, Xiaolei; Zhan, Zhiying; Liang, Xiaoyu; Chen, Chen; Liu, Xiaoli; Jia, YueJiao; Hu, Ming","Lanthanide-MOFs constructed from mixed dicarboxylate ligands as selective multi-responsive luminescent sensors.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3272","3282","10.1039/c7dt02966g","","","1.54184","CuKα","","0.0794","0.0647","","","0.1701","0.1824","","","","","","1.049","","","","has coordinates,has disorder","229239","2020-10-21","18:00:00",""
"1548775","5.9813","0.0005","13.6544","0.0016","13.761","0.0013","111.815","0.01","91.528","0.007","98.989","0.008","1026.17","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O9 Tb -","- C19 H17 N O9 Tb -","- C38 H34 N2 O18 Tb2 -","2","1","","Zhang, Xiaolei; Zhan, Zhiying; Liang, Xiaoyu; Chen, Chen; Liu, Xiaoli; Jia, YueJiao; Hu, Ming","Lanthanide-MOFs constructed from mixed dicarboxylate ligands as selective multi-responsive luminescent sensors.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3272","3282","10.1039/c7dt02966g","","","1.54184","CuKα","","0.0997","0.0754","","","0.1956","0.2376","","","","","","1.03","","","","has coordinates,has disorder","229239","2020-10-21","18:00:00",""
"1548776","9.4366","0.0001","10.2859","0.0001","17.2936","0.0002","90","","93.2219","0.0004","90","","1675.93","0.03","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N5 O2 Zn -","- C17 H13 N5 O2 Zn -","- C68 H52 N20 O8 Zn4 -","4","1","","Shaowei Zhang; Yong Zhang; Shigang Ning; Ruiren Tang; Zilong Tang; Yuan Xie","A 3D supramolecular network as highly selective and sensitive luminescent sensor for PO43- and Cu2+ ions in aqueous media","Dyes and Pigments","2018","150","","36","43","10.1016/j.dyepig.2017.11.008","","","0.71073","MoKα","","0.0296","0.0247","","","0.0569","0.0598","","","","","","1.035","","","","has coordinates,has disorder","205630","2020-10-21","18:00:00",""
"1548784","12.6797","0.0003","13.5123","0.0004","23.948","0.0007","90","","90","","90","","4103.1","0.2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C39.1 H24.5 Fe3 N2.1 O15.7 -","- C156.4 H98 Fe12 N8.4 O62.8 -","4","1","","Pham, Phuc H.; Doan, Son H.; Tran, Hang T. T.; Nguyen, Ngoc N.; Phan, Anh N. Q.; Le, Ha V.; Tu, Thach N.; Phan, Nam T. S.","A new transformation of coumarins via direct C‒H bond activation utilizing an iron‒organic framework as a recyclable catalyst","Catalysis Science & Technology","2018","8","5","1267","","10.1039/C7CY02139A","","","1.54178","CuKα","","0.1408","0.1027","","","0.243","0.2701","","","","","","1.064","","","","has coordinates","227964","2020-10-21","18:00:00",""
"1548808","15.9714","0.0003","18.4729","0.0004","11.1685","0.0002","90","","92.514","0.002","90","","3291.96","0.11","93","","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-bis[diethylaminomethyl] -6,6'-thiobis[4-t-butylphenol]","","- C34 H56 N2 O2 S -","- C34 H56 N2 O2 S -","- C136 H224 N8 O8 S4 -","4","1","","Yamada, Manabu; Rajiv Gandhi, Muniyappan; Kaneta, Yu; Kimura, Nozomi; Katagiri, Hiroshi","Thiodiphenol-Based n-Dialkylamino Extractants for Selective Platinum Group Metal Separation from Automotive Catalysts","Industrial & Engineering Chemistry Research","2018","","","","","10.1021/acs.iecr.7b05009","","","0.71073","MoKα","","0.0562","0.0476","","","0.1125","0.1182","","","","","","1.032","","","","has coordinates,has disorder","205780","2020-10-21","18:00:00",""
"1548809","3.25","","3.25","","4.48","","90","","90","","120","","40.98","","300","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Manganese hydroxide","Pyrochroite","- H2 Mn O2 -","- H2 Mn O2 -","- H2 Mn O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","205789","2020-10-21","18:00:00",""
"1548810","3.186","0.001","3.186","0.001","4.653","0.001","90","","90","","120","","40.9","0.02","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Cobalt hydroxide","","- Co H2 O2 -","- Co H2 O2 -","- Co H2 O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","205790","2020-10-21","18:00:00",""
"1548811","3.1268","0.0001","3.1268","0.0001","4.606","0.0001","90","","90","","120","","38.999","0.002","293","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Nickel dihydroxide - beta","","- H2 Ni O2 -","- H2 Ni O2 -","- H2 Ni O2 -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","205791","2020-10-21","18:00:00",""
"1548812","7.09","0.09","10.49","0.07","8.46","0.06","90","","107.6","0.2","90","","600","10","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tripotassium hexacyanomanganate(III)","","- C6 K3 Mn N6 -","- C6 K3 Mn N6 -","- C12 K6 Mn2 N12 -","2","0.5","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.1193","","","","","","","","","","","","","","","has coordinates","205792","2020-10-21","18:00:00",""
"1548813","6.5694","0.0002","8.8057","0.0002","3.2621","0.0001","90","","90","","90","","188.707","0.009","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Cobalt bis(cyanamide)","","- C2 H2 Co N4 -","- C2 H2 Co N4 -","- C4 H4 Co2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.008","","","","","","","","","","","","","","","has coordinates","205793","2020-10-21","18:00:00",""
"1548814","6.457","0.002","8.768","0.003","3.23","0.001","90","","90","","90","","182.87","0.1","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Nickel bis(hydrogencyanamide)","","- C2 H2 N4 Ni -","- C2 H2 N4 Ni -","- C4 H4 N8 Ni2 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","205794","2020-10-21","18:00:00",""
"1548815","6.6655","0.0007","8.7923","0.0008","3.3304","0.0003","90","","90","","90","","195.18","0.03","293","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Iron(II) bis(carbodiimide)","","- C2 H2 Fe N4 -","- C2 H2 Fe N4 -","- C4 H4 Fe2 N8 -","2","0.25","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.009","","","","","","","","","","","","","","","has coordinates","205795","2020-10-21","18:00:00",""
"1548816","3.536","0.001","3.536","0.001","6.004","0.001","90","","90","","120","","65.01","0.03","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Titanium selenide","","- Se2 Ti -","- Se2 Ti -","- Se2 Ti -","1","0.0833333","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","205796","2020-10-21","18:00:00",""
"1548817","4.5051","0.0003","4.5051","0.0003","3.1586","0.0002","90","","90","","90","","64.107","0.007","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Iridium(IV) oxide","","- Ir O2 -","- Ir O2 -","- Ir2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","205797","2020-10-21","18:00:00",""
"1548818","4.4919","0.0008","4.4919","0.0008","3.1066","0.0007","90","","90","","90","","62.68","0.02","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Ruthenium(IV) oxide","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","14","2","670","683","10.1021/acs.jctc.7b01061","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","287642","2023-11-16","09:29:42",""
"1548819","4.5546","0.0001","4.5546","0.0001","2.8528","0.0001","90","","90","","90","","59.18","0.003","373","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Vanadium(IV) oxide - Al-doped","","- O2 V -","- O2 V -","- O4 V2 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","205799","2020-10-21","18:00:00",""
"1548820","4.8473","0.0003","4.8473","0.0003","2.8136","0.0003","90","","90","","90","","66.109","0.009","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Molybdenum(V) oxide","","- Mo O2 -","- Mo O2 -","- Mo2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.0446","","","","","","","","","","","","","","","has coordinates","205800","2020-10-21","18:00:00",""
"1548821","4.8463","0.0001","4.8463","0.0001","3.0315","0.0001","90","","90","","90","","71.2","0.003","1273","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Niobium(IV) oxide - HT","","- Nb O2 -","- Nb O2 -","- Nb2 O4 -","2","0.125","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","205801","2020-10-21","18:00:00",""
"1548822","4.773","0.001","4.773","0.001","15.642","0.001","90","","90","","120","","308.61","0.09","295","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Manganese carbonate","Rhodochrosite","- C Mn O3 -","- C Mn O3 -","- C6 Mn6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","51","","929","939","10.1021/acs.jctc.7b01061","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1548823","4.6117","0.0005","4.6117","0.0005","14.735","0.002","90","","90","","120","","271.4","0.06","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","Nickel carbonate","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","42","","4","5","10.1021/acs.jctc.7b01061","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1548824","4.694","0.001","4.694","0.001","15.43","0.01","90","","90","","120","","294.4","0.2","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Iron carbonate","Siderite","- C Fe O3 -","- C Fe O3 -","- C6 Fe6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","","","","","","","","","","","","","","","","has coordinates","205804","2020-10-21","18:00:00",""
"1548825","4.6618","0.0005","4.6618","0.0005","14.963","0.002","90","","90","","120","","281.62","0.06","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Cobalt carbonate","Sphaerocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Zhao, Qing; Kulik, Heather J.","Where Does the Density Localize in the Solid State? Divergent Behavior for Hybrids and DFT+U.","Journal of chemical theory and computation","2018","","","","","10.1021/acs.jctc.7b01061","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","205805","2020-10-21","18:00:00",""
"1548826","10.3211","0.0004","19.696","0.0007","21.463","0.0009","90","","90","","90","","4363.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N3 O3 -","- C21 H17 Br F3 N3 O3 -","- C168 H136 Br8 F24 N24 O24 -","8","2","","Shi, Jun; Gu, Zhengxiang; Jurica, Elizabeth Anne; Wu, Ximao; Haque, Lauren E.; Williams, Kristin N.; Hernandez, Andres S.; Hong, Zhenqiu; Gao, Qi; Dabros, Marta; Davulcu, Akin H.; Mathur, Arvind; Rampulla, Richard A.; Gupta, Arun Kumar; Jayaram, Ramya; Apedo, Atsu; Moore, Douglas B.; Liu, Heng; Kunselman, Lori K.; Brady, Edward J.; Wilkes, Jason J.; Zinker, Bradley A.; Cai, Hong; Shu, Yue-Zhong; Sun, Qin; Dierks, Elizabeth A.; Foster, Kimberly A.; Xu, Carrie; Wang, Tao; Panemangalore, Reshma; Cvijic, Mary Ellen; Xie, Chunshan; Cao, Gary G.; Zhou, Min; Krupinski, John; Whaley, Jean M.; Robl, Jeffrey A.; Ewing, William R.; Ellsworth, Bruce Alan","Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists.","Journal of medicinal chemistry","2018","","","","","10.1021/acs.jmedchem.7b00982","","","1.54178","CuKα","","0.0644","0.0493","","","0.1275","0.1396","","","","","","1.035","","","","has coordinates,has disorder","205806","2020-10-21","18:00:00",""
"1548827","18.2412","0.0002","14.5616","0.0002","23.1101","0.0004","90","","90","","90","","6138.53","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H33 Cl3 Cr N7 O2 -","- C27 H33 Cl3 Cr N7 O2 -","- C216 H264 Cl24 Cr8 N56 O16 -","8","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","0.71073","MoKα","","0.0527","0.0371","","","0.1003","0.1042","","","","","","1.097","","","","has coordinates","227963","2020-10-21","18:00:00",""
"1548828","18.3091","0.0003","11.3311","0.0002","13.9361","0.0002","90","","100.163","0.0016","90","","2845.85","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl3 Cr N7 O2 -","- C25 H33 Cl3 Cr N7 O2 -","- C100 H132 Cl12 Cr4 N28 O8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P.","From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands","Catalysis Science & Technology","2018","8","5","1314","","10.1039/C7CY01896G","","","1.54184","CuKα","","0.0789","0.0633","","","0.1251","0.1294","","","","","","1.15","","","","has coordinates,has disorder","227963","2020-10-21","18:00:00",""
"1548829","24.328","0.002","24.845","0.003","32.217","0.003","67.732","0.003","76.94","0.002","84.496","0.003","17553","3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C260 H338 Au42 S26 -","- C260 H338 Au42 S26 -","- C520 H676 Au84 S52 -","2","1","","Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun","Is the kernel-staples match a key-lock match?","Chemical science","2018","9","9","2437","2442","10.1039/c7sc05019d","","","0.71073","MoKα","","0.1144","0.0619","","","0.1493","0.1764","","","","","","0.976","","","","has coordinates","228796","2020-10-21","18:00:00",""
"1548830","8.7208","0.0004","8.7703","0.0003","9.6278","0.0004","86.035","0.003","80.227","0.003","79.352","0.002","712.65","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","","- C17 H11 Cl N2 O2 -","- C17 H11 Cl N2 O2 -","- C34 H22 Cl2 N4 O4 -","2","1","SJ4155","Baral, Nilofar; Nayak, Sabita; Pal, Satyanarayan; Mohapatra, Seetaram","5-(2-Chlorophenyl)-3-(2<i>H</i>-chromen-3-yl)-1,2,4-oxadiazole","IUCrData","2018","3","1","x180129","","10.1107/S2414314618001293","","","0.71073","MoKα","","0.0684","0.0457","","","0.1222","0.1344","","","","","","1.11","","","","has coordinates,has Fobs","205882","2020-10-21","18:00:00",""
"1548831","6.36","0.0002","11.0807","0.0004","11.5351","0.0004","114.539","0.004","91.465","0.003","93.401","0.003","737.06","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","","- C19 H24 O2 -","- C19 H24 O2 -","- C38 H48 O4 -","2","1","BH4032","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","7-Hydroxyhexacyclo[7.5.1.0^1,7^.0^6,13^.0^8,12^.0^10,14^]pentadecan-15-one-11-spirocyclopentane","IUCrData","2018","3","1","x180090","","10.1107/S2414314618000901","","","0.71073","MoKα","","0.0519","0.0439","","","0.1085","0.1144","","","","","","1.106","","","","has coordinates,has Fobs","205883","2020-10-21","18:00:00",""
"1548832","20.8533","0.0008","9.9698","0.0003","23.4151","0.0008","90","","90","","90","","4868.1","0.3","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","","- C14 H8 N2 S Se -","- C14 H8 N2 S Se -","- C224 H128 N32 S16 Se16 -","16","4","WM4065","Schollmeyer, Dieter; Detert, Heiner","Dibenzo[2,3:6,7]thiepino[4,5-<i>d</i>][1,2,3]selenadiazole","IUCrData","2018","3","1","x180070","","10.1107/S2414314618000706","","","0.71073","MoKα","","0.1285","0.08","","","0.1576","0.189","","","","","","1.161","","","","has coordinates,has disorder,has Fobs","205884","2020-10-21","18:00:00",""
"1548833","4.6368","0.0006","7.8718","0.0009","25.885","0.003","90","","93.657","0.002","90","","942.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H31 Cl O5 -","- C18 H31 Cl O5 -","- C36 H62 Cl2 O10 -","2","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","0.71073","MoKα","","0.0307","0.0275","","","0.0737","0.0811","","","","","","1.133","","","","has coordinates","205918","2020-10-21","18:00:00",""
"1548834","4.668","","9.785","0.0001","41.7773","0.0005","90","","90","","90","","1908.24","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 O7 -","- C18 H34 O7 -","- C72 H136 O28 -","4","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","1.54178","CuKα","","0.028","0.0278","","","0.0742","0.0744","","","","","","1.096","","","","has coordinates","205919","2020-10-21","18:00:00",""
"1548835","12.8609","0.0017","16.719","0.002","8.987","0.0012","90","","99.434","0.003","90","","1906.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Zhang, Wei; Lun, Shichun; Wang, Shu-Huan; Jiang, Xing-Wu; Yang, Fan; Tang, Jie; Manson, Abigail L.; Earl, Ashlee M.; Gunosewoyo, Hendra; Bishai, William R.; Yu, Li-Fang","Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis.","Journal of medicinal chemistry","2018","","","","","10.1021/acs.jmedchem.7b01319","","","0.71073","MoKα","","0.0802","0.0531","","","0.1273","0.1439","","","","","","1.048","","","","has coordinates,has disorder","205920","2020-10-21","18:00:00",""
"1548836","10.752","0.002","34.601","0.004","16.762","0.002","90","","90.48","0.008","90","","6235.7","1.6","93","0.2","93","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H96 O18 -","- C51 H71.5 O21 -","- C204 H286 O84 -","4","2","","May, Daniel S.; Kang, Hahk-Soo; Santarsiero, Bernard D.; Krunic, Aleksej; Shen, Qi; Burdette, Joanna E.; Swanson, Steven M.; Orjala, Jimmy","Ribocyclophanes A‒E, Glycosylated Cyclophanes with Antiproliferative Activity from Two Cultured Terrestrial Cyanobacteria","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00954","","","0.77484","synchrotron","","0.1063","0.0996","","","0.2478","0.2552","","","","","","1.019","","","","has coordinates","205921","2020-10-21","18:00:00",""
"1548837","4.7521","0.0003","25.2432","0.0016","17.1496","0.0011","90","","90.701","0.005","90","","2057.1","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 Br2 O5 -","- C18 H24.0008 Br2 O5 -","- C72 H96.0032 Br8 O20 -","4","2","","Sutour, Sylvain; Therrien, Bruno; von Reuss, Stephan H.; Tomi, Félix","Halogenated C15 Acetogenin Analogues of Obtusallene III from a Laurenciella sp. Collected in Corsica","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00706","","","0.71073","MoKα","","0.139","0.0656","","","0.1318","0.1563","","","","","","1.022","","","","has coordinates,has disorder","205922","2020-10-21","18:00:00",""
"1548838","7.4225","0.0005","16.5812","0.001","21.1102","0.0014","82.789","0.003","85.375","0.003","84.403","0.003","2559.1","0.3","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C18 H26 N4 O6 S -","- C18 H26 N4 O6 S -","- C72 H104 N16 O24 S4 -","4","4","","Lee, Jisun; Joullié, Madeleine M","Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy.","Chemical science","2018","9","9","2432","2436","10.1039/c8sc00234g","","","0.71073","MoKα","","0.0702","0.0659","","","0.167","0.1696","","","","","","1.073","","","","has coordinates","228799","2020-10-21","18:00:00",""
"1548839","9.6006","0.0009","15.4568","0.0016","11.7534","0.0011","90","","93.542","0.009","90","","1740.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Ni0.5 O4 -","- C21 H23 Ni0.5 O4 -","- C84 H92 Ni2 O16 -","4","1","","Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K.","Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation.","Chemical science","2018","9","10","2817","2825","10.1039/c7sc04687a","","x-ray","0.71073","MoKα","","0.07","0.0578","","","0.1575","0.1734","","","","","","1.071","","","","has coordinates","228640","2020-10-21","18:00:00",""
"1548840","12.8152","0.0003","6.29489","0.00013","18.9482","0.0004","90","","108.347","0.0012","90","","1450.85","0.06","296","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","α-<i>D</i>,<i>L</i>-Sorbose","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","IS4024","Taguchi, Hiroaki; Sogo, Kouta; Ishii, Tomohiko; Yoshihara, Akihide; Fukada, Kazuhiro","α-<small>D</small>,<small>L</small>-Sorbose","IUCrData","2018","3","1","x180114","","10.1107/S2414314618001141","","","1.54187","CuKα","","0.0541","0.0442","","","0.1128","0.1203","","","","","","1.08","","","","has coordinates,has Fobs","206011","2020-10-21","18:00:00",""
"1548841","15.1185","0.0014","11.0273","0.0009","24.141","0.002","90","","90","","90","","4024.7","0.6","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C24 H26 O4 -","- C24 H26 O4 -","- C192 H208 O32 -","8","1","IS5489","Kalaivanan, R.; Sughanya, V.; Sureshbabu, N.","9-(4-Formylphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","IUCrData","2018","3","1","x180105","","10.1107/S2414314618001050","","","0.71073","MoKα","","0.1112","0.0409","","","0.0943","0.14","","","","","","1.116","","","","has coordinates,has Fobs","206012","2020-10-21","18:00:00",""
"1548842","19.2666","0.001","9.7769","0.0004","20.3265","0.0012","90","","94.423","0.005","90","","3817.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","","- C23 H15 N3 O S -","- C23 H15 N3 O S -","- C184 H120 N24 O8 S8 -","8","2","IS4023","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1<i>H</i>-pyrazol-4-yl]acrylonitrile","IUCrData","2018","3","1","x180171","","10.1107/S2414314618001712","","","0.71073","MoKα","","0.1263","0.057","","","0.1246","0.1669","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","206013","2020-10-21","18:00:00",""
"1548843","4.489","0.0019","19.77","0.008","13.308","0.006","90","","93.608","0.006","90","","1178.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-6-nitro-2<i>H</i>-indazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","HB4206","Mohamed Abdelahi, Mohamed Mokhtar; El Bakri, Youness; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","2-Benzyl-6-nitro-2<i>H</i>-indazole","IUCrData","2018","3","1","x180151","","10.1107/S2414314618001517","","","0.71073","MoKα","","0.0826","0.0594","","","0.1426","0.1498","","","","","","0.959","","","","has coordinates,has Fobs","206014","2020-10-21","18:00:00",""
"1548844","6.7656","0.0005","10.4687","0.0009","23.6305","0.0017","90","","91.552","0.005","90","","1673.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O5 -","- C18 H17 N3 O5 -","- C72 H68 N12 O20 -","4","1","","Dhara, Koushik; Lohar, Somenath; Patra, Ayan; Roy, Priya; Saha, Swadhin Kumar; Sadhukhan, Gobinda Chandra; Chattopadhyay, Pabitra","A New Lysosome Targetable Turn-On Fluorogenic Probe for Carbon Monoxide Imaging in Living Cells.","Analytical chemistry","2018","","","","","10.1021/acs.analchem.7b05331","","","0.71073","MoKα","","0.2019","0.0485","","","0.1245","0.2074","","","","","","0.814","","","","has coordinates","206044","2020-10-21","18:00:00",""
"1548845","12.4709","0.0003","8.2509","0.0002","20.2761","0.0007","90","","91.312","0.002","90","","2085.79","0.1","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F3 Li N4 O6 -","- C16 H22 F3 Li N4 O6 -","- C64 H88 F12 Li4 N16 O24 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.0587","0.0445","","","0.102","0.1109","","","","","","1.026","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548846","14.2835","0.0003","17.9913","0.0004","18.1462","0.0004","90","","90","","90","","4663.19","0.18","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 F6 Li2 N8 O15 -","- C36 H54 F6 Li2 N8 O15 -","- C144 H216 F24 Li8 N32 O60 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.0492","0.0372","","","0.0757","0.0815","","","","","","1.046","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548847","19.704","0.0002","13.9512","0.0001","26.6779","0.0003","90","","90","","90","","7333.61","0.12","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F9 Li3 N12 O5 -","- C26 H22 F9 Li3 N12 O5 -","- C208 H176 F72 Li24 N96 O40 -","8","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","1.54184","CuKα","","0.053","0.0459","","","0.1204","0.1284","","","","","","1.026","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548848","6.9332","0.0004","9.311","0.0005","15.6864","0.0008","90","","91.59","0.005","90","","1012.25","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 F3 Li N4 O3 -","- C6 H6 F3 Li N4 O3 -","- C24 H24 F12 Li4 N16 O12 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","1.54184","CuKα","","0.0583","0.0535","","","0.1423","0.148","","","","","","1.047","","","","has coordinates","206065","2020-10-21","18:00:00",""
"1548849","9.0805","0.0012","6.7141","0.0006","18.9826","0.0018","90","","91.321","0.009","90","","1157","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 F3 Li N4 O4 -","- C6 H8 F3 Li N4 O4 -","- C24 H32 F12 Li4 N16 O16 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.0621","0.0438","","","0.1333","0.1392","","","","","","1.075","","","","has coordinates","206065","2020-10-21","18:00:00",""
"1548850","7.3838","0.0005","8.5505","0.0005","9.9562","0.0006","112.61","0.006","109.205","0.006","93.78","0.005","534.47","0.07","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 F6 Li2 N8 O6 -","- C12 H12 F6 Li2 N8 O6 -","- C12 H12 F6 Li2 N8 O6 -","1","0.5","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","1.54184","CuKα","","0.0417","0.0385","","","0.1054","0.1084","","","","","","1.05","","","","has coordinates","206065","2020-10-21","18:00:00",""
"1548851","8.5247","0.0004","10.0929","0.0004","15.4277","0.0008","102.766","0.004","99.27","0.004","98.81","0.004","1252.86","0.11","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F6 Li2 N8 O4 -","- C18 H16 F6 Li2 N8 O4 -","- C36 H32 F12 Li4 N16 O8 -","2","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.0386","0.032","","","0.0758","0.0799","","","","","","1.039","","","","has coordinates","206065","2020-10-21","18:00:00",""
"1548852","8.653","0.014","18.007","0.005","16.68","0.04","90","","91.5","0.3","90","","2598","8","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F6 Li2 N8 O6 -","- C16 H18 F6 Li2 N8 O6 -","- C64 H72 F24 Li8 N32 O24 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.138","0.1287","","","0.4384","0.4439","","","","","","2.045","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548853","7.4148","0.0001","10.3516","0.0003","14.6348","0.0003","82.054","0.008","79.877","0.007","73.007","0.007","1053.02","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C46 H52 N4 O4 S4 -","2","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0324","0.0287","","","0.0796","0.0816","","","","","","1.101","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548854","10.7685","0.0017","14.2394","0.0019","16.386","0.003","90","","108.759","0.0019","90","","2379.1","0.7","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 N2 O2 S2 -","- C25 H30 N2 O2 S2 -","- C100 H120 N8 O8 S8 -","4","1","","Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro","Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold.","Chemical science","2018","9","10","2666","2673","10.1039/c8sc00066b","","","0.71075","MoKα","","0.0388","0.0342","","","0.0832","0.0865","","","","","","1.023","","","","has coordinates","228638","2020-10-21","18:00:00",""
"1548855","19.559","0.003","19.559","0.003","41.863","0.006","90","","90","","120","","13869","4","173","2","173","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C225 H333 Al9 N18 O18 -","- C225 H331.5 Al9 N18 O18 -","- C450 H663 Al18 N36 O36 -","2","0.166667","","Pang, Xuan; Duan, Ranlong; Li, Xiang; Hu, Chenyang; Wang, Xianhong; Chen, Xuesi","Breaking the Paradox between Catalytic Activity and Stereoselectivity: rac-Lactide Polymerization by Trinuclear Salen‒Al Complexes","Macromolecules","2018","51","3","906","","10.1021/acs.macromol.7b02662","","","1.54178","CuKα","","0.1773","0.1508","","","0.365","0.3896","","","","","","1.001","","","","has coordinates,has disorder","227642","2020-10-21","18:00:00",""
"1548856","8.6947","0.0017","17.563","0.004","10.737","0.002","90","","97.361","0.004","90","","1626.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1702","0.1127","","","0.316","0.3594","","","","","","1.115","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548857","14.1565","0.0018","17.917","0.002","14.4208","0.0018","90","","99.826","0.002","90","","3604.1","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N4 O4 -","- C46 H34 N4 O4 -","- C184 H136 N16 O16 -","4","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.0899","0.0569","","","0.1487","0.1833","","","","","","1.035","","","","has coordinates,has disorder","228639","2020-10-21","18:00:00",""
"1548858","11.856","0.007","12.147","0.007","13.446","0.008","102.687","0.008","111.422","0.008","93.005","0.009","1739.8","1.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N4 -","- C46 H34 N4 -","- C92 H68 N8 -","2","1","","Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an","Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells.","Chemical science","2018","9","10","2698","2704","10.1039/c7sc05484j","","","0.71073","MoKα","","0.1331","0.0712","","","0.197","0.2394","","","","","","1.03","","","","has coordinates","228639","2020-10-21","18:00:00",""
"1548860","13.9558","0.0003","15.4622","0.0003","30.6296","0.0006","90","","90","","90","","6609.5","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36.34 N O2.17 P -","- C42 H36.34 N O2.17 P -","- C336 H290.72 N8 O17.36 P8 -","8","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0359","0.0323","","0.0822","0.0789","0.0822","","","","","","0.9994","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548861","11.4023","0.0002","8.446","0.0001","12.168","0.0002","90","","117.387","0.002","90","","1040.49","0.03","150","","150","","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl F6 N -","- C22 H20 Cl F6 N -","- C44 H40 Cl2 F12 N2 -","2","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0365","0.0357","","0.095","0.0937","0.095","","","","","","1.0028","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548862","8.332","0.0001","11.3877","0.0002","22.1875","0.0004","90","","90","","90","","2105.2","0.06","150","","150","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C96 H120 Cl4 N4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0347","0.0317","","0.0852","0.0796","0.0829","","","","","","1.0093","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548863","13.9275","0.0001","18.6673","0.0001","15.2746","0.0001","90","","110.757","0.0008","90","","3713.47","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46.5 H39 Cl N O2 P -","- C46.5 H39 Cl N O2 P -","- C186 H156 Cl4 N4 O8 P4 -","4","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.5418","CuKα","","0.0475","0.0453","","0.1194","0.1169","0.1194","","","","","","1.0071","","","","has coordinates","228797","2020-10-21","18:00:00",""
"1548864","24.2085","0.0003","16.0031","0.0002","8.8283","0.0001","90","","90","","90","","3420.18","0.07","150","","150","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42.45 H36.9 Cl0.9 N O2 P -","- C42.4489 H36.8978 Cl0.8978 N O2 P -","- C169.796 H147.591 Cl3.5912 N4 O8 P4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0375","0.0358","","0.0949","0.0929","0.0949","","","","","","1.0024","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548865","27.8322","0.0003","21.4898","0.0002","26.4066","0.0003","90","","116.468","0.002","90","","14138.5","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C50 H82 B Cl N6 Ni O2 Si2 -","- C50 H82 B Cl N6 Ni O2 Si2 -","- C400 H656 B8 Cl8 N48 Ni8 O16 Si16 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0528","0.0415","","","0.1177","0.1268","","","","","","1.023","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548866","10.8782","0.0001","25.2119","0.0002","17.866","0.0001","90","","91.948","0.001","90","","4897.1","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H71 B Cl N5 Ni O3 Si2 -","- C44 H71 B Cl N5 Ni O3 Si2 -","- C176 H284 B4 Cl4 N20 Ni4 O12 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0368","0.0328","","","0.0858","0.0889","","","","","","1.03","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548867","9.8905","0.0012","12.6054","0.0014","16.945","0.002","69.66","0.011","89.159","0.01","78.594","0.01","1938.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H63 B Cl N5 O2 -","- C38 H63 B Cl N5 O2 -","- C76 H126 B2 Cl2 N10 O4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1551","0.0939","","","0.2404","0.2981","","","","","","1.017","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548868","11.0148","0.0004","14.6131","0.0005","22.793","0.0008","84.552","0.003","83.601","0.003","70.398","0.004","3428.1","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H105 B Cl N6 Ni O6 Si2 -","- C66 H104 B Cl N6 Ni O6 Si2 -","- C132 H208 B2 Cl2 N12 Ni2 O12 Si4 -","2","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0701","0.0565","","","0.1518","0.166","","","","","","1.042","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548869","13.7173","0.0002","15.3059","0.0002","15.7157","0.0002","90","","110.275","0.002","90","","3095.16","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 B Cl N5 -","- C27 H49 B Cl N5 -","- C108 H196 B4 Cl4 N20 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0468","0.0409","","","0.1096","0.1198","","","","","","1.065","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548870","15.6878","0.0002","12.3457","0.0001","36.8495","0.0005","90","","90","","90","","7136.9","0.14","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H59 B Cl N5 O -","- C33 H59 B Cl N5 O -","- C264 H472 B8 Cl8 N40 O8 -","8","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.0765","0.065","","","0.1842","0.1974","","","","","","1.029","","","","has coordinates,has disorder","228798","2020-10-21","18:00:00",""
"1548871","14.0633","0.0007","26.4632","0.0011","18.1718","0.001","90","","100.801","0.005","90","","6643","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 B Cl N6 Ni O2 Si2 -","- C51 H78 B Cl N6 Ni O2 Si2 -","- C204 H312 B4 Cl4 N24 Ni4 O8 Si8 -","4","1","","Hadlington, T. J.; Szilvási, T; Driess, M.","Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO.","Chemical science","2018","9","9","2595","2600","10.1039/c7sc04792d","","","1.54184","CuKα","","0.1852","0.0929","","","0.1819","0.224","","","","","","0.819","","","","has coordinates","228798","2020-10-21","18:00:00",""
"1548872","10.17707","0.00014","8.43885","0.00015","18.8541","0.0003","90","","101.724","0.0015","90","","1585.46","0.04","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H12 F6 N O P -","- C15 H12 F6 N O P -","- C60 H48 F24 N4 O4 P4 -","4","2","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","x-ray","1.54184","CuKα","","0.0512","0.0482","","","0.1257","0.1288","","","","","","1.027","","","","has coordinates,has disorder","228852","2020-10-21","18:00:00",""
"1548873","9.524","0.0005","17.1108","0.0009","36.4272","0.0016","90","","90","","90","","5936.3","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H60 Cl6 O4 Rh2 -","- C65 H60 Cl6 O4 Rh2 -","- C260 H240 Cl24 O16 Rh8 -","4","1","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","","1.54184","CuKα","","0.0687","0.0551","","","0.1219","0.1295","","","","","","1.103","","","","has coordinates","228852","2020-10-21","18:00:00",""
"1548874","10.4786","0.0005","16.101","0.0008","16.7081","0.0008","90","","92.821","0.002","90","","2815.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 -","- C64 H144 B40 Cl4 Cu4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0414","0.0284","","","0.0472","0.0501","","","","","","1.041","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548875","10.6009","0.0005","13.8331","0.0007","11.0738","0.0005","90","","103.867","0.002","90","","1576.57","0.13","100","2","100","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C18 H39 Ag B10 N2 O7 P2 Ru -","- C36 H78 Ag2 B20 N4 O14 P4 Ru2 -","2","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.025","0.0215","","","0.0379","0.0387","","","","","","1.031","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548876","12.421","0.0005","12.596","0.0006","19.0782","0.0008","90","","101.457","0.002","90","","2925.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C32 H72 Au2 B20 Cl2 O8 P4 Ru2 -","- C64 H144 Au4 B40 Cl4 O16 P8 Ru4 -","2","0.5","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.","Chemical science","2018","9","9","2601","2608","10.1039/c8sc00190a","","x-ray","0.71073","MoKα","","0.0301","0.0225","","","0.034","0.0352","","","","","","1.079","","","","has coordinates","228794","2020-10-21","18:00:00",""
"1548877","7.945","0.0003","8.8188","0.0003","17.5482","0.0007","77.665","0.002","82.466","0.002","81.092","0.002","1180.51","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0429","0.0345","","","0.0794","0.0821","","","","","","1.039","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548878","8.002","0.0006","9.1057","0.0007","17.7358","0.0014","76.787","0.004","82.257","0.004","80.099","0.004","1233.2","0.17","277","2","277","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","- C60 H36 Fe N14 S2 -","1","0.5","","Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao","Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions.","Chemical science","2018","9","11","2892","2897","10.1039/c7sc05221a","","","0.71073","MoKα","","0.0798","0.0459","","","0.0897","0.0976","","","","","","1.033","","","","has coordinates","228850","2020-10-21","18:00:00",""
"1548879","8.3869","0.0007","7.9947","0.0006","19.4819","0.0016","90","","90.1405","0.0011","90","","1306.27","0.18","88","2","88","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 Co F8 N6 O2 -","- C20 H36 B2 Co F8 N6 O2 -","- C40 H72 B4 Co2 F16 N12 O4 -","2","0.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.032","0.027","","","0.0666","0.0693","","","","","","1.031","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548880","28.1807","0.0018","13.2001","0.0008","20.3454","0.0013","90","","129.871","0.0006","90","","5808.5","0.6","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H37 B2 Co F8 N7 O -","- C22 H37 B2 Co F8 N7 O -","- C176 H296 B16 Co8 F64 N56 O8 -","8","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.0389","0.0288","","","0.0672","0.0716","","","","","","1.03","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548881","9.8793","0.0006","14.9748","0.0008","17.3244","0.001","90","","90","","90","","2563","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B2 Co F8 N6 -","- C20 H28 B2 Co F8 N6 -","- C80 H112 B8 Co4 F32 N24 -","4","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.027","0.0235","","","0.0552","0.0569","","","","","","1.023","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548882","30.4582","0.0016","20.3058","0.0011","17.0511","0.0009","90","","120.178","0.0007","90","","9116.5","0.8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 B2 Co F8 N8 -","- C24 H38 B2 Co F8.00007 N8 -","- C288 H456 B24 Co12 F96.0008 N96 -","12","1.5","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.1335","0.1226","","","0.3233","0.3322","","","","","","1.067","","","","has coordinates,has disorder","228637","2020-10-21","18:00:00",""
"1548883","10.8491","0.0007","11.7518","0.0008","14.5176","0.001","75.9118","0.0008","86.5298","0.0008","71.8096","0.0008","1705.3","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","- C52 H54 Ba2 F12 Fe2 N6 O24 S4 -","1","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0243","0.0221","","","0.0542","0.0554","","","","","","1.034","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548884","32.941","0.002","8.2524","0.0006","21.7664","0.0015","90","","108.302","0.0008","90","","5617.7","0.7","88","2","88","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C46 H48 F6 Fe2 K2 N4 O19 S2 -","- C184 H192 F24 Fe8 K8 N16 O76 S8 -","4","0.5","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.099","0.0931","","","0.2677","0.274","","","","","","1.055","","","","has coordinates,has disorder","228800","2020-10-21","18:00:00",""
"1548885","9.7023","0.0006","12.7853","0.0007","15.6368","0.0009","106.971","0.001","104.413","0.001","98.178","0.001","1747.82","0.18","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C26 H27 Ba Cl F6 Fe N3 O12 S2 -","- C52 H54 Ba2 Cl2 F12 Fe2 N6 O24 S4 -","2","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0232","0.0209","","","0.0571","0.0582","","","","","","1.077","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548886","11.253","0.0013","17.652","0.002","13.5982","0.0015","90","","90.075","0.002","90","","2701.1","0.5","128","2","128","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl F3 Fe K N2 O9 S -","- C23 H24 Cl F3 Fe K N2 O9 S -","- C92 H96 Cl4 F12 Fe4 K4 N8 O36 S4 -","4","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0464","0.0349","","","0.0849","0.0912","","","","","","1.032","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548887","9.5075","0.0004","27.3543","0.0012","28.8412","0.0012","90","","90","","90","","7500.8","0.6","88","2","88","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C26 H27 Ba F6 Fe N3 O12.5 S2 -","- C208 H216 Ba8 F48 Fe8 N24 O100 S16 -","8","1","","Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y.","Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials.","Chemical science","2018","9","9","2567","2574","10.1039/c7sc04486k","","","0.71073","MoKα","","0.0849","0.068","","","0.1813","0.195","","","","","","1.025","","","","has coordinates","228800","2020-10-21","18:00:00",""
"1548888","5.5834","0.0009","7.362","0.0011","12.537","0.002","91.1515","0.0018","93.4047","0.0017","100.667","0.0017","505.28","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 O6 S2 -","- C22 H24 O6 S2 -","- C22 H24 O6 S2 -","1","0.5","","Kalelkar, Pranav P.; Collard, David M.","Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol‒ene chemistry","Polymer Chemistry","2018","9","8","1022","","10.1039/C7PY01930K","","","0.71073","MoKα","","0.0374","0.0336","","","0.0839","0.0871","","","","","","1.062","","","","has coordinates","230956","2020-10-21","18:00:00",""
"1548889","22.2914","0.0008","14.1339","0.0003","23.1869","0.0008","90","","115.732","0.002","90","","6580.9","0.4","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4,9,14-Trichloro-1,3,5,6,8,10,11,13,15-nonaazatetracyclo\ [10.3.0.0^2,6^.0^7,11^]pentadeca-2,4,7,9,12,14-hexaene","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","","- C6 Cl3 N9 -","- C6 Cl3 N9 -","- C144 Cl72 N216 -","24","3","WM4072","Limbach, Daniel; Detert, Heiner; Schollmeyer, Dieter","2,6,10-Trichlorotris[1,2,4]triazolo[1,5-<i>a</i>:1',5'-<i>c</i>:1'',5''-<i>e</i>][1,3,5]triazine","IUCrData","2018","3","2","x180212","","10.1107/S2414314618002122","","","0.71069","MoKα","","0.0419","0.0331","","","0.0794","0.0861","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","206301","2020-10-21","18:00:00",""
"1548890","9.1066","0.0004","19.6406","0.0009","11.2901","0.0005","90","","94.343","0.004","90","","2013.54","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","FF4023","Tamam, Asmaa H. A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Hussain, Faiq H. S.","2-Amino-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","IUCrData","2018","3","2","x180167","","10.1107/S2414314618001670","","","1.54184","CuKα","","0.0682","0.0505","","","0.137","0.149","","","","","","1.052","","","","has coordinates,has Fobs","206302","2020-10-21","18:00:00",""
"1548891","9.1084","0.0008","10.8314","0.0009","17.2226","0.0014","90","","94.06","0.003","90","","1694.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(N<i>Z</i>)-<i>N</i>-[(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)methylidene]- <i>N</i>- oxidoanilinium","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","HB4209","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Said, Awad I.; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.","(<i>Z</i>)-1-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-<i>N</i>-phenylmethanimine <i>N</i>-oxide","IUCrData","2018","3","2","x180208","","10.1107/S2414314618002080","","","1.54178","CuKα","","0.0372","0.0346","","","0.0844","0.0864","","","","","","1.055","","","","has coordinates,has Fobs","206303","2020-10-21","18:00:00",""
"1548892","5.1574","0.0006","17.413","0.002","5.1107","0.0007","90","","100.357","0.004","90","","451.49","0.1","293","2","293","2","","","","","","","","2","C 1 m 1","C -2y","8","","Tetraaluminium chromium","","- Al4 Cr -","- Al4 Cr -","- Al24 Cr6 -","6","1.5","WM4068","Fan, Changzeng; Liu, Cong","Crystal structure of ω-Al~4~Cr","IUCrData","2018","3","2","x180216","","10.1107/S241431461800216X","","","0.71073","MoKα","","0.0721","0.0466","","","0.0833","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","206304","2020-10-21","18:00:00",""
"1548893","10.2919","0.0008","15.7509","0.0009","20.9127","0.0015","90","","90","","90","","3390.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1202","0.0457","","","0.1094","0.1417","","","","","","0.986","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548894","10.0952","0.0013","16.406","0.002","10.2489","0.0014","90","","90.105","0.003","90","","1697.4","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C52 H100 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1287","0.07","","","0.1457","0.1725","","","","","","1.024","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548895","9.5629","0.0006","15.744","0.0009","21.1445","0.0013","90","","90","","90","","3183.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.095","0.0484","","","0.1112","0.1355","","","","","","1.053","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548896","9.51","0.0009","15.8715","0.0012","10.7748","0.0011","90","","105.503","0.003","90","","1567.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C48 H92 N8 O16 S2 -","2","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1276","0.0603","","","0.1211","0.1491","","","","","","1.017","","","","has coordinates","230977","2020-10-21","18:00:00",""
"1548897","8.8511","0.0007","24.5258","0.0019","11.1501","0.0009","90","","97.066","0.001","90","","2402.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 Cl Co F6 N4 O6 S2 -","- C16 H23 Cl Co F6 N4 O6 S2 -","- C64 H92 Cl4 Co4 F24 N16 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0538","0.0426","","","0.1065","0.1133","","","","","","1.031","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548898","12.8115","0.0016","24.0973","0.0019","8.7902","0.001","90","","96.927","0.005","90","","2693.9","0.5","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 Co F6 N4 O8 S2 -","- C19 H28 Co F6 N4 O8 S2 -","- C76 H112 Co4 F24 N16 O32 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.028","0.0259","","","0.0595","0.0605","","","","","","1.034","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548899","14.2091","0.0005","13.4658","0.0004","15.184","0.0005","90","","93.295","0.0008","90","","2900.46","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Co F6 N7 O6 S2 -","- C21 H29 Co F6 N7 O6 S2 -","- C84 H116 Co4 F24 N28 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0309","0.0269","","","0.069","0.0715","","","","","","1.03","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548900","9.312","0.002","16.956","0.004","29.498","0.007","90","","90","","90","","4657.6","1.9","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Co F6 N4 O6 S2 -","- C16 H24 Co F6 N4 O6 S2 -","- C128 H192 Co8 F48 N32 O48 S16 -","8","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.7107","MoKα","","0.0251","0.0227","","","0.0556","0.0568","","","","","","1.091","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548901","8.802","0.002","24.936","0.006","12.694","0.003","90","","94.038","0.005","90","","2779.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 Co F6 N5 O6 S2 -","- C18 H29 Co F6 N5 O6 S2 -","- C72 H116 Co4 F24 N20 O24 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.1031","0.0767","","","0.2182","0.2483","","","","","","1.036","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548902","11.9921","0.0009","15.4423","0.0014","15.8756","0.0013","90","","108.403","0.002","90","","2789.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Co F6 N4 O7 S2 -","- C19 H30 Co F6 N4 O7 S2 -","- C76 H120 Co4 F24 N16 O28 S8 -","4","1","","Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio","Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes.","Chemical science","2018","9","9","2609","2619","10.1039/c7sc04328g","","","0.71073","MoKα","","0.0458","0.0353","","","0.0873","0.0933","","","","","","1.035","","","","has coordinates","228801","2020-10-21","18:00:00",""
"1548903","7.5796","0.0003","11.3035","0.0005","14.7799","0.0007","90","","92.183","0.002","90","","1265.36","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","EO-469-GIII","","","- C26 H44 N4 O4 -","- C26 H44 N4 O4 -","- C52 H88 N8 O8 -","2","1","","Cabanillas, Alfredo H.; Tena Pérez, Víctor; Maderuelo Corral, Santiago; Rosero Valencia, Diego Fernando; Martel Quintana, Antera; Ortega Doménech, Montserrat; Rumbero Sánchez, Ángel","Cybastacines A and B: Antibiotic Sesterterpenes from a Nostoc sp. Cyanobacterium","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00638","","","1.54178","CuKα","","0.0499","0.0429","","","0.1115","0.1212","","","","","","1.021","","","","has coordinates","206376","2020-10-21","18:00:00",""
"1548904","14.245","0.002","17.905","0.002","11.3809","0.0009","90","","90","","90","","2902.8","0.6","173","0.1","173","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H32 B2 N Na O5 -","- C27 H24 B2 N Na O5 -","- C108 H96 B8 N4 Na4 O20 -","4","0.5","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.1286","0.0895","","","0.2458","0.2854","","","","","","1.051","","","","has coordinates,has disorder","228636","2020-10-21","18:00:00",""
"1548905","12.3892","0.001","40.276","0.005","12.9956","0.0007","90","","90.798","0.007","90","","6484","1","175","1","175","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 B K N2 O4 -","- C32 H37.75 B K N2 O4 -","- C256 H302 B8 K8 N16 O32 -","8","4","","Zhang, Li; Jiao, Lei","Super electron donors derived from diboron.","Chemical science","2018","9","10","2711","2722","10.1039/c8sc00008e","","x-ray","1.54184","CuKα","","0.0999","0.0683","","","0.1631","0.1833","","","","","","1","","","","has coordinates","228636","2020-10-21","18:00:00",""
"1548906","14.314","0.003","12.233","0.003","27.034","0.006","90","","102.751","0.013","90","","4617","1.8","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H57 N O2 P2 S2 Ti -","- C52 H57 N O2 P2 S2 Ti -","- C208 H228 N4 O8 P8 S8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0785","0.0426","","","0.0867","0.0983","","","","","","1.012","","","","has coordinates","228779","2020-10-21","18:00:00",""
"1548907","11.835","0.002","19.146","0.003","22.47","0.004","90","","102.101","0.008","90","","4978.4","1.5","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 N7 P2 Ti -","- C56 H65 N7 P2 Ti -","- C224 H260 N28 P8 Ti4 -","4","1","","Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.","Room temperature olefination of methane with titanium-carbon multiple bonds.","Chemical science","2018","9","13","3376","3385","10.1039/c7sc05238c","","","0.71073","MoKα","","0.0635","0.0409","","","0.0911","0.1012","","","","","","1.033","","","","has coordinates,has disorder","228779","2020-10-21","18:00:00",""
"1548908","9.609","0.0017","9.609","0.0017","9.609","0.0017","94.46","0.03","94.46","0.03","94.46","0.03","878.7","0.3","293","2","293","2","","","","","","","","3","R -3 :R","-P 3*","148","","","","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1","SP5002","Tinti, Gemma; Fröjdh, Erik; van Genderen, Eric; Gruene, Tim; Schmitt, Bernd; de Winter, D. A. Matthijs; Weckhuysen, Bert M.; Abrahams, Jan Pieter","Electron crystallography with the EIGER detector","IUCrJ","2018","5","2","190","199","10.1107/S2052252518000945","","","0.02508","","","0.2532","0.2225","","","0.4999","0.5177","","","","","","1.304","","","","has coordinates","206765","2020-10-21","18:00:00",""
"1548909","19.68","0.03","10.006","0.014","11.85","0.016","90","","101.871","0.016","90","","2284","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 O -","- C31 H20 N2 O -","- C124 H80 N8 O4 -","4","1","","Ghorai, Anupam; Mondal, Jahangir; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.","A novel pyrene based highly selective reversible fluorescent-colorimetric sensor for the rapid detection of Cu2+ ions: application in bio-imaging","Analytical Methods","2018","10","9","1063","","10.1039/C8AY00097B","","","0.71073","MoKα","","0.3118","0.0838","","","0.1829","0.3095","","","","","","0.934","","","","has coordinates","227953","2020-10-21","18:00:00",""
"1548910","11.0085","0.0006","13.2457","0.0007","15.8552","0.0009","90","","92.636","0.002","90","","2309.5","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cl3 N4 O4 Ru -","- C20 H28 Cl3 N4 O4 Ru -","- C80 H112 Cl12 N16 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0398","0.0285","","","0.0618","0.0657","","","","","","1.033","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548911","8.6233","0.001","12.5838","0.0016","23.552","0.004","90","","90","","90","","2555.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl3 N5 O4 Ru -","- C22 H29 Cl3 N5 O4 Ru -","- C88 H116 Cl12 N20 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0188","0.0188","","","0.0483","0.0485","","","","","","1.068","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548912","10.505","0.002","10.579","0.002","11.649","0.002","90","","101.09","0.03","90","","1270.4","0.4","253","2","253","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C22 H32 Cl3 N4 O4 Ru -","- C22 H32 Cl3 N4 O4 Ru -","- C44 H64 Cl6 N8 O8 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","0.71073","MoKα","","0.0302","0.0291","","","0.0802","0.0808","","","","","","1.037","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548913","8.1503","0.0006","16.4241","0.0013","12.805","0.0011","90","","99.016","0.003","90","","1692.9","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N6 O8 Ru -","- C32 H38 Cl2 N6 O8 Ru -","- C64 H76 Cl4 N12 O16 Ru2 -","2","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0274","0.0273","","","0.0688","0.0689","","","","","","1.055","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548914","9.912","0.0007","17.5103","0.0014","21.2883","0.0017","81.245","0.005","80.941","0.006","83.022","0.006","3588.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31.65 H36.48 Cl2 N6.83 O8 Ru -","- C31.664 H36.496 Cl2 N6.832 O8 Ru -","- C126.656 H145.984 Cl8 N27.328 O32 Ru4 -","4","2","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","x-ray","1.54178","CuKα","","0.0968","0.0682","","","0.1781","0.1966","","","","","","1.024","","","","has coordinates,has disorder","228635","2020-10-21","18:00:00",""
"1548915","14.38","","15.3958","","21.7726","","74.25","","71.751","","82.351","","4399.85","","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H58 Mn3.5 N4 O24 S10 -","- C83 H58 Mn3.5 N3 O24 S10 -","- C166 H116 Mn7 N6 O48 S20 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.71075","MoKα","","0.109","0.0801","","","0.2057","0.2324","","","","","","1.062","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548916","14.639","","16.743","","20.551","","100.913","","106.78","","100.119","","4591.03","","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H17.5 Mn3.5 N10 O24 -","- C100 H35 Mn3.5 N10 O24 -","- C200 H70 Mn7 N20 O48 -","2","1","","Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K.","Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework.","Chemical science","2018","9","13","3282","3289","10.1039/c7sc05390h","","","0.75","synchrotronradiation","","0.1107","0.0883","","","0.2574","0.2772","","","","","","1.064","","","","has coordinates","228774","2020-10-21","18:00:00",""
"1548917","10.383","0.0004","11.3585","0.0005","17.4827","0.0008","89.777","0.002","89.404","0.002","63.76","0.002","1849.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th(BIMA)4","","- C32 H68 N8 Th -","- C32 H68 N8 Th -","- C64 H136 N16 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.011","0.0107","","","0.0273","0.0274","","","","","","1.09","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548918","16.9023","0.0009","11.4723","0.0006","21.7432","0.0012","90","","95.127","0.003","90","","4199.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Th(ptolylN3CH2SiMe3)(BIMA)3","","- C35 H69 N9 Si Th -","- C35 H69 N9 Si Th -","- C140 H276 N36 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0384","0.0317","","","0.07","0.0731","","","","","","1.089","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548919","9.4981","0.0019","11.95","0.002","16.888","0.003","90.32","0.03","99.06","0.03","102.29","0.03","1848","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th[(iPr)N(O2C2)(CH2SiMe3)C(Me)N(iPr)](BIMA)2]","","- C30 H62 N6 O2 Si Th -","- C30 H62 N6 O2 Si Th -","- C60 H124 N12 O4 Si2 Th2 -","2","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0211","0.0198","","","0.0453","0.0458","","","","","","1.099","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548920","12.986","0.004","16.992","0.005","17.337","0.004","103.843","0.01","97.592","0.01","93.871","0.012","3662.3","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Th(OC(CH2)SiMe3)(BIMA)3","","- C29 H62 N6 O Si Th -","- C29 H62 N6 O Si Th -","- C116 H248 N24 O4 Si4 Th4 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0347","0.0273","","","0.0556","0.0585","","","","","","1.109","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548921","11.5082","0.0005","12.3194","0.0005","12.8462","0.0005","61.8432","0.0007","79.157","0.0008","86.2752","0.0008","1576.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th[(iPr)NC(CH2)N(iPr)](BIMA)2","","- C13.75 H25 N3 Th0.5 -","- C13.75 H25 N3 Th0.5 -","- C55 H100 N12 Th2 -","4","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0215","0.0207","","","0.0488","0.0493","","","","","","1.117","","","","has coordinates,has disorder","228634","2020-10-21","18:00:00",""
"1548922","10.9839","0.0005","20.99","0.0008","18.246","0.0008","90","","93.46","0.0018","90","","4199","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(CNXylCH2SiMe3)(BIMA)3","","- C37 H71 N7 Si Th -","- C37 H71 N7 Si Th -","- C148 H284 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0258","0.022","","","0.047","0.0491","","","","","","1.072","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548923","12.6373","0.0009","17.8743","0.0014","17.1544","0.0013","90","","90.033","0.003","90","","3874.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(ptolylNSiMe3)(BIMA)3","","- C34 H67 N7 Si Th -","- C34 H67 N7 Si Th -","- C136 H268 N28 Si4 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.021","0.0153","","","0.0309","0.0335","","","","","","1.062","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548924","18.6971","0.0007","15.8036","0.0005","18.9111","0.0006","90","","103.688","0.002","90","","5429.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Th(THF)(BIMA)3][(BPh4)(THF)]","","- C56 H87 B N6 O2 Th -","- C56 H87 B N6 O2 Th -","- C224 H348 B4 N24 O8 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0267","0.0204","","","0.0407","0.0432","","","","","","1.068","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548925","12.1573","0.0013","18.4711","0.0018","16.3766","0.0018","90","","90.215","0.005","90","","3677.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(BIMA)3Th(μ-H)2[B(C8H14)]","","- C32 H67 B N6 Th -","- C32 H67 B N6 Th -","- C128 H268 B4 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.0257","0.0207","","","0.0452","0.0467","","","","","","1.103","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548926","19.0249","0.0009","10.3942","0.0005","19.133","0.0009","90","","110.105","0.0018","90","","3553","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Th(CCtolyl)(BIMA)3","","- C33 H58 N6 Th -","- C33 H58 N6 Th -","- C132 H232 N24 Th4 -","4","1","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.017","0.0148","","","0.032","0.0329","","","","","","1.102","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548927","22.5782","0.001","13.2908","0.0006","25.4828","0.0011","90","","100.332","0.002","90","","7522.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Th(PHMes)(BIMA)3","","- C33 H63 N6 P Th -","- C33 H63 N6 P Th -","- C264 H504 N48 P8 Th8 -","8","2","","Settineri, Nicholas S.; Arnold, John","Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.","Chemical science","2018","9","10","2831","2841","10.1039/c7sc05328b","","","0.71073","MoKα","","0.036","0.0252","","","0.051","0.0549","","","","","","1.042","","","","has coordinates","228634","2020-10-21","18:00:00",""
"1548928","13.1834","0.0005","34.0491","0.0013","10.3637","0.0004","90","","90","","90","","4652.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P n m a","-P 2ac 2n","62","","","","- C40 H42 Br2 F22 N2 Ni -","- C40 H42 Br2 F22 N2 Ni -","- C160 H168 Br8 F88 N8 Ni4 -","4","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.038","0.0331","","","0.08","0.0824","","","","","","1.095","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1548929","20.5269","0.0014","21.5497","0.0014","34.938","0.003","90","","90","","90","","15455","2","150","2","150","2","","","","","","","synthesized by the authors","7","I b a m","-I 2 2c","72","","","","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C49 H44 Br2 Cl2 F22 N2 Ni -","- C392 H352 Br16 Cl16 F176 N16 Ni8 -","8","0.5","","Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan","Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization","Polymer Chemistry","2018","9","10","1234","","10.1039/C8PY00201K","","","0.71073","MoKα","","0.0853","0.0591","","","0.167","0.1935","","","","","","1.092","","","","has coordinates","230951","2020-10-21","18:00:00",""
"1548930","25.289","0.005","10.076","0.002","19.05","0.004","90","0.03","98.89","0.03","90","0.03","4795.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","6'-(3-bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'H-spiro [indeno[1,2-b]quinoxaline-11,5'-pyrrolo[1,2-c]thiazole]","","- C26 H19 Br N4 O2 S -","- C26 H19 Br N4 O2 S -","- C208 H152 Br8 N32 O16 S8 -","8","1","SJ4157","Muthuselvi, C.; Muthu, M.; Athimoolam, S.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","6'-(3-Bromophenyl)-7'-nitro-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole]","IUCrData","2018","3","2","x180238","","10.1107/S2414314618002389","","","0.71073","MoKα","","0.0523","0.0453","","","0.1151","0.1208","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","206484","2020-10-21","18:00:00",""
"1548931","7.6981","0.0002","7.6981","0.0002","7.6231","0.0002","90","","90","","120","","391.227","0.018","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Decaaluminium trinickel iron","","- Al10 Fe0.83 Ni3 -","- Al10 Fe0.834 Ni3 -","- Al20 Fe1.668 Ni6 -","2","0.0833333","WM4071","Wang, Sai; Liu, Cong; Fan, Changzeng","Al~10~Ni~3~Fe~0.83~, an Fe-depleted phase in the Al‒Ni‒Fe system","IUCrData","2018","3","2","x180237","","10.1107/S2414314618002377","","","1.54178","CuKα","","0.0292","0.0288","","","0.089","0.0897","","","","","","1.085","","","","has coordinates,has Fobs","206485","2020-10-21","18:00:00",""
"1548932","10.073","0.003","10.37","0.003","10.547","0.003","105.029","0.002","115.48","0.005","90.3532","0.0015","951.7","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","","- C19 H17 Cl2 N S Si -","- C19 H17 Cl2 N S Si -","- C38 H34 Cl4 N2 S2 Si2 -","2","1","FF4024","Umezono, Satoru; Okuno, Tsunehisa","10-[1,1-Dichloro-4-(trimethylsilyl)but-1-en-3-yn-2-yl]-10<i>H</i>-phenothiazine","IUCrData","2018","3","2","x180232","","10.1107/S2414314618002328","","","0.71075","MoKα","","0.0386","0.0299","","","0.0698","0.0745","","","","","","1.045","","","","has coordinates,has Fobs","206486","2020-10-21","18:00:00",""
"1548933","10.8419","0.0003","11.7415","0.0004","31.5503","0.0009","90","","90","","90","","4016.4","0.2","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0406","0.0322","","","0.0726","0.0763","","","","","","1.029","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548934","11.025","0.01","11.863","0.011","32.15","0.03","90","","90","","90","","4205","7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0934","0.0494","","","0.0916","0.107","","","","","","0.989","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548935","10.972","0.004","11.475","0.006","31.878","0.011","90","","90","","90","","4014","3","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0873","0.065","","","0.1262","0.134","","","","","","1.068","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548936","10.8323","0.0004","11.6921","0.0004","31.5984","0.0011","90","","90","","90","","4002","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0398","0.0308","","","0.0603","0.0626","","","","","","1.022","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548937","11.131","0.003","11.508","0.005","32.09","0.009","90","","90","","90","","4111","2","293","2","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0718","0.0475","","","0.0993","0.1073","","","","","","1.019","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548938","10.799","0.003","11.407","0.005","31.847","0.009","90","","90","","90","","3923","2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0524","0.0416","","","0.0925","0.0968","","","","","","1.037","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548939","10.4794","0.0008","7.0464","0.0006","13.4791","0.001","90","","100.094","0.005","90","","979.92","0.13","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C44 H46 N2 O4 Si2 -","2","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0774","0.0596","","","0.1657","0.2024","","","","","","1.269","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548940","9.4164","0.0003","11.6775","0.0004","17.207","0.0006","90","","90","","90","","1892.08","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0266","0.0266","","","0.0703","0.0703","","","","","","1.103","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548941","12.9788","0.0003","15.9249","0.0002","18.4205","0.0004","77.6077","0.0015","73.186","0.0018","88.345","0.0014","3557.34","0.13","90","2","90","2","","","","","","","","11","P -1","-P 1","2","XBphos-Rh","LCAR666","","- C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh -","- C69.1736 H38.3472 B Cl2.3472 F28 I N O P2 Rh -","- C138.347 H76.6944 B2 Cl4.6944 F56 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.0998","0.0862","","","0.2044","0.2106","","","","","","1.179","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548942","12.9235","0.0009","15.961","0.0013","18.3296","0.0019","79.049","0.008","71.52","0.008","88.475","0.006","3518.3","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","LCAR780","","- C70.5 H46 B F24 I N O P2 Rh -","- C70.5 H46 B F24 I N O P2 Rh -","- C141 H92 B2 F48 I2 N2 O2 P4 Rh2 -","2","1","","Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton","<b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst.","Chemical science","2018","9","15","3644","3648","10.1039/c8sc00233a","","","0.7107","MoKα","","0.1538","0.1068","","","0.3123","0.3366","","","","","","1.035","","","","has coordinates,has disorder","228812","2020-10-21","18:00:00",""
"1548943","17.417","0.001","7.3299","0.0004","13.5997","0.0007","90","","95.37","0.002","90","","1728.58","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0866","0.0752","","","0.1895","0.1966","","","","","","1.061","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548944","13.9904","0.0006","8.4064","0.0003","21.36","0.0009","90","","104.491","0.001","90","","2432.21","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.061","0.0398","","","0.096","0.1141","","","","","","1.064","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548945","12.3308","0.0012","16.1714","0.0013","8.8646","0.0008","90","","94.241","0.004","90","","1762.8","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 S -","- C18 H22 N2 O3 S -","- C72 H88 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1059","0.0579","","","0.13","0.163","","","","","","1.035","","","","has coordinates,has disorder","228857","2020-10-21","18:00:00",""
"1548946","9.0836","0.0003","21.4854","0.0009","9.9912","0.0004","90","","92.112","0.001","90","","1948.61","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0708","0.0494","","","0.1195","0.1372","","","","","","1.059","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548947","9.8261","0.0004","13.6201","0.0005","16.2063","0.0005","90","","96.868","0.001","90","","2153.37","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.0461","0.0377","","","0.0905","0.0989","","","","","","1.02","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548948","10.99","0.0011","9.6096","0.0009","29.66","0.003","90","","94.047","0.007","90","","3124.6","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O3 S -","- C16 H18 N2 O3 S -","- C128 H144 N16 O24 S8 -","8","1","","Giri, Sovan Sundar; Liu, Rai-Shung","Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations.","Chemical science","2018","9","11","2991","2995","10.1039/c8sc00232k","","","0.71073","MoKα","","0.1146","0.0592","","","0.1393","0.1623","","","","","","1.011","","","","has coordinates","228857","2020-10-21","18:00:00",""
"1548949","6.0422","0.0012","11.778","0.003","15.448","0.003","90","","90","","90","","1099.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F4 O -","- C12 H12 F4 O -","- C48 H48 F16 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0303","0.0295","","","0.0833","0.0841","","","","","","1.056","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548950","5.25889","0.00006","9.75241","0.00011","20.4698","0.0002","90","","90","","90","","1049.83","0.02","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C48 H56 F8 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0264","0.026","","","0.0705","0.0709","","","","","","1.086","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548951","13.5173","0.0003","5.57303","0.00015","27.4909","0.0009","90","","90.469","0.002","90","","2070.88","0.1","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.1345","0.1282","","","0.4485","0.4562","","","","","","2.205","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548952","10.536","0.003","19.983","0.006","10.272","0.003","90","","107.972","0.007","90","","2057.2","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C96 H112 F16 O8 -","8","2","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0389","0.0359","","","0.1055","0.1078","","","","","","1.032","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548953","5.33024","0.00013","9.6528","0.0003","20.0332","0.0007","90","","90","","90","","1030.74","0.05","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F O -","- C12 H14.8 F O -","- C48 H59.2 F4 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0509","0.0496","","","0.1485","0.1496","","","","","","1.004","","","","has coordinates,has disorder","228853","2020-10-21","18:00:00",""
"1548954","21.247","0.0009","21.247","","11.2694","0.0005","90","","90","","120","","4405.8","0.3","291","2","291","2","","","","","","","","4","P 61","P 61","169","","3,3-dimethyl-2-(4-(methylsulfonyl)phenyl)non-4-yn-2-yl [1,1'-biphenyl]-4-carboxylate","","- C31 H34 O4 S -","- C31 H34 O4 S -","- C186 H204 O24 S6 -","6","1","","Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J","Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration.","Chemical science","2018","9","13","3305","3312","10.1039/c7sc05123a","","","0.71073","MoKα","","0.0968","0.0638","","","0.1733","0.1943","","","","","","1.092","","","","has coordinates","228777","2020-10-21","18:00:00",""
"1548955","12.2247","0.001","15.0283","0.0012","22.5879","0.0019","90","","98.452","0.003","90","","4104.7","0.6","123","","123","","","","","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.0334","0.0331","","0.0345","0.0337","0.0336","","","","","","1.0796","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548956","12.3873","0.0009","12.5363","0.0009","15.3282","0.0012","104.142","0.003","109.108","0.002","103.339","0.002","2051.8","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.0387","0.0383","","0.0779","0.0779","0.0779","","","","","","0.8973","","","","has coordinates,has disorder","230892","2020-10-21","18:00:00",""
"1548957","10.6543","0.0008","11.1834","0.0014","15.7615","0.0011","90","","90","","90","","1878","0.3","123","","123","","","","","","","","Sarah Keller","6","I 2 m m","I -2 2","44","","","","- C31 H52 Cu F6 O3 P3 -","- C31 H52 Cu F6 O3 P3 -","- C62 H104 Cu2 F12 O6 P6 -","2","0.25","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","","1.54178","CuKα","","0.1505","0.1497","","0.1639","0.1635","0.1635","","","","","","1.1082","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548958","11.9737","0.0011","12.2317","0.0013","14.4143","0.0006","103.77","0.006","108.026","0.006","104.548","0.008","1825.2","0.3","293","","293","","","","1700000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.0735","0.0588","","0.1069","0.0993","0.1069","","","","","","0.9565","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548959","11.962","0.009","14.7798","0.0009","22.07","0.002","90","","98.83","0.02","90","","3856","3","293","","293","","","","700000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1084","0.0784","","0.1138","0.0984","0.1136","","","","","","1.178","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548960","11.704","0.002","12.033","0.002","14.1045","0.0016","103.362","0.015","108.356","0.015","104.447","0.015","1719","0.6","293","","293","","","","4500000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.2119","0.1416","","0.2295","0.197","0.2242","","","","","","1.1534","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548961","11.8753","0.0014","12.1267","0.0016","14.271","0.0009","103.601","0.009","108.062","0.008","104.62","0.011","1777.5","0.4","293","","293","","","","2500000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1618","0.1179","","0.1261","0.1183","0.1261","","","","","","1.1705","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548962","11.787","0.008","14.4808","0.0008","21.5025","0.0019","90","","99.22","0.02","90","","3623","2","293","","293","","","","2300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.2275","0.1716","","0.4318","0.3978","0.4318","","","","","","1.1047","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548963","11.892","0.008","14.682","0.0008","21.9164","0.0018","90","","98.94","0.02","90","","3780","3","293","","293","","","","1200000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1145","0.0834","","0.1294","0.1126","0.1294","","","","","","1.1536","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548964","11.7672","0.0015","12.0577","0.0015","14.1541","0.0012","103.49","0.011","108.215","0.01","104.502","0.011","1737.6","0.4","293","","293","","","","4000000","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C41 H56 Ag F6 N2 O P3 -","- C41 H56 Ag F6 N2 O P3 -","- C82 H112 Ag2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1922","0.147","","0.238","0.2236","0.238","","","","","","0.9858","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548965","23.191","0.018","14.335","0.0009","21.247","0.002","90","","99.44","0.03","90","","6968","5","293","","293","","","","3300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C328 H448 Cu8 F48 N16 O8 P24 -","8","2","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1883","0.1272","","0.1429","0.1311","0.1429","","","","","","1.1462","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548966","12.187","0.008","15.0361","0.001","22.427","0.002","90","","98.56","0.02","90","","4064","3","293","","293","","","","300000","","","","Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Cu F6 N2 O P3 -","- C41 H56 Cu F6 N2 O P3 -","- C164 H224 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","375","385","10.1039/c7pp00432j","","x-ray","0.4859","Synchrotron","","0.1147","0.0764","","0.1213","0.1022","0.1213","","","","","","1.1074","","","","has coordinates","230892","2020-10-21","18:00:00",""
"1548967","18.7426","0.0009","13.6265","0.0006","22.2266","0.001","90","","92.9084","0.0015","90","","5669.3","0.4","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H76 Cl3 P2 Pt -","- C57 H77 Cl3 P2 Pt -","- C228 H308 Cl12 P8 Pt4 -","4","1","","Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers","Polymer Chemistry","2018","9","14","1772","","10.1039/C7PY01886J","","","0.71075","MoKα","","0.1187","0.0784","","","0.2298","0.2588","","","","","","1.07","","","","has coordinates","230966","2020-10-21","18:00:00",""
"1548968","9.5747","0.0003","10.0025","0.0003","14.5919","0.0004","75.3868","0.0007","73.7957","0.0008","81.3096","0.0009","1293.65","0.07","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","- C62 H54 N2 O2 P2 Pt -","1","0.5","","Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers","Polymer Chemistry","2018","9","14","1772","","10.1039/C7PY01886J","","","0.71075","MoKα","","0.0258","0.0257","","","0.0619","0.062","","","","","","1.038","","","","has coordinates","230966","2020-10-21","18:00:00",""
"1548969","7.6914","0.0003","8.8535","0.0004","18.0798","0.0009","91.235","0.004","97.803","0.003","92.431","0.003","1218.2","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 O3 -","- C31 H27 N3 O3 -","- C62 H54 N6 O6 -","2","1","","Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L.","Spironaphthoxazine switchable dyes for biological imaging.","Chemical science","2018","9","11","3029","3040","10.1039/c8sc00130h","","","1.5418","CuKα","","0.0535","0.0407","","0.1168","0.1051","0.1166","","","","","","0.9898","","","","has coordinates","228854","2020-10-21","18:00:00",""
"1548970","21.138","0.002","21.616","0.002","21.948","0.002","118.123","0.005","106.659","0.006","99.169","0.006","7942","1.5","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","- C308 H374 N23 O12 P3 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.2733","0.1399","","","0.3574","0.4307","","","","","","1.343","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548971","19.692","0.0015","22.3708","0.0016","25.201","0.002","97.908","0.004","108.437","0.003","113.456","0.003","9208.2","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C365.84 H508.52 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","- C365.84 H508.522 Cl14.16 N26 O29.28 P7 -","1","0.5","","Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.","Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.","Chemical science","2018","9","11","2863","2872","10.1039/c7sc05290a","","","0.71073","MoKα","","0.1265","0.09","","","0.2693","0.3069","","","","","","1.021","","","","has coordinates,has disorder","228856","2020-10-21","18:00:00",""
"1548972","30.7456","0.0018","5.0266","0.0003","12.0636","0.0007","90","","98.43","0.002","90","","1844.24","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(4-Methylphenyl)methanaminium bromide hemihydrate","","- C8 H13 Br N O0.5 -","- C8 H13 Br N O0.5 -","- C64 H104 Br8 N8 O4 -","8","1","HB4211","Aarthi, R.; Thiruvalluvar, A.; Ramachandra Raja, C.","(4-Methylphenyl)methanaminium bromide hemihydrate","IUCrData","2018","3","2","x180270","","10.1107/S2414314618002705","","","0.71073","MoKα","","0.0365","0.0282","","","0.0631","0.0672","","","","","","1.058","","","","has coordinates,has Fobs","206532","2020-10-21","18:00:00",""
"1548973","4.7121","0.0009","18.752","0.004","13.856","0.003","90","","92.379","0.005","90","","1223.3","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(1,2,2-triiodovinyl)benzoic acid","3-(1,2,2-Triiodoethenyl)benzoic acid","","- C9 H5 I3 O2 -","- C9 H5 I3 O2 -","- C36 H20 I12 O8 -","4","1","LH4031","Szell, Patrick M.J.; Gabidullin, Bulat; Bryce, David L.","3-(1,2,2-Triiodoethenyl)benzoic acid","IUCrData","2018","3","2","x180258","","10.1107/S2414314618002584","","","0.71073","MoKα","","0.1265","0.0404","","","0.0595","0.0778","","","","","","0.985","","","","has coordinates,has disorder,has Fobs","206533","2020-10-21","18:00:00",""
"1548975","27.458","0.004","27.458","0.004","18.225","0.004","90","","90","","90","","13741","4","293","2","293","2","","","","","","","","5","I 4","I 4","79","","","","- C26 H15 N6 O11 Zn2 -","- C26 H13 N6 O11 Zn2 -","- C208 H104 N48 O88 Zn16 -","8","1","","Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying","A trichromatic MOF composite for multidimensional ratiometric luminescent sensing.","Chemical science","2018","9","11","2918","2926","10.1039/c8sc00021b","","","0.71073","synchrotron","","0.033","0.0323","","","0.0926","0.0931","","","","","","1.106","","","","has coordinates","228851","2020-10-21","18:00:00",""
"1548976","10.7604","0.0006","51.619","0.002","18.6745","0.0009","90","","98.394","0.003","90","","10261.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Zn-ortho-1-amide","","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C58.5 H43.5 F6 N6.5 O2.5 Zn -","- C468 H348 F48 N52 O20 Zn8 -","8","2","","Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J.","Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins.","Chemical science","2018","9","11","2952","2960","10.1039/c7sc04682k","","","0.71073","MoKα","","0.1143","0.0856","","","0.1706","0.1825","","","","","","1.109","","","","has coordinates,has disorder","228855","2020-10-21","18:00:00",""
"1548977","15.1723","0.0003","15.1723","0.0003","12.0747","0.0004","90","","90","","90","","2779.58","0.12","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.4CD4","","","- C9.4 H4 D5.61 O5 V -","- C9.403 H4 D5.608 O5 V -","- C75.224 H32 D44.864 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548978","15.1668","0.0004","15.1668","0.0004","12.0716","0.0004","90","","90","","90","","2776.85","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.5C2D6","","","- C10.63 H4 D8.95 O5 V -","- C10.984 H4 D8.952 O5 V -","- C87.872 H32 D71.616 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548979","15.16316","0.00015","15.16316","0.00015","12.0746","0.0002","90","","90","","90","","2776.21","0.06","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0CD4","","","- C9.01 H4 D4.06 O5 V -","- C9.0132 H4 D4.0568 O5 V -","- C72.1056 H32 D32.4544 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548980","15.1613","0.0003","15.1613","0.0003","12.0687","0.0003","90","","90","","90","","2774.17","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300(V3)-1.0C2D2","","","- C10 H4 D2 O5 V -","- C10.008 H4 D2.008 O5 V -","- C80.064 H32 D16.064 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548981","15.1594","0.0003","15.1594","0.0003","12.071","0.0003","90","","90","","90","","2774.01","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D4","","","- C10.14 H4 D4.28 O5 V -","- C10.14 H4 D4.28 O5 V -","- C81.12 H32 D34.24 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548982","15.1661","0.0003","15.1661","0.0003","12.0725","0.0003","90","","90","","90","","2776.8","0.1","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.0C2D6","","","- C10.07 H4 D6.2 O5 V -","- C10.068 H4 D6.204 O5 V -","- C80.544 H32 D49.632 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548983","15.1457","0.0004","15.1457","0.0004","12.0519","0.0004","90","","90","","90","","2764.61","0.14","7","","7","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","MFM-300V3-1.8C2D2","","","- C11.56 H4 D3.56 O5 V -","- C11.564 H4 D3.564 O5 V -","- C92.512 H32 D28.512 O40 V8 -","8","0.5","","Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.","Chemical science","2018","9","13","3401","3408","10.1039/c8sc00330k","powder diffraction","neutron","","neutron","","","","","","","","","","1.49","","","","","","","has coordinates","228778","2020-10-21","18:00:00",""
"1548984","10.9621","0.0004","12.9672","0.0005","13.9252","0.0005","111.325","0.002","99.442","0.002","105.532","0.002","1699.54","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 B5 F30 K5 -","- C15 H10 B5 F30 K5 -","- C30 H20 B10 F60 K10 -","2","1","","Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A.","Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies.","Chemical science","2018","9","12","3215","3220","10.1039/c7sc05420c","","","0.71073","MoKα","","0.032","0.0283","","","0.068","0.0704","","","","","","1.081","","","","has coordinates,has disorder","228863","2020-10-21","18:00:00",""
"1548985","34.0146","0.0011","4.9522","0.0002","23.4539","0.0007","90","","111.578","0.001","90","","3673.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","","- C22 H16 Br N3 O3 -","- C22 H16 Br N3 O3 -","- C176 H128 Br8 N24 O24 -","8","1","SJ4158","Filali Baba, Yassir; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar","(Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate","IUCrData","2018","3","2","x180288","","10.1107/S2414314618002882","","","1.54178","CuKα","","0.0458","0.0366","","","0.0868","0.0922","","","","","","1.034","","","","has coordinates,has Fobs","206611","2020-10-21","18:00:00",""
"1548986","8.1833","0.0002","15.4412","0.0004","15.525","0.0004","110.657","0.001","104.919","0.001","90.516","0.001","1762.9","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","","- C22 H14 O6 -","- C22 H14 O6 -","- C88 H56 O24 -","4","2","IS4025","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Ayoob, Mzgin M.; Hussein, Awaz J.","Bis(2-formylphenyl) benzene-1,2-dicarboxylate","IUCrData","2018","3","2","x180251","","10.1107/S2414314618002511","","","1.54178","CuKα","","0.0872","0.0537","","","0.131","0.153","","","","","","1.028","","","","has coordinates,has Fobs","206612","2020-10-21","18:00:00",""
"1548987","10.1922","0.0005","17.347","0.001","7.0216","0.0004","90","","92.382","0.005","90","","1240.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","","- C13 H8 Br N3 O2 -","- C13 H8 Br N3 O2 -","- C52 H32 Br4 N12 O8 -","4","1","HB4210","Sikine, Meriem; Kandri Rodi, Youssef; Ouzidan, Younes; Jasinski, Jerry P.; Kaur, Manpreet; Essassi, El Mokhtar","7-Bromo-1,4-bis(prop-2-ynyl)pyrido[2,3-<i>b</i>]pyrazine-2,3(1<i>H</i>,4<i>H</i>)-dione","IUCrData","2018","3","2","x180266","","10.1107/S2414314618002663","","","1.54184","CuKα","","0.0441","0.0359","","","0.0935","0.1009","","","","","","1.056","","","","has coordinates,has Fobs","206613","2020-10-21","18:00:00",""
"1548988","29.001","0.01","4.8412","0.0019","20.474","0.009","90","","113.16","0.02","90","","2642.9","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","1","","Dakir, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","6-Methyl-1-(nitromethyl)-4-(propan-2-yl)naphthalene","IUCrData","2018","3","2","x180274","","10.1107/S2414314618002742","","","0.71073","MoKα","","0.0539","0.0486","","","0.1278","0.1315","","","","","","1.087","","","","has coordinates,has Fobs","206614","2020-10-21","18:00:00",""
"1548989","6.861","0.003","10.695","0.004","23.818","0.01","90","","96.101","0.014","90","","1737.8","1.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,8-dimethyl-4,8-diaza-12-oxatriangulenium hexafluorophosphate","","- C21 H15 F6 N2 O P -","- C21 H15 F6 N2 O P -","- C84 H60 F24 N8 O4 P4 -","4","0.5","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.1018","0.0695","","","0.2257","0.235","","","","","","1.228","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548990","8.4805","0.0005","8.5013","0.0004","14.7698","0.0008","74.017","0.002","89.013","0.002","64.503","0.002","917.65","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","12,12-dimethylbenzo[8,1]isochromeno[3,4,5,6-klmn]xanthenium hexafluorophosphate","","- C22 H15 F6 O2 P -","- C22 H15 F6 O2 P -","- C44 H30 F12 O4 P2 -","2","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0823","0.0436","","","0.0934","0.1063","","","","","","1.015","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548991","14.162","0.003","15.264","0.004","20.039","0.005","87.939","0.005","85.555","0.008","62.365","0.008","3826.1","1.6","122.4","","122.4","","","","","","","","","6","P -1","-P 1","2","","'8,12,12-trimethyl-8,12-dihydro-3a2H-benzo[8,1]isochromeno[3,4,5,6-klmn] acridinium hexafluorophosphate'","","- C23 H18 F6 N O P -","- C23 H18 F6 N O P -","- C184 H144 F48 N8 O8 P8 -","8","4","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.2891","0.2362","","","0.5448","0.5657","","","","","","2.056","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548992","14.5591","0.0008","21.6499","0.0015","13.0273","0.0009","90","","90","","90","","4106.2","0.5","123","","123","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4,8,12,12-tetramethyl-8,12-dihydrobenzo[8,1]isoquinolino[3,4,5,6-klmn]acridinium hexafluorophosphate","","- C24 H21 F6 N2 P -","- C24 H21 F6 N2 P -","- C192 H168 F48 N16 P8 -","8","1","","Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W.","Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission.","Chemical science","2018","9","12","3122","3130","10.1039/c8sc00089a","","x-ray","0.71073","MoKα","","0.0872","0.0435","","","0.0858","0.1015","","","","","","1.041","","","","has coordinates","228865","2020-10-21","18:00:00",""
"1548993","10.0222","0.0008","12.1506","0.0011","16.0254","0.0014","69.063","0.004","75.075","0.004","81.389","0.004","1757.6","0.3","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C35 H35 Cl2 F3 N8 Ni O3 S -","- C70 H70 Cl4 F6 N16 Ni2 O6 S2 -","2","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0375","0.0288","","","0.0711","0.0755","","","","","","1.032","","","","has coordinates,has disorder","228776","2020-10-21","18:00:00",""
"1548994","17.6983","0.0015","6.2954","0.0006","17.442","0.0015","90","","102.677","0.003","90","","1896","0.3","135","","135","","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N -","- C22 H35 N -","- C88 H140 N4 -","4","1","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.0445","0.0392","","","0.0964","0.1002","","","","","","1.061","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548995","10.1802","0.0007","20.4136","0.0017","26.689","0.002","90","","90","","90","","5546.4","0.7","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N8 Ni -","- C33 H33 N8 Ni -","- C264 H264 N64 Ni8 -","8","2","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.041","0.0308","","","0.0692","0.0711","","","","","","0.946","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1548996","8.4561","0.0003","8.5762","0.0003","12.4229","0.0004","110.047","0.0009","111.941","0.001","90.1156","0.0011","776.24","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F3 N O4 S -","- C16 H12 F3 N O4 S -","- C32 H24 F6 N2 O8 S2 -","2","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0346","","","","0.1547","","","","","","1.131","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548997","16.8152","0.0003","15.0512","0.0003","17.5637","0.0004","90","","90","","90","","4445.18","0.16","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C200 H176 F24 N8 O24 S8 -","8","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0447","","","","0.1214","","","","","","1.135","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548998","16.8716","0.0004","7.8975","0.0002","16.7075","0.0005","90","","90.3044","0.001","90","","2226.13","0.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.0343","","","","0.0928","","","","","","1.052","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1548999","14.6966","0.0003","9.1174","0.00017","17.3812","0.0004","90","","116.062","0.0007","90","","2092.17","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 N O4 S -","- C23 H20 F3 N O4 S -","- C92 H80 F12 N4 O16 S4 -","4","1","","Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio","Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis.","Chemical science","2018","9","13","3276","3281","10.1039/c7sc05447e","","","0.71075","MoKα","","","0.035","","","","0.1015","","","","","","1.096","","","","has coordinates","228775","2020-10-21","18:00:00",""
"1549000","7.5406","0.0002","7.8875","0.0003","8.9868","0.0003","90","","95.198","0.003","90","","532.31","0.03","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 O4 S2 -","- C9 H12 O4 S2 -","- C18 H24 O8 S4 -","2","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0624","0.0624","","","","","","1.069","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549001","7.5535","0.0001","12.2965","0.0001","19.9749","0.0002","90","","90","","90","","1855.3","0.03","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S2 -","- C7 H10 O3 S2 -","- C56 H80 O24 S16 -","8","2","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0254","0.0244","","","0.063","0.0637","","","","","","1.073","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549002","6.0784","0.0003","9.833","0.0004","17.9994","0.0009","90","","90","","90","","1075.8","0.09","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O5 S -","- C9 H12 O5 S -","- C36 H48 O20 S4 -","4","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","0.71073","MoKα","","0.0514","0.0422","","","0.0792","0.0833","","","","","","1.031","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549003","9.746","0.002","25.413","0.003","11.319","0.002","90","","105.55","0.02","90","","2700.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Li2 N6 -","- C28 H44 Li2 N6 -","- C112 H176 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0502","0.0427","","","0.1126","0.1184","","","","","","1.062","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549004","12.7937","0.0003","9.7101","0.0003","18.6728","0.0005","90","","94.3121","0.001","90","","2313.12","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 Li2 N6 -","- C20 H36 Li2 N6 -","- C80 H144 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.025","0.025","","","","0.026","0.022","","","","","1.577","","","","has coordinates","228867","2020-10-21","18:00:00",""
"1549005","13.864","0.003","30.46","0.003","9.851","0.002","90","","105.18","0.02","90","","4014.9","1.3","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Li2 N6 -","- C40 H68 Li2 N6 -","- C160 H272 Li8 N24 -","4","1","","Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.","Chemical science","2018","9","12","3111","3121","10.1039/c7sc05368a","","","0.71073","MoKα","","0.0652","0.0452","","","0.1054","0.117","","","","","","1.049","","","","has coordinates,has disorder","228867","2020-10-21","18:00:00",""
"1549006","8.9229","0.0005","18.8922","0.001","9.7147","0.0005","90","","104.879","0.001","90","","1582.73","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4<i>Z</i>)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","HB4207","Samba, Mohamed; Minnih, Mohamed Said; El Bakri, Youness; Essassi, El Mokhtar; Mague, Joel T.","A monoclinic modification of (4<i>Z</i>)-1-benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","2","x180326","","10.1107/S2414314618003267","","","0.71073","MoKα","","0.0476","0.043","","","0.115","0.1196","","","","","","1.029","","","","has coordinates,has Fobs","206721","2020-10-21","18:00:00",""
"1549007","10.4838","0.0007","6.8965","0.0005","12.8538","0.0009","90","","90","","90","","929.35","0.11","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-amino-4,5-dimethylacetophenone","1-(2-Amino-4,5-dimethylphenyl)ethanone","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","0.5","SJ4164","Bosch, Eric; Jeffries, Laura","1-(2-Amino-4,5-dimethylphenyl)ethanone","IUCrData","2018","3","2","x180313","","10.1107/S2414314618003139","","","0.71073","MoKα","","0.0522","0.0399","","","0.1047","0.1162","","","","","","1.087","","","","has coordinates,has Fobs","206722","2020-10-21","18:00:00",""
"1549008","8.7269","0.0004","8.1173","0.0005","13.0392","0.0009","90","","94.329","0.007","90","","921.05","0.1","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54187","CuKα","","0.1217","0.0514","","","0.0991","0.1403","","","","","","1.031","","","","has coordinates","206732","2020-10-21","18:00:00",""
"1549009","13.2449","0.0019","10.3812","0.0014","14.78","0.0017","90","","93.224","0.007","90","","2029","0.5","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","2","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54187","CuKα","","0.3268","0.1103","","","0.2562","0.3781","","","","","","0.944","","","","has coordinates,has disorder","206733","2020-10-21","18:00:00",""
"1549010","7.8136","0.0004","22.8068","0.0011","65.613","0.005","90","","90","","90","","11692.4","1.2","293","","293","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C41 H64 O9 -","- C41 H64 O9 -","- C492 H768 O108 -","12","1.5","","Remy, Simon; Olivon, Florent; Desrat, Sandy; Blanchard, Florent; Eparvier, Véronique; Leyssen, Pieter; Neyts, Johan; Roussi, Fanny; Touboul, David; Litaudon, Marc","Structurally Diverse Diterpenoids from Sandwithia guyanensis","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b01025","","","1.54178","CuKα","","0.1997","0.0795","","","0.1422","0.1907","","","","","","0.944","","","","has coordinates,has disorder","206734","2020-10-21","18:00:00",""
"1549011","15.9555","0.0008","11.5878","0.0004","17.1391","0.0008","90","","116.061","0.006","90","","2846.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl F6 N2 P Rh -","- C27 H29 Cl F6 N2 P Rh -","- C108 H116 Cl4 F24 N8 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0489","0.0378","","","0.0925","0.0999","","","","","","1.027","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549012","12.9507","0.0009","8.31","0.0007","10.5094","0.0008","90","","90","","90","","1131.02","0.15","296","2","296","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C20 H23 Cl F6 N2 P Rh -","- C20 H23 Cl F6 N2 P Rh -","- C40 H46 Cl2 F12 N4 P2 Rh2 -","2","0.5","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0328","0.0303","","","0.0719","0.0758","","","","","","1.047","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549013","8.51582","0.00016","13.5384","0.0004","14.2569","0.0003","94.5969","0.0019","92.9146","0.0016","92.6758","0.0018","1634.15","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H37 Cl F6 N2 O2 P Rh -","- C31 H37 Cl F6 N2 O2 P Rh -","- C62 H74 Cl2 F12 N4 O4 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.051","0.0382","","","0.0766","0.0832","","","","","","1.033","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549014","8.7508","0.0004","14.4955","0.0006","14.5101","0.0006","84.91","0.003","74.415","0.004","82.382","0.003","1754.53","0.14","568","2","568","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H35 Cl F6 N2 O P Rh -","- C36 H35 Cl F6 N2 O P Rh -","- C72 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","","0.71073","MoKα","","0.0504","0.0415","","","0.1089","0.1162","","","","","","1.038","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549015","9.84864","0.00019","10.1712","0.0003","16.1627","0.0003","101.363","0.002","90.9323","0.0017","109.801","0.002","1487.41","0.06","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H28 F12 N3 O0.5 P2 Rh -","- C25 H28 F12 N3 O0.5 P2 Rh -","- C50 H56 F24 N6 O P4 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0532","0.0482","","","0.1226","0.1266","","","","","","1.04","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549016","8.0233","0.0004","28.1842","0.0013","16.1096","0.0008","90","","94.393","0.004","90","","3632.2","0.3","150","0.1","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl F6 N2 O P Rh -","- C36 H39 Cl F6 N2 O P Rh -","- C144 H156 Cl4 F24 N8 O4 P4 Rh4 -","4","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.1198","0.0706","","","0.1633","0.1915","","","","","","1.025","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549017","8.40215","0.00019","12.9603","0.0003","15.392","0.0004","80","0.002","86.442","0.002","86.175","0.002","1644.79","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H35 Cl F6 N2 O P Rh -","- C34 H35 Cl F6 N2 O P Rh -","- C68 H70 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0883","0.0897","","","","","","1.051","","","","has coordinates","228866","2020-10-21","18:00:00",""
"1549018","8.20707","0.00008","10.08952","0.00012","17.2032","0.0003","82.3397","0.0011","81.4575","0.0011","84.0175","0.0009","1390.95","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H29 Cl F6 N2 O P Rh -","- C28 H29 Cl F6 N2 O P Rh -","- C56 H58 Cl2 F12 N4 O2 P2 Rh2 -","2","1","","Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J.","New activation mechanism for half-sandwich organometallic anticancer complexes.","Chemical science","2018","9","12","3177","3185","10.1039/c7sc05058e","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0642","0.0681","","","","","","1.057","","","","has coordinates,has disorder","228866","2020-10-21","18:00:00",""
"1549019","11.232","0.002","12.283","0.003","4.401","0.001","90","","90","","90","","607.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","2,2'-(Disulfanediyl)bis(pyridine <i>N</i>-oxide)‒hydrogen peroxide (1/1)","","- C10 H10 N2 O4 S2 -","- C10 H10 N2 O4 S2 -","- C20 H20 N4 O8 S4 -","2","0.5","HB4208","Lynch, Will; Padgett, Clifford W.","2,2′-Disulfanediylbis(pyridine N-oxide)‒hydrogen peroxide (1/1)","IUCrData","2018","3","3","","","10.1107/S2414314618003206","","","0.71075","MoKα","","0.0256","0.024","","","0.0584","0.059","","","","","","1.045","","","","has coordinates,has Fobs","206764","2020-10-21","18:00:00",""
"1549020","12.6727","0.0018","15.398","0.003","11.9061","0.0015","90","","110.633","0.006","90","","2174.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O3 S -","- C27 H20 N2 O3 S -","- C108 H80 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0929","0.0508","","","0.1309","0.1574","","","","","","0.917","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549021","7.089","0.008","7.256","0.008","13.569","0.015","85.46","0.03","77.9","0.03","70.37","0.03","642.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C30 H22 N2 O6 S2 -","2","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.119","0.0577","","","0.1364","0.1751","","","","","","0.812","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549022","25.719","0.007","7.5368","0.0018","11.759","0.003","90","","116.39","0.01","90","","2041.8","0.9","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H18 N2 O3 S -","- C27 H18 N2 O3 S -","- C108 H72 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.1027","0.0521","","","0.1205","0.1454","","","","","","0.887","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549023","8.172","0.003","9.666","0.003","20.305","0.007","90","","99.512","0.011","90","","1581.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha","Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields.","Chemical science","2018","9","14","3592","3606","10.1039/c8sc00143j","","","0.71073","MoKα","","0.0762","0.0469","","","0.1295","0.1534","","","","","","1.015","","","","has coordinates","228780","2020-10-21","18:00:00",""
"1549024","9.904","0.0003","9.9455","0.0004","11.4559","0.0005","107.381","0.002","98.533","0.002","111.288","0.002","960.64","0.07","183","","183","2","","","","","","","Local laboratory","4","P -1","-P 1","2","","3-(N'-phenyl)piperazino-7H-benzo[de]anthracen-7-one","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C54 H44 N4 O2 -","2","1","","Shivraj, ?; Siddlingeshwar, B.; Kirilova, Elena M.; Belyakov, Sergey V.; Divakar, Darshan Devang; Alkheraif, Abdulaziz Abdullah","Photophysical properties of benzanthrone derivatives: effect of substituent, solvent polarity and hydrogen bonding.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","453","464","10.1039/C7PP00392G","","","0.71073","MoKα","","0.109","0.068","","0.291","0.283","0.283","","","1.126","1.199","1.199","1.192","","","","has coordinates","230894","2020-10-21","18:00:00",""
"1549025","10.3648","0.0015","11.5481","0.0017","12.5472","0.0019","81.87","0.005","77.716","0.005","87.248","0.005","1452.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N4 O3 -","- C32 H40 N4 O3 -","- C64 H80 N8 O6 -","2","1","","Molla, Habib Ali; Bhowmick, Rahul; Islam, Abu Saleh Musha; Show, Bibhutibhushan; Mukherjee, Nillohit; Mondal, Anup; Ali, Mahammad","A turn-on fluorogenic chemosensor for Fe<sup>3+</sup> and a Schottky barrier diode with frequency-switching device applications.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","465","473","10.1039/C7PP00322F","","","0.71073","MoKα","","0.1314","0.0657","","","0.2057","0.2819","","","","","","0.995","","","","has coordinates","230893","2020-10-21","18:00:00",""
"1549026","16.255","0.003","18.811","0.004","23.568","0.004","90","","93.435","0.009","90","","7194","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C159 H132 N23 O29 Zn6 -","- C159 H132 N23 O29 Zn6 -","- C318 H264 N46 O58 Zn12 -","2","0.5","","Kim, Hyun-Chul; Huh, Seong; Lee, Do Nam; Kim, Youngmee","Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4820","4826","10.1039/C7DT04134A","","","0.71073","MoKα","","0.1803","0.1197","","","0.164","0.1923","","","","","","1.08","","","","has coordinates,has disorder","229765","2020-10-21","18:00:00",""
"1549027","10.7074","0.0007","14.8797","0.001","15.0461","0.001","112.453","0.003","94.452","0.003","108.095","0.003","2052.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 N6 O8 Zn2 -","- C48 H30 N6 O8 Zn2 -","- C96 H60 N12 O16 Zn4 -","2","1","","Kim, Hyun-Chul; Huh, Seong; Lee, Do Nam; Kim, Youngmee","Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4820","4826","10.1039/C7DT04134A","","","0.71073","MoKα","","0.084","0.0771","","","0.2389","0.2434","","","","","","1.097","","","","has coordinates","229765","2020-10-21","18:00:00",""
"1549028","7.5979","0.0005","14.0001","0.001","19.629","0.0012","90","","90","","90","","2088","0.2","170.8","","170.8","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C92 H104 Br8 O8 -","4","1","","Chang, Shirui; Wang, Lei; Lin, Xufeng","Synthesis and application of a new hexamethyl-1,1'-spirobiindane-based chiral bisphosphine (HMSI-PHOS) ligand in asymmetric allylic alkylation.","Organic & biomolecular chemistry","2018","16","13","2239","2247","10.1039/c8ob00279g","","","0.71073","MoKα","","0.0443","0.0354","","","0.0781","0.0832","","","","","","1.017","","","","has coordinates","230785","2020-10-21","18:00:00",""
"1549029","19.9066","0.0006","19.9066","0.0006","16.1991","0.0009","90","","90","","90","","6419.3","0.4","150.02","0.1","150.02","0.1","","","","","","","","7","I 4","I 4","79","","","","- C86 H162 Co Cr7 F8 N O33 -","- C86 H156 Co Cr7 F8 N O33 -","- C172 H312 Co2 Cr14 F16 N2 O66 -","2","0.25","","Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano","Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions.","Chemical science","2018","9","14","3555","3562","10.1039/c8sc00163d","","x-ray","0.71073","MoKα","","0.0839","0.0675","","","0.1852","0.2016","","","","","","1.051","","","","has coordinates,has disorder","228781","2020-10-21","18:00:00",""
"1549030","6.83018","0.00008","26.1293","0.0003","7.49108","0.00009","90","","90","","90","","1336.92","0.03","293","","293","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Zhang, Chen; Wen, Ran; Ma, Xiao-Li; Zeng, Ke-Wu; Xue, Yang; Zhang, Pu-Ming; Zhao, Ming-Bo; Jiang, Yong; Liu, Guo-Qing; Tu, Peng-Fei","Nitric Oxide Inhibitory Sesquiterpenoids and Its Dimers from Artemisia freyniana.","Journal of natural products","2018","","","","","10.1021/acs.jnatprod.7b00947","","x-ray","1.54184","CuKα","","0.0523","0.0456","","","0.1088","0.1169","","","","","","1.148","","","","has coordinates","206864","2020-10-21","18:00:00",""
"1549031","6.812","0.0006","22.167","0.002","9.4317","0.0008","90","","91.2974","0.001","90","","1423.8","0.2","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0428","0.0362","","","0.0835","0.0878","","","","","","0.98","","","","has coordinates","227639","2020-10-21","18:00:00",""
"1549032","7.6447","0.0002","13.1287","0.0004","29.1836","0.0008","90","","90","","90","","2929.01","0.14","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C128 H128 N32 O8 -","8","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0602","0.0421","","","0.1165","0.1349","","","","","","1.085","","","","has coordinates","227639","2020-10-21","18:00:00",""
"1549033","8.347","0.0005","8.347","0.0005","10.218","0.0007","90","","90","","120","","616.53","0.07","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C H5 Br3 N2 Pb -","- C Br3 N1.98 Pb -","- C3 Br9 N5.94 Pb3 -","3","0.166667","","Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D.","Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ?","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.8b00602","","","0.71073","MoKα","","0.0369","0.0369","","","0.0842","0.0842","","","","","","1.109","","","","has coordinates","206869","2020-10-21","18:00:00",""
"1549034","5.7379","0.0003","5.7379","0.0003","5.7379","0.0003","90","","90","","90","","188.912","0.017","295","2","295","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C H5 Cl3 N2 Pb -","- C1.0002 Cl3 N1.9992 Pb -","- C1.0002 Cl3 N1.9992 Pb -","1","0.0208333","","Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D.","Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ?","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.8b00602","","","0.71073","MoKα","","0.0229","0.0216","","","0.0394","0.0398","","","","","","1.162","","","","has coordinates","206870","2020-10-21","18:00:00",""
"1549035","12.37","0.003","8.1257","0.0014","9.943","0.0018","90","","97.638","0.006","90","","990.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 N3 O10 P -","- C3 H6 N3 O10 P -","- C12 H24 N12 O40 P4 -","4","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0944","0.0802","","","0.1749","0.1819","","","","","","0.871","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549036","7.6451","0.0014","7.8238","0.0017","8.9723","0.0015","100.557","0.019","96.753","0.019","114.76","0.014","467.59","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N3 O9 -","- C4 H7 N3 O9 -","- C8 H14 N6 O18 -","2","1","","Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N.","Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.","Chemical science","2018","9","15","3649","3663","10.1039/c8sc00903a","","","0.71073","MoKα","","0.0935","0.0738","","","0.1798","0.2054","","","","","","0.979","","","","has coordinates","228815","2020-10-21","18:00:00",""
"1549037","7.3502","0.0004","17.3508","0.001","17.9449","0.001","118.226","0.001","100.042","0.001","92.294","0.001","1965.63","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-Benzyl-3-methyl-quinoxalin-2(1<i>H</i>)-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C96 H84 N12 O6 -","6","3","SJ4167","Ramli, Youssef; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","1-Benzyl-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","3","x180390","","10.1107/S2414314618003905","","","0.71073","MoKα","","0.0584","0.0446","","","0.1178","0.1241","","","","","","1.043","","","","has coordinates,has Fobs","206894","2020-10-21","18:00:00",""
"1549038","10.561","0.006","5.156","0.003","12.504","0.007","90","","90.606","0.009","90","","680.8","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-[(4-Fluorophenyl)(methyl)amino]-3,4,5,6-tetrahydroxyhexan-2-one","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<i>D</i>-<i>arabino</i>-hexulose","","- C13 H18 F N O5 -","- C13 H18 F N O5 -","- C26 H36 F2 N2 O10 -","2","1","LH4033","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","1-Deoxy-1-(<i>N</i>-methyl-4-fluorophenylamino)-<small>D</small>-<i>arabino</i>-hexulose","IUCrData","2018","3","3","x180369","","10.1107/S2414314618003693","","","0.71073","MoKα","","0.0934","0.0421","","","0.0864","0.1003","","","","","","0.949","","","","has coordinates,has Fobs","206895","2020-10-21","18:00:00",""
"1549039","5.73982","0.00006","11.50723","0.00013","8.39608","0.00009","90","","90","","90","","554.556","0.01","","","","","","","","","","","","3","I m m a","-I 2b 2","74","Zn2SiO4 modified spinel","","Zn2SiO4 wadsleyite phase","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","0.5","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273021","2022-02-18","04:14:06",""
"1549040","8.35436","0.00007","8.35436","0.00007","8.35436","0.00007","90","","90","","90","","583.095","0.008","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","Zn2GeO4 cubic spinel","","Zn2GeO4 cubic spinel","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge8 O32 Zn16 -","8","0.0416667","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273022","2022-02-18","04:17:12",""
"1549041","5.93787","0.00002","5.93787","0.00002","8.25629","0.00004","90","","90","","90","","291.103","0.002","","","","","","","","","","","","3","P 43 2 2","P 4cw 2c","95","Zn2GeO4 tetragonal spinel","","Zn2GeO4 tetragonal spinel","- Ge O4 Zn2 -","- Ge O4 Zn2 -","- Ge4 O16 Zn8 -","4","0.5","","Kanzaki, M.","Crystal structures of Zn2GeO4 cubic/tetragonal spinel and Zn2SiO4 modified spinel phases","Journal of Mineralogical and Petrological Sciences","2018","113","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","273023","2022-02-18","04:18:45",""
"1549042","19.5805","0.0002","9.7595","0.0001","8.9644","0.0001","90","","103.158","0.0012","90","","1668.08","0.03","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 B F4 N2 O -","- C17 H19 B F4 N2 O -","- C68 H76 B4 F16 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0399","0.0361","","0.0971","0.0942","0.0971","","","","","","0.9896","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549043","9.49835","0.00014","11.89113","0.00017","22.8675","0.0003","90","","90","","90","","2582.8","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0281","0.0272","","0.0713","0.0703","0.0713","","","","","","0.992","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549044","5.40542","0.00018","6.94898","0.00018","16.0701","0.0004","90","","95.864","0.003","90","","600.47","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C20 H32 I2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0278","0.0254","","","0.0629","0.0642","","","","","","1.075","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549045","15.1489","0.0004","13.2904","0.0004","24.594","0.0008","90","","97.293","0.003","90","","4911.6","0.3","159.95","0.1","159.95","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H66 Cl2 N10 O16 -","- C40 H66 Cl2 N10 O16 -","- C160 H264 Cl8 N40 O64 -","4","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1208","0.125","","","","","","1.07","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549046","18.7661","0.0005","8.8339","0.0002","9.6084","0.0003","90","","100.318","0.003","90","","1567.1","0.07","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O -","- C17 H19 Cl N2 O -","- C68 H76 Cl4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0406","0.0381","","0.0965","0.0949","0.0965","","","","","","0.9683","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549047","7.10113","0.0001","13.625","0.0002","20.6821","0.0003","90","","91.5054","0.0012","90","","2000.36","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N5 O3 -","- C19 H24 Cl N5 O3 -","- C76 H96 Cl4 N20 O12 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0456","0.0408","","","0.1095","0.1143","","","","","","1.032","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549048","13.5545","0.0002","5.84781","0.00007","14.1657","0.0002","90","","110.071","0.002","90","","1054.64","0.03","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H32 N2 O6 -","- C22 H32 N2 O6 -","- C44 H64 N4 O12 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0418","0.0337","","","0.0811","0.0864","","","","","","1.05","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549049","24.3732","0.0002","10.4084","0.0001","9.9932","0.0001","90","","93.1701","0.0009","90","","2531.26","0.04","160","","160","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 F18 K N3 P2 S -","- C14 H18 F18 K N3 P2 S -","- C56 H72 F72 K4 N12 P8 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0496","0.0441","","0.1087","0.1053","0.1087","","","","","","1.0134","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549050","8.6454","0.0001","9.463","0.0001","20.0392","0.0002","90","","96.753","0.0009","90","","1628.06","0.03","160","","160","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H42 N4 O8 S -","- C34 H42 N4 O8 S -","- C68 H84 N8 O16 S2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0441","0.0417","","0.1063","0.1038","0.1063","","","","","","0.954","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549051","20.7561","0.0002","9.5134","0.0001","8.5352","0.0001","90","","96.5078","0.0009","90","","1674.51","0.03","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N2 O5 P -","- C17 H21 N2 O5 P -","- C68 H84 N8 O20 P4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0312","0.0294","","0.0761","0.075","0.0761","","","","","","0.9648","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549052","10.9874","0.0001","14.2737","0.0001","23.2106","0.0001","90","","90.2783","0.0005","90","","3640.1","0.04","160","","160","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br F6 N3 S -","- C14 H18 Br F6 N3 S -","- C112 H144 Br8 F48 N24 S8 -","8","2","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0233","0.0224","","0.0565","0.056","0.0565","","","","","","1.001","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549053","8.81","0.0001","9.7133","0.0002","21.7147","0.0004","90","","100.169","0.0016","90","","1829.03","0.06","160","2","160","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H48.7 N4 O11.35 -","- C38 H48 N4 O11.348 -","- C76 H96 N8 O22.696 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0451","0.0411","","","0.1118","0.1144","","","","","","1.049","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549054","19.8981","0.0007","8.0213","0.0002","10.8806","0.0003","90","","100.435","0.003","90","","1707.92","0.09","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0401","0.0338","","0.0873","0.0819","0.0873","","","","","","0.977","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549055","19.6674","0.0003","8.1224","0.0001","10.8447","0.0002","90","","105.289","0.0016","90","","1671.09","0.05","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0246","0.0226","","0.0622","0.0605","0.0622","","","","","","0.9797","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549056","7.32726","0.00012","18.9411","0.0003","25.6662","0.0005","90","","90","","90","","3562.12","0.11","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C120 H192 I12 N12 O12 -","12","3","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0258","0.0225","","","0.0472","0.048","","","","","","1.067","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549057","7.2565","0.0003","6.1232","0.0003","12.557","0.0006","90","","102.256","0.005","90","","545.23","0.04","160","0.1","160","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl N O -","- C10 H16 Cl N O -","- C20 H32 Cl2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","x-ray","0.71073","MoKα","","0.0338","0.0302","","","0.0722","0.0737","","","","","","1.059","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549058","6.09862","0.00006","7.52704","0.00009","27.3811","0.0003","90","","90","","90","","1256.92","0.02","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O S -","- C11 H16 N2 O S -","- C44 H64 N8 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0267","0.0258","","","0.0672","0.0676","","","","","","1.048","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549059","22.3684","0.0007","8.4156","0.0001","15.6852","0.0004","90","","130.585","0.005","90","","2242.36","0.19","160","","160","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H46 N4 O16 Sb2 -","- C42 H46 N4 O16 Sb2 -","- C84 H92 N8 O32 Sb4 -","2","0.5","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0458","0.0453","","0.1194","0.1189","0.1194","","","","","","0.9417","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549060","10.1433","0.0004","18.6189","0.0006","14.0467","0.0005","90","","99.569","0.003","90","","2615.91","0.16","160","","160","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0721","0.0578","","0.148","0.1365","0.1478","","","","","","1.0133","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549061","7.4467","0.0002","6.20961","0.00016","12.5863","0.0004","90","","101.176","0.003","90","","570.97","0.03","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 Br N O -","- C10 H16 Br N O -","- C20 H32 Br2 N2 O2 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.038","0.0303","","","0.0716","0.0749","","","","","","1.045","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549062","9.0081","0.0001","9.3218","0.0001","19.4957","0.0002","90","","95.351","0.0009","90","","1629.95","0.03","160","","160","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O8 -","- C36 H38 N4 O8 -","- C72 H76 N8 O16 -","2","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0356","0.0344","","0.0984","0.0973","0.0984","","","","","","0.9838","","","","has coordinates,has disorder","228818","2020-10-21","18:00:00",""
"1549063","12.9279","0.0002","12.5457","0.00015","13.139","0.00015","90","","109.843","0.0012","90","","2004.48","0.05","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl I N5 O -","- C19 H23 Cl I N5 O -","- C76 H92 Cl4 I4 N20 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0527","0.0336","","","0.0626","0.0684","","","","","","1.025","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549064","19.675","0.011","16.984","0.01","8.859","0.005","90","","95.45","0.009","90","","2947","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 N4 O2 -","- C35 H35 N4 O2 -","- C140 H140 N16 O8 -","4","1","","Andrews, M. Crawford; Peng, Ping; Rajput, Amit; Cozzolino, Anthony F.","Modulation of the carboxamidine redox potential through photoinduced spiropyran or fulgimide isomerisation.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","4","432","441","10.1039/c7pp00347a","","","0.71073","MoKα","","0.2281","0.1172","","","0.2797","0.3399","","","","","","0.973","","","","has coordinates","230891","2020-10-21","18:00:00",""
"1549065","16.7219","0.0003","6.90389","0.00013","23.0811","0.0004","90","","99.502","0.007","90","","2628.07","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","","- C14 H11 Br2 N O2 -","- C14 H11 Br2 N O2 -","- C112 H88 Br16 N8 O16 -","8","2","IS4026","Pal, Tarun Kumar; Hossain, Md Dulal; Sheikh, Md Chanmiya; Miyatake, Ryuta; Alam, Md Ashraful","2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone","IUCrData","2018","3","3","x180388","","10.1107/S2414314618003887","","","1.54187","CuKα","","0.0322","0.0293","","","0.073","0.0743","","","","","","1.077","","","","has coordinates,has Fobs","206945","2020-10-21","18:00:00",""
"1549066","29.5823","0.001","15.1971","0.0008","7.4303","0.0002","90","","90","","90","","3340.4","0.2","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide","","- C15 H21 N3 O2 S -","- C15 H21 N3 O2 S -","- C120 H168 N24 O16 S8 -","8","1","SU5423","Chaurasia, Rahul; Bharti, Akhilesh; Butcher, Ray J.; Wikaira, Jan L.; Bharty, Manoj K.","4-Cyclohexyl-1-(2-methoxybenzoyl)thiosemicarbazide with an unknown solvent","IUCrData","2018","3","3","x180383","","10.1107/S2414314618003838","","","0.71073","MoKα","","0.081","0.0512","","","0.1222","0.1412","","","","","","1.005","","","","has coordinates,has Fobs","206946","2020-10-21","18:00:00",""
"1549067","6.1903","0.0003","35.9841","0.0018","14.2498","0.0007","90","","98.3233","0.0017","90","","3140.7","0.3","","","119.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18.5 N4 -","- C18 H18.5 N4 -","- C144 H148 N32 -","8","2","","Bazley, Isabel J.; Erie, Ellen A.; Feiereisel, Garrett M.; LeWarne, Christopher J.; Peterson, Jack M.; Sandquist, Katherine L.; Oshin, Kayode D.; Zeller, Matthias","X-ray Crystallography Analysis of Complexes Synthesized with Tris(2-pyridylmethyl)amine: A Laboratory Experiment for Undergraduate Students Integrating Interdisciplinary Concepts and Techniques","Journal of Chemical Education","2018","","","","","10.1021/acs.jchemed.7b00685","","","0.71073","MoKα","","0.2028","0.1748","","","0.4848","0.5057","","","","","","4.0807","","","","has coordinates","206950","2020-10-21","18:00:00",""
"1549068","15.3025","0.0006","16.0955","0.0006","22.2445","0.0009","94.998","0.002","108.991","0.002","92.221","0.002","5147.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C140.5 H113.5 Cl5.5 O1.5 -","- C119 H94 Cl2 O -","- C238 H188 Cl4 O2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.1171","0.0996","","","0.2829","0.3003","","","","","","1.054","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549069","14.3675","0.0008","17.3718","0.0011","18.9206","0.0012","67.525","0.003","86.143","0.003","89.598","0.003","4352.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H103 F3 O4 S -","- C116 H103 F3 O4 S -","- C232 H206 F6 O8 S2 -","2","1","","Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence.","Chemical science","2018","9","16","3917","3924","10.1039/c8sc00427g","","","1.54178","CuKα","","0.0872","0.072","","","0.1869","0.2004","","","","","","1.036","","","","has coordinates","228750","2020-10-21","18:00:00",""
"1549070","6.2081","0.0003","19.8715","0.0011","20.2149","0.0011","90","","90","","90","","2493.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C120 H152 O20 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Li, Zheng-Hui; Huang, Ying; Zhang, Shuai-Bing; Tang, Yang; Yao, Jian-Neng; Chen, Lin; Isaka, Masahiko; Feng, Tao; Liu, Ji-Kai","Antiproliferative and Anti-inflammatory Lanostane Triterpenoids from the Polish Edible Mushroom Macrolepiota procera.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.8b00287","","","1.54178","CuKα","","0.0547","0.0493","","","0.1274","0.1319","","","","","","1.061","","","","has coordinates","206962","2020-10-21","18:00:00",""
"1549071","29.6903","0.0007","17.3784","0.0004","30.3868","0.0006","90","","110.373","0.0006","90","","14697.9","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag19 Au O24 P12 S24 -","- C75 H175 Ag18.9999 Au O24 P12 S24 -","- C300 H700 Ag75.9996 Au4 O96 P48 S96 -","4","1","","Lin, Yan-Ru; Kishore, Pilli V. V. N.; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis, structural characterization and transformation of an eight-electron superatomic alloy, [Au@Ag<sub>19</sub>{S<sub>2</sub>P(OPr)<sub>2</sub>}<sub>12</sub>].","Nanoscale","2018","10","15","6855","6860","10.1039/c8nr00172c","","","0.71073","MoKα","","0.0574","0.0426","","","0.1012","0.1153","","","","","","1.033","","","","has coordinates,has disorder","230156","2020-10-21","18:00:00",""
"1549072","24.7978","0.0006","14.1129","0.0003","20.1547","0.0004","90","","96.645","0.001","90","","7006.1","0.3","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C75 H61 B Cl5 F4 O3 Os P3 S2 -","- C75 H61 B Cl5 F4 O3 Os P3 S2 -","- C300 H244 B4 Cl20 F16 O12 Os4 P12 S8 -","4","1","","Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping","Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer","Polymer Chemistry","2018","9","16","2092","","10.1039/C8PY00176F","","","0.71073","MoKα","","0.0799","0.0499","","","0.117","0.1445","","","","","","1.107","","","","has coordinates,has disorder","230962","2020-10-21","18:00:00",""
"1549073","11.1803","0.0003","14.1709","0.0004","23.4379","0.0006","76.653","0.001","84.029","0.001","69.337","0.001","3379.62","0.16","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C77 H59 B Cl F4 O3 Os P3 S3 -","- C77 H59 B Cl F4 O3 Os P3 S3 -","- C154 H118 B2 Cl2 F8 O6 Os2 P6 S6 -","2","1","","Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping","Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer","Polymer Chemistry","2018","9","16","2092","","10.1039/C8PY00176F","","","0.71073","MoKα","","0.078","0.0626","","","0.1597","0.1752","","","","","","1.031","","","","has coordinates,has disorder","230962","2020-10-21","18:00:00",""
"1549074","15.116","0.0014","6.8728","0.0006","12.7492","0.0011","90","","90","","90","","1324.5","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","5-Bromo-1-(4-bromophenyl)isatin","5-Bromo-1-(4-bromophenyl)-2,3-dihydro-1<i>H</i>-indole-2,3-dione","","- C14 H7 Br2 N O2 -","- C14 H7 Br2 N O2 -","- C56 H28 Br8 N4 O8 -","4","0.5","HB4216","El-Hiti, Gamal A.; Smith, Keith; Alamri, Mesfer; Morris, Ceri A.; Kille, Peter; Kariuki, Benson M.","5-Bromo-1-(4-bromophenyl)isatin","IUCrData","2018","3","3","x180426","","10.1107/S2414314618004261","","","0.71073","MoKα","","0.0775","0.0407","","","0.0789","0.0963","","","","","","1.059","","","","has coordinates,has Fobs","206983","2020-10-21","18:00:00",""
"1549075","6.2938","0.0005","10.9254","0.0009","31.229","0.004","90","","90.221","0.008","90","","2147.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","HB4214","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone","IUCrData","2018","3","3","x180402","","10.1107/S2414314618004029","","","0.71073","MoKα","","0.1285","0.0607","","","0.1208","0.15","","","","","","1.033","","","","has coordinates,has Fobs","206984","2020-10-21","18:00:00",""
"1549076","61.5399","0.0018","11.8988","0.0004","8.2661","0.0003","90","","93.301","0.003","90","","6042.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C20 H18 N8 O2 -","- C20 H18 N8 O2 -","- C240 H216 N96 O24 -","12","1.5","HB4215","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-<i>N</i>'-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbonyl)-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","3","x180424","","10.1107/S2414314618004248","","","0.71073","MoKα","","0.0778","0.0522","","","0.1437","0.1621","","","","","","1.056","","","","has coordinates,has Fobs","206985","2020-10-21","18:00:00",""
"1549077","13.484","0.0008","13.484","0.0008","13.484","0.0008","90","","90","","90","","2451.6","0.3","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C21 H18 Cl N3 -","- C21 H18 Cl N3 -","- C84 H72 Cl4 N12 -","4","0.333333","","Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai","Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization","Polymer Chemistry","2018","9","16","2183","","10.1039/C8PY00338F","","","0.71073","MoKα","","0.114","0.1082","","","0.3079","0.3135","","","","","","1.14","","","","has coordinates,has disorder","230963","2020-10-21","18:00:00",""
"1549078","29.8205","0.0005","8.8627","0.0002","25.1375","0.0004","90","","110.05","0.001","90","","6241","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C288 H208 N16 O16 -","8","2","","Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo","Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly","Polymer Chemistry","2018","9","15","2021","","10.1039/C8PY00226F","","","1.54178","CuKα","","0.0756","0.0509","","","0.1235","0.1329","","","","","","1.049","","","","has coordinates","230969","2020-10-21","18:00:00",""
"1549079","12.139","0.009","15.53","0.011","24.301","0.017","90","","98.77","0.011","90","","4528","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 N6 O4 Ru -","- C43 H29 N6 O4 Ru -","- C172 H116 N24 O16 Ru4 -","4","1","","Xiang, Wenjing; Li, Lin; Dai, Zengjin; Meng, Xianggao; Li, Renjie; Zhang, Jing; Peng, Tianyou","TiO2 modified with a Ru(ii)‒N′NN′ 8-hydroxyquinolyl complex for efficient gaseous photoreduction of CO2","Catalysis Science & Technology","2018","8","8","2098","","10.1039/C8CY00158H","","","0.71073","MoKα","","0.1226","0.0744","","","0.1868","0.2145","","","","","","0.832","","","","has coordinates,has disorder","227962","2020-10-21","18:00:00",""
"1549080","15.4892","0.0008","7.8471","0.0004","15.5804","0.0009","90","","114.831","0.007","90","","1718.65","0.19","153","7","153","7","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","CX11","","- C25 H15 N O2 -","- C25 H15 N O2 -","- C100 H60 N4 O8 -","4","1","","Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P.","Mechano-induced persistent room-temperature phosphorescence from purely organic molecules.","Chemical science","2018","9","15","3782","3787","10.1039/c8sc00429c","","","1.54184","CuKα","","0.0454","0.0361","","","0.0896","0.0959","","","","","","1.107","","","","has coordinates","228813","2020-10-21","18:00:00",""
"1549081","21.5605","0.0015","26.1802","0.0019","19.2608","0.0013","90","","90","","90","","10871.9","1.3","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C57 H83 B2 Li O4 -","- C57 H83 B2 Li O4 -","- C456 H664 B16 Li8 O32 -","8","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2038","0.086","","","0.1598","0.2033","","","","","","0.946","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549082","10.7242","0.0012","21.4641","0.0016","24.027","0.003","90","","97.208","0.009","90","","5487","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H85 B2 Li O4 -","- C56 H85 B2 Li O4 -","- C224 H340 B8 Li4 O16 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2251","0.1344","","","0.2573","0.2877","","","","","","1.443","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549083","5.974","0.0009","14.639","0.002","21.461","0.003","82.273","0.012","89.91","0.012","86.79","0.012","1856.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H56 B2 -","- C44 H56 B2 -","- C88 H112 B4 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.7107","MoKα","","0.185","0.088","","","0.1686","0.1839","","","","","","1.207","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549084","12.9451","0.0008","18.3459","0.0007","27.0962","0.0017","90","","101.393","0.005","90","","6308.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H98 B2 Li2 O7 -","- C66 H98 B2 Li2 O7 -","- C264 H392 B8 Li8 O28 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1447","0.0785","","","0.1585","0.1797","","","","","","1.134","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549085","14.775","0.001","19.9973","0.001","17.9098","0.0012","90","","109.105","0.005","90","","5000.2","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H75 B2 Li O3 -","- C53 H75 B2 Li O3 -","- C212 H300 B8 Li4 O12 -","4","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1458","0.0712","","","0.1404","0.167","","","","","","0.91","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549086","12.2698","0.001","43.946","0.003","21.961","0.002","90","","90","","90","","11841.6","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C61 H90 B2 Cl Li O8 -","- C61 H90 B2 Cl Li O8 -","- C488 H720 B16 Cl8 Li8 O64 -","8","0.5","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1296","0.0854","","","0.1603","0.178","","","","","","1.121","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549087","19.497","0.0015","24.7864","0.0018","23.972","0.002","90","","92.463","0.007","90","","11574","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 B2 Li O4 -","- C63 H87 B2 Li O4 -","- C504 H696 B16 Li8 O32 -","8","2","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.2818","0.121","","","0.207","0.2432","","","","","","1.302","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549088","41.344","0.003","14.272","0.0012","6.1349","0.0005","90","","90","","90","","3620","0.5","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C43 H54 B2 -","- C43 H54 B2 -","- C172 H216 B8 -","4","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.1448","0.0673","","","0.1049","0.1282","","","","","","0.84","","","","has coordinates","228816","2020-10-21","18:00:00",""
"1549089","10.4041","0.0003","11.5484","0.0003","25.736","0.0007","79.323","0.002","85.313","0.002","81.22","0.002","2998.51","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H84 B2 O -","- C70 H84 B2 O -","- C140 H168 B4 O2 -","2","1","","Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions.","Chemical science","2018","9","15","3881","3891","10.1039/c8sc00743h","","","0.71073","MoKα","","0.0782","0.0673","","","0.1755","0.1838","","","","","","1.037","","","","has coordinates,has disorder","228816","2020-10-21","18:00:00",""
"1549092","10.0007","0.001","10.5374","0.0011","12.7404","0.0013","102.821","0.004","90.215","0.004","102.549","0.004","1275.9","0.2","100","","100.06","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N2 O4 S -","- C28 H34 N2 O3.995 S -","- C56 H68 N4 O7.99 S2 -","2","1","","Al Mousawi, Assi; Arar, Ahmad; Ibrahim-Ouali, Malika; Duval, Sylvain; Dumur, Frédéric; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Gigmes, Didier; Fouassier, Jean-Pierre; Lalevée, Jacques","Carbazole-based compounds as photoinitiators for free radical and cationic polymerization upon near visible light illumination.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","578","585","10.1039/c7pp00400a","","","0.71073","MoKα","","0.0687","0.0519","","","0.1223","0.1328","","","","","","1.041","","","","has coordinates,has disorder","230890","2020-10-21","18:00:00",""
"1549093","14.317","0.005","8.341","0.005","22.569","0.005","90","","98.276","0.005","90","","2667.1","1.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 O7 -","- C30 H38 O7 -","- C120 H152 O28 -","4","1","","Niu, Sheng-Li; Li, Da-Hong; Li, Xin-Yu; Wang, Yue-Tong; Li, Sheng-Ge; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Hua, Hui-Ming","Bioassay- and Chemistry-Guided Isolation of Scalemic Caged Prenylxanthones from the Leaves of Garcinia bracteata","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00454","","","0.71069","MoKα","","0.1734","0.0616","","","0.1229","0.1562","","","","","","1.05","","","","has coordinates","207059","2020-10-21","18:00:00",""
"1549094","7.7604","0.0008","5.9132","0.0006","49.45","0.004","90","","95.879","0.009","90","","2257.3","0.4","95","","95","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0641","0.052","","0.0707","0.0619","0.0652","","","","","","1.116","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549095","7.856","0.0007","5.8413","0.0006","49.561","0.004","90","","95.46","0.008","90","","2264","0.4","135","","135","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0391","0.0339","","0.084","0.0776","0.0813","","","","","","0.9222","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549096","8.0891","0.0006","5.7282","0.0004","49.849","0.004","90","","94.255","0.006","90","","2303.4","0.3","215","","215","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0373","0.0325","","0.0773","0.0711","0.0736","","","","","","0.8551","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549097","7.9306","0.0005","5.8288","0.0004","49.645","0.003","90","","95.171","0.005","90","","2285.5","0.3","155","","155","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0442","0.0354","","0.0625","0.0519","0.0545","","","","","","0.9734","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549098","7.9631","0.0006","5.8073","0.0004","49.723","0.003","90","","94.85","0.006","90","","2291.2","0.3","175","","175","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0353","","0.0868","0.0809","0.0848","","","","","","0.8841","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549099","8.3546","0.0005","5.6236","0.0003","50.168","0.003","90","","93.146","0.005","90","","2353.5","0.2","275","","275","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0471","0.0368","","0.0603","0.0541","0.0575","","","","","","0.9597","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549100","8.0248","0.0006","5.7688","0.0005","49.827","0.004","90","","94.591","0.007","90","","2299.3","0.3","195","","195","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0366","0.0326","","0.0667","0.0603","0.0624","","","","","","0.9514","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549101","8.446","0.0003","5.58942","0.00019","50.2534","0.0015","90","","92.829","0.003","90","","2369.48","0.14","295","","295","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0407","0.0361","","0.0972","0.0876","0.0915","","","","","","0.7832","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549102","7.8186","0.0005","5.8811","0.0003","49.458","0.003","90","","95.762","0.006","90","","2262.7","0.2","115","","115","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0326","0.0296","","0.0651","0.0624","0.0639","","","","","","0.9209","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549103","8.1615","0.0007","5.6918","0.0005","49.87","0.004","90","","93.819","0.007","90","","2311.5","0.3","235","","235","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0394","0.0339","","0.083","0.0778","0.0804","","","","","","0.8332","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549104","8.2606","0.0006","5.6541","0.0003","49.944","0.003","90","","93.621","0.006","90","","2328","0.3","255","","255","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 O2 S2 -","- C26 H32 O2 S2 -","- C104 H128 O8 S8 -","4","0.5","","van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien","Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion.","Chemical science","2018","9","16","3948","3956","10.1039/c8sc00159f","","","0.71073","MoKα","","0.0427","0.0359","","0.0696","0.063","0.066","","","","","","0.988","","","","has coordinates","228751","2020-10-21","18:00:00",""
"1549105","8.8413","0.0015","22.709","0.003","27.979","0.005","90","","94.615","0.006","90","","5599.3","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 O2 S4 -","- C40 H52 O2 S4 -","- C240 H312 O12 S24 -","6","1.5","","McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.","Effects of Side-Chain Topology on Aggregation of Conjugated Polymers","Macromolecules","2018","51","7","2580","","10.1021/acs.macromol.8b00176","","","0.71073","MoKα","","0.3332","0.1312","","","0.253","0.3455","","","","","","1.008","","","","has coordinates","227640","2020-10-21","18:00:00",""
"1549106","9.3989","0.0018","17.981","0.003","27.49","0.005","103.638","0.006","92.242","0.005","96.035","0.005","4480","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 O2 S2 -","- C20 H10.4 O2 S2 -","- C200 H104 O20 S20 -","10","5","","McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.","Effects of Side-Chain Topology on Aggregation of Conjugated Polymers","Macromolecules","2018","51","7","2580","","10.1021/acs.macromol.8b00176","","","0.71073","MoKα","","0.302","0.1683","","","0.4046","0.4853","","","","","","1.153","","","","has coordinates","227640","2020-10-21","18:00:00",""
"1549107","11.059","0.0005","12.1681","0.0006","15.1847","0.0008","75.96","0.003","89.526","0.002","89.997","0.002","1982.25","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Br2 F4 Ni2 P4 -","- C30 H60 Br2 F4 Ni2 P4 -","- C60 H120 Br4 F8 Ni4 P8 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71073","MoKα","","0.0283","0.0252","","0.0627","0.0609","0.0627","","","","","","1.0189","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549108","8.0074","0.0004","11.3665","0.0004","12.9665","0.0005","90","","94.616","0.004","90","","1176.33","0.09","199.8","1","199.8","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0287","","","0.0783","0.0801","","","","","","1.035","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549109","7.8675","0.0005","11.3291","0.0003","12.9347","0.0006","90","","94.392","0.005","90","","1149.51","0.1","110.05","0.1","110.05","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0266","0.0255","","","0.0592","0.0595","","","","","","1.058","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549110","8.13398","0.00018","8.13398","0.00018","31.6136","0.001","90","","90","","90","","2091.61","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C18 H30 F4 Ni P2 -","- C18 H30 F4 Ni P2 -","- C72 H120 F16 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0637","0.0549","","","0.086","0.089","","","","","","1.21","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549111","12.6196","0.0002","14.8011","0.0004","13.2994","0.0002","90","","90","","90","","2484.11","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","C m c 21","C 2c -2","36","","Vargini's Ni(I)(PEt3)2(C6F4I)","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.0434","0.0447","","","","","","1.065","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549112","14.0519","0.0002","14.4485","0.0003","24.3473","0.0005","90","","90","","90","","4943.2","0.16","110.05","0.1","110.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0429","0.029","","","0.0534","0.0593","","","","","","1.118","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549113","9.9032","0.0003","16.1922","0.0006","15.2884","0.0007","90","","93.913","0.004","90","","2445.85","0.16","110.1","0.2","110.1","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C72 H120 F16 I8 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0816","0.0578","","","0.1011","0.1088","","","","","","1.22","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549114","9.4116","0.0005","12.701","0.0008","9.727","0.0005","90","","95.377","0.005","90","","1157.62","0.11","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0846","0.0876","","","","","","0.992","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549115","7.892","0.0005","11.3325","0.0004","12.9439","0.0005","90","","94.434","0.005","90","","1154.19","0.1","111","2","111","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C36 H60 F10 I2 Ni2 P4 -","2","0.5","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0364","0.0312","","","0.0611","0.0622","","","","","","0.969","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549116","9.95341","0.00011","16.0611","0.0002","15.04577","0.00013","90","","97.0034","0.0009","90","","2387.31","0.05","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C72 H120 Cl4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.71","MoKα","","0.0343","0.0254","","","0.0496","0.0537","","","","","","1.031","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549117","9.95422","0.00018","16.0712","0.0003","15.0877","0.0003","90","","95.7803","0.0019","90","","2401.4","0.08","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br F4 I Ni P2 -","- C18 H30 Br F4 I Ni P2 -","- C72 H120 Br4 F16 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.0435","0.0277","","","0.0543","0.0601","","","","","","1.049","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549118","17.1652","0.0015","8.5185","0.0013","16.935","0.002","90","","96.803","0.01","90","","2458.8","0.5","240","0.14","240","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H30 F5 I Ni P2 -","- C18 H30 F5 I Ni P2 -","- C72 H120 F20 I4 Ni4 P8 -","4","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0769","0.0559","","","0.1623","0.1825","","","","","","1.077","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549119","9.2736","0.0002","13.2118","0.0003","9.817","0.0002","90","","95.22","0.002","90","","1197.8","0.04","110.05","0.1","110.05","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl F4 I Ni P2 -","- C18 H30 Cl F4 I Ni P2 -","- C36 H60 Cl2 F8 I2 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","0.71073","MoKα","","0.0312","0.0288","","","0.0636","0.0655","","","","","","1.023","","","","has coordinates,has disorder","228814","2020-10-21","18:00:00",""
"1549120","7.8141","0.0003","12.9211","0.0004","14.7784","0.0005","76.749","0.003","79.7","0.003","76.748","0.003","1401.12","0.09","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 F4 I2 Ni P2 -","- C26 H30 F4 I2 Ni P2 -","- C52 H60 F8 I4 Ni2 P4 -","2","1","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","","0.7107","MoKα","","0.031","0.0248","","","0.0526","0.0566","","","","","","0.948","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549121","12.19004","0.00019","28.0191","0.0005","14.2344","0.0002","90","","91.6129","0.0013","90","","4859.89","0.13","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F4 I2 Ni P2 -","- C18 H30 F4 I2 Ni P2 -","- C144 H240 F32 I16 Ni8 P16 -","8","2","","Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N.","Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides.","Chemical science","2018","9","15","3767","3781","10.1039/c8sc00890f","","x-ray","1.54184","CuKα","","0.0429","0.0358","","","0.0858","0.0904","","","","","","1.027","","","","has coordinates","228814","2020-10-21","18:00:00",""
"1549122","17.9956","0.0003","14.2843","0.0002","23.6299","0.0003","90","","111.37","0.001","90","","5656.57","0.15","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H54 Fe N6 O4 P2 -","- C69 H54 Fe N6 O4 P2 -","- C276 H216 Fe4 N24 O16 P8 -","4","1","","Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen","C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex.","Chemical science","2018","9","16","3992","4002","10.1039/c7sc05378a","","","1.54178","CuKα","","0.102","0.0852","","","0.2194","0.232","","","","","","1.065","","","","has coordinates,has disorder","228747","2020-10-21","18:00:00",""
"1549123","27.5449","0.0003","55.4159","0.0008","10.2412","0.0015","90","","90","","90","","15632","2","193","","193","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C62 H34 F12 Fe N6 P2 -","- C62 H34 F12 Fe N6 P2 -","- C496 H272 F96 Fe8 N48 P16 -","8","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0399","0.0366","","0.0455","0.0428","0.0419","","","","","","1.0494","","","","has coordinates","228817","2020-10-21","18:00:00",""
"1549124","16.392","0.0001","16.392","0.0001","21.9038","0.0002","90","","90","","90","","5885.5","0.07","123","","123","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C66 H44 F12 N6 O P2 Ru -","- C66 H44 F12 N6 O P2 Ru -","- C264 H176 F48 N24 O4 P8 Ru4 -","4","0.5","","Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel","Chiral macrocyclic terpyridine complexes.","Chemical science","2018","9","15","3837","3843","10.1039/c7sc05285e","","","1.34143","GaKα","","0.0341","0.0335","","","0.0967","0.0974","","","","","","1.027","","","","has coordinates,has disorder","228817","2020-10-21","18:00:00",""
"1549125","4.0205","0.0011","11.316","0.003","13.781","0.004","85.067","0.009","88.517","0.009","84.335","0.006","621.5","0.3","93","","93","","","","","","","","","4","P -1","-P 1","2","","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","XU4034","Umezono, Satoru; Okuno, Tsunehisa","5-[Phenyl(pyridin-4-yl)amino]penta-2,4-diyn-1-ol","IUCrData","2018","3","3","x180454","","10.1107/S2414314618004546","","","0.71075","MoKα","","0.0472","0.0376","","","0.097","0.1039","","","","","","1.061","","","","has coordinates,has Fobs","207096","2020-10-21","18:00:00",""
"1549126","15.6203","0.0019","8.6349","0.0011","13.9758","0.0017","90","","108.948","0.002","90","","1782.9","0.4","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yousufuddin, Muhammed; Morales, Ruth; Cassis, Waleed; Brown, Gary W.; Singh, Ravi P.; Lovely, Carl J.","[1,4-Bis(4-methoxyphenyl)but-3-yn-2-yl](cyano)methylamine","IUCrData","2018","3","3","x180389","","10.1107/S2414314618003899","","","0.71073","MoKα","","0.0756","0.0492","","","0.111","0.1238","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","207097","2020-10-21","18:00:00",""
"1549127","10.5058","0.0004","12.8929","0.0004","14.0425","0.0004","80.187","0.002","73.218","0.001","89.188","0.002","1793.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","","- C33 H40 N4 O9 S3 -","- C33 H40 N4 O9 S3 -","- C66 H80 N8 O18 S6 -","2","1","VM4034","Amirthakumar, C.; Pandi, P.; Kumar, R. Mohan; Chakkaravarthi, G.","2-Aminoanilinium benzene-1,2-diaminium tris(4-methylbenzene-1-sulfonate)","IUCrData","2018","3","3","x180437","","10.1107/S2414314618004376","","","0.71073","MoKα","","0.0851","0.0426","","","0.0952","0.1172","","","","","","1.026","","","","has coordinates,has Fobs","207098","2020-10-21","18:00:00",""
"1549128","10.4422","0.0003","13.3065","0.0003","24.0683","0.0008","90","","90.181","0.003","90","","3344.25","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br Cl N8 S -","- C37 H28 Br Cl N8 S -","- C148 H112 Br4 Cl4 N32 S4 -","4","1","SJ4169","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180443","","10.1107/S2414314618004431","","","1.54184","CuKα","","0.0575","0.0472","","","0.1268","0.1376","","","","","","1.05","","","","has coordinates,has Fobs","207099","2020-10-21","18:00:00",""
"1549129","8.5806","0.0004","7.0202","0.0003","9.2257","0.0004","90","","97.551","0.001","90","","550.91","0.04","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[diaquadi-μ-formato-nickel(II)]","","- C2 H6 Ni O6 -","- C2 H6 Ni O6 -","- C8 H24 Ni4 O24 -","4","1","HB4217","Weil, Matthias","Redetermination of nickel(II) formate dihydrate","IUCrData","2018","3","3","x180428","","10.1107/S2414314618004285","","","0.71073","MoKα","","0.0348","0.0211","","","0.0447","0.0487","","","","","","1.04","","","","has coordinates,has Fobs","207100","2020-10-21","18:00:00",""
"1549130","12.1967","0.0009","3.7559","0.0002","14.4539","0.001","90","","102.143","0.003","90","","647.31","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Fluoro-5-nitroaniline","","- C6 H5 F N2 O2 -","- C6 H5 F N2 O2 -","- C24 H20 F4 N8 O8 -","4","1","HB4212","Moorthy, K.; NizamMohideen, M.; Vetrivel, S.; Vinoth, E.; Arun, A.","2-Fluoro-5-nitroaniline","IUCrData","2018","3","3","x180425","","10.1107/S241431461800425X","","","0.71073","MoKα","","0.0695","0.038","","","0.0897","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","207101","2020-10-21","18:00:00",""
"1549131","10.3624","0.0002","13.5082","0.0003","24.0262","0.0006","90","","90.457","0.002","90","","3363.02","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","","- C37 H28 Br2 N8 S -","- C37 H28 Br2 N8 S -","- C148 H112 Br8 N32 S4 -","4","1","HB4219","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Khidre, Rizk E.; Mostafa, Mohamed S.; Hegazy, Amany S.; Kariuki, Benson M.","4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-1-phenyl-1<i>H</i>-pyrazol-4-yl}-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)-1,3-thiazole","IUCrData","2018","3","3","x180449","","10.1107/S2414314618004492","","","1.54184","CuKα","","0.0674","0.0524","","","0.1461","0.1621","","","","","","1.045","","","","has coordinates,has Fobs","207102","2020-10-21","18:00:00",""
"1549132","5.159","0.0001","5.159","","11.169","0.0003","90","","90","","90","","297.266","0.01","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Cd O4 W -","- Cd O4 W -","- Cd4 O16 W4 -","4","0.25","","Eranjaneya, H.; Chandrappa, G. T.","Selective synthesis of scheelite/wolframite CdWO4 nanoparticles: a mechanistic investigation of phase formation and property correlation","Journal of Sol-Gel Science and Technology","2018","85","3","585","594","10.1007/s10971-017-4545-2","","","","","","","","","","","","","","","","","","","","","has coordinates","288118","2023-12-07","10:18:29",""
"1549133","6.6287","0.0003","16.4246","0.0008","21.5858","0.0011","90","","90","","90","","2350.1","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Au F6 N O Sb -","- C23 H23 Au F6 N O Sb -","- C92 H92 Au4 F24 N4 O4 Sb4 -","4","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0315","0.0262","","","0.0451","0.0466","","","","","","0.999","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549134","7.4651","0.0004","9.8244","0.0005","16.963","0.0009","98.935","0.002","91.454","0.002","106.868","0.002","1172.83","0.11","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H22 Au Cl4 N -","- C24 H22 Au Cl4 N -","- C48 H44 Au2 Cl8 N2 -","2","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0299","0.0247","","","0.0561","0.0583","","","","","","1.093","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549135","10.9502","0.0008","20.9614","0.0014","20.7528","0.0017","90","","97.766","0.006","90","","4719.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H62 N2 P2 -","- C55 H62 N2 P2 -","- C220 H248 N8 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1814","0.1016","","","0.2418","0.3141","","","","","","1.029","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549136","8.3846","0.0012","21.347","0.003","11.6195","0.0015","90","","111.081","0.009","90","","1940.5","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 P2 -","- C48 H52 P2 -","- C96 H104 P4 -","2","0.5","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0594","0.0421","","","0.1039","0.1147","","","","","","1.042","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549137","8.304","0.003","23.286","0.008","13.9","0.005","90","","90.34","0.02","90","","2687.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N2 P -","- C31 H37 N2 P -","- C124 H148 N8 P4 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1245","0.0556","","","0.133","0.1634","","","","","","1.022","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549138","16.9466","0.0007","20.6986","0.0009","23.0289","0.001","90","","90","","90","","8077.9","0.6","151.25","","151.25","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C384 H416 O8 P16 -","8","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","","0.71073","MoKα","","0.0822","0.0616","","","0.1624","0.1791","","","","","","1.025","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549139","16.228","0.0018","16.3739","0.0019","17.6769","0.0019","90","","93.71","0.008","90","","4687.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H64 N2 O P2 -","- C55 H64 N2 O P2 -","- C220 H256 N8 O4 P8 -","4","1","","Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul","Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination.","Chemical science","2018","9","18","4235","4243","10.1039/c8sc00348c","","x-ray","0.71073","MoKα","","0.1117","0.0549","","","0.1173","0.1454","","","","","","1.012","","","","has coordinates","228820","2020-10-21","18:00:00",""
"1549140","10.6269","0.0003","14.921","0.0005","17.4851","0.0007","108.065","0.003","102.085","0.003","91.766","0.002","2563.72","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","7,7'-((ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2-phenylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) and pyrene","","- C65 H42 F6 N4 O11 -","- C65 H42 F6 N4 O11 -","- C130 H84 F12 N8 O22 -","2","1","","Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M.","Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set.","Chemical science","2018","9","17","4052","4061","10.1039/c8sc00830b","","","1.54184","CuKα","","0.0616","0.0516","","0.0999","0.0927","0.0999","","","","","","0.9721","","","","has coordinates,has disorder","228721","2020-10-21","18:00:00",""
"1549141","22.653","0.002","8.3251","0.0007","15.2916","0.0013","90","","107.682","0.003","90","","2747.6","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H37 B N2 -","- C34 H37 B N2 -","- C136 H148 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1462","0.0642","","","0.1199","0.1471","","","","","","1.014","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549142","7.925","0.0004","21.8524","0.0008","16.0075","0.0006","90","","98.766","0.002","90","","2739.8","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1264","0.0861","","","0.2213","0.2442","","","","","","1.15","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549143","10.294","0.003","11.896","0.004","13.128","0.005","66.239","0.011","88.621","0.011","75.243","0.012","1417.2","0.8","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C68 H78 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1333","0.0671","","","0.1647","0.2045","","","","","","1.036","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549144","8.41","0.005","34.22","0.02","10.14","0.007","90","","97.87","0.02","90","","2891","3","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 B N2 -","- C34 H39 B N2 -","- C136 H156 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1708","0.0729","","","0.1755","0.2124","","","","","","1.03","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549145","7.9779","0.0004","21.8456","0.0011","15.7662","0.0008","90","","98.411","0.002","90","","2718.2","0.2","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 B N S -","- C32 H36 B N S -","- C128 H144 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1222","0.0642","","","0.1418","0.1665","","","","","","1.019","","","","has coordinates,has disorder","228811","2020-10-21","18:00:00",""
"1549146","7.2959","0.0003","22.3592","0.0008","17.984","0.0007","90","","92.626","0.002","90","","2930.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 B N O -","- C35 H40 B N O -","- C140 H160 B4 N4 O4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1","0.0628","","","0.1449","0.1614","","","","","","1.051","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549147","8.1029","0.0004","11.3778","0.0006","18.5298","0.0011","87.821","0.002","85.222","0.002","71.032","0.002","1609.84","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 B N2 -","- C39 H43 B N2 -","- C78 H86 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1148","0.0625","","","0.153","0.1761","","","","","","1.074","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549148","32.54","0.04","9.129","0.01","9.286","0.012","90","","90","","90","","2758","6","180","2","180","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H34 B N S -","- C32 H34 B N S -","- C128 H136 B4 N4 S4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1957","0.0801","","","0.1818","0.2266","","","","","","1.004","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549149","7.868","0.002","12.043","0.004","16.695","0.005","69.575","0.008","77.359","0.008","76.219","0.009","1423.7","0.7","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H38 B N -","- C34 H38 B N -","- C68 H76 B2 N2 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.2064","0.09","","","0.1975","0.238","","","","","","1.032","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549150","11.4473","0.001","11.8684","0.0011","15.9919","0.0015","94.282","0.004","106.166","0.003","114.679","0.003","1850.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 B N2 -","- C45 H49 B N2 -","- C90 H98 B2 N4 -","2","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1533","0.0746","","","0.1766","0.2135","","","","","","0.972","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549151","22.112","0.006","8.318","0.002","15.429","0.004","90","","110.321","0.008","90","","2661.2","1.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 B N2 -","- C33 H35 B N2 -","- C132 H140 B4 N8 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.1778","0.0973","","","0.212","0.2474","","","","","","1.059","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549152","11.8634","0.0007","11.878","0.0008","18.2134","0.0011","90","","92.179","0.002","90","","2564.7","0.3","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B N -","- C31 H32 B N -","- C124 H128 B4 N4 -","4","1","","Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning","Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers.","Chemical science","2018","9","15","3844","3855","10.1039/c8sc00560e","","","0.71073","MoKα","","0.0841","0.0581","","","0.145","0.1595","","","","","","1.063","","","","has coordinates","228811","2020-10-21","18:00:00",""
"1549153","7.3461","0.0017","7.8073","0.0019","12.765","0.003","81.469","0.004","78.051","0.004","86.599","0.004","708","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H19 B10 N -","- C9 H19 B10 N -","- C18 H38 B20 N2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0995","0.0607","","","0.1541","0.1751","","","","","","0.977","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549154","12.4232","0.0005","14.9794","0.0006","13.9157","0.0005","90","","109.509","0.001","90","","2440.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B10 Br2 N -","- C21 H25 B10 Br2 N -","- C84 H100 B40 Br8 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0327","0.0257","","","0.0619","0.0653","","","","","","1.053","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549155","18.1161","0.001","8.1173","0.0005","18.6508","0.0011","90","","113.681","0.002","90","","2511.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B10 F3 N O -","- C23 H26 B10 F3 N O -","- C92 H104 B40 F12 N4 O4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0571","0.0518","","","0.2127","0.2324","","","","","","1.118","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549156","8.0494","0.0007","15.8108","0.0012","20.486","0.002","90","","90","","90","","2607.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B10 N -","- C25 H35 B10 N -","- C100 H140 B40 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1101","0.062","","","0.1271","0.1429","","","","","","0.953","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549157","7.7385","0.0006","10.4142","0.0008","15.9824","0.0011","92.169","0.003","102.976","0.002","99.951","0.003","1232.3","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 B10 N2 O2 S -","- C21 H28 B10 N2 O2 S -","- C42 H56 B20 N4 O4 S2 -","2","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0946","0.053","","","0.1212","0.1362","","","","","","0.893","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549158","10.5093","0.0006","22.2105","0.0013","15.7027","0.0007","90","","105.021","0.002","90","","3540","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B10 N O P Pd -","- C34 H35 B10 N O P Pd -","- C136 H140 B40 N4 O4 P4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0792","0.0481","","","0.0984","0.109","","","","","","1","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549159","14.4456","0.0007","13.2757","0.0006","19.9354","0.0008","90","","90.292","0.002","90","","3823.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 B20 N2 O Pd -","- C25 H40 B20 N2 O Pd -","- C100 H160 B80 N8 O4 Pd4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.0947","0.0587","","","0.1535","0.174","","","","","","1.051","","","","has coordinates,has disorder","228748","2020-10-21","18:00:00",""
"1549160","17.6118","0.0012","12.1001","0.0009","20.3538","0.0016","90","","94.094","0.003","90","","4326.4","0.6","175","2","175","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H31 B10 N -","- C19 H31 B10 N -","- C152 H248 B80 N8 -","8","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1079","0.0589","","","0.1165","0.1303","","","","","","1.018","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549161","7.4159","0.0016","19.318","0.004","7.3457","0.0016","90","","90","","90","","1052.3","0.4","120","","120","","","","","","","","","5","P n n m","-P 2 2n","58","","Catena(bis(mu3-dimethylmalonato-O,O',O'',O''')-(mu2-4,4'-bipyridine-N,N') -diaqua-dizinc(II))","","- C20 H24 N2 O10 Zn2 -","- C20 H24 N2 O10 Zn2 -","- C40 H48 N4 O20 Zn4 -","2","0.25","LQ5010","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1021","0.0657","","","0.1305","0.1448","","","","","","1.043","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549162","8.2852","0.0011","10.4999","0.0014","21.684","0.003","90","","117.282","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II) monohydrate)","","- C17 H18 N2 O5 Zn -","- C17 H18 N2 O5 Zn -","- C68 H72 N8 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0726","0.0512","","","0.0948","0.1013","","","","","","0.998","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549163","8.3","0.0017","10.4","0.002","19.74","0.004","90","","90","","90","","1704","0.6","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene-N,N')- zinc(II) (mu-Dimethylmalonato-O,O')(mu!4$-tetrakis(4- pyridyl)cyclobutane-N,N',N'',N''')- zinc(II) hydrate)","","- C17 H17 N2 O4.25 Zn -","- C17 H17 N2 O4.25 Zn -","- C68 H68 N8 O17 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.9699","synchrotron","","0.1459","0.0934","","","0.1857","0.2141","","","","","","1.045","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549164","18.0211","0.0008","5.8795","0.0002","21.7192","0.0012","90","","113.89","0.001","90","","2104.1","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena(Bis(hydrogen dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethylene)- zinc(II))","","- C22 H24 N2 O8 Zn -","- C22 H24 N2 O8 Zn -","- C88 H96 N8 O32 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0298","0.0264","","","0.0679","0.0689","","","","","","1.134","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549165","8.4434","0.0014","10.3811","0.0018","21.551","0.004","90","","115.928","0.004","90","","1698.8","0.5","120","0.2","120","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-Dimethylmalonato-O,O')(mu-1,2-bis(4-pyridine)ethane)- zinc(II) monohydrate)","","- C17 H20 N2 O5 Zn -","- C17 H20 N2 O5 Zn -","- C68 H80 N8 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0908","0.0704","","","0.145","0.1528","","","","","","0.999","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549166","11.1832","0.0008","8.2422","0.0006","23.832","0.0017","90","","99.143","0.002","90","","2168.8","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Catena((mu-4,4'-bipyridine-N,N')-bis(4,4'-bipyridine)-bis(mu-diethylmalonato- O,O')-dizinc(II) dihydrate)","","- C22 H24 N3 O5 Zn -","- C22 H24 N3 O5 Zn -","- C88 H96 N12 O20 Zn4 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0808","0.0471","","","0.0891","0.1028","","","","","","1.013","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549167","22.6008","0.0012","11.4154","0.0006","17.1552","0.0009","90","","120.308","0.001","90","","3821.1","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena((mu-4,4'-bipyridine-N,N')-tetraaqua-zinc(II) bis(hydrogen diethylmalonate) 4,4'-bipyridine dihydrate)","","- C34 H50 N4 O14 Zn -","- C34 H50 N4 O14 Zn -","- C136 H200 N16 O56 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0381","0.0289","","","0.0708","0.0749","","","","","","1.021","","","","has coordinates","207159","2020-10-21","18:00:00",""
"1549168","9.8266","0.0005","22.0654","0.0012","22.1641","0.0011","90","","90","","90","","4805.8","0.4","120","","120","","","","","","","","","5","C m c m","-C 2c 2","63","","Catena((mu-1,2-bis(4-pyridine)ethylene-N,N')- (mu-diethylmalonato-O,O')-zinc(II) 1,2-bis(4-pyridine)ethylene solvate)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.25 N2.5 O4 Zn -","- C176 H178 N20 O32 Zn8 -","8","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0768","0.0516","","","0.1293","0.1398","","","","","","1","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549169","9.845","0.008","22.082","0.017","21.905","0.017","90","","90","","90","","4762","6","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Catena(tris(mu-1,2-bis(4-pyridine)ethylene-N,N')-(mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetrakis(mu-diethylmalonato-O,O')-tetrazinc(II)","","- C22 H22.5 N2.5 O4 Zn -","- C22 H22.5 N2.5 O4 Zn -","- C176 H180 N20 O32 Zn8 -","8","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.235","0.1144","","","0.1887","0.2372","","","","","","1.008","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549170","22.881","0.002","6.8976","0.0006","14.1573","0.0012","90","","117.532","0.002","90","","1981.3","0.3","120","","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(1,2-Bis(4-pyridine)ethylene-N)-tetraaqua-zinc(II) bis(hydrogen diethylmalonate)","","- C38 H48 N4 O12 Zn -","- C38 H48 N4 O12 Zn -","- C76 H96 N8 O24 Zn2 -","2","0.25","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.0616","0.0518","","","0.1252","0.1315","","","","","","1.033","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549171","26.8028","0.0019","6.8933","0.0005","23.069","0.0017","90","","110.021","0.001","90","","4004.6","0.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Catena(1,2-Bis(4-pyridine)ethylene-N)-tetraaqua-zinc(II) (mu-tetrakis(4-pyridyl) cyclobutane-N,N')-tetraaqua-zinc(II) tetrakis(hydrogen diethylmalonate)","","- C38 H48 N4 O12 Zn -","- C38 H48 N4 O12 Zn -","- C152 H192 N16 O48 Zn4 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.095","0.0549","","","0.1497","0.1762","","","","","","1.033","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549172","24.662","0.003","37.18","0.005","8.7826","0.0012","90","","90","","90","","8053.1","1.8","120","","120","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H22.75 N2 O4.38 Zn -","- C19 H22.75 N2 O4.375 Zn -","- C304 H364 N32 O70 Zn16 -","16","2","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Voronova, Eugenia D.; Godovikov, Ivan A.; Korlyukov, Alexander A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Exploitation of knowledge databases in the synthesis of zinc(II) malonates with photo-sensitive and photo-insensitive <i>N</i>,<i>N</i>'-containing linkers","IUCrJ","2018","5","3","","","10.1107/S2052252518001641","","","0.71073","MoKα","","0.1123","0.0646","","","0.1268","0.1497","","","","","","1.014","","","","has coordinates,has disorder","207159","2020-10-21","18:00:00",""
"1549173","10.3353","0.0009","14.0058","0.0012","5.954","0.0004","90","","97.32","0.003","90","","854.84","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-1,2,3-selenadiazole","","- C8 H5 Cl N2 Se -","- C8 H5 Cl N2 Se -","- C32 H20 Cl4 N8 Se4 -","4","1","BV4014","Ravichandran, K.; Ranjith, S.; Sankari, S.; Beemarao, M.; Ponnuswamy, M. N.","4-(4-Chlorophenyl)-1,2,3-selenadiazole","IUCrData","2018","3","3","x180462","","10.1107/S2414314618004625","","","0.71073","MoKα","","0.0702","0.04","","","0.0693","0.0785","","","","","","1.074","","","","has coordinates,has Fobs","207160","2020-10-21","18:00:00",""
"1549174","4.6976","0.0004","19.3656","0.0018","12.3116","0.0012","90","","95.831","0.003","90","","1114.21","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","TK4048","Swetha, G.; Ida Malarselvi, R.; Ramachandra Raja, C.; Thiruvalluvar, A.; Priscilla, J.","(<i>E</i>)-4-Methyl-2-(<i>N</i>-phenylcarboximidoyl)phenol","IUCrData","2018","3","3","x180464","","10.1107/S2414314618004649","","","0.71073","MoKα","","0.1205","0.0541","","","0.1238","0.169","","","","","","1.05","","","","has coordinates,has Fobs","207161","2020-10-21","18:00:00",""
"1549175","43.822","0.009","5.689","0.001","48.331","0.01","90","","106.79","0.03","90","","11535","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 S3 -","- C12 H8 S3 -","- C504 H336 S126 -","42","10.5","","Resel, Roland; Jones, Andrew O. F.; Schweicher, Guillaume; Fischer, Roland; Demitri, Nicola; Geerts, Yves Henri","Polymorphism of terthiophene with surface confinement","IUCrJ","2018","5","3","","","10.1107/S2052252518003949","","","0.7","Synchrotron","","0.0908","0.0631","","","0.1687","0.1909","","","","","","1.029","","","","has coordinates,has disorder","207192","2020-10-21","18:00:00",""
"1549176","3.8342","0.0002","5.5701","0.0003","15.0346","0.0009","93.396","0.004","92.812","0.004","92.361","0.004","319.83","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H6 N4 O -","- C6 H6 N4 O -","- C12 H12 N8 O2 -","2","1","HB4222","El Hafi, Mohamed; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","IUCrData","2018","3","3","x180483","","10.1107/S2414314618004832","","","1.54178","CuKα","","0.0492","0.0417","","","0.1012","0.108","","","","","","1.091","","","","has coordinates,has Fobs","207193","2020-10-21","18:00:00",""
"1549177","8.556","0.0017","8.982","0.0018","22.13","0.004","90","","98.28","0.03","90","","1683","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","","- C21 H14 N6 -","- C21 H14 N6 -","- C84 H56 N24 -","4","1","HB4213","Wang, Jianwei; Yuan, Caixia","4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine","IUCrData","2018","3","3","x180492","","10.1107/S2414314618004923","","","0.71","synchrotron","","0.057","0.0529","","","0.1575","0.1614","","","","","","1.044","","","","has coordinates,has Fobs","207194","2020-10-21","18:00:00",""
"1549178","8.0249","0.0002","27.32","0.0008","10.3546","0.0003","90","","97.101","0.001","90","","2252.73","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","","- C17 H41 B Co N O P2 -","- C17 H41 B Co N O P2 -","- C68 H164 B4 Co4 N4 O4 P8 -","4","1","RZ4021","Junge, Kathrin; Cingolani, Andrea; Spannenberg, Anke; Beller, Matthias","{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)","IUCrData","2018","3","3","x180471","","10.1107/S2414314618004716","","","0.71073","MoKα","","0.0352","0.0301","","","0.072","0.0746","","","","","","1.08","","","","has coordinates,has Fobs","207195","2020-10-21","18:00:00",""
"1549179","26.6907","0.0019","22.7441","0.0016","5.7141","0.0005","90","","90","","90","","3468.8","0.5","168","2","168","2","","","","","","","","6","P n m a","-P 2ac 2n","62","compound 1","","","- C29 H17 Eu Na2 O14 S2 -","- C29 H17 Eu Na2 O14 S2 -","- C116 H68 Eu4 Na8 O56 S8 -","4","0.5","","Wang, Xia; Wang, Yanlong; Silver, Mark A.; Gui, Daxiang; Bai, Zhuanling; Wang, Yaxing; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao","Superprotonic conduction through one-dimensional ordered alkali metal ion chains in a lanthanide-organic framework.","Chemical communications (Cambridge, England)","2018","54","35","4429","4432","10.1039/c8cc00572a","","","0.71073","MoKα","","0.062","0.0415","","","0.1076","0.117","","","","","","1.121","","","","has coordinates","228502","2020-10-21","18:00:00",""
"1549180","7.4785","0.0002","21.4405","0.0005","9.022","0.0002","90","","94.218","0.002","90","","1442.69","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N8 O6 Pb2 -","- C28 H24 N8 O6 Pb2 -","- C56 H48 N16 O12 Pb4 -","2","0.5","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","x-ray","0.71073","MoKα","","0.0226","0.018","","","0.0423","0.043","","","","","","1.043","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549181","8.5997","0.0009","10.9376","0.0007","11.7938","0.0012","72.684","0.007","80.451","0.009","82.758","0.007","1040.9","0.17","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N6 O3 Pb2 S2 -","- C16 H12 N6 O3 Pb2 S2 -","- C32 H24 N12 O6 Pb4 S4 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.0285","0.0249","","","0.0555","0.0574","","","","","","1.042","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549182","6.6742","0.0006","7.8985","0.0007","16.794","0.0015","82.614","0.005","81.44","0.005","65.269","0.005","792.99","0.13","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 I2 N4 O Pb -","- C12 H10 I2 N4 O Pb -","- C24 H20 I4 N8 O2 Pb2 -","2","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.1228","0.0897","","","0.2154","0.2394","","","","","","1.11","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549183","15.4161","0.0005","13.7171","0.0005","14.9481","0.0005","90","","94.944","0.003","90","","3149.23","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N10 O3 Pb S2 -","- C28 H26 N10 O3 Pb S2 -","- C112 H104 N40 O12 Pb4 S8 -","4","1","","Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio","Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations","CrystEngComm","2018","20","20","2812","","10.1039/C8CE00110C","","","0.71073","MoKα","","0.056","0.0291","","","0.0559","0.058","","","","","","0.845","","","","has coordinates","229046","2020-10-21","18:00:00",""
"1549184","10.4821","0.0003","10.4821","0.0003","8.1053","0.0005","90","","90","","120","","771.25","0.06","373","2","373","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C7 H15 I3 N2 Pb -","- C6.4998 H14.9988 I3 N2 Pb -","- C12.9996 H29.9976 I6 N4 Pb2 -","2","0.0833333","","Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming","Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.","Chemical communications (Cambridge, England)","2018","54","34","4321","4324","10.1039/c8cc00786a","","","0.71073","MoKα","","0.0461","0.0323","","","0.074","0.0792","","","","","","1.074","","","","has coordinates,has disorder","228584","2020-10-21","18:00:00",""
"1549185","18.6221","0.0007","8.0211","0.0003","20.4046","0.0007","90","","90","","90","","3047.83","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H15 I3 N2 Pb -","- C7 H15 I3 N2 Pb -","- C56 H120 I24 N16 Pb8 -","8","1","","Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming","Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission.","Chemical communications (Cambridge, England)","2018","54","34","4321","4324","10.1039/c8cc00786a","","","0.71073","MoKα","","0.0547","0.0275","","","0.0424","0.0472","","","","","","1.019","","","","has coordinates","228584","2020-10-21","18:00:00",""
"1549186","14.2649","0.0018","8.5985","0.0007","22.85","0.003","90","","95.1","0.015","90","","2791.6","0.6","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,5-bis(1-benzyl-5-iodo-1H-1,2,3-triazol-4-yl)-1-methylpyridin-1-ium trifluoromethane-sulfonate","","- C25 H20 F3 I2 N7 O3 S -","- C25 H20 F3 I2 N7 O3 S -","- C100 H80 F12 I8 N28 O12 S4 -","4","1","","Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.","The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.","Chemical communications (Cambridge, England)","2018","54","32","4013","4016","10.1039/c8cc00527c","","","0.71073","MoKα","","0.0299","0.0212","","","0.0469","0.0503","","","","","","1.006","","","","has coordinates","228085","2020-10-21","18:00:00",""
"1549187","15.479","0.005","16.978","0.005","13.102","0.005","90","","99.204","0.005","90","","3399","2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,5-bis(1-benzyl-5-iodo-1H-1,2,3-triazol-4-yl)-1-octylpyridin-1-ium bromide","","- C33 H37 Br I2 N8 -","- C33 H37 Br I2 N8 -","- C132 H148 Br4 I8 N32 -","4","1","","Dreger, Alexander; Engelage, Elric; Mallick, Bert; Beer, Paul D.; Huber, Stefan M.","The role of charge in 1,2,3-triazol(ium)-based halogen bonding activators.","Chemical communications (Cambridge, England)","2018","54","32","4013","4016","10.1039/c8cc00527c","","","0.71073","MoKα","","0.0349","0.0265","","","0.0617","0.0646","","","","","","0.957","","","","has coordinates","228085","2020-10-21","18:00:00",""
"1549188","10.056","0.003","10.056","0.003","10.07","0.002","90","","90","","120","","881.9","0.4","333","","333","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C62 H4 Br2 Cl2 -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","- C1.99992 H3.99984 Br2.00016 Cl2.00016 Sp -","1","0.0416667","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","7.2171","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549189","9.9153","0.0017","17.412","0.004","10.0478","0.0017","90","","101.966","0.009","90","","1697","0.6","303","","303","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C62 H4 Br2 Cl2 -","- C62 H4 Br2 Cl2 -","- C124 H8 Br4 Cl4 -","2","0.25","","Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís","An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2","CrystEngComm","2018","20","19","2729","","10.1039/C8CE00271A","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","229016","2020-10-21","18:00:00",""
"1549190","5.0234","0.0009","21.36","0.004","7.1729","0.0014","90","","106.652","0.005","90","","737.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni(MeS-tzdt)2]","","","- C8 H6 N2 Ni S8 -","- C8 H6 N2 Ni S8 -","- C16 H12 N4 Ni2 S16 -","2","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.1332","0.0553","","","0.0933","0.1165","","","","","","0.97","","","","has coordinates","229872","2020-10-21","18:00:00",""
"1549191","6.6193","0.0006","4.0075","0.0004","15.4038","0.0014","101.262","0.003","87.941","0.003","91.618","0.003","400.39","0.07","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C10 H10 N2 Ni S8 -","- C10 H10 N2 Ni S8 -","- C10 H10 N2 Ni S8 -","1","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.0239","0.019","","","0.0585","0.0768","","","","","","1.288","","","","has coordinates","229872","2020-10-21","18:00:00",""
"1549192","16.777","0.003","7.5023","0.0012","27.66","0.004","90","","105.497","0.008","90","","3354.9","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PPh4+, [Ni(MeS-tzdt)2]-","","","- C32 H26 N2 Ni P S8 -","- C32 H26 N2 Ni P S8 -","- C128 H104 N8 Ni4 P4 S32 -","4","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.0614","0.0377","","","0.0828","0.0925","","","","","","1.027","","","","has coordinates","229872","2020-10-21","18:00:00",""
"1549193","26.0877","0.0011","7.5048","0.0003","24.938","0.001","90","","113.474","0.002","90","","4478.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H46 N2 Ni P S8 -","- C45 H46 N2 Ni P S8 -","- C180 H184 N8 Ni4 P4 S32 -","4","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.0842","0.0488","","","0.1178","0.1361","","","","","","1.016","","","","has coordinates,has disorder","229872","2020-10-21","18:00:00",""
"1549194","28.7636","0.0017","7.3314","0.0005","23.4795","0.0014","90","","124.372","0.004","90","","4086.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 N2 Ni P S8 -","- C38 H38 N2 Ni P S8 -","- C152 H152 N8 Ni4 P4 S32 -","4","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.1108","0.066","","","0.1804","0.2128","","","","","","1.034","","","","has coordinates,has disorder","229872","2020-10-21","18:00:00",""
"1549195","19.574","0.003","18.701","0.002","9.943","0.0015","90","","103.08","0.006","90","","3545.2","0.9","150","","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 N2 Ni P S8 -","- C34 H30 N2 Ni P S8 -","- C136 H120 N8 Ni4 P4 S32 -","4","0.5","","Hachem, Hadi; Xu, Zijun; Bellec, Nathalie; Jeannin, Olivier; Auban-Senzier, Pascale; Guizouarn, Thierry; Fourmigué, Marc; Lorcy, Dominique","Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6580","6589","10.1039/c8dt00818c","","x-ray","0.71073","MoKα","","0.0673","0.0563","","","0.136","0.1431","","","","","","1.068","","","","has coordinates,has disorder","229872","2020-10-21","18:00:00",""
"1549196","9.825","0.002","14.738","0.003","15.021","0.003","62.73","0.03","78.35","0.03","79.95","0.03","1885.1","0.8","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H42 N2 O6 -","- C46 H42 N2 O6 -","- C92 H84 N4 O12 -","2","1","","Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold","Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5801","5811","10.1039/c8dt00757h","","","0.71073","MoKα","","0.0792","0.0632","","","0.1655","0.1775","","","","","","0.93","","","","has coordinates","229624","2020-10-21","18:00:00",""
"1549197","13.9091","0.0005","26.4208","0.0008","28.6342","0.001","90","","90","","90","","10522.8","0.6","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H74 N2 O8 Zn -","- C57 H74 N2 O8 Zn -","- C456 H592 N16 O64 Zn8 -","8","1","","Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold","Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5801","5811","10.1039/c8dt00757h","","","0.71073","MoKα","","0.0648","0.0437","","","0.1075","0.1146","","","","","","0.978","","","","has coordinates","229624","2020-10-21","18:00:00",""
"1549198","16.1735","0.0012","12.0443","0.001","31.096","0.002","90","","100.881","0.002","90","","5948.5","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 N18 O15 Zn3 -","- C54 H38 N18 O15 Zn3 -","- C216 H152 N72 O60 Zn12 -","4","0.5","","Zhang, Ya-Qian; Blatov, Vladislav A.; Zheng, Tian-Rui; Yang, Chang-Hao; Qian, Lin-Lu; Li, Ke; Li, Bao-Long; Wu, Bing","A luminescent zinc(ii) coordination polymer with unusual (3,4,4)-coordinated self-catenated 3D network for selective detection of nitroaromatics and ferric and chromate ions: a versatile luminescent sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6189","6198","10.1039/c7dt04682k","","","0.71073","MoKα","","0.1161","0.0771","","","0.1986","0.2251","","","","","","1.03","","","","has coordinates,has disorder","229550","2020-10-21","18:00:00",""
"1549199","13.003","0.003","26.767","0.005","14.013","0.003","90","","103.41","0.03","90","","4744.3","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C96 H76 Fe4 K4 N24 O11 -","- C96 H76 Fe4 K4 N24 O11 -","- C192 H152 Fe8 K8 N48 O22 -","2","1","","Singh, Alok Kumar; Pandey, Gajanan; Singh, Kaman; Kumar, Abhinav; Trivedi, Manoj; Singh, Vikram","A ternary Fe(ii)-terpyridyl complex-based single platform for reversible multiple-ion recognition.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6386","6393","10.1039/c8dt00539g","","","0.71073","MoKα","","0.1767","0.0833","","","0.1023","0.1404","","","","","","1.001","","","","has coordinates,has disorder","229879","2020-10-21","18:00:00",""
"1549200","7.8085","0.0003","15.6671","0.0007","17.1368","0.0005","77.338","0.003","89.736","0.003","76.579","0.004","1987.25","0.14","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H40 B Cl N4 O Pt -","- C48 H40 B Cl N4 O Pt -","- C96 H80 B2 Cl2 N8 O2 Pt2 -","2","1","","Maroń, Anna; Czerwińska, Katarzyna; Machura, Barbara; Raposo, Luis; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Małecki, Jan G; Szlapa-Kula, Agata; Kula, Slawomir; Krompiec, Stanisław","Spectroscopy, electrochemistry and antiproliferative properties of Au(iii), Pt(ii) and Cu(ii) complexes bearing modified 2,2':6',2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6444","6463","10.1039/c8dt00558c","","x-ray","0.71073","MoKα","","0.0664","0.0459","","","0.0949","0.1061","","","","","","1.016","","","","has coordinates,has disorder","229876","2020-10-21","18:00:00",""
"1549201","8.075","0.0003","21.7655","0.0009","17.4149","0.0006","90","","93.847","0.003","90","","3053.9","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Au Cl F12 N3 O P2 -","- C26 H19 Au Cl F12 N3 O P2 -","- C104 H76 Au4 Cl4 F48 N12 O4 P8 -","4","1","","Maroń, Anna; Czerwińska, Katarzyna; Machura, Barbara; Raposo, Luis; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Małecki, Jan G; Szlapa-Kula, Agata; Kula, Slawomir; Krompiec, Stanisław","Spectroscopy, electrochemistry and antiproliferative properties of Au(iii), Pt(ii) and Cu(ii) complexes bearing modified 2,2':6',2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6444","6463","10.1039/c8dt00558c","","","0.71073","MoKα","","0.0871","0.0515","","","0.1091","0.1248","","","","","","1.029","","","","has coordinates","229876","2020-10-21","18:00:00",""
"1549202","11.8647","0.0007","14.5225","0.0008","15.1167","0.0007","90","","94.526","0.005","90","","2596.6","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Cl F3 N3 O4 Pt S -","- C27 H19 Cl F3 N3 O4 Pt S -","- C108 H76 Cl4 F12 N12 O16 Pt4 S4 -","4","1","","Maroń, Anna; Czerwińska, Katarzyna; Machura, Barbara; Raposo, Luis; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Małecki, Jan G; Szlapa-Kula, Agata; Kula, Slawomir; Krompiec, Stanisław","Spectroscopy, electrochemistry and antiproliferative properties of Au(iii), Pt(ii) and Cu(ii) complexes bearing modified 2,2':6',2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6444","6463","10.1039/c8dt00558c","","","0.71073","MoKα","","0.1173","0.0506","","","0.0717","0.0875","","","","","","0.9","","","","has coordinates","229876","2020-10-21","18:00:00",""
"1549203","15.2102","0.0008","12.3174","0.0005","17.3958","0.0006","90","","109.289","0.005","90","","3076.2","0.2","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Au Cl F12 N4 O P2 -","- C24 H20 Au Cl F12 N4 O P2 -","- C96 H80 Au4 Cl4 F48 N16 O4 P8 -","4","1","","Maroń, Anna; Czerwińska, Katarzyna; Machura, Barbara; Raposo, Luis; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Małecki, Jan G; Szlapa-Kula, Agata; Kula, Slawomir; Krompiec, Stanisław","Spectroscopy, electrochemistry and antiproliferative properties of Au(iii), Pt(ii) and Cu(ii) complexes bearing modified 2,2':6',2''-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6444","6463","10.1039/c8dt00558c","","","0.71073","MoKα","","0.0811","0.0494","","","0.1189","0.1359","","","","","","1.011","","","","has coordinates","229876","2020-10-21","18:00:00",""
"1549204","31.3887","0.0011","13.1644","0.0004","31.1914","0.0009","90","","90.956","0.003","90","","12886.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Cl2 N13 O10 Zn2 -","- C64 H50 Cl2 N13 O10 Zn2 -","- C512 H400 Cl16 N104 O80 Zn16 -","8","1","","Mawai, Kiran; Nathani, Sandip; Roy, Partha; Singh, U. P.; Ghosh, Kaushik","Combined experimental and theoretical studies on selective sensing of zinc and pyrophosphate ions by rational design of compartmental chemosensor probe: Dual sensing behaviour via secondary recognition approach and cell imaging studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6421","6434","10.1039/c8dt01016a","","","0.71073","MoKα","","0.1662","0.0607","","","0.1503","0.1976","","","","","","0.954","","","","has coordinates","229869","2020-10-21","18:00:00",""
"1549205","16.0265","0.0005","18.9031","0.0005","14.5969","0.0004","90","","107.211","0.003","90","","4224.1","0.2","293.21","0.1","293.21","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl N P Pt -","- C26 H21 Cl N P Pt -","- C208 H168 Cl8 N8 P8 Pt8 -","8","2","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Pfitzner, Arno; Rashidi, Mehdi","Influence of ancillary ligands on the photophysical properties of cyclometalated organoplatinum(ii) complexes","New Journal of Chemistry","2018","42","11","8661","","10.1039/C7NJ04888B","","x-ray","1.54184","CuKα","","0.0223","0.0186","","","0.0438","0.046","","","","1.1","1.1","1.1","","","","has coordinates","230542","2020-10-21","18:00:00",""
"1549206","10.8604","0.0003","9.7288","0.0003","21.8042","0.0006","90","","92.492","0.002","90","","2301.62","0.11","296.17","0.1","296.17","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N P Pt -","- C28 H26 N P Pt -","- C112 H104 N4 P4 Pt4 -","4","1","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Pfitzner, Arno; Rashidi, Mehdi","Influence of ancillary ligands on the photophysical properties of cyclometalated organoplatinum(ii) complexes","New Journal of Chemistry","2018","42","11","8661","","10.1039/C7NJ04888B","","x-ray","1.54184","CuKα","","0.0197","0.0165","","","0.0399","0.0414","","","","1.23","1.23","1.2","","","","has coordinates","230542","2020-10-21","18:00:00",""
"1549207","10.8827","0.0003","11.0853","0.0004","11.3916","0.0002","95.334","0.002","100.076","0.0018","99.549","0.002","1323.75","0.07","122.99","0.1","122.99","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N P Pt -","- C33 H28 N P Pt -","- C66 H56 N2 P2 Pt2 -","2","1","","Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Pfitzner, Arno; Rashidi, Mehdi","Influence of ancillary ligands on the photophysical properties of cyclometalated organoplatinum(ii) complexes","New Journal of Chemistry","2018","42","11","8661","","10.1039/C7NJ04888B","","x-ray","0.71073","MoKα","","0.0208","0.0177","","","0.0449","0.0459","","","","1.34","1.34","1.33","","","","has coordinates","230542","2020-10-21","18:00:00",""
"1549208","7.7445","0.0003","7.536","0.0003","9.9477","0.0004","90","","92.123","0.004","90","","580.17","0.04","150","1","150","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H16 O5 S -","- C9 H16 O5 S -","- C18 H32 O10 S2 -","2","1","","Pisareva, A. V.; Shilov, G. V.; Karelin, A. I.; Pisarev, R. V.; Shilova, I. A.; Dobrovolsky, Yu A.; Aldoshin, S. M.","Synthesis, structure and proton conductivity of 2,4,5-trimethylbenzenesulfonic acid dihydrate","New Journal of Chemistry","2018","42","9","7428","","10.1039/C7NJ05068B","","","0.7107","MoKα","","0.0337","0.0323","","","0.0789","0.0809","","","","","","1.094","","","","has coordinates","230440","2020-10-21","18:00:00",""
"1549209","25.144","0.0014","13.56","0.0006","17.3063","0.0009","90","","112.785","0.007","90","","5440.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H66 Fe2 N6 O5 -","- C56 H66 Fe2 N6 O5 -","- C224 H264 Fe8 N24 O20 -","4","0.5","","Safaei, Elham; Alaji, Zahra; Panahi, Farhad; Wojtczak, Andrzej; Jagličić, Janez Zvonko","Synthesis and characterization of a novel oxo-bridged binuclear iron(iii) complex: its catalytic application in the synthesis of benzoxazoles using benzyl alcohol in water","New Journal of Chemistry","2018","42","9","7230","","10.1039/C8NJ00921J","","","0.71073","MoKα","","0.0653","0.0416","","","0.1114","0.1234","","","","","","0.998","","","","has coordinates","230436","2020-10-21","18:00:00",""
"1549210","9.994","0.002","10.991","0.002","13.402","0.003","94.44","0.03","111.73","0.03","106.35","0.03","1284.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 Pt -","- C30 H28 N2 Pt -","- C60 H56 N4 Pt2 -","2","1","","Fereidoonnezhad, Masood; Shahsavari, Hamid R.; Abedanzadeh, Sedigheh; Nezafati, Ali; Khazali, Ali; Mastrorilli, Piero; Babaghasabha, Mojgan; Webb, James; Faghih, Zeinab; Faghih, Zahra; Bahemmat, Samira; Beyzavi, M. Hassan","Synthesis, structural characterization, biological evaluation and molecular docking studies of new platinum(ii) complexes containing isocyanides","New Journal of Chemistry","2018","42","11","8681","","10.1039/C7NJ04819J","","","0.71073","MoKα","","0.0684","0.0568","","","0.1255","0.1299","","","","","","1.012","","","","has coordinates","230520","2020-10-21","18:00:00",""
"1549211","21.288","0.01","10.071","0.005","26.44","0.013","90","","112.811","0.018","90","","5225","4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Al N O3 -","- C27 H38 Al N O3 -","- C216 H304 Al8 N8 O24 -","8","2","","Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee","Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone","New Journal of Chemistry","2018","42","11","8374","","10.1039/C8NJ00937F","","","0.71073","MoKα","","0.0779","0.053","","","0.1354","0.1485","","","","","","1.041","","","","has coordinates","230534","2020-10-21","18:00:00",""
"1549212","18.3409","0.0019","6.4457","0.0006","38.253","0.003","90","","95.468","0.007","90","","4501.7","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C200 H264 N8 O24 -","8","1","","Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee","Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone","New Journal of Chemistry","2018","42","11","8374","","10.1039/C8NJ00937F","","","0.71073","MoKα","","0.0847","0.0785","","","0.1605","0.1634","","","","","","1.09","","","","has coordinates","230534","2020-10-21","18:00:00",""
"1549213","21.164","0.003","10.0463","0.0013","26.332","0.003","90","","112.398","0.004","90","","5176.3","1.2","133","","133","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Al Cl N O3 -","- C26 H35 Al Cl N O3 -","- C208 H280 Al8 Cl8 N8 O24 -","8","2","","Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee","Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone","New Journal of Chemistry","2018","42","11","8374","","10.1039/C8NJ00937F","","","0.71073","MoKα","","0.0758","0.0524","","","0.1235","0.1362","","","","","","1.054","","","","has coordinates,has disorder","230534","2020-10-21","18:00:00",""
"1549214","10.098","0.005","10.771","0.004","14.599","0.008","105.627","0.016","97.16","0.02","96.551","0.013","1499","1.3","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 Al N O4 -","- C30.0024 H44.0072 Al N O4 -","- C60.0048 H88.0144 Al2 N2 O8 -","2","1","","Kiriratnikom, Jiraya; Chotchatchawankul, Sucheewin; Haesuwannakij, Setsiri; Kiatisevi, Supavadee; Phomphrai, Khamphee","Synthesis and characterization of neutral and cationic aluminum complexes supported by a furfuryl-containing aminophenolate ligand for ring-opening polymerization of ε-caprolactone","New Journal of Chemistry","2018","42","11","8374","","10.1039/C8NJ00937F","","","0.71073","MoKα","","0.0587","0.0514","","","0.1293","0.1343","","","","","","1.028","","","","has coordinates,has disorder","230534","2020-10-21","18:00:00",""
"1549215","18.3692","0.0007","13.9179","0.0005","18.6682","0.0009","90","","107.269","0.005","90","","4557.6","0.3","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 2-tert-butyl-1-isopentyl-4-phenyl-2H-pyridine-5,6-dicarboxylate","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0815","0.0543","","","0.1332","0.1524","","","","","","1.018","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549216","11.9792","0.0006","12.1131","0.0005","13.4962","0.0007","94.97","0.004","103.881","0.004","109.494","0.004","1762.21","0.16","99.96","0.1","99.96","0.1","","","","","","","","4","P -1","-P 1","2","","methyl-2-(tert-butyl)-4-phenyl-1-propyl-1,2 dihydropyridine-3-carboxylate'","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","2","","Shehzadi, Syeda Aaliya; Vande Velde, Christophe M. L.; Saeed, Aamer; Abbaspour Tehrani, Kourosch","Synthesis of highly functionalized 1,6-dihydropyridines via the Zn(OTf)<sub>2</sub>-catalyzed three-component cascade reaction of aldimines and two alkynes (IA<sup>2</sup>-coupling).","Organic & biomolecular chemistry","2018","16","17","3241","3247","10.1039/c8ob00195b","","x-ray","1.54184","CuKα","","0.0517","0.043","","","0.113","0.122","","","","","","1.023","","","","has coordinates","230709","2020-10-21","18:00:00",""
"1549217","17.6414","0.0012","17.596","0.0012","17.5732","0.0011","90","","103.004","0.002","90","","5315.1","0.6","120","","119.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Cl N2 O2 S -","- C32 H27 Cl N2 O2 S -","- C256 H216 Cl8 N16 O16 S8 -","8","1","","Bao, Ming; Lu, Wei; Su, Han; Qiu, Lihua; Xu, Xinfang","A convergent formal [4 + 2] cycloaddition of 1,6-diynes and benzyl azides: construction of spiro-polyheterocycles.","Organic & biomolecular chemistry","2018","16","17","3258","3265","10.1039/c8ob00735g","","","0.71073","MoKα","","0.1351","0.0565","","","0.1267","0.184","","","","","","1.108","","","","has coordinates","230708","2020-10-21","18:00:00",""
"1549218","20.4266","0.0018","9.3782","0.0007","24.537","0.002","90","","108.456","0.002","90","","4458.7","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 B Cl Ir N2 -","- C55 H49 B Cl Ir N2 -","- C220 H196 B4 Cl4 Ir4 N8 -","4","1","","Zhang, Hairong; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; Zhang, Shumiao; Xu, Zhishan; Gong, Peiwei; Zheng, Xiaofeng; Zhao, Jia; Liu, Zhe","Significant effects of counteranions on the anticancer activity of iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","35","4421","4424","10.1039/c8cc01326h","","","0.71073","MoKα","","0.0648","0.0362","","","0.0733","0.0812","","","","","","1.037","","","","has coordinates","228506","2020-10-21","18:00:00",""
"1549219","7.1352","0.0003","13.528","0.0007","14.6245","0.0008","70.019","0.005","86.507","0.004","89.808","0.004","1323.96","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","all-cis 1,2,3,4,5,6-hexafluorocyclohexane tetraphenylphosphonium chloride adduct","","- C30 H28 Cl F6 O P -","- C30 H28 Cl F6 O P -","- C60 H56 Cl2 F12 O2 P2 -","2","1","","Shyshov, Oleksandr; Siewerth, Kevin Andre; von Delius, Max","Evidence for anion-binding of all-cis hexafluorocyclohexane in solution and solid state.","Chemical communications (Cambridge, England)","2018","54","34","4353","4355","10.1039/c8cc01797b","","","0.71073","MoKα","","0.0634","0.0493","","","0.1211","0.1341","","","","","","1.044","","","","has coordinates","228586","2020-10-21","18:00:00",""
"1549220","9.6247","0.0005","15.2549","0.0008","12.526","0.0009","90","","95.154","0.005","90","","1831.68","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N S -","- C25 H18 N S -","- C100 H72 N4 S4 -","4","1","","Ponram, Marimuthu; Balijapalli, Umamahesh; Sambath, Baskaran; Iyer, Sathiyanarayanan Kulathu; B, Venkatachalapathy; Cingaram, Ravichandran; Natesan Sundaramurthy, Karthikeyan","Development of paper-based chemosensor for the detection of mercury ions using mono- and tetra-sulfur bearing phenanthridines","New Journal of Chemistry","2018","42","11","8530","","10.1039/C8NJ00760H","","","1.54184","CuKα","","0.1067","0.0853","","","0.224","0.2635","","","","","","0.97","","","","has coordinates","230539","2020-10-21","18:00:00",""
"1549221","21.348","0.004","9.871","0.002","17.745","0.004","90","","92.423","0.005","90","","3736","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C192 H144 N16 O16 -","8","1","","Kumari, Santosh; Shakoor, S. M. Abdul; Khullar, Sadhika; Mandal, Sanjay K.; Sakhuja, Rajeev","An unprecedented tandem synthesis of fluorescent coumarin-fused pyrimidines via copper-catalyzed cross-dehydrogenative C(sp<sup>3</sup>)-N bond coupling.","Organic & biomolecular chemistry","2018","16","17","3220","3228","10.1039/c8ob00586a","","","0.71073","MoKα","","0.073","0.046","","","0.1064","0.1199","","","","","","1.024","","","","has coordinates","230710","2020-10-21","18:00:00",""
"1549222","19.931","0.008","12.616","0.008","21.565","0.012","90","","109.346","0.014","90","","5116","5","213","","213","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 N2 O2 P -","- C24 H37 N2 O2 P -","- C192 H296 N16 O16 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0571","0.0485","","","0.1339","0.1426","","","","","","1.033","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549223","8.3589","0.0017","16.491","0.003","18.049","0.004","90","","93.77","0.03","90","","2482.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N4 P -","- C24 H41 N4 P -","- C96 H164 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.1026","0.0798","","","0.1936","0.207","","","","","","1.086","","","","has coordinates,has disorder","228819","2020-10-21","18:00:00",""
"1549224","8.587","0.002","17.687","0.005","16.43","0.005","90","","99.539","0.006","90","","2460.9","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 N2 O2 P -","- C26 H33 N2 O2 P -","- C104 H132 N8 O8 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0576","0.0494","","","0.1325","0.1385","","","","","","0.997","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549225","12.8565","0.0018","9.4531","0.0013","19.152","0.003","90","","96.382","0.004","90","","2313.2","0.6","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 P -","- C26 H31 N4 P -","- C104 H124 N16 P4 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0489","0.0432","","","0.1188","0.1248","","","","","","1.035","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549226","27.535","0.006","11.39","0.002","20.157","0.004","90","","129.45","0.03","90","","4881","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 N4 O4 P2 -","- C48 H74 N4 O4 P2 -","- C192 H296 N16 O16 P8 -","4","0.5","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0838","0.0715","","","0.1978","0.2046","","","","","","1.111","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549227","9.2449","0.0012","21.052","0.003","20.977","0.003","90","","94.271","0.002","90","","4071.3","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O4 P2 -","- C38 H54 N4 O4 P2 -","- C152 H216 N16 O16 P8 -","4","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.0902","0.0749","","","0.2038","0.2112","","","","","","1.157","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549228","19.707","0.005","17.611","0.004","20.439","0.005","90","","90","","90","","7094","3","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H50 B N2 O5 P -","- C34 H50 B N2 O5 P -","- C272 H400 B8 N16 O40 P8 -","8","1","","Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.","Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.","Chemical science","2018","9","18","4338","4347","10.1039/c8sc00929e","","","0.71073","MoKα","","0.067","0.0535","","","0.2029","0.2269","","","","","","0.96","","","","has coordinates","228819","2020-10-21","18:00:00",""
"1549229","10.8022","0.0002","13.9084","0.0002","14.6076","0.0003","115.284","0.001","109.088","0.002","90.525","0.001","1846.65","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene, acetic acid and DMSO","Triamterenium acetate, DMSO solvate","","- C16 H21 N7 O3 S -","- C16 H21 N7 O3 S -","- C64 H84 N28 O12 S4 -","4","2","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.0811","0.0466","","","0.1179","0.126","","","","","","0.935","","","","has coordinates","207260","2020-10-21","18:00:00",""
"1549230","13.5226","0.0007","14.9966","0.0007","10.6958","0.0005","90","","104.179","0.002","90","","2102.95","0.18","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Triamterene, succinic acid and DMSO","Triamterenium succinate, DMSO solvate","","- C18 H23 N7 O5 S -","- C18 H23 N7 O5 S -","- C72 H92 N28 O20 S4 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.0896","0.0364","","","0.0693","0.0735","","","","","","0.747","","","","has coordinates","207260","2020-10-21","18:00:00",""
"1549231","11.0286","0.0003","13.7429","0.0004","14.9742","0.0005","115.247","0.002","109.951","0.004","90.122","0.002","1900.25","0.12","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene, adipic acid and DMSO","Triamterenium adipate, DMSO solvate","","- C34 H44 N14 O6 S2 -","- C34 H44 N14 O6 S2 -","- C68 H88 N28 O12 S4 -","2","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.1007","0.0729","","","0.1727","0.1911","","","","","","1.022","","","","has coordinates,has disorder","207260","2020-10-21","18:00:00",""
"1549232","14.075","0.0005","14.8889","0.0006","19.635","0.002","86.408","0.002","88.142","0.003","71.702","0.002","3898.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Triamterene, pimelic acid and DMSO","Triamterenium pimelate, DMSO solvate","","- C35 H46 N14 O6 S2 -","- C35 H46 N14 O6 S2 -","- C140 H184 N56 O24 S8 -","4","2","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.2057","0.0788","","","0.1951","0.22","","","","","","0.945","","","","has coordinates","207260","2020-10-21","18:00:00",""
"1549233","15.0338","0.0003","11.5004","0.0002","24.396","0.0006","90","","104.539","0.001","90","","4082.87","0.15","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triamterene, azelaic acid and DMSO","Triamterenium azelate, DMSO solvate","","- C37 H50 N14 O6 S2 -","- C37 H50 N14 O6 S2 -","- C148 H200 N56 O24 S8 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.1039","0.0587","","","0.1461","0.1634","","","","","","1.033","","","","has coordinates","207260","2020-10-21","18:00:00",""
"1549234","14.8461","0.0002","12.3081","0.0003","21.285","0.0005","90","","105.176","0.001","90","","3753.71","0.14","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Triamterene, nicotinic acid and DMSO","Triamterenium nicotinate, Triamterene and DMSO solvate","","- C34 H39 N15 O4 S2 -","- C34 H39 N15 O4 S2 -","- C136 H156 N60 O16 S8 -","4","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.7107","MoKα","","0.0925","0.0414","","","0.0803","0.0887","","","","","","0.897","","","","has coordinates","207260","2020-10-21","18:00:00",""
"1549235","11.2398","0.0003","13.2439","0.0003","15.4624","0.0004","113.595","0.002","103.527","0.003","91.977","0.002","2029.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Triamterene and Ibuprofen salt, DMSO solvate","Triamterene and Ibuprofen, DMSO solvate","","- C39 H46 N14 O3 S -","- C39 H46 N14 O3 S -","- C78 H92 N28 O6 S2 -","2","1","","Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William","Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules","IUCrJ","2018","5","3","","","10.1107/S2052252518003317","","","0.71073","MoKα","","0.109","0.0737","","","0.1891","0.2145","","","","","","1.021","","","","has coordinates,has disorder","207260","2020-10-21","18:00:00",""
"1549236","11.269","0.0004","7.3358","0.0003","14.2605","0.0005","90","","101.418","0.001","90","","1155.54","0.07","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 B Br2 N -","- C27 H22 B Br2 N -","- C54 H44 B2 Br4 N2 -","2","1","","Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang","9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions.","Chemical science","2018","9","19","4444","4450","10.1039/c8sc00688a","","","0.71073","MoKα","","0.0304","0.0271","","","0.0646","0.0664","","","","","","1.051","","","","has coordinates","228743","2020-10-21","18:00:00",""
"1549237","12.0663","0.0006","10.1526","0.0005","18.2867","0.001","90","","103.196","0.002","90","","2181.05","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-(5-chloro-2-ethoxy-3-(isopropylthio)phenyl)-2-cyclohexylacetyl) oxazolidin-2-one","","- C22 H30 Cl N O4 S -","- C22 H30 Cl N O4 S -","- C88 H120 Cl4 N4 O16 S4 -","4","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.0497","0.0366","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549238","22.362","0.013","58.28","0.03","5.779","0.004","90","","90","","90","","7532","8","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","3-(2-phenyl-2-(4-(phenylthio)phenyl)acetyl)oxazolidin-2-one","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C368 H304 N16 O48 S16 -","16","1","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","x-ray","0.71073","MoKα","","0.1154","0.0627","","","0.1219","0.1412","","","","","","1.018","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549239","11.7592","0.0013","10.1198","0.001","32.161","0.003","90","","90","","90","","3827.2","0.7","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","3-(1-cyclohexyl-2-oxo-2-(2-oxooxazolidin-3-yl)ethyl)-2-(methylthio)phenyl acetate","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C160 H200 N8 O40 S8 -","8","2","","Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno","Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement.","Chemical science","2018","9","17","4124","4131","10.1039/c7sc04736c","","","0.71073","MoKα","","0.0457","0.0445","","","0.1147","0.1156","","","","","","1.081","","","","has coordinates","228720","2020-10-21","18:00:00",""
"1549240","28.985","0.01","16.557","0.006","11.389","0.004","90","","90","","90","","5466","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F281.16 Sr68.58 Zr36 -","- F280.96 Sr68.58 Zr36 -","- F280.96 Sr68.58 Zr36 -","1","0.125","","Jean-Paul Laval; Hamid Rafik; Gilles Trolliard","Microphases deriving from Ba2ZrF8 structure type: II: Crystal structure of Sr17Zr9F70 and Sr17.145Zr9F70.29","Journal of Solid State Chemistry","2018","260","","151","158","10.1016/j.jssc.2018.01.005","","","0.7107","MoKα","","0.1524","0.0618","","","0.1183","0.1522","","","","","","1.048","","","","has coordinates","207301","2020-10-21","18:00:00",""
"1549241","28.812","0.01","16.566","0.006","11.433","0.004","90","","90","","90","","5457","3","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- F280 Sr68 Zr36 -","- F280.632 Sr68 Zr36 -","- F280.632 Sr68 Zr36 -","1","0.125","","Jean-Paul Laval; Hamid Rafik; Gilles Trolliard","Microphases deriving from Ba2ZrF8 structure type: II: Crystal structure of Sr17Zr9F70 and Sr17.145Zr9F70.29","Journal of Solid State Chemistry","2018","260","","151","158","10.1016/j.jssc.2018.01.005","","","0.7107","MoKα","","0.1035","0.0446","","","0.043","0.0523","","","","","","1.054","","","","has coordinates","207302","2020-10-21","18:00:00",""
"1549242","8.6949","0.0006","13.9549","0.0009","19.9508","0.0015","90","","90","","90","","2420.8","0.3","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 F3 Mn O6 P2 S -","- C18 H32 F3 Mn O6 P2 S -","- C72 H128 F12 Mn4 O24 P8 S4 -","4","1","","Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles","Catalysis Science & Technology","2018","8","10","2606","","10.1039/C8CY00416A","","","0.71073","MoKα","","0.1202","0.0766","","","0.1661","0.197","","","","","","1.054","","","","has coordinates,has disorder","227956","2020-10-21","18:00:00",""
"1549243","11.403","0.014","10.995","0.013","11.715","0.014","90","","100.143","0.017","90","","1446","3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H12 Mo6 N4 O30 -","- Co H12 Mo6 N4 O30 -","- Co2 H24 Mo12 N8 O60 -","2","0.5","","Tang, Yu-Jia; Zhang, A-Man; Zhu, Hong-Jing; Dong, Long-Zhang; Wang, Xiao-Li; Li, Shun-Li; Han, Min; Xu, Xiang-Xin; Lan, Ya-Qian","Polyoxometalate precursors for precisely controlled synthesis of bimetallic sulfide heterostructure through nucleation-doping competition.","Nanoscale","2018","10","18","8404","8412","10.1039/c8nr00925b","","","0.71073","MoKα","","0.0768","0.0642","","","0.1523","0.1641","","","","","","1.14","","","","has coordinates","230157","2020-10-21","18:00:00",""
"1549244","14.617","0.007","14.759","0.007","21.243","0.01","90","","107.874","0.01","90","","4362","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 Cu F6 N3 Sb Si3 -","- C36 H56 Cu F6 N3 Sb Si3 -","- C144 H224 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.1162","0.0586","","","0.1179","0.1441","","","","","","1.01","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549245","13.3555","0.0016","13.9173","0.0016","18.181","0.002","90","","102.245","0.003","90","","3302.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cu F6 N2 Sb -","- C33 H42 Cu F6 N2 Sb -","- C132 H168 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0958","0.0516","","","0.0932","0.1086","","","","","","1.027","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549246","10.506","0.005","20.813","0.009","20.435","0.009","90","","104.638","0.01","90","","4323","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 Cu F6 N2 Sb -","- C40 H56 Cl2 Cu F6 N2 Sb -","- C160 H224 Cl8 Cu4 F24 N8 Sb4 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.125","0.0632","","","0.1003","0.1066","","","","","","1.971","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549247","13.605","0.004","14.057","0.004","21.79","0.008","90","","107.833","0.009","90","","3967","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 Cu F6 N3 Sb Si3 -","- C33 H59 Cu F6 N3 Sb Si3 -","- C132 H236 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana","Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene.","Chemical science","2018","9","18","4333","4337","10.1039/c8sc00459e","","","0.71073","MoKα","","0.0834","0.0382","","","0.0642","0.0772","","","","","","1.094","","","","has coordinates","228823","2020-10-21","18:00:00",""
"1549248","16.565","0.004","10.745","0.003","31.067","0.008","90","","92.088","0.006","90","","5526","2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl2 N12 -","- C57 H60 Cl2 N12 -","- C228 H240 Cl8 N48 -","4","1","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.6889","","","0.1869","0.0958","","","0.2278","0.2865","","","","","","0.986","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1549249","10.654","0.003","23.151","0.006","25.363","0.007","90","","90","","90","","6256","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C65 H69 Cl3 N12 -","- C65 H69 Cl3 N12 -","- C260 H276 Cl12 N48 -","4","1","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.7749","synchrotron","","0.1079","0.0654","","","0.1399","0.1596","","","","","","1.005","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1549250","21.3987","0.0016","21.3987","0.0016","21.3164","0.0018","90","","90","","120","","8453.2","1.1","100","","100","","","","","","","","","4","R 3","R 3","146","","","","- C103.75 H111.5 Cl15.5 N24 -","- C103.75 H111.5 Cl15.4999 N24 -","- C311.25 H334.499 Cl46.4997 N72 -","3","","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.6889","","","0.0973","0.0912","","","0.2501","0.2591","","","","","","1.065","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1549251","24.3478","0.0005","24.3478","0.0005","24.3478","0.0005","90","","90","","90","","14433.7","0.5","100","2","100.15","","","","","","","","","4","F 2 3","F 2 2 3","196","","","","- C106 H96 Cl40 N24 -","- C106 H96 Cl39.9792 N24 -","- C424 H384 Cl159.917 N96 -","4","0.0833333","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.71073","MoKα","","0.0551","0.0468","","","0.1329","0.1428","","","","","","1.046","","","","has coordinates","207358","2020-10-21","18:00:00",""
"1549252","17.1487","0.0011","18.3913","0.0011","24.7171","0.0015","73.378","0.002","72.98","0.002","76.7","0.002","7050.9","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C107.33 H107.33 Cl33.97 N24 -","- C107.323 H107.323 Cl33.9678 N24 -","- C214.645 H214.645 Cl67.9356 N48 -","2","1","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.71073","MoKα","","0.0967","0.0798","","","0.2284","0.2512","","","","","","1.038","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1549253","14.6519","0.0006","15.5746","0.0006","27.2406","0.001","90","","90","","90","","6216.2","0.4","103","2","103","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","MK402","","","- C26 H49 F3 Ir N2 O2 P2 -","- C26 H49 F3 Ir N2 O2 P2 -","- C208 H392 F24 Ir8 N16 O16 P16 -","8","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0278","0.0193","","","0.0362","0.0386","","","","","","1.031","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549254","11.2846","0.001","14.9634","0.0013","19.8058","0.0017","90","","92.013","0.003","90","","3342.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MK461","","","- C31 H55 Ir N2 O2 P2 -","- C31 H55 Ir N2 O2 P2 -","- C124 H220 Ir4 N8 O8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0696","0.0399","","","0.0642","0.0712","","","","","","1.073","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549255","11.0958","0.0006","15.4511","0.0008","16.0856","0.0009","90","","100.56","0.002","90","","2711","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MK352","","","- C24 H49 Ir N2 P2 -","- C24 H49 Ir N2 P2 -","- C96 H196 Ir4 N8 P8 -","4","1","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0253","0.0175","","","0.034","0.0374","","","","","","1.192","","","","has coordinates","228822","2020-10-21","18:00:00",""
"1549256","7.9728","0.0003","21.7175","0.0009","8.7383","0.0003","90","","113.559","0.001","90","","1386.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","MK 460","","","- C25 H49 Ir N2 O2 P2 -","- C25 H49 Ir N2 O2 P2 -","- C50 H98 Ir2 N4 O4 P4 -","2","0.5","","Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven","An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state.","Chemical science","2018","9","18","4325","4332","10.1039/c8sc01113c","","","0.71073","MoKα","","0.0272","0.0212","","","0.0369","0.038","","","","","","1.12","","","","has coordinates,has disorder","228822","2020-10-21","18:00:00",""
"1549257","25.147","0.006","18.137","0.004","23.271","0.006","90","","118.845","0.008","90","","9297","4","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H76 B2 O2 Pb Si8 -","- C28 H76 B2 O2 Pb Si8 -","- C224 H608 B16 O16 Pb8 Si64 -","8","1","","Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann","Stable lead(ii) boroxides.","Chemical communications (Cambridge, England)","2018","54","42","5299","5302","10.1039/c8cc02459f","","x-ray","0.71073","MoKα","","0.1191","0.079","","","0.1494","0.171","","","","","","1.062","","","","has coordinates","228159","2020-10-21","18:00:00",""
"1549258","25.1738","0.0008","18.1907","0.0006","24.6824","0.0007","90","","123.917","0.001","90","","9379.6","0.5","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H76 B2 O2 Si8 Sn -","- C28 H76 B2 O2 Si8 Sn -","- C224 H608 B16 O16 Si64 Sn8 -","8","1","","Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann","Stable lead(ii) boroxides.","Chemical communications (Cambridge, England)","2018","54","42","5299","5302","10.1039/c8cc02459f","","x-ray","0.71073","MoKα","","0.0654","0.0398","","","0.0767","0.0858","","","","","","1.012","","","","has coordinates","228159","2020-10-21","18:00:00",""
"1549259","18.87","0.0008","10.1801","0.0004","19.4987","0.0007","90","","90.176","0.002","90","","3745.7","0.3","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F36 O7 Pb4 -","- C18 H6 F36 O7 Pb4 -","- C72 H24 F144 O28 Pb16 -","4","1","","Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann","Stable lead(ii) boroxides.","Chemical communications (Cambridge, England)","2018","54","42","5299","5302","10.1039/c8cc02459f","","x-ray","0.71073","MoKα","","0.0729","0.0455","","","0.126","0.1596","","","","","","0.934","","","","has coordinates","228159","2020-10-21","18:00:00",""
"1549260","8.9054","0.001","10.6022","0.0011","12.4223","0.0014","103.574","0.004","110.985","0.004","103.843","0.004","994.7","0.2","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H30 N2 Pb Si2 -","- C15 H30 N2 Pb Si2 -","- C30 H60 N4 Pb2 Si4 -","2","1","","Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann","Stable lead(ii) boroxides.","Chemical communications (Cambridge, England)","2018","54","42","5299","5302","10.1039/c8cc02459f","","x-ray","0.71073","MoKα","","0.0264","0.024","","","0.0624","0.0632","","","","","","1.159","","","","has coordinates","228159","2020-10-21","18:00:00",""
"1549261","9.1319","0.0009","18.6282","0.0017","18.929","0.002","90","","102.613","0.004","90","","3142.3","0.5","150","","150","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H50 B N O Pb Si4 -","- C23 H50 B N O Pb Si4 -","- C92 H200 B4 N4 O4 Pb4 Si16 -","4","1","","Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann","Stable lead(ii) boroxides.","Chemical communications (Cambridge, England)","2018","54","42","5299","5302","10.1039/c8cc02459f","","x-ray","0.71073","MoKα","","0.0285","0.0234","","","0.0565","0.0581","","","","","","1.122","","","","has coordinates","228159","2020-10-21","18:00:00",""
"1549262","17.8904","0.0016","17.8904","0.0016","12.7999","0.0013","90","","90","","120","","3547.9","0.6","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C24 H106 Ca Cu6 N6 O66 -","- C24 H24 Ca Cu6 N6 O66 -","- C48 H48 Ca2 Cu12 N12 O132 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0474","0.041","","","0.1184","0.1284","","","","","","1.099","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549263","17.9504","0.0013","17.9504","0.0013","12.5603","0.0011","90","","90","","120","","3504.9","0.5","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C48.4 H80.2 Ca Cu6 N11 O37.6 -","- C38.4017 H6 Ca Cu6 N6 O37.6002 -","- C76.8034 H12 Ca2 Cu12 N12 O75.2004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0737","0.0613","","","0.1906","0.2052","","","","","","0.953","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549264","17.9607","0.0011","17.9607","0.0011","12.6765","0.0008","90","","90","","120","","3541.4","0.4","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H83 Ca Cu6 N9 O54 -","- C36.0006 H40.0008 Ca Cu6 N6 O52.5006 -","- C72.0012 H80.0016 Ca2 Cu12 N12 O105.001 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0578","0.0462","","","0.1379","0.1531","","","","","","0.891","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549265","17.9035","0.0009","17.9035","0.0009","12.6421","0.0007","90","","90","","120","","3509.3","0.3","90","2","90","2","","","","","","","","6","P 63","P 6c","173","","","","- C42 H89 Ca Cu6 N9 O51 -","- C30.0003 H24 Ca Cu6 N6 O49.0002 -","- C60.0006 H48 Ca2 Cu12 N12 O98.0004 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.0558","0.0491","","","0.1525","0.1607","","","","","","1.043","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549266","17.997","0.003","17.997","0.003","12.861","0.002","90","","90","","120","","3607.5","1","90","2","90","2","","","","","","","","7","P 63","P 6c","173","","","","- C37 H90 Ca Cl Cu6 N7 O50 -","- C36.9989 Ca Cl0.9999 Cu6 N6.9999 O47.0001 -","- C73.9978 Ca2 Cl1.9998 Cu12 N13.9998 O94.0002 -","2","0.333333","","Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio","Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes","Materials Horizons","2018","5","4","683","","10.1039/C8MH00302E","","","0.71073","MoKα","","0.1091","0.0612","","","0.1693","0.2015","","","","","","1.009","","","","has coordinates","230978","2020-10-21","18:00:00",""
"1549267","9.3241","0.0008","9.5329","0.0008","12.0593","0.0014","83.218","0.008","66.653","0.007","80.098","0.007","967.99","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.","π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene","IUCrJ","2018","5","3","","","10.1107/S2052252518001987","","","1.54184","CuKα","","0.122","0.0621","","","0.1407","0.1962","","","","","","1.047","","","","has coordinates","207406","2020-10-21","18:00:00",""
"1549268","9.2504","0.0005","9.4009","0.0008","11.9245","0.0006","84.147","0.006","67.347","0.005","81.113","0.006","944.47","0.11","119.9","0.1","119.9","0.1","","","","","","","","4","P -1","-P 1","2","","5,6,10b-triazaacephenanthrylene","","- C26 H15 N5 O -","- C26 H15 N5 O -","- C52 H30 N10 O2 -","2","1","","Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M.","π‒π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene","IUCrJ","2018","5","3","","","10.1107/S2052252518001987","","","1.54184","CuKα","","0.0916","0.0681","","","0.1844","0.217","","","","","","1.063","","","","has coordinates","207406","2020-10-21","18:00:00",""
"1549269","5.4738","0.0009","16.81","0.003","14.183","0.002","90","","95.627","0.007","90","","1298.8","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H33 Br N2 O3 -","- C28 H33 Br N2 O3 -","- C56 H66 Br2 N4 O6 -","2","1","","Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro","Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase.","Chemical science","2018","9","18","4348","4351","10.1039/c8sc00808f","","","0.71075","MoKα","","0.0891","0.0596","","","0.128","0.1407","","","","","","1.018","","","","has coordinates","228821","2020-10-21","18:00:00",""
"1549270","12.0961","0.0004","12.0961","0.0004","30.6664","0.0011","90","","90","","120","","3885.8","0.2","130.01","0.1","130.01","0.1","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C192 H198 N6 O18 -","6","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","0.71073","MoKα","","0.0879","0.0546","","","0.1232","0.1439","","","","","","1.033","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549271","10.2041","0.0002","12.0967","0.0002","10.8841","0.0002","90","","109.609","0.002","90","","1265.57","0.04","130.01","0.1","130.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O3 -","- C32 H33 N O3 -","- C64 H66 N2 O6 -","2","1","","Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations.","Chemical science","2018","9","20","4644","4649","10.1039/c8sc00031j","","x-ray","1.54184","CuKα","","0.0292","0.0289","","","0.0738","0.0742","","","","","","1.081","","","","has coordinates","228761","2020-10-21","18:00:00",""
"1549273","10.5101","0.0004","20.6596","0.0009","22.4637","0.0008","90","","90","","90","","4877.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Cl4 Cu2 O4 P4 -","- C45 H58 Cl4 Cu2 O4 P4 -","- C180 H232 Cl16 Cu8 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0343","0.0315","","","0.0802","0.0816","","","","","","1.037","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549274","13.69","0.0007","16.8264","0.0008","30.4315","0.0014","90","","90","","90","","7010","0.6","100","2","99.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C256 H368 Cl8 Cu8 N16 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0407","0.035","","","0.1064","0.1105","","","","","","1.06","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549275","28.898","0.003","11.2532","0.0009","21.7565","0.0019","90","","105.318","0.005","90","","6823.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","1.54178","CuKα","","0.1662","0.1155","","","0.2947","0.3337","","","","","","1.019","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549276","10.9369","0.0002","12.602","0.0002","15.7611","0.0004","90.384","0.001","97.992","0.001","111.759","0.002","1993.92","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 B F15 O2 P S -","- C36 H33 B F15 O2 P S -","- C72 H66 B2 F30 O4 P2 S2 -","2","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0598","0.0496","","","0.1112","0.1175","","","","","","1.033","","","","has coordinates","228833","2020-10-21","18:00:00",""
"1549277","20.8497","0.0008","16.0333","0.0006","23.8954","0.0009","90","","90","","90","","7988","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H37 B Cl4 F15 P -","- C38 H37 B Cl4 F15 P -","- C304 H296 B8 Cl32 F120 P8 -","8","1","","Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard","Solid state frustrated Lewis pair chemistry.","Chemical science","2018","9","21","4859","4865","10.1039/c8sc01089g","","","0.71073","MoKα","","0.0499","0.0405","","","0.0993","0.1073","","","","","","1.047","","","","has coordinates,has disorder","228833","2020-10-21","18:00:00",""
"1549278","9.5578","0.0012","20.653","0.002","8.4644","0.001","90","","108.514","0.006","90","","1584.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0953","0.0687","","","0.1679","0.1948","","","","","","1.049","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549279","7.6388","0.001","11.2206","0.0013","11.3511","0.0013","116.079","0.003","109.218","0.004","91.505","0.004","808.23","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C36 H40 Br2 N2 O2 -","2","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0258","0.0237","","","0.063","0.0643","","","","","","1.06","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549280","11.282","0.007","11.457","0.007","14.934","0.009","84.071","0.019","88.539","0.015","84.074","0.013","1910","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H19.5 Cl1.5 N O3 -","- C21.5 H19.5 Cl1.5 N O3 -","- C86 H78 Cl6 N4 O12 -","4","2","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0704","0.0451","","","0.0929","0.1031","","","","","","1.028","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549281","11.8837","0.001","10.0611","0.0007","19.6889","0.0016","90","","107.518","0.003","90","","2244.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung","Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups.","Chemical science","2018","9","19","4488","4492","10.1039/c8sc00986d","","","0.71073","MoKα","","0.0637","0.0513","","","0.1177","0.1254","","","","","","1.064","","","","has coordinates","228745","2020-10-21","18:00:00",""
"1549282","11.3925","0.0006","16.9868","0.0008","21.7195","0.0011","94.871","0.002","98.674","0.002","92.305","0.002","4134.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","CoTpAd,MeOTf","","- C43 H58 B Co F3 N6 O3 S -","- C43 H58 B Co F3 N6 O3 S -","- C172 H232 B4 Co4 F12 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","","0.71073","MoKα","","0.0646","0.0411","","","0.0979","0.1106","","","","","","1.03","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549283","10.4248","0.0007","12.9027","0.0009","15.4799","0.0011","101.302","0.002","105.089","0.002","113.446","0.002","1735.7","0.2","100","2","100","2","","","","","","","","9","P 1","P 1","1","","[CoTptBuPhIO][BArF4]","","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","- C63 H59 B2 Co F24 I N6 O3 S -","1","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.029","0.0256","","","0.0518","0.0528","","","","","","1.036","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549284","10.4361","0.001","20.2414","0.0018","15.3862","0.0014","90","","91.209","0.003","90","","3249.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","CoTptBuOTf","CoTptBuOTf","","- C26 H44 B Co F3 N6 O4 S -","- C26 H44 B Co F3 N6 O4 S -","- C104 H176 B4 Co4 F12 N24 O16 S4 -","4","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.0337","0.0277","","","0.0648","0.0673","","","","","","1.045","","","","has coordinates","228744","2020-10-21","18:00:00",""
"1549285","14.2995","0.0009","16.0821","0.0011","38.551","0.003","95.079","0.002","97.357","0.002","97.863","0.002","8658.9","1.1","100","","100","2","","","","","","","","10","P -1","-P 1","2","","[CoTpAd,MePhIO][BArF4]","","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C84.5 H84 B2 Cl Co F24 I N6 O3 S -","- C338 H336 B8 Cl4 Co4 F96 I4 N24 O12 S4 -","4","2","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1561","0.0887","","","0.161","0.1833","","","","","","1.068","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549286","13.018","0.003","17.299","0.004","19.933","0.004","69.338","0.004","77.588","0.005","78.279","0.005","4062","1.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","[CoTptBuPhIO2][BArF4]","","- C71 H77 B2 Co F24 I N6 O6 S -","- C71 H77 B2 Co F24 I N6 O6 S -","- C142 H154 B4 Co2 F48 I2 N12 O12 S2 -","2","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.41328","synchrotron","","0.067","0.0624","","","0.1946","0.199","","","","","","1.022","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549287","21.493","0.0017","22.3378","0.0019","38.715","0.003","90","","90","","90","","18587","3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C93 H100 B2 Co F27 N8 O4 S -","- C93 H100 B2 Co F27 N8 O4 S -","- C744 H800 B16 Co8 F216 N64 O32 S8 -","8","1","","Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S.","Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity.","Chemical science","2018","9","19","4493","4499","10.1039/c8sc01167b","","x-ray","0.71073","MoKα","","0.1568","0.1073","","","0.2609","0.2964","","","","","","1.023","","","","has coordinates,has disorder","228744","2020-10-21","18:00:00",""
"1549288","8.3475","0.00016","10.314","0.0002","21.0732","0.0004","90","","90","","90","","1814.32","0.06","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0326","0.0285","","","0.069","0.0713","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549289","18.1203","0.0005","6.99093","0.00014","19.2375","0.0005","90","","112.45","0.003","90","","2252.27","0.11","99.9","0.2","99.9","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.044","0.039","","","0.0954","0.0989","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549290","11.90924","0.00015","17.5617","0.0002","9.90343","0.00013","90","","101.393","0.0013","90","","2030.45","0.04","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 -","- C30 H24 -","- C120 H96 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0369","0.0352","","","0.0869","0.0883","","","","","","1.004","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549291","14.1772","0.0003","10.8633","0.0002","14.2137","0.0003","90","","95.1137","0.0016","90","","2180.36","0.08","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 -","- C30 H28 -","- C120 H112 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0482","0.0371","","","0.1066","0.1132","","","","","","1.002","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549292","17.4337","0.0014","6.9903","0.0004","17.935","0.0012","90","","103.64","0.007","90","","2124","0.3","99.99","0.1","99.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.1085","0.0615","","","0.1268","0.1463","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549293","18.2724","0.0017","19.5178","0.0015","18.301","0.002","90","","113.791","0.012","90","","5972.2","1.1","220.03","0.1","220.03","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 -","- C30 H22 -","- C360 H264 -","12","1.5","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.1205","0.0618","","","0.1076","0.1257","","","","","","1","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549294","7.396","0.0002","30.1314","0.0011","18.311","0.0007","90","","91.801","0.003","90","","4078.6","0.2","99.93","0.16","99.93","0.16","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 -","- C29 H24 -","- C232 H192 -","8","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","0.71073","MoKα","","0.0904","0.0571","","","0.1201","0.1345","","","","","","1.001","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549295","11.9827","0.0013","13.0612","0.0015","14.0684","0.0017","117.413","0.006","92.608","0.006","90.268","0.007","1951.7","0.4","296","2","296.15","","","","","","","","","2","P -1","-P 1","2","","","","- C28 H22 -","- C28 H22 -","- C112 H88 -","4","2","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","","0.71073","MoKα","","0.0577","0.0501","","","0.1357","0.1427","","","","","","1.031","","","","has coordinates,has disorder","228763","2020-10-21","18:00:00",""
"1549296","14.6013","0.001","16.3421","0.001","18.0401","0.0011","90","","93.323","0.003","90","","4297.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cp""2Th(IV)AlanateChloride","Cp""2Th(IV)AlanateChloride","","- C36 H72 Al Cl Si3 Th -","- C36 H72 Al Cl Si3 Th -","- C144 H288 Al4 Cl4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.029","0.0254","","","0.0561","0.0583","","","","","","1.142","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549297","10.4534","0.0005","12.854","0.0006","17.8476","0.0008","72.09","0.002","79.893","0.002","66.898","0.002","2094.82","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Cp""2U(III)Alanate","Cp""2U(III)Alanate","","- C36 H72 Al Si3 U -","- C36 H72 Al Si3 U -","- C72 H144 Al2 Si6 U2 -","2","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.71073","MoKα","","0.0204","0.0188","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549298","18.541","0.016","12.528","0.01","18.971","0.016","90","","105.644","0.009","90","","4243","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cp""2Th(IV)AlanateHydride","Cp""2Th(IV)AlanateHydride","","- C36 H73 Al Si3 Th -","- C36 H73 Al Si3 Th -","- C144 H292 Al4 Si12 Th4 -","4","1","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.0844","0.0477","","","0.084","0.0945","","","","","","1.034","","","","has coordinates","228824","2020-10-21","18:00:00",""
"1549299","12.933","0.008","12.816","0.008","13.179","0.008","90","","94.46","0.004","90","","2178","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cp""2Th(III)Alanate","Cp""2Th(III)Alanate","","- C36 H72 Al Si3 Th -","- C36 H72 Al Si2.9988 Th -","- C72 H144 Al2 Si5.9976 Th2 -","2","0.5","","Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John","Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.","Chemical science","2018","9","18","4317","4324","10.1039/c8sc01260a","","","0.7749","synchrotron","","0.028","0.024","","","0.0571","0.0588","","","","","","1.059","","","","has coordinates,has disorder","228824","2020-10-21","18:00:00",""
"1549300","14.01776","0.00012","11.68842","0.0001","18.61137","0.00019","90","","97.6225","0.0009","90","","3022.44","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 I2 N4 O2 -","- C62 H88 I2 N4 O2 -","- C124 H176 I4 N8 O4 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.026","0.022","","","0.0482","0.0499","","","","","","1.037","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549301","10.4185","0.0005","10.5244","0.0005","25.1966","0.0007","97.968","0.003","90.283","0.003","110.092","0.004","2565.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H80 N4 -","- C60 H80 N4 -","- C120 H160 N8 -","2","1","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0881","0.0716","","","0.2049","0.2208","","","","","","1.068","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549302","9.397","0.0003","11.5574","0.0005","15.1108","0.0006","70.87","0.004","84.424","0.003","76.36","0.003","1506.4","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C70 H92 N4 O -","- C66 H84 N4 -","- C66 H84 N4 -","1","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","1.54184","CuKα","","0.0563","0.0483","","","0.1243","0.1314","","","","","","1.038","","","","has coordinates,has disorder","228645","2020-10-21","18:00:00",""
"1549303","9.3343","0.0002","17.7848","0.0003","20.1423","0.0004","90","","95.674","0.002","90","","3327.41","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.21 H96.87 Br2 N4 O3.22 -","- C69.218 H96.872 Br2 N4 O3.218 -","- C138.436 H193.744 Br4 N8 O6.436 -","2","0.5","","Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S.","Kekulé diradicaloids derived from a classical N-heterocyclic carbene.","Chemical science","2018","9","22","4970","4976","10.1039/c8sc01209a","","x-ray","0.71073","MoKα","","0.0918","0.0733","","","0.1365","0.143","","","","","","1.173","","","","has coordinates","228645","2020-10-21","18:00:00",""
"1549304","7.463","0.0014","23.83","0.005","11.556","0.003","90","","101.301","0.018","90","","2015.3","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C112 H72 N8 O4 -","4","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.1707","0.0688","","","0.162","0.2031","","","","","","0.935","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549305","7.1516","0.0004","8.5555","0.0005","16.6112","0.001","100.052","0.005","95.016","0.005","90.498","0.005","996.63","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O -","- C28 H18 N2 O -","- C56 H36 N4 O2 -","2","1","","Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong","Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging.","Chemical science","2018","9","23","5165","5171","10.1039/c8sc00633d","","","0.71073","MoKα","","0.085","0.0549","","","0.1342","0.1659","","","","","","1.044","","","","has coordinates","228826","2020-10-21","18:00:00",""
"1549306","30.0936","0.0007","30.0936","0.0007","39.3554","0.0013","90","","90","","90","","35641.2","1.7","190","1","190","1","","","","","","","","6","P 4/n :2","-P 4a","85","","cluster-1","","- C366 H508 Cd24 N24 O178 Tb8 -","- C366 H508 Cd24 N24 O178 Tb8 -","- C732 H1016 Cd48 N48 O356 Tb16 -","2","0.25","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.1763","0.0639","","","0.185","0.2384","","","","","","0.918","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549307","54.777","0.011","61.944","0.012","79.935","0.016","90","","90","","90","","271228","9","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C386 H560 Cd24 N24 O190 Tb8 -","- C386 H560 Cd24 N24 O190 Tb8 -","- C6176 H8960 Cd384 N384 O3040 Tb128 -","16","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2569","0.1275","","","0.3051","0.3226","","","","","","1.039","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549308","54.621","0.011","61.479","0.012","100.21","0.02","90","","90","","90","","336510","12","190","1","190","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 -","- C6856.16 H10105.6 Cd384 N384 O2732.96 Tb128 -","4","0.125","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.2097","0.0959","","","0.2256","0.2463","","","","","","1.084","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549309","42.806","0.006","42.806","0.006","37.886","0.008","90","","90","","90","","69421","2","190","1","190","1","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C386 H500 Cd24 N24 O177 Tb8 -","- C386 H500 Cd24 N24 O177 Tb8 -","- C1544 H2000 Cd96 N96 O708 Tb32 -","4","0.5","","Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A.","A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging.","Chemical science","2018","9","20","4630","4637","10.1039/c8sc00650d","","","0.71073","MoKα","","0.161","0.0892","","","0.2151","0.2444","","","","","","1.107","","","","has coordinates","228762","2020-10-21","18:00:00",""
"1549310","11.5253","0.0008","16.1662","0.0011","16.7311","0.0012","81.943","0.001","88.463","0.001","69.635","0.001","2892.8","0.4","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H103 K Mn O14 -","- C50 H103 K Mn O14 -","- C100 H206 K2 Mn2 O28 -","2","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.0939","0.0489","","","0.0942","0.1088","","","","","","1.004","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549311","11.3584","0.0005","17.2479","0.0008","29.111","0.0013","90","","91.552","0.0009","90","","5701","0.4","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H103 K Mn O13 -","- C50 H103 K Mn O13 -","- C200 H412 K4 Mn4 O52 -","4","1","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.118","0.083","","","0.2151","0.2413","","","","","","1.043","","","","has coordinates","228741","2020-10-21","18:00:00",""
"1549312","18.3234","0.0012","15.9361","0.001","16.771","0.0011","90","","122.093","0.001","90","","4148.8","0.5","100","2","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H79 K Mn O5 -","- C38 H79 K Mn O5 -","- C152 H316 K4 Mn4 O20 -","4","0.5","","Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G.","Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.","Chemical science","2018","9","19","4524","4528","10.1039/c8sc01164h","","","0.71073","MoKα","","0.061","0.0517","","","0.1347","0.144","","","","","","1.031","","","","has coordinates,has disorder","228741","2020-10-21","18:00:00",""
"1549313","14.295","0.008","14.544","0.01","17.347","0.011","100.67","0.03","107.46","0.02","105.51","0.03","3174","4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-bis(phenylethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H46 B F24 Na O9 -","- C62 H46 B F24 Na O9 -","- C124 H92 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0734","0.0524","","","0.1185","0.1311","","","","","","1.029","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549314","19.142","0.004","24.665","0.005","26.029","0.006","90","","90","","90","","12289","5","150","2","149.96","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(1,9-diphenyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C58 H46 B F24 Na O9 -","- C58 H46 B F24 Na O9 -","- C464 H368 B8 F192 Na8 O72 -","8","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0734","0.0451","","","0.0953","0.1113","","","","","","1.017","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549315","20.158","0.005","17.085","0.005","20.698","0.006","90","","101.158","0.014","90","","6994","3","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(1,9-dibenzyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C62 H52 B F30 Na O9 -","- C62 H52 B F30 Na O9 -","- C248 H208 B4 F120 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.0998","0.0752","","","0.2112","0.2342","","","","","","1.036","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549316","13.9002","0.0003","14.0497","0.0003","21.1609","0.0005","101.417","0.0019","103.6","0.002","101.486","0.002","3804.07","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","1,9-bis((trimethylsilyl)ethynyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C65 H75 B F24 Na O9 Si2 -","- C65 H75 B F24 Na O9 Si2 -","- C130 H150 B2 F48 Na2 O18 Si4 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.1137","0.0704","","","0.1618","0.1836","","","","","","1.043","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549317","12.8768","0.0003","17.6754","0.0004","22.1097","0.0005","90","","90","","90","","5032.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Li O9 -","- C46 H38 B F24 Li O9 -","- C184 H152 B4 F96 Li4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.057","0.0411","","","0.085","0.0929","","","","","","1.038","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549318","16.654","0.008","18.497","0.008","20.536","0.009","70.108","0.016","83.341","0.017","89.951","0.013","5903","5","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","(1,9-diethynyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C102 H78 B2 Cl6 F48 Na2 O18 -","- C204 H156 B4 Cl12 F96 Na4 O36 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0783","0.0632","","","0.1442","0.1547","","","","","","1.053","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549319","13.0127","0.0004","19.6275","0.0007","25.4722","0.0008","90","","96.246","0.003","90","","6467.2","0.4","150","0.14","150","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,9-bis(chloromethyl)-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C50 H41.87 B Cl8 F24 Na O9 -","- C49.9999 H41.8749 B Cl8.0027 F24 Na O9 -","- C200 H167.5 B4 Cl32.0108 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","x-ray","0.71073","MoKα","","0.0975","0.0629","","","0.1451","0.1671","","","","","","1.015","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549320","12.434","0.004","12.984","0.005","20.025","0.007","93.798","0.013","107.54","0.012","104.457","0.008","2949.7","1.8","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","(1,9-dibutyl-2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C54 H54 B F24 Na O9 -","- C54 H54 B F24 Na O9 -","- C108 H108 B2 F48 Na2 O18 -","2","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.061","0.0492","","","0.1186","0.1261","","","","","","1.045","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549321","7.4655","0.0015","10.993","0.002","11.026","0.002","111.9","0.03","95.16","0.03","108.53","0.03","773.4","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1342","0.0799","","","0.1866","0.2218","","","","","","1.084","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549322","7.5046","0.0015","9.6822","0.0019","12.452","0.003","69.07","0.03","79.63","0.03","77.91","0.03","820.8","0.4","293","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H24 Cl4 N2 O8 -","- C36 H24 Cl4 N2 O8 -","- C36 H24 Cl4 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0585","0.0474","","","0.1195","0.127","","","","","","1.084","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549323","7.4131","0.0015","10.094","0.002","12.181","0.002","113.45","0.03","99.1","0.03","101","0.03","792.6","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0651","0.0428","","","0.1024","0.1193","","","","","","1.049","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549324","7.9462","0.0016","9.1625","0.0018","11.719","0.002","101.68","0.03","102.13","0.03","97.57","0.03","803.3","0.3","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1305","0.0892","","","0.2313","0.2644","","","","","","1.027","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549325","7.8733","0.0016","9.936","0.002","11.49","0.002","106.03","0.03","108.74","0.03","96.25","0.03","798.6","0.4","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","- C36 H26 Br2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.075","0.0499","","","0.1231","0.1392","","","","","","1.064","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549326","13.513","0.003","6.434","0.0013","18.566","0.004","90","","101.85","0.03","90","","1579.8","0.6","295","2","295","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C76 H52 N8 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0832","0.059","","","0.1425","0.1598","","","","","","1.082","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549327","8.9176","0.0018","9.7483","0.0019","10.094","0.002","64.4","0.03","89.6","0.03","88.69","0.03","791.1","0.3","295","2","295","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","1","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0834","0.0609","","","0.1447","0.1578","","","","","","1.095","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549328","8.8116","0.0018","11.811","0.002","15.299","0.005","90","","107.37","0.03","90","","1519.6","0.7","295","2","295","2","","","","","","","Synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 N4 O8 -","- C38 H26 N4 O8 -","- C76 H52 N8 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1098","0.071","","","0.1642","0.1863","","","","","","1.075","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549329","8.1413","0.0016","11.929","0.002","11.41","0.002","90","","107.94","0.03","90","","1054.2","0.4","295","2","295","2","","","","","","","Synthesis","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.2381","0.0984","","","0.1752","0.2226","","","","","","1.141","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549330","9.773","0.002","10.033","0.002","16.112","0.003","90","","97.83","0.03","90","","1565.1","0.5","295","2","295","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N2 O8 -","- C36 H26 Cl2 N2 O8 -","- C72 H52 Cl4 N4 O16 -","2","0.5","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.0709","0.0506","","","0.1201","0.1317","","","","","","1.081","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549331","9.6552","0.0019","12.927","0.003","13.746","0.005","90","","114.53","0.02","90","","1560.8","0.8","295","2","295","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N O4 -","- C18 H13 Cl N O4 -","- C72 H52 Cl4 N4 O16 -","4","1","","Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander","1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","5","670","680","10.1039/c7pp00448f","","","0.71073","MoKα","","0.1292","0.0722","","","0.1648","0.1969","","","","","","1.071","","","","has coordinates","230889","2020-10-21","18:00:00",""
"1549332","18.3209","0.0005","12.3996","0.0003","12.1068","0.0003","90","","98.766","0.001","90","","2718.2","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br2 Cl3 N O -","- C8 H12 Br2 Cl3 N O -","- C64 H96 Br16 Cl24 N8 O8 -","8","1","","Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A.","β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer.","Chemical science","2018","9","19","4500","4504","10.1039/c8sc01214h","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","0.0392","0.0404","","","","","","1.074","","","","has coordinates","228746","2020-10-21","18:00:00",""
"1549333","12.799","0.002","13.808","0.002","13.844","0.002","64.938","0.004","70.414","0.004","66.334","0.004","1989.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H57 B N2 O -","- C48 H57 B N2 O -","- C96 H114 B2 N4 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0884","0.0538","","","0.1229","0.1391","","","","","","1.025","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549334","9.499","0.004","22.755","0.007","19.041","0.006","90","","91.58","0.03","90","","4114","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H68 B2 N2 O -","- C43 H68 B2 N2 O -","- C172 H272 B8 N8 O4 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.0551","0.0407","","","0.1026","0.1128","","","","","","1.029","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549335","26.74","0.01","9.4128","0.0011","30.763","0.012","90","","100.73","0.03","90","","7608","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 B Cl N2 -","- C45 H52 B Cl N2 -","- C360 H416 B8 Cl8 N16 -","8","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1392","0.0666","","","0.1223","0.1474","","","","","","1.01","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549336","10.756","0.011","12.715","0.012","18.183","0.013","81.15","0.05","87.75","0.03","68.37","0.04","2284","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H72 B2 N4 O -","- C51.5 H72 B2 N4 O -","- C103 H144 B4 N8 O2 -","2","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1248","0.0616","","","0.1359","0.1617","","","","","","1.016","","","","has coordinates,has disorder","228630","2020-10-21","18:00:00",""
"1549337","12.303","0.005","12.532","0.003","24.192","0.017","90","","100.95","0.04","90","","3662","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 B N2 -","- C45 H51 B N2 -","- C180 H204 B4 N8 -","4","1","","Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger","Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds.","Chemical science","2018","9","24","5354","5359","10.1039/c8sc01249k","","","0.71073","MoKα","","0.1478","0.0647","","","0.1169","0.1431","","","","","","0.994","","","","has coordinates","228630","2020-10-21","18:00:00",""
"1549338","6.612","0.0006","7.8997","0.0007","15.4119","0.0013","90","","92.455","0.003","90","","804.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 O2 S -","- C19 H21 O2 S -","- C38 H42 O4 S2 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.084","0.0824","","","0.2256","0.2279","","","","","","1.044","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549339","12.5495","0.0006","6.3424","0.0003","13.2506","0.0006","90","","92.671","0.002","90","","1053.52","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 B O4 -","- C24 H27 B O4 -","- C48 H54 B2 O8 -","2","1","","Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke","Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds.","Chemical science","2018","9","22","4992","4998","10.1039/c8sc00827b","","","1.54178","CuKα","","0.0267","0.026","","","0.0676","0.0682","","","","","","1.057","","","","has coordinates","228649","2020-10-21","18:00:00",""
"1549340","13.1081","0.0013","11.1491","0.0013","7.1798","0.0011","90","","90","","90","","1049.3","0.2","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","","- C11 H6 F5 N O -","- C11 H6 F5 N O -","- C44 H24 F20 N4 O4 -","4","0.5","SJ4168","Zhao, Hui","3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole","IUCrData","2018","3","4","x180445","","10.1107/S2414314618004455","","","0.71073","MoKα","","0.1037","0.0786","","","0.2621","0.2924","","","","","","1.073","","","","has coordinates,has Fobs","207571","2020-10-21","18:00:00",""
"1549341","10.4026","0.0003","13.6115","0.0004","16.5769","0.0006","105.502","0.002","105.796","0.002","94.038","0.002","2150.3","0.12","100","","100","","","","","","","","","3","P -1","-P 1","2","","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","","- C56 H50 N2 -","- C56 H50 N2 -","- C112 H100 N4 -","2","1","SJ4173","Adas, Sonya K.; Peloquin, Andrew J.; Iacono, Scott T.; Balaich, Gary J.","9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate","IUCrData","2018","3","4","x180553","","10.1107/S2414314618005539","","","0.71073","MoKα","","0.0956","0.0529","","","0.1149","0.1403","","","","","","1.02","","","","has coordinates,has Fobs","207572","2020-10-21","18:00:00",""
"1549342","15.8299","0.0008","10.627","0.0004","9.2041","0.0003","90","","98.084","0.004","90","","1532.97","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C64 H76 N20 O4 -","4","1","SJ4170","Abad, Nadeem; Ramli, Youssef; Sebbar, Nada Kheira; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P.","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","4","x180482","","10.1107/S2414314618004820","","","1.54184","CuKα","","0.0715","0.053","","","0.1423","0.1566","","","","","","1.023","","","","has coordinates,has Fobs","207573","2020-10-21","18:00:00",""
"1549343","7.9315","0.0005","8.2047","0.0005","12.3474","0.0008","108.513","0.006","98.09","0.005","103.805","0.005","719.18","0.09","150","","150","","","","","","","","","2","P -1","-P 1","2","","1,2-Bis(3,5-dimethylphenyl)ethane","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","1","HB4226","Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten","1,2-Bis(3,5-dimethylphenyl)ethane","IUCrData","2018","3","4","x180636","","10.1107/S2414314618006363","","","0.71073","MoKα","","0.0777","0.0569","","","0.1463","0.1605","","","","","","1.048","","","","has coordinates,has Fobs","207574","2020-10-21","18:00:00",""
"1549344","7.4526","0.0013","5.8441","0.001","16.278","0.003","90","","101.808","0.002","90","","694","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","1,3-di(4-bromophenyl)propane","1,3-Bis(4-bromophenyl)propane","","- C15 H14 Br2 -","- C15 H14 Br2 -","- C30 H28 Br4 -","2","1","BV4016","Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T.","1,3-Bis(4-bromophenyl)propane","IUCrData","2018","3","4","x180563","","10.1107/S2414314618005631","","","0.71073","MoKα","","0.0246","0.0231","","","0.0544","0.0548","","","","","","1.376","","","","has coordinates,has Fobs","207575","2020-10-21","18:00:00",""
"1549345","7.2162","0.0015","8.0068","0.0014","11.65","0.003","80.123","0.017","84.57","0.018","88.084","0.015","660.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C30 H24 Cl2 N2 O4 -","2","1","LH5867","Zhong, Ling; Shi, Jianyou; Zhong, Lei; Wei, Xin; Xhang, Hongjia; Cheng, Liang; Bai, Lan","2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one","IUCrData","2018","3","4","x180587","","10.1107/S2414314618005874","","","0.71073","MoKα","","0.0653","0.0461","","","0.1042","0.1183","","","","","","1.031","","","","has coordinates,has Fobs","207576","2020-10-21","18:00:00",""
"1549346","8.8546","0.0002","8.9841","0.0002","9.5523","0.0002","98.481","0.001","96.412","0.001","106.772","0.001","710","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C32 H40 N4 O4 -","2","1","HB4224","El Foujji, Laila; Sebhaoui, Jihad; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T.","(3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","IUCrData","2018","3","4","x180515","","10.1107/S2414314618005151","","","1.54178","CuKα","","0.0404","0.0369","","","0.0888","0.0914","","","","","","1.045","","","","has coordinates,has Fobs","207577","2020-10-21","18:00:00",""
"1549347","9.6483","0.0002","10.606","0.0003","13.4332","0.0004","90","","104.034","0.001","90","","1333.59","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-1,1-diphenylbut-2-yne","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","BH4034","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","1-Methoxy-1,1-diphenylbut-2-yne","IUCrData","2018","3","4","x180415","","10.1107/S2414314618004157","","","0.71073","MoKα","","0.0451","0.0396","","","0.1056","0.1119","","","","","","1.061","","","","has coordinates,has Fobs","207578","2020-10-21","18:00:00",""
"1549348","18.2763","0.0006","7.5909","0.0002","20.0571","0.0006","90","","90","","90","","2782.59","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","","- C13 H15 N5 O2 S -","- C13 H15 N5 O2 S -","- C104 H120 N40 O16 S8 -","8","1","IS4027","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide","IUCrData","2018","3","4","x180600","","10.1107/S2414314618006004","","","0.71073","MoKα","","0.086","0.0417","","","0.0919","0.1104","","","","","","1.02","","","","has coordinates,has Fobs","207579","2020-10-21","18:00:00",""
"1549349","18.171","0.0005","4.9012","0.0001","16.9492","0.0005","90","","91.923","0.001","90","","1508.64","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","VM4035","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate","IUCrData","2018","3","4","x180519","","10.1107/S2414314618005199","","","1.54178","CuKα","","0.0649","0.0464","","","0.1099","0.1208","","","","","","1.015","","","","has coordinates,has Fobs","207580","2020-10-21","18:00:00",""
"1549350","11.0729","0.0012","12.6284","0.0013","19.6141","0.0019","90","","90","","90","","2742.7","0.5","180","2","180","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","","- C27 H37 Cl N2 O4 -","- C27 H37 Cl N2 O4 -","- C108 H148 Cl4 N8 O16 -","4","0.5","HB4223","Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S.","1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate","IUCrData","2018","3","4","x180516","","10.1107/S2414314618005163","","","0.71073","MoKα","","0.0844","0.051","","","0.129","0.1497","","","","","","1.043","","","","has coordinates,has Fobs","207581","2020-10-21","18:00:00",""
"1549351","4.8082","0.0018","8.26","0.003","14.413","0.006","84.072","0.007","81.473","0.005","85.14","0.005","561.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","ZQ4028","Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate","IUCrData","2018","3","4","x180596","","10.1107/S2414314618005965","","","0.71073","MoKα","","0.1185","0.0613","","","0.1842","0.2126","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","207582","2020-10-21","18:00:00",""
"1549352","12.1395","0.0006","13.8587","0.0007","17.366","0.0007","85.994","0.001","80.863","0.001","66.136","0.001","2637.9","0.2","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒triflate (1.2/1.8)","","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 -","- C95.6 H84 Au2 Co4 F25.2 Fe4 N12 O10.8 P2.4 S3.6 -","2","1","SJ4176","Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8)","IUCrData","2018","3","4","x180623","","10.1107/S2414314618006235","","","0.71073","MoKα","","0.0361","0.0319","","","0.0777","0.0798","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","207583","2020-10-21","18:00:00",""
"1549353","18.1419","0.0016","19.9967","0.0017","20.3048","0.0017","79.631","0.002","78.398","0.002","63.844","0.002","6441.7","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","","- C21.2 H22.4 Cl6.4 Co3 -","- C21.2 H22.4 Cl6.4 Co3 -","- C212 H224 Cl64 Co30 -","10","5","PJ4006","Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B.","Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate","IUCrData","2018","3","4","x180552","","10.1107/S2414314618005527","","","0.71073","MoKα","","0.0678","0.0429","","","0.0828","0.0912","","","","","","0.99","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1549354","12.7853","0.0003","7.0167","0.0002","15.4215","0.0004","90","","95.718","0.001","90","","1376.59","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-[(Oxiran-2-yl)methyl]-3-phenylquinoxalin-2(1<i>H</i>)-one","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","HB4230","Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one","IUCrData","2018","3","4","x180610","","10.1107/S2414314618006107","","","1.54178","CuKα","","0.0894","0.0623","","","0.1312","0.147","","","","","","1.041","","","","has coordinates,has Fobs","207585","2020-10-21","18:00:00",""
"1549355","9.4301","0.0005","9.4561","0.0005","24.8572","0.0012","90","","90","","90","","2216.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","","- C28 H20 Br2 O -","- C28 H20 Br2 O -","- C112 H80 Br8 O4 -","4","1","SJ4159","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","IUCrData","2018","3","4","x180416","","10.1107/S2414314618004169","","","0.71073","MoKα","","0.0267","0.0221","","","0.0458","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","207586","2020-10-21","18:00:00",""
"1549356","9.6505","0.0007","19.378","0.0013","15.1026","0.001","90","","97.849","0.001","90","","2797.8","0.3","100","0.2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(AsPh4)2ZrCl6","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","","- C56 H52 As2 Cl6 N4 Zr -","- C56 H52 As2 Cl6 N4 Zr -","- C112 H104 As4 Cl12 N8 Zr2 -","2","0.5","WM4070","Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic","Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate","IUCrData","2018","3","4","x180528","","10.1107/S241431461800528X","","","0.71073","MoKα","","0.0639","0.0369","","","0.0715","0.082","","","","","","1.004","","","","has coordinates,has Fobs","207587","2020-10-21","18:00:00",""
"1549357","9.1192","0.0004","10.6683","0.0005","17.8231","0.0005","93.18","0.003","92.823","0.003","95.767","0.004","1719.89","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H54 Ir N P2 -","- C37 H54 Ir N P2 -","- C74 H108 Ir2 N2 P4 -","2","1","","Kumar, Amit; Feller, Moran; Ben-David, Yehoshoa; Diskin-Posner, Yael; Milstein, David","Formal oxidative addition of a C-H bond by a 16e iridium(i) complex involves metal-ligand cooperation.","Chemical communications (Cambridge, England)","2018","54","42","5365","5368","10.1039/c8cc01885e","","","0.71073","MoKα","","0.0384","0.0306","","","0.0667","0.0692","","","","","","1.035","","","","has coordinates","228158","2020-10-21","18:00:00",""
"1549358","11.0702","0.0005","26.0585","0.0013","7.7302","0.0003","90","","90","","90","","2229.95","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Bis(4-methylbenzylammonium) tetrabromidozincate","","- C16 H24 Br4 N2 Zn -","- C16 H24 Br4 N2 Zn -","- C64 H96 Br16 N8 Zn4 -","4","1","WM4078","Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methylbenzylammonium) tetrabromidozincate","IUCrData","2018","3","5","x180648","","10.1107/S241431461800648X","","","0.71073","MoKα","","0.0807","0.074","","","0.1526","0.1557","","","","","","1.356","","","","has coordinates,has Fobs","207603","2020-10-21","18:00:00",""
"1549359","6.0999","0.0006","6.0999","0.0006","11.0509","0.0014","90","","90","","90","","411.19","0.08","100","2","100","","","","","","","","","3","I 4/m c m","-I 4 2c","140","Potassium Tetrafluorobromate","Potassium tetrafluoridobromate(III)","","- Br F4 K -","- Br F4 K -","- Br4 F16 K4 -","4","0.125","WM4077","Ivlev, Sergei I.; Kraus, Florian","Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data","IUCrData","2018","3","5","","","10.1107/S2414314618006466","","","0.71073","MoKα","","0.0171","0.0153","","","0.0314","0.0322","","","","","","1.244","","","","has coordinates,has Fobs","207604","2020-10-21","18:00:00",""
"1549360","12.30316","0.00018","5.69665","0.00008","7.04766","0.00011","90","","90","","90","","493.948","0.013","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaEr2ZnO5","","","- Ba Er2 O5 Zn -","- Ba Er2 O5 Zn -","- Ba4 Er8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207605","2020-10-21","18:00:00",""
"1549361","12.37206","0.00009","5.72443","0.00004","7.08598","0.00005","90","","90","","90","","501.85","0.006","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaDy2ZnO5","","","- Ba Dy2 O5 Zn -","- Ba Dy2 O5 Zn -","- Ba4 Dy8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207606","2020-10-21","18:00:00",""
"1549362","12.49739","0.00008","5.77627","0.00003","7.15961","0.00004","90","","90","","90","","516.84","0.005","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaGd2ZnO5","","","- Ba Gd2 O5 Zn -","- Ba Gd2 O5 Zn -","- Ba4 Gd8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207607","2020-10-21","18:00:00",""
"1549363","12.34773","0.00015","5.71449","0.00006","7.07449","0.00005","90","","90","","90","","499.183","0.009","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaHo2ZnO5","","","- Ba Ho2 O5 Zn -","- Ba Ho2 O5 Zn -","- Ba4 Ho8 O20 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207608","2020-10-21","18:00:00",""
"1549364","12.59242","0.00008","5.81502","0.00004","7.20736","0.00005","90","","90","","90","","527.76","0.006","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","BaSm2ZnO5","","","- Ba O5 Sm2 Zn -","- Ba O5 Sm2 Zn -","- Ba4 O20 Sm8 Zn4 -","4","0.5","","Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M.","Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors","Journal of the Ceramic Society of Japan","2018","126","","292","299","","","","","","","","","","","","","","","","","","","","","","has coordinates","207609","2020-10-21","18:00:00",""
"1549365","10.133798","0.000002","10.133798","0.000002","10.133798","0.000002","90","","90","","90","","1040.68","0.0004","","","1173","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Yb2Ti2O7","","","- O7 Ti2 Yb2 -","- O7 Ti2 Yb2 -","- O56 Ti16 Yb16 -","8","","","Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M.","Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7 : sample at 1173 K","Journal of the Ceramic Society of Japan","2018","126","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","207611","2020-10-21","18:00:00",""
"1549366","10.03441","0.000004","10.03441","0.000004","10.03441","0.000004","90","","90","","90","","1010.36","0.0007","","","293","","","","","","","","","3","F d -3 m","-F 4vw 2vw 3","227","Yb2Ti2O7","","","- O7 Ti2 Yb2 -","- O7 Ti2 Yb2 -","- O56 Ti16 Yb16 -","8","","","Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M.","Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7","Journal of the Ceramic Society of Japan","2018","126","","341","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","207612","2020-10-21","18:00:00",""
"1549367","14.361","0.003","9.517","0.0019","15.449","0.003","90","","99.257","0.003","90","","2084","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TAP)Co","","- C54 H42 Co N4 O4 -","- C54 H42 Co N4 O4 -","- C108 H84 Co2 N8 O8 -","2","0.5","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0493","0.0459","","","0.1042","0.1062","","","","","","1.128","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549368","21.495","0.002","13.598","0.003","16.434","0.004","90","","90","","90","","4803.5","1.6","173.15","","173.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","(TAP)Co-(1-(p-fluorophenyl)vinyl)","","- C62 H48 Co F N4 O4 -","- C62 H48 Co F N4 O4 -","- C248 H192 Co4 F4 N16 O16 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0626","0.0581","","","0.161","0.1663","","","","","","1.093","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549369","17.25","0.005","13.082","0.003","32.044","0.009","90","","96.735","0.004","90","","7181","3","173.15","","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(TPFC)Sn-Co(TAP)","","- C85 H44 Co F15 N8 O4 Sn -","- C85 H44 Co F15 N8 O4 Sn -","- C340 H176 Co4 F60 N32 O16 Sn4 -","4","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1103","0.094","","","0.202","0.2127","","","","","","1.173","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549370","12.8962","0.0018","15.333","0.002","21.248","0.003","101.533","0.002","90.07","0.002","106.286","0.002","3944.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(TPFC)Sn-O-Sn(TPFC)","","- C74 H16 F30 N8 O Sn2 -","- C74 H16 F30 N8 O Sn2 -","- C148 H32 F60 N16 O2 Sn4 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.0606","0.0557","","","0.1298","0.1333","","","","","","1.089","","","","has coordinates,has disorder","228646","2020-10-21","18:00:00",""
"1549371","15.523","0.004","16.499","0.002","20.024","0.002","93.436","0.01","111.524","0.01","102.953","0.011","4591.9","1.5","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","(TPFC)Sn-(p-MeO-phenylacetylene)-Co(TAP)","","- C94 H52 Co F15 N8 O5 Sn -","- C94 H52 Co F15 N8 O5 Sn -","- C188 H104 Co2 F30 N16 O10 Sn2 -","2","1","","Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng","Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.","Chemical science","2018","9","22","4999","5007","10.1039/c8sc01269e","","","0.71073","MoKα","","0.1385","0.1133","","","0.2258","0.2423","","","","","","1.173","","","","has coordinates","228646","2020-10-21","18:00:00",""
"1549372","10.77117","0.0005","11.01902","0.00013","11.43023","0.00026","90","","117.742","0.00023","90","","1200.68","0.06","250","","250","","","","","","","","","5","P 1 21 1","P 2yb","4","ROY R05","2-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","2","","Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai; Xu, Wenqian; Dooryhee, Eric; Nichols, Shane M.; Ward, Michael D.; Kahr, Bart; Zhu, Qiang","ROY revisited, again: the eighth solved structure.","Faraday discussions","2018","211","0","477","491","10.1039/c8fd00039e","powder diffraction","x-ray","0.18342","synchrotron","","","","","","","","","1.783","0.208","","","","","","","has coordinates","287933","2023-12-01","14:27:52",""
"1549373","7.0231","0.0008","17.534","0.002","14.6817","0.0019","90","","90","","90","","1807.9","0.4","152","2","152","2","","","","","","","Pyxidicoccus fallax","4","P c a 21","P 2c -2ac","29","","Pyxidicycline A","","- C22 H17 N O9 -","- C22 H17 N O9 -","- C88 H68 N4 O36 -","4","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.0653","0.0452","","","0.1135","0.1236","","","","","","1.054","","","","has coordinates","228835","2020-10-21","18:00:00",""
"1549374","7.0902","0.0012","7.9097","0.0015","17.33","0.003","89.561","0.013","84.797","0.011","74.655","0.012","933.2","0.3","172","2","172","2","","","","","","","Pyxidicoccus fallax","4","P -1","-P 1","2","","Pyxidicycline B","","- C22 H17 N O9 -","- C22 H15 N O9 -","- C44 H30 N2 O18 -","2","1","","Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf","Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria.","Chemical science","2018","9","21","4898","4908","10.1039/c8sc01325j","","","0.71073","MoKα","","0.2936","0.1357","","","0.3337","0.3784","","","","","","1.614","","","","has coordinates,has disorder","228835","2020-10-21","18:00:00",""
"1549375","14.6864","0.0004","15.1284","0.0005","29.6362","0.0007","90","","99.037","0.001","90","","6502.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H33 Cl Ir N6 S2 -","- C54 H33 Cl Ir N6 S2 -","- C216 H132 Cl4 Ir4 N24 S8 -","4","1","","Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui","Oncosis-inducing cyclometalated iridium(iii) complexes.","Chemical science","2018","9","23","5183","5190","10.1039/c8sc01142g","","","0.71073","MoKα","","0.0653","0.0533","","","0.1492","0.1663","","","","","","1.055","","","","has coordinates,has disorder","228828","2020-10-21","18:00:00",""
"1549376","16.963","0.003","16.963","0.003","11.4256","0.0018","90","","90","","120","","2847.2","0.8","93","","93","","","","","","","","","7","P 61","P 61","169","","","","- C19 H13 Br F3 N O3 S -","- C19 H11 Br F3 N O3 S -","- C114 H66 Br6 F18 N6 O18 S6 -","6","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","0.71075","MoKα","","0.0435","0.0382","","","0.097","0.0988","","","","","","1.022","","","","has coordinates","228831","2020-10-21","18:00:00",""
"1549377","27.4219","0.0002","27.4219","0.0002","15.9884","0.0002","90","","90","","90","","12022.7","0.19","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C27 H42 Cl4 N2 Pd -","- C27 H40 Cl4 N2 Pd -","- C432 H640 Cl64 N32 Pd16 -","16","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","","1.54178","CuKα","","0.0558","0.0543","","","0.1536","0.1554","","","","","","1.122","","","","has coordinates,has disorder","230952","2020-10-21","18:00:00",""
"1549378","13.5058","0.0003","13.9638","0.0003","21.6147","0.0008","90","","90","","90","","4076.4","0.2","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Cl2 N2 Pd -","- C20 H28 Cl2 N2 Pd -","- C160 H224 Cl16 N16 Pd8 -","8","1","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0407","0.0286","","","0.0584","0.0626","","","","","","1.03","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549379","11.5645","0.0001","21.3415","0.0003","13.8095","0.0002","90","","90","","90","","3408.24","0.07","150","0.1","150","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H46 Cl2 N2 O Pd -","- C36 H46 Cl2 N2 O Pd -","- C144 H184 Cl8 N8 O4 Pd4 -","4","0.5","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0311","0.0256","","","0.0612","0.0638","","","","","","1.058","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549380","14.0031","0.0004","17.0473","0.0004","21.8047","0.0007","90","","102.678","0.003","90","","5078.2","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 N2 O Pd -","- C28 H30 Cl2 N2 O Pd -","- C224 H240 Cl16 N16 O8 Pd8 -","8","2","","Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations","Polymer Chemistry","2018","9","22","3088","","10.1039/C8PY00395E","","x-ray","0.71073","MoKα","","0.0432","0.0326","","","0.0705","0.0769","","","","","","1.044","","","","has coordinates","230952","2020-10-21","18:00:00",""
"1549381","12.8698","0.0006","8.1365","0.0003","13.0309","0.0006","90","","107.275","0.005","90","","1302.98","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","","- C15 H11 N3 O4 -","- C15 H11 N3 O4 -","- C60 H44 N12 O16 -","4","1","ZP4015","AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A.","5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one","IUCrData","2018","3","5","x180664","","10.1107/S2414314618006648","","","0.71073","MoKα","","0.0507","0.0423","","","0.1104","0.1178","","","","","","1.037","","","","has coordinates,has Fobs","207665","2020-10-21","18:00:00",""
"1549382","11.6959","0.0003","16.06","0.0004","11.9522","0.0003","90","","91.981","0.001","90","","2243.71","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S Si -","- C21 H29 N O3 S Si -","- C84 H116 N4 O12 S4 Si4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0438","0.0428","","","0.1095","0.1106","","","","","","1.106","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549383","10.5498","0.0005","19.255","0.0009","10.4914","0.0005","90","","105.495","0.002","90","","2053.72","0.17","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3-Bpin-5-F-2-Me-1-SO2Ph indoline","","- C21 H25 B F N O4 S -","- C21 H25 B F N O4 S -","- C84 H100 B4 F4 N4 O16 S4 -","4","1","","Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges","Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.","Chemical science","2018","9","22","5057","5063","10.1039/c8sc01093e","","x-ray","1.34139","GaKα","","0.0494","0.0435","","","0.1123","0.1172","","","","","","1.07","","","","has coordinates","228651","2020-10-21","18:00:00",""
"1549384","11.4322","0.0011","12.2773","0.0011","12.5149","0.0012","103.535","0.002","107.265","0.002","110.653","0.002","1452.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","- C48 H78 Co Li2 Ni O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","x-ray","0.41328","Synchrotron","","0.0391","0.0337","","","0.0881","0.0905","","","","","","1.078","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549385","11.408","0.002","12.249","0.002","12.519","0.002","103.477","0.0018","107.088","0.0017","110.797","0.0017","1447.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","- C48 H78 Li2 Ni2 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0303","0.028","","","0.0691","0.0714","","","","","","1.044","","","","has coordinates","228834","2020-10-21","18:00:00",""
"1549386","11.5228","0.0008","12.2661","0.0008","12.5357","0.0008","103.595","0.002","106.954","0.002","111.073","0.002","1462.29","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Li2 Mg1.07 Ni0.93 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","- C48 H78 Li2 Mg1.0656 Ni0.9344 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0406","0.0318","","","0.0654","0.0688","","","","","","1.094","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549387","11.5502","0.0008","12.2971","0.0009","12.5192","0.0009","103.554","0.002","107.079","0.002","110.959","0.002","1468.06","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H78 Co1.06 Li2 Mg0.94 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","- C48 H78 Co1.0646 Li2 Mg0.9354 O18 -","1","0.5","","Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.","A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.","Chemical science","2018","9","21","4736","4745","10.1039/c8sc00917a","","","0.71073","MoKα","","0.0516","0.0383","","","0.0749","0.081","","","","","","1.093","","","","has coordinates,has disorder","228834","2020-10-21","18:00:00",""
"1549388","14.5653","0.0002","25.3532","0.0005","31.1528","0.0004","90","","91.249","0.001","90","","11501.3","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2","2","","- C113 H184 O6 Si8 Ti4 -","- C113 H184 O6 Si8 Ti4 -","- C452 H736 O24 Si32 Ti16 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","1.54184","CuKα","","0.1441","0.1285","","","0.3566","0.3833","","","","","","0.942","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549389","12.9536","0.0005","22.7968","0.0009","18.9201","0.0008","90","","92.537","0.004","90","","5581.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","3","","- C55 H92 O2 Si4 Ti2 -","- C54.968 H91.904 O2 Si4 Ti2 -","- C219.872 H367.616 O8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham","Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.","Chemical science","2018","9","22","5008","5014","10.1039/c8sc01127c","","","0.71075","MoKα","","0.1407","0.0836","","","0.214","0.2501","","","","","","1.033","","","","has coordinates,has disorder","228641","2020-10-21","18:00:00",""
"1549390","27.4634","0.0006","27.4634","0.0006","46.6552","0.0016","90","","90","","120","","30474.7","1.4","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C159 H108 Ag29 N3 O10 P4 S24 -","- C159 H108 Ag29 N3 O10 P4 S24 -","- C954 H648 Ag174 N18 O60 P24 S144 -","6","0.333333","","Nag, Abhijit; Chakraborty, Papri; Bodiuzzaman, Mohammad; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil","Polymorphism of Ag<sub>29</sub>(BDT)<sub>12</sub>(TPP)<sub>4</sub><sup>3-</sup> cluster: interactions of secondary ligands and their effect on solid state luminescence.","Nanoscale","2018","10","21","9851","9855","10.1039/c8nr02629g","","","1.54178","CuKα","","0.1609","0.0768","","","0.152","0.1907","","","","","","1.059","","","","has coordinates","230158","2020-10-21","18:00:00",""
"1549391","10.683","0.002","11.322","0.002","11.736","0.002","67.493","0.009","86.541","0.01","76.417","0.01","1274","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","- C41.5 H56 Cl4 O12.5 U2 -","1","0.5","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0593","0.0613","","","","","","1.055","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549392","19.6962","0.0007","19.6962","0.0007","29.9535","0.0013","90","","90","","90","","11620.2","0.8","299.43","","299.43","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H148 Cl42 O76 U38 -","- C60 H148 Cl42 O76 U38 -","- C120 H296 Cl84 O152 U76 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry","Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.","Chemical science","2018","9","22","5021","5032","10.1039/c8sc00752g","","","0.71073","MoKα","","0.1188","0.0409","","","0.0749","0.0942","","","","","","1.017","","","","has coordinates,has disorder","228644","2020-10-21","18:00:00",""
"1549393","8.6901","0.0005","10.1547","0.0005","12.6282","0.0007","71.352","0.004","84.442","0.004","81.817","0.004","1043.56","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1,1-Bis(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O2 P2 -","- C24 H22 N2 O2 P2 -","- C48 H44 N4 O4 P4 -","2","1","RZ4023","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1,1-Bis(diphenylphosphoryl)hydrazine","IUCrData","2018","3","5","x180679","","10.1107/S241431461800679X","","","0.71073","MoKα","","0.0359","0.0291","","","0.0786","0.0807","","","","","","1.053","","","","has coordinates,has Fobs","207718","2020-10-21","18:00:00",""
"1549394","28.061","0.0008","4.765","0.0001","15.3667","0.0004","90","","91.503","0.001","90","","2053.98","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","","- C22 H32 N2 O3 -","- C22 H32 N2 O3 -","- C88 H128 N8 O12 -","4","1","SJ4177","Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate","IUCrData","2018","3","5","x180680","","10.1107/S2414314618006806","","","1.54178","CuKα","","0.0579","0.0419","","","0.0938","0.1023","","","","","","1.038","","","","has coordinates,has Fobs","207719","2020-10-21","18:00:00",""
"1549395","10.5005","0.001","10.5156","0.001","11.1246","0.001","83.611","0.002","66.854","0.002","74.875","0.002","1090.31","0.18","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","1","1","","Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming","A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties","New Journal of Chemistry","2018","42","13","10906","","10.1039/C8NJ01659C","","","0.71073","MoKα","","0.0282","0.0279","","","0.0761","0.0835","","","","","","1.021","","","","has coordinates","230393","2020-10-21","18:00:00",""
"1549396","10.4994","0.001","10.5083","0.001","11.1201","0.001","83.608","0.002","66.819","0.001","74.881","0.002","1088.75","0.18","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","- C47 H36 Dy F9 N2 O6 -","1","1","","Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming","A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties","New Journal of Chemistry","2018","42","13","10906","","10.1039/C8NJ01659C","","","0.71073","MoKα","","0.0293","0.0275","","","0.0756","0.0966","","","","","","1.045","","","","has coordinates","230393","2020-10-21","18:00:00",""
"1549397","24.712","0.007","8.4842","0.0015","24.907","0.006","90","","101.616","0.01","90","","5115","2","299","2","299","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(hex-5-ynyl)-3-(3-(2-(trimethylsilyl)ethynyl)phenyl)thiourea","","- C24 H36 N2 S Si -","- C24 H36 N2 S Si -","- C192 H288 N16 S8 Si8 -","8","1","","Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M.","The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides","Polymer Chemistry","2018","9","20","2759","","10.1039/C8PY00282G","","","1.54184","CuKα","","0.0613","0.047","","","0.1331","0.1468","","","","","","1.054","","","","has coordinates","230964","2020-10-21","18:00:00",""
"1549398","23.057","0.002","13.6098","0.0012","23.378","0.002","90","","110.977","0.002","90","","6849.8","1","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H84 Co I3 N6 O6 S6 -","- C54 H84 Co I3 N6 O6 S6 -","- C216 H336 Co4 I12 N24 O24 S24 -","4","2","","Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.","The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.","Chemical science","2018","9","22","5087","5099","10.1039/c8sc01510d","","x-ray","0.71073","MoKα","","0.0985","0.0813","","","0.1382","0.1497","","","","","","1.221","","","","has coordinates,has disorder","228648","2020-10-21","18:00:00",""
"1549399","13.2526","0.0017","8.5485","0.0011","23.163","0.003","90","","97.46","0.003","90","","2601.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O3 S -","- C30 H30 N2 O3 S -","- C120 H120 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0692","0.0488","","","0.1283","0.1424","","","","","","1.028","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549400","9.5994","0.0004","14.7775","0.0006","19.9833","0.001","90","","90","","90","","2834.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O3 S -","- C33 H32 N2 O3 S -","- C132 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0781","0.0498","","","0.1071","0.1246","","","","","","1.045","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549401","14.6758","0.0017","8.1119","0.001","22.258","0.003","90","","97.042","0.003","90","","2629.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0735","0.0517","","","0.1274","0.1402","","","","","","1.029","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549402","34.531","0.003","7.371","0.0007","11.7082","0.0009","90","","100.238","0.009","90","","2932.6","0.4","100","1","100","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","2","","Louis, Marine; Guillot, Régis; Métivier, Rémi; Allain, Clémence","β-Diketone derivatives: influence of the chelating group on the photophysical and mechanofluorochromic properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","6","822","828","10.1039/c8pp00070k","","","0.71073","MoKα","","0.0755","0.0619","","","0.1463","0.1523","","","","","","1.071","","","","has coordinates","230895","2020-10-21","18:00:00",""
"1549403","29.697","0.004","33.356","0.005","5.4539","0.0008","90","","90","","90","","5402.5","1.3","170","","170","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C32 H32 N6 O5 -","- C32 H32 N6 O5 -","- C256 H256 N48 O40 -","8","0.5","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.0556","0.0401","","","0.0857","0.092","","","","","","1.006","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549404","12.646","0.002","8.4619","0.0016","17.452","0.003","90","","90.459","0.005","90","","1867.5","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C88 H80 N16 O8 -","4","2","","Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan","Copper mediated C-H amination with oximes: en route to primary anilines.","Chemical science","2018","9","23","5160","5164","10.1039/c8sc01256c","","","0.71073","MoKα","","0.1385","0.0607","","","0.1164","0.1516","","","","","","0.966","","","","has coordinates","228829","2020-10-21","18:00:00",""
"1549405","7.731","0.0003","8.2071","0.0003","11.5044","0.0004","90","","107.779","0.0011","90","","695.08","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C34 H34 N2 O6 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0267","0.0266","","","0.0691","0.0692","","","","","","1.053","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549406","14.4518","0.0005","15.8358","0.0005","14.1208","0.0004","90","","93.946","0.001","90","","3223.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 N3 O4 -","- C34 H51 N3 O4 -","- C136 H204 N12 O16 -","4","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0343","0.0334","","","0.0835","0.0843","","","","","","1.047","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549407","5.0463","0.0003","10.357","0.0005","13.2269","0.0007","90","","92.007","0.002","90","","690.87","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C32 H28 Cl2 N2 O4 -","2","1","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0231","0.023","","","0.0634","0.0635","","","","","","1.065","","","","has coordinates","228653","2020-10-21","18:00:00",""
"1549408","12.7206","0.0003","36.0918","0.0007","22.8341","0.0004","90","","90","","90","","10483.3","0.4","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C112 H88 Co N8 O8 -","- C112 H88 Co N8 O8 -","- C448 H352 Co4 N32 O32 -","4","0.5","","Wen, Xin; Wang, Yong; Zhang, X. Peter","Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.","Chemical science","2018","9","22","5082","5086","10.1039/c8sc01476k","","","1.54178","CuKα","","0.0432","0.0359","","","0.0826","0.0854","","","","","","0.969","","","","has coordinates,has disorder","228653","2020-10-21","18:00:00",""
"1549409","14.8145","0.0002","12.6491","0.0002","11.5796","0.0002","90","","106.709","","90","","2078.28","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0284","","","","0.0739","","","","","","1.061","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549410","12.592","0.0011","7.7321","0.0007","21.336","0.003","90","","96.291","0.007","90","","2064.8","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 F4 N4 S -","- C20 H14 Br2 F4 N4 S -","- C80 H56 Br8 F16 N16 S4 -","4","1","","Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.","Chemical science","2018","9","22","4931","4936","10.1039/c8sc01216d","","","0.71075","MoKα","","","0.0302","","","","0.0772","","","","","","0.979","","","","has coordinates","228652","2020-10-21","18:00:00",""
"1549411","7.6263","0.0006","16.9562","0.0013","10.843","0.0009","90","","92.648","0.004","90","","1400.64","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C","","","- C13 H12 Cl F6 N O -","- C13 H12 Cl F6 N O -","- C52 H48 Cl4 F24 N4 O4 -","4","1","","Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.","Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.","Chemical science","2018","9","24","5360","5365","10.1039/c8sc01756e","","","0.71073","MoKα","","0.0385","0.0312","","","0.084","0.0887","","","","","","1.028","","","","has coordinates","228633","2020-10-21","18:00:00",""
"1549412","6.9048","0.0009","7.0555","0.0009","11.8449","0.0015","105.071","0.002","93.073","0.002","109.955","0.002","517.26","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]","","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","- C18 H16 Cu Na2 O16 -","1","0.5","LH4034","Yang, Annabeth P.; LaDuca, Robert L.","Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net","IUCrData","2018","3","5","x180676","","10.1107/S2414314618006764","","","0.71073","MoKα","","0.0493","0.0395","","","0.0929","0.099","","","","","","1.073","","","","has coordinates,has Fobs","207789","2020-10-21","18:00:00",""
"1549413","8.16","0.003","14.876","0.005","12.549","0.005","90","","93.192","0.009","90","","1520.9","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium hydrogen phthalate","Diisopropylammonium hydrogen phthalate","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","LH5874","Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K.","Diisopropylammonium hydrogen phthalate","IUCrData","2018","3","5","x180704","","10.1107/S2414314618007046","","","0.71073","MoKa","","0.0702","0.0572","","","0.1492","0.164","","","","","","1.069","","","","has coordinates,has Fobs","207790","2020-10-21","18:00:00",""
"1549414","9.1247","0.0008","11.1474","0.0011","11.9275","0.0012","90","","90.442","0.003","90","","1213.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H12 B Br F3 N -","- C11 H12 B Br F3 N -","- C44 H48 B4 Br4 F12 N4 -","4","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0384","0.0389","","","","","","0.908","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549415","6.1042","0.0002","37.0556","0.001","7.9394","0.0002","90","","93.529","0.003","90","","1792.45","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B F4 N -","- C8 H8 B F4 N -","- C64 H64 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0692","0.0653","","","0.1939","0.198","","","","","","1.094","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549416","8.4831","0.0001","8.7906","0.0001","17.8568","0.0002","90","","90","","90","","1331.61","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 B F4 N -","- C13 H18 B F4 N -","- C52 H72 B4 F16 N4 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0813","0.082","","","","","","1.1","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549417","9.1554","0.0001","14.8171","0.0001","24.131","0.0002","90","","93.931","0.001","90","","3265.82","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H39 B2 F8 N2 O0.5 -","- C35.5 H39 B2 F8 N2 O0.5 -","- C142 H156 B8 F32 N8 O2 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0537","0.0453","","","0.1196","0.125","","","","","","1.036","","","","has coordinates,has disorder","228825","2020-10-21","18:00:00",""
"1549418","10.8597","0.0001","11.1368","0.0001","19.408","0.0002","90","","90","","90","","2347.25","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F4 N -","- C11 H14 B F4 N -","- C88 H112 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0318","0.0304","","","0.0743","0.0753","","","","","","1.042","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549419","12.987","0.01","23.653","0.017","7.519","0.005","90","","90","","90","","2310","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","Na2Ga2GeSSe5","Na2Ga2GeSSe5","","- Ga2 Ge Na2 S Se5 -","- Ga2 Ge Na2 S Se5 -","- Ga16 Ge8 Na16 S8 Se40 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0389","0.0376","","","0.0995","0.1013","","","","","","1.056","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549420","12.985","0.004","23.88","0.008","7.585","0.003","90","","90","","90","","2352","1.4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2GeSe6","","- Ga2 Ge Na2 Se6 -","- Ga2 Ge Na2 Se6 -","- Ga16 Ge8 Na16 Se48 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0318","0.0272","","","0.0567","0.0576","","","","","","1.134","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549421","13.329","0.003","24.291","0.007","7.621","0.002","90","","90","","90","","2467.5","1.1","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Na2Ga2SnSe6","","- Ga2 Na2 Se6 Sn -","- Ga2 Na2 Se6 Sn -","- Ga16 Na16 Se48 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0321","0.0312","","","0.0842","0.0844","","","","","","1.695","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549422","13.264","0.004","23.936","0.007","7.514","0.002","90","","90","","90","","2385.6","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Na2Ga2SnSSe5","","- Ga2 Na2 S Se5 Sn -","- Ga2 Na2 S Se5 Sn -","- Ga16 Na16 S8 Se40 Sn8 -","8","0.5","","Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.","Chemical science","2018","9","26","5700","5708","10.1039/c8sc01210e","","","0.71073","MoKα","","0.0352","0.0338","","","0.0887","0.0892","","","","","","1.504","","","","has coordinates","228706","2020-10-21","18:00:00",""
"1549423","20.8091","0.001","20.8091","0.001","6.5883","0.0004","90","","90","","120","","2470.6","0.2","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0824","0.0726","","","0.1768","0.1849","","","","","","1.039","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549424","20.7637","0.0003","20.7637","0.0003","6.5915","0.0001","90","","90","","120","","2461.07","0.06","130.01","0.1","130.01","0.1","","","","","","","","5","P 63","P 6c","173","","","","- C18 H17 N Na O5 -","- C18 H16 N Na O5 -","- C108 H96 N6 Na6 O30 -","6","1","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","x-ray","1.54184","CuKα","","0.0694","0.0631","","","0.1502","0.1538","","","","","","1.117","","","","has coordinates,has disorder","228827","2020-10-21","18:00:00",""
"1549425","8.8976","0.0003","9.7399","0.0003","15.4155","0.0005","93.972","0.001","99.602","0.001","107.215","0.001","1248.19","0.07","100","2","99.99","","","","","","","","","4","P 1","P 1","1","","","","- C26 H40 N2 O6 -","- C26 H40 N2 O6 -","- C52 H80 N4 O12 -","2","2","","Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.","Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).","Chemical science","2018","9","23","5233","5241","10.1039/c8sc01798k","","","1.54178","CuKα","","0.0342","0.034","","","0.0939","0.0941","","","","","","1.03","","","","has coordinates","228827","2020-10-21","18:00:00",""
"1549426","10.7657","0.0007","11.9402","0.0007","12.6973","0.0007","65.614","0.003","84.355","0.003","71.603","0.004","1409.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cl O -","- C40 H27 Cl O -","- C80 H54 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54178","CuKα","","0.1307","0.1049","","","0.3586","0.3667","","","","","","1.435","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549427","10.7377","0.0004","7.2096","0.0003","30.6438","0.001","90","","97.73","0.003","90","","2350.72","0.15","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O -","- C36 H24 O -","- C144 H96 O4 -","4","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.0739","0.0475","","","0.114","0.1294","","","","","","1.012","","","","has coordinates","228647","2020-10-21","18:00:00",""
"1549428","7.3515","0.0007","11.2839","0.0011","19.4024","0.0019","74.348","0.009","87.386","0.008","73.241","0.008","1483.1","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H28 Cl O -","- C42 H28 Cl O -","- C84 H56 Cl2 O2 -","2","1","","Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan","Curved π-conjugated corannulene dimer diradicaloids.","Chemical science","2018","9","22","5100","5105","10.1039/c8sc01388h","","","1.54184","CuKα","","0.1661","0.0854","","","0.212","0.273","","","","","","1.002","","","","has coordinates,has disorder","228647","2020-10-21","18:00:00",""
"1549429","16.4411","0.0018","8.849","0.001","18.948","0.002","90","","115.172","0.002","90","","2494.9","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 Br2 Cu N4 O4 -","- C58 H48 Br2 Cu N4 O4 -","- C116 H96 Br4 Cu2 N8 O8 -","2","0.5","","Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M.","Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP","Polymer Chemistry","2018","9","24","3359","","10.1039/C8PY00670A","","x-ray","0.71073","MoKα","","0.0811","0.0585","","","0.1164","0.1264","","","","","","1.107","","","","has coordinates,has disorder","230950","2020-10-21","18:00:00",""
"1549430","7.628","0.0005","10.6903","0.0008","12.8641","0.0007","83.21","0.006","88.683","0.005","73.76","0.007","1000.03","0.12","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 B11 Br6 Si -","- C4 H15 B11 Br6 Si -","- C8 H30 B22 Br12 Si2 -","2","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.1348","0.1","","","0.2298","0.2554","","","","","","1.122","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549431","18.5845","0.0004","14.7047","0.0002","19.673","0.0003","90","","90","","90","","5376.23","0.16","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 B11 Br6 Si -","- C14 H19 B11 Br6 Si -","- C112 H152 B88 Br48 Si8 -","8","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0519","0.0368","","","0.0808","0.0881","","","","","","1.084","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549432","10.26054","0.00014","38.4104","0.0006","8.64061","0.00013","90","","100.552","0.0014","90","","3347.78","0.09","150","2","150","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H29 B11 Br6 Cl2 Si -","- C19 H29 B11 Br6 Cl2 Si -","- C76 H116 B44 Br24 Cl8 Si4 -","4","1","","Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin","Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.","Chemical science","2018","9","25","5600","5607","10.1039/c8sc01833b","","x-ray","1.54184","CuKα","","0.0525","0.0517","","","0.1337","0.1345","","","","","","1.098","","","","has coordinates","228756","2020-10-21","18:00:00",""
"1549433","25.6568","0.0011","9.9841","0.0003","9.988","0.0004","90","","95.639","0.004","90","","2546.15","0.17","150","","150","","","","","","","","synthetic","6","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H12.5 Cl1.5 I N O -","- C8.5 H12.5 Cl1.5 I N O -","- C68 H100 Cl12 I8 N8 O8 -","8","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.5418","CuKα","","0.0428","0.0399","","0.1106","0.1071","0.1106","","","","","","0.9969","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549434","7.0213","0.0003","11.7894","0.0005","12.2156","0.0005","72.797","0.004","86.293","0.004","89.879","0.003","963.76","0.07","150","","150","","","","","","","","synthetic","5","P -1","-P 1","2","","","","- C8 H12 Br N O2 -","- C8 H12 Br N O2 -","- C32 H48 Br4 N4 O8 -","4","2","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0378","0.0328","","0.0875","0.0824","0.0875","","","","","","1.008","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549435","14.727","0.0003","5.7756","0.0001","21.9219","0.0005","90","","92.4149","0.0018","90","","1862.96","0.07","150","","150","","","","","","","","synthetic","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0408","0.0377","","0.0984","0.0948","0.0984","","","","","","0.9976","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549436","12.8692","0.0002","8.4534","0.0001","11.4743","0.0002","90","","99.0055","0.0015","90","","1232.88","0.03","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 I N O2 -","- C12 H12 I N O2 -","- C48 H48 I4 N4 O8 -","4","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0278","0.0274","","0.076","0.0756","0.076","","","","","","1.0008","","","","has coordinates","228830","2020-10-21","18:00:00",""
"1549437","5.602","0.0003","8.9978","0.0005","13.3874","0.0009","95.953","0.005","98.695","0.005","98.785","0.005","653.64","0.07","200","","200","","","","","","","","synthetic","4","P -1","-P 1","2","","","","- C13 H12 F3 I -","- C13 H12 F3 I -","- C26 H24 F6 I2 -","2","1","","Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.","Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.","Chemical science","2018","9","23","5295","5300","10.1039/c8sc01355a","","","1.54184","CuKα","","0.0388","0.0358","","0.0992","0.0947","0.099","","","","","","0.9928","","","","has coordinates,has disorder","228830","2020-10-21","18:00:00",""
"1549438","8.6189","0.0002","8.0477","0.0002","8.6853","0.0001","90","","101.24","0.002","90","","590.88","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C30 H32 O4 -","2","1","","Jurberg, Igor D.; Davies, Huw M. L.","Blue light-promoted photolysis of aryldiazoacetates.","Chemical science","2018","9","22","5112","5118","10.1039/c8sc01165f","","x-ray","1.54184","CuKα","","0.029","0.0283","","","0.0716","0.0719","","","","","","1.106","","","","has coordinates","228642","2020-10-21","18:00:00",""
"1549439","23.493","0.0015","11.9942","0.0008","21.8489","0.0014","90","","104.259","0.0019","90","","5966.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(Cyclohex-1-enyl)cyclohexylamido]bis(dicyclohexylamido)[methyltris(pentafluorophenyl)borato]zirconium(IV) hexane monosolvate","","- C61 H81 B F15 N3 Zr -","- C61 H81 B F15 N3 Zr -","- C244 H324 B4 F60 N12 Zr4 -","4","1","WM4076","Frerichs, Nils; Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr^+^-μ-CH~3~—B^{-^} moiety and one equivalent of <i>n</i>-hexane as a solvent","IUCrData","2018","3","5","x180644","","10.1107/S2414314618006442","","","0.71073","MoKα","","0.0466","0.0313","","","0.0765","0.0842","","","","","","1.037","","","","has coordinates,has Fobs","207906","2020-10-21","18:00:00",""
"1549440","9.8525","0.0004","10.6407","0.0006","19.272","0.0009","98.867","0.004","95.255","0.004","105.512","0.004","1904.76","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","4,5-Diferrocenyl-1,2-dithiol-3-one","","- C23 H18 Fe2 O S2 -","- C23 H18 Fe2 O S2 -","- C92 H72 Fe8 O4 S8 -","4","2","WM4074","Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiol-3-one","IUCrData","2018","3","5","x180685","","10.1107/S2414314618006855","","","0.71073","MoKα","","0.0761","0.0464","","","0.0949","0.1099","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","207907","2020-10-21","18:00:00",""
"1549450","19.835","0.0005","19.835","0.0005","29.0373","0.0008","90","","90","","120","","9893.5","0.4","173","","173","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H24 Co N7 O9 -","- C12 H24 Co N7 O9 -","- C216 H432 Co18 N126 O162 -","18","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0515","0.0495","","0.1408","0.1386","0.1408","","","","","","1.008","","","","has coordinates,has disorder","228643","2020-10-21","18:00:00",""
"1549451","9.9394","0.0004","9.5494","0.0004","21.4604","0.0009","90","","90.9342","0.0013","90","","2036.65","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H27 Br3 Co N5 -","- C14 H27 Br3 Co N5 -","- C56 H108 Br12 Co4 N20 -","4","1","","Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.","A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.","Chemical science","2018","9","22","4950","4958","10.1039/c8sc00721g","","","0.71073","MoKα","","0.0341","0.0247","","0.0616","0.0584","0.0616","","","","","","1.0003","","","","has coordinates","228643","2020-10-21","18:00:00",""
"1549452","8.8034","0.0005","9.6631","0.0006","10.5046","0.0006","102.117","0.001","107.299","0.001","102.283","0.001","797.12","0.08","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","A-1F0","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0609","0.0466","","","0.1223","0.1328","","","","","","1.033","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549453","7.6139","0.0006","10.1143","0.0008","12.847","0.001","95.814","0.002","92.348","0.002","93.463","0.002","981.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-2","","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","- C46 H34 F10 N2 O4 -","1","0.5","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","0.71073","MoKα","","0.0746","0.0538","","","0.1443","0.1567","","","","","","1.047","","","","has coordinates","228629","2020-10-21","18:00:00",""
"1549454","22.741","","7.648","","35.273","","90","","96.81","","90","","6091.51","","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","A-8","","- C70 H82 F10 N2 O4 -","- C70 H82 F10 N2 O4 -","- C280 H328 F40 N8 O16 -","4","1","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54184","CuKα","","0.1071","0.0901","","","0.1722","0.1794","","","","","","1.159","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549455","12.392","0.0007","17.6527","0.0009","18.8864","0.001","95.161","0.003","103.759","0.003","106.881","0.003","3783.4","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","A-4","","- C54 H50 F4 N10 O2 -","- C40.5 H19.5 F7.5 N1.5 O3 -","- C162 H78 F30 N6 O12 -","4","2","","Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.","Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.","Chemical science","2018","9","24","5415","5426","10.1039/c8sc00980e","","","1.54178","CuKα","","0.3115","0.2346","","","0.5424","0.5936","","","","","","3.541","","","","has coordinates,has disorder","228629","2020-10-21","18:00:00",""
"1549456","13.7644","0.0001","24.8987","0.0002","35.6022","0.0002","90","","90","","90","","12201.4","0.15","173.01","0.1","173.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C132 H112 Au6 B2 F8 N2 O P6 -","- C132 H112 Au6 B2 F8 N2 O P6 -","- C528 H448 Au24 B8 F32 N8 O4 P24 -","4","1","","Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang","Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.","Chemical science","2018","9","25","5614","5622","10.1039/c8sc00344k","","","1.54184","CuKα","","0.0629","0.0617","","","0.1598","0.1607","","","","","","1.064","","","","has coordinates,has disorder","228758","2020-10-21","18:00:00",""
"1549457","5.5798","0.0004","26.592","0.002","8.0005","0.0006","90","","108.656","0.0009","90","","1124.72","0.14","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0448","0.0403","","","0.1067","0.1106","","","","","","1.017","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549458","16.348","0.008","6.781","0.003","10.091","0.005","90","","100.02","0.006","90","","1101.6","0.9","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0837","0.0711","","","0.1837","0.1989","","","","","","1.015","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549459","10.7209","0.0005","13.1604","0.0006","8.2158","0.0004","90","","105.789","0.0005","90","","1115.44","0.09","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0539","0.047","","","0.125","0.1306","","","","","","1.044","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549460","14.4406","0.0013","9.5463","0.0009","10.3489","0.0009","90","","98.2686","0.0011","90","","1411.8","0.2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0403","","","0.1067","0.112","","","","","","1.041","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549461","6.5568","0.0004","15.0022","0.001","11.4025","0.0007","90","","97.5881","0.0008","90","","1111.8","0.12","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.044","0.0396","","","0.1009","0.105","","","","","","1.046","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549462","9.7545","0.0005","9.4518","0.0005","15.7484","0.0009","90","","103.855","0.001","90","","1409.72","0.13","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0497","0.0462","","","0.1203","0.1239","","","","","","1.05","","","","has coordinates,has disorder","228632","2020-10-21","18:00:00",""
"1549463","6.8954","0.0006","8.3622","0.0008","12.1458","0.0011","106.492","0.0011","92.7147","0.0011","108.899","0.001","627.79","0.1","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0463","0.0393","","","0.0908","0.0954","","","","","","1.012","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549464","10.3761","0.0013","10.82","0.0014","10.8988","0.0014","90","","90","","90","","1223.6","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0369","0.0329","","","0.0802","0.0827","","","","","","1.035","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549465","24.2592","0.0006","24.2592","0.0006","74.473","0.002","90","","90","","120","","37956.2","1.7","230","2","230","","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C105 H87 Au13 Cu4 N3 P3 Se9 -","- C105 H87 Au13 Cu4 N3 P3 Se9 -","- C1260 H1044 Au156 Cu48 N36 P36 Se108 -","12","","","Song, Yongbo; Lv, Ying; Zhou, Meng; Luo, Tian-Yi; Zhao, Shuo; Rosi, Nathaniel L.; Yu, Haizhu; Zhu, Manzhou; Jin, Rongchao","Single Ligand Exchange on an Au-Cu Bimetal Nanocluster and Mechanism","Nanoscale","2018","","","","","10.1039/C8NR01611A","","x-ray","1.54178","CuKα","","0.0779","0.0564","","","0.1777","0.2014","","","","","","1.063","","","","has coordinates","207979","2020-10-21","18:00:00",""
"1549466","7.538","0.002","9.367","0.003","18.374","0.005","90","","100.039","0.004","90","","1277.5","0.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22.2 O2 -","- C37.996 H22.2 O1.9992 -","- C75.992 H44.4 O3.9984 -","2","0.5","","Inagaki, Yuki; Mutoh, Katsuya; Abe, Jiro","Stepwise photochromism of bisnaphthopyrans exhibiting an excitation intensity-dependent color change.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","7","946","953","10.1039/c8pp00205c","","","0.71073","MoKα","","0.0993","0.074","","","0.1853","0.2043","","","","","","1.035","","","","has coordinates,has disorder","230896","2020-10-21","18:00:00",""
"1549467","5.9482","0.0007","10.0866","0.001","5.8984","0.0006","90","","90","","90","","353.89","0.07","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","Sodium Acetate","Sodium Acetate","","- C2 H3 Na O2 -","- C2 H3 Na O2 -","- C8 H12 Na4 O8 -","4","0.5","","Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss","New Polymorphs of the Phase-Change Material Sodium Acetate","Crystals","2018","8","","213","","10.3390/cryst8050213","","","0.71073","MoKα","","0.046","0.029","","","","0.081","","","","","","1.5854","","","","has coordinates","288642","2024-01-03","13:53:13",""
"1549468","4.156","0.003","4.156","","10.053","0.007","90","","90","","90","","173.64","0.17","100","2","100","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Sodium Acetate","Sodium Acetate","","- C2 H3 Na O2 -","- C2 H3 Na O2 -","- C4 H6 Na2 O4 -","2","0.125","","Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss","New Polymorphs of the Phase-Change Material Sodium Acetate","Crystals","2018","8","","213","","10.3390/cryst8050213","","","0.71073","MoKα","","0.037","0.027","","","","0.078","","","","","","1.7752","","","","has coordinates","288647","2024-01-03","15:11:51",""
"1549469","44.7776","0.0058","44.7776","0.0058","7.6581","0.0039","90","","90","","90","","15355","8","298","","298","","","","1013","","","","","6","I 41 c d","I 4bw -2c","110","","","Zr-CAU-30","- C44 N4 Ni O22 P4 Zr2 -","- C44 N4 Ni O21.052 P4 Zr2 -","- C352 N32 Ni8 O168.416 P32 Zr16 -","8","0.5","","Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert","Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation.","Chemical science","2018","9","24","5467","5478","10.1039/c8sc01533c","","x-ray","1.54059","CuKα1","","","","","","","","","","","","","","","","","has coordinates","228631","2020-10-21","18:00:00",""
"1549470","18.5779","0.0016","7.5662","0.0007","12.5844","0.0011","90","","111.612","0.001","90","","1644.6","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium vanadyl selenite hydrogenselenite","","- H3 Na O8 Se2 V -","- H3 Na O8 Se2 V -","- H24 Na8 O64 Se16 V8 -","8","1","","Stefano Canossa; Giovanni Predieri; Claudia Graiff","Mild Synthesis and Structural Characterization of a Novel Vanadyl Selenite-Hydrogen Selenite Phase, Na[VO(SeO3)(HSeO3)].1,5H2O","Crystals","2018","8","","215","","10.3390/cryst8050215","","","0.71073","MoKα","","0.0489","0.0377","","","0.0969","0.1018","","","","","","1.068","","","","has coordinates,has disorder","208003","2020-10-21","18:00:00",""
"1549471","11.785","0.003","19.051","0.005","19.029","0.005","90","","93.29","0.004","90","","4265.3","1.9","110","","110","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B2 -","- C56 H56 B2 -","- C224 H224 B8 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.1521","0.0727","","","0.123","0.154","","","","","","1.01","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549472","18.849","0.003","11.5959","0.0016","20.422","0.003","90","","106.914","0.0018","90","","4270.6","1.1","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H54 B2 N2 -","- C48 H54 B2 N2 -","- C192 H216 B8 N8 -","4","0.5","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0567","0.0512","","","0.1412","0.1471","","","","","","1.042","","","","has coordinates","228624","2020-10-21","18:00:00",""
"1549473","21.407","0.003","13.6932","0.0018","23.988","0.003","90","","92.4764","0.0014","90","","7025","1.6","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C79 H83 B2 Cl4 K N O6 -","- C79 H83 B2 Cl4 K N O6 -","- C316 H332 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0538","0.0452","","","0.1119","0.1181","","","","","","1.023","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549474","15.4096","0.0014","23.693","0.002","19.0628","0.0017","90","","112.948","0.0011","90","","6409","1","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H78 B2 Cl4 K N O6 -","- C71 H78 B2 Cl4 K N O6 -","- C284 H312 B8 Cl16 K4 N4 O24 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide.","Chemical science","2018","9","29","6210","6218","10.1039/c8sc01877d","","","0.71073","MoKα","","0.0805","0.0543","","","0.1549","0.1724","","","","","","1.074","","","","has coordinates,has disorder","228624","2020-10-21","18:00:00",""
"1549475","12.8924","0.0006","13.4295","0.0006","13.7975","0.0006","110.488","0.004","112.313","0.004","100.712","0.004","1925.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[(Mes-BDIAl)HPd(PCy3)]2","","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","- C82 H126 Al2 N4 P2 Pd2 -","1","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","","0.71073","MoKα","","0.0434","0.035","","","0.0736","0.0775","","","","","","1.046","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549476","12.086","0.0004","22.1931","0.0007","12.9055","0.0004","90","","106.077","0.004","90","","3326.2","0.2","173","2","173","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipp-BDIAlH(o-tol)","","- C36 H48.9 Al Cl0.1 N2 -","- C36 H48.9 Al Cl0.1 N2 -","- C144 H195.6 Al4 Cl0.4 N8 -","4","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.087","0.0589","","","0.1387","0.154","","","","","","1.099","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549477","16.6858","0.0014","20.95","0.002","9.0089","0.0009","90","","90","","90","","3149.2","0.5","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dipp-BDIAlH(Ph)","","- C35 H47 Al N2 -","- C35 H47 Al N2 -","- C140 H188 Al4 N8 -","4","0.5","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.0844","0.0479","","","0.1258","0.1371","","","","","","0.699","","","","has coordinates,has disorder","228628","2020-10-21","18:00:00",""
"1549478","13.2046","0.0008","14.1589","0.0011","23.4405","0.0011","94.72","0.005","98.247","0.004","108.643","0.006","4071.1","0.5","173","2","173","0.14","","","","","","","","6","P -1","-P 1","2","","[Pd(PCy3)(Dipp-BDIAl)2]","","- C85 H136 Al2 N4 P Pd -","- C85 H136 Al2 N4 P Pd -","- C170 H272 Al4 N8 P2 Pd2 -","2","1","","Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity.","Chemical science","2018","9","24","5435","5440","10.1039/c8sc02072h","","x-ray","0.71073","MoKα","","0.1093","0.0679","","","0.1424","0.1662","","","","","","1.044","","","","has coordinates","228628","2020-10-21","18:00:00",""
"1549479","28.6364","0.0008","28.6364","0.0008","29.7717","0.0008","90","","90","","120","","21143.2","1","293","2","293.15","","","","","","","","","7","R -3","-R 3","148","","","","- C50 H33 Cl2 F7 N O Sb -","- C50 H33 Cl2 F7 N O Sb -","- C900 H594 Cl36 F126 N18 O18 Sb18 -","18","","","Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong","Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration","Chemical Science","2018","","","","","10.1039/C8SC01963K","","","0.71073","MoKα","","0.1073","0.0613","","","0.1712","0.1921","","","","","","1.044","","","","has coordinates","208010","2020-10-21","18:00:00",""
"1549480","9.14367","0.00015","44.3544","0.0008","12.23171","0.00019","90","","109.948","0.0017","90","","4663.08","0.14","296.7","0.8","296.7","0.8","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H35 Cl F6 N O3 Sb -","- C51.5 H35 Cl F6 N O3 Sb -","- C206 H140 Cl4 F24 N4 O12 Sb4 -","4","1","","Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong","Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration","Chemical Science","2018","","","","","10.1039/C8SC01963K","","x-ray","1.54184","CuKα","","0.0896","0.0801","","","0.226","0.2355","","","","","","1.069","","","","has coordinates","208010","2020-10-21","18:00:00",""
"1549481","7.2613","0.0002","7.6635","0.0003","13.5746","0.0005","95.988","0.003","98.931","0.003","90.085","0.003","742.04","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0267","0.0258","","","0.0684","0.069","","","","","","1.014","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549482","7.0836","0.0003","15.1242","0.0006","13.5688","0.0006","96.424","0.004","97.878","0.004","90.09","0.004","1430.7","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pd(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pd -","- C26 H16 Fe N12 O2 Pd -","- C52 H32 Fe2 N24 O4 Pd2 -","2","1","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0388","0.0331","","","0.0941","0.0993","","","","","","1.057","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549483","7.2772","0.0001","7.6432","0.0001","13.5928","0.0003","95.997","0.002","98.598","0.002","90.08","0.002","743.35","0.02","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[Fe(proptrz)2Pt(CN)4].2H2O","","","- C26 H20 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","- C26 H16 Fe N12 O2 Pt -","1","0.5","","Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.","Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.","Chemical science","2018","9","25","5623","5629","10.1039/c8sc01040d","","","1.54184","CuKα","","0.0562","0.056","","","0.1544","0.1545","","","","","","1.083","","","","has coordinates,has disorder","228759","2020-10-21","18:00:00",""
"1549484","10.302","0.004","10.479","0.004","12.612","0.004","72.875","0.006","70.7","0.006","76.245","0.006","1213.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Br Co N3 O4 -","- C24 H31 Br Co N3 O4 -","- C48 H62 Br2 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.0892","0.0663","","","0.182","0.1998","","","","","","1.054","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549485","11.724","0.019","14","0.02","15.95","0.03","66.86","0.02","76.56","0.03","68.44","0.03","2227","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Co N6 O14 -","- C40 H34 Co N6 O14 -","- C80 H68 Co2 N12 O28 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.3224","0.1186","","","0.2708","0.379","","","","","","0.946","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549486","11.416","0.003","13.616","0.004","13.991","0.003","73.027","0.005","70.324","0.004","69.364","0.005","1879","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Co N3 O6 -","- C26 H25 Co N3 O4 -","- C52 H50 Co2 N6 O8 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.1068","0.0695","","","0.2061","0.2231","","","","","","1.198","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549487","11.93","0.009","14.213","0.011","17.277","0.013","98.862","0.012","101.804","0.013","112.978","0.012","2550","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H44 Co N3 O11 -","- C46 H44 Co N3 O11 -","- C92 H88 Co2 N6 O22 -","2","1","","Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X.","Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations.","Chemical science","2018","9","26","5736","5746","10.1039/c8sc00851e","","","0.71073","MoKα","","0.2032","0.1128","","","0.3113","0.3833","","","","","","1.074","","","","has coordinates","228710","2020-10-21","18:00:00",""
"1549488","11.6869","0.0005","8.8935","0.0004","8.551","0.0004","90","","90.223","0.001","90","","888.76","0.07","120","2","120","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H20 Cl2 O6 Pd -","- C15 H20 Cl2 O6 Pd -","- C30 H40 Cl4 O12 Pd2 -","2","0.25","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0217","0.0217","","","0.0555","0.0555","","","","","","1.069","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549489","4.7881","0.0008","7.9629","0.0013","8.7923","0.0015","80.994","0.003","77.33","0.003","72.621","0.003","310.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","- C10 H8 F6 O4 Pd -","1","0.5","","Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P.","Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand","Catalysis Science & Technology","2018","8","12","3073","","10.1039/C8CY00173A","","","0.71073","MoKα","","0.0321","0.0307","","","0.0585","0.0593","","","","","","1.031","","","","has coordinates","227977","2020-10-21","18:00:00",""
"1549490","12.4209","0.0005","13.6925","0.0005","15.889","0.0006","81.806","0.003","74.263","0.003","87.206","0.003","2574.3","0.18","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H24 Cl8 N6 -","- C56 H24 Cl8 N6 -","- C112 H48 Cl16 N12 -","2","1","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","x-ray","1.54184","CuKα","","0.0517","0.0442","","","0.1151","0.1203","","","","","","1.022","","","","has coordinates","228662","2020-10-21","18:00:00",""
"1549492","13.85","0.003","15.15","0.003","17.46","0.003","73.28","0.03","78.26","0.03","77.43","0.03","3385.5","1.3","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H68 Cl2 O6 -","- C76 H62 O6 -","- C152 H124 O12 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","","0.71073","MoKα","","0.0976","0.0755","","","0.2271","0.2456","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549493","10.1039","0.0004","14.5087","0.0009","15.0844","0.0008","65.241","0.005","89.939","0.004","69.932","0.005","1859.5","0.2","99.97","0.1","99.97","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N2 -","- C50 H46 N2 -","- C100 H92 N4 -","2","1","","Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong","Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission.","Chemical science","2018","9","25","5679","5687","10.1039/c8sc01709c","","x-ray","1.54178","CuKα","","0.0463","0.0379","","","0.1066","0.1143","","","","","","1.004","","","","has coordinates","228757","2020-10-21","18:00:00",""
"1549494","7.286","0.002","17.379","0.005","12.95","0.003","90","","102.769","0.013","90","","1599.2","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","","- C10 H23 Cl3 N2 Pd -","- C10 H23 Cl3 N2 Pd -","- C40 H92 Cl12 N8 Pd4 -","4","1","BT4069","Oberley, Alan J.; Kadel, Lava R.; Senaratne, Nilmini K.; Eichhorn, David M.","Tetraethylammonium (acetonitrile)trichloridopalladate(II)","IUCrData","2018","3","5","x180750","","10.1107/S2414314618007502","","","0.71073","MoKα","","0.0442","0.033","","","0.0852","0.0922","","","","","","1.063","","","","has coordinates,has Fobs","208078","2020-10-21","18:00:00",""
"1549495","15.0632","0.0004","12.3425","0.0003","16.2371","0.0004","90","","107.643","0.0013","90","","2876.77","0.13","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Cl Ir N O7 P -","- C26 H44 Cl Ir N O7 P -","- C104 H176 Cl4 Ir4 N4 O28 P4 -","4","1","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0495","0.0385","","","0.0882","0.0936","","","","","","1.026","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549496","7.7588","0.0006","15.5942","0.0012","24.116","0.0019","89.185","0.004","82.743","0.004","89.582","0.005","2894.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ir N O7 P -","- C26 H43 Ir N O7 P -","- C104 H172 Ir4 N4 O28 P4 -","4","2","","Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M.","Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes","Catalysis Science & Technology","2018","8","12","3133","","10.1039/C8CY00328A","","","1.54178","CuKα","","0.0299","0.0246","","","0.0511","0.0526","","","","","","1.068","","","","has coordinates","227978","2020-10-21","18:00:00",""
"1549497","21.3348","0.0009","5.9392","0.0002","23.3779","0.001","90","","102.485","0.004","90","","2892.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ONdP(BC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.1587","0.1496","","","0.3314","0.3358","","","","","","1.062","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549498","23.584","0.004","6.0025","0.0007","21.526","0.003","90","","102.573","0.014","90","","2974.2","0.8","272","4","272","4","","","","","","","","5","C 1 c 1","C -2yc","9","","ONdP(GC)","","- C37 H28 N O P -","- C37 H28 N O P -","- C148 H112 N4 O4 P4 -","4","1","","Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions.","Chemical science","2018","9","26","5787","5794","10.1039/c8sc01703d","","x-ray","1.54184","CuKα","","0.0966","0.0872","","","0.2447","0.2916","","","","","","1.372","","","","has coordinates,has disorder","228707","2020-10-21","18:00:00",""
"1549499","14.2183","0.001","13.7802","0.0009","19.1871","0.0012","90","","97.389","0.002","90","","3728.1","0.4","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","5,6-Dibromido-1,10-phenanthroline-bis(phendiylpyridine)iridium(III)-hexafluorophosphate","","- C37 H27 Br2 Cl2 F6 Ir N5 P -","- C34 H22 Br2 F6 Ir N4 P -","- C136 H88 Br8 F24 Ir4 N16 P4 -","4","1","","Erdmann, E.; Villinger, A.; König, B; Seidel, W. W.","1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","8","1056","1067","10.1039/c8pp00068a","","","0.71073","MoKα","","0.1009","0.0524","","","0.1117","0.1218","","","","","","0.961","","","","has coordinates","230888","2020-10-21","18:00:00",""
"1549500","22.4564","0.0008","13.5405","0.0005","25.1871","0.0009","90","","91.785","0.002","90","","7654.9","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","1,10-phenanthrolinedithiino[2,3-b]quinoxaline-bis(phendiylpyridine)iridium(III)-hexafluorophosphate","","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C42.5 H27 Cl F6 Ir N6 P S2 -","- C340 H216 Cl8 F48 Ir8 N48 P8 S16 -","8","4","","Erdmann, E.; Villinger, A.; König, B; Seidel, W. W.","1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","8","1056","1067","10.1039/c8pp00068a","","","0.71073","MoKα","","0.0995","0.0512","","","0.0953","0.1116","","","","","","1.018","","","","has coordinates,has disorder","230888","2020-10-21","18:00:00",""
"1549501","12.2471","0.0003","18.3327","0.0005","17.6262","0.0005","90","","95.002","0.002","90","","3942.41","0.18","100","0.1","100","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H95 Fe2 N17 O23 -","- C70 H95 Fe2 N17 O23 -","- C140 H190 Fe4 N34 O46 -","2","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.067","0.054","","","0.1557","0.166","","","","","","1.035","","","","has coordinates,has disorder","228708","2020-10-21","18:00:00",""
"1549502","11.359","0.0005","11.8525","0.0005","13.7993","0.0006","68.492","0.004","83.722","0.004","66.929","0.004","1588.95","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","- C56 H60 Fe2 N16 O19 -","1","0.5","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","1.54184","CuKα","","0.0528","0.0504","","","0.1494","0.1527","","","","","","1.071","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549503","11.8093","0.0012","19.833","0.002","18.2984","0.0017","90","","93.921","0.003","90","","4275.7","0.7","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H51 Co N11 O11 -","- C38 H51 Co N11 O11 -","- C152 H204 Co4 N44 O44 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0703","0.043","","","0.0955","0.1062","","","","","","1.029","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549504","11.1043","0.0003","17.4254","0.0004","19.3342","0.0004","90","","90","","90","","3741.11","0.15","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N7 O5 Zn -","- C36 H51 N7 O5 Zn -","- C144 H204 N28 O20 Zn4 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.0579","0.0588","","","","","","1.072","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549505","11.0981","0.0003","17.442","0.0004","19.3054","0.0004","90","","90","","90","","3737.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Fe N7 O5 -","- C36 H51 Fe N7 O5 -","- C144 H204 Fe4 N28 O20 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0263","0.0248","","","0.0592","0.06","","","","","","1.042","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549506","10.2415","0.0004","11.6883","0.0004","18.9061","0.0007","97.1912","0.0011","96.6555","0.0011","104.782","0.0011","2145.12","0.14","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Mn N9 O11 -","- C34 H45 Mn N9 O11 -","- C68 H90 Mn2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0469","0.0371","","","0.0941","0.0995","","","","","","1.023","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549507","10.1375","0.0008","11.6574","0.0009","19.0003","0.0015","97.688","0.002","96.622","0.002","103.818","0.002","2135.4","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 N10 O12 Zn -","- C38 H54 N10 O12 Zn -","- C76 H108 N20 O24 Zn2 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0523","0.0498","","","0.1302","0.1318","","","","","","1.053","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549508","10.2617","0.0002","11.3806","0.0002","19.5188","0.0004","105.524","0.002","98.363","0.002","94.721","0.002","2155.33","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 Co N10 O5 -","- C39 H48 Co N10 O5 -","- C78 H96 Co2 N20 O10 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0334","0.0297","","","0.078","0.0797","","","","","","1.055","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549509","10.2009","0.0003","11.6975","0.0003","18.9343","0.0005","97.4707","0.0009","96.4933","0.0009","104.418","0.0009","2144.57","0.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 Fe N9 O11 -","- C34 H45 Fe N9 O11 -","- C68 H90 Fe2 N18 O22 -","2","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0531","0.0374","","","0.0875","0.0933","","","","","","1.028","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549510","9.2297","0.0004","10.6903","0.0004","27.8883","0.0012","90","","91.6399","0.0018","90","","2750.6","0.2","123","","123","","","","","","","","R. Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0405","0.0361","","0.0785","0.0778","0.0785","","","","","","0.9187","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549511","8.5388","0.0005","14.2697","0.0008","22.0284","0.0014","90","","94.249","0.003","90","","2676.7","0.3","123","","123","","","","","","","","Rajesh Mannancherry","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 -","- C40 H30 -","- C160 H120 -","4","1","","Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel","Molecular dynamic staircases: all-carbon axial chiral ""Geländer"" structures.","Chemical science","2018","9","26","5758","5766","10.1039/c8sc01707g","","","1.54178","CuKα","","0.0412","0.0352","","0.0781","0.076","0.078","","","","","","0.9378","","","","has coordinates","228713","2020-10-21","18:00:00",""
"1549518","6.7724","0.0013","7.1774","0.0014","26.793","0.005","90","","93.184","0.003","90","","1300.3","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","SJ4179","Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T.","(<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine","IUCrData","2018","3","6","x180764","","10.1107/S2414314618007642","","","0.71073","MoKα","","0.0806","0.0535","","","0.1158","0.1324","","","","","","1.032","","","","has coordinates,has Fobs","208142","2020-10-21","18:00:00",""
"1549520","7.5867","0.0007","10.268","0.0007","11.4684","0.0008","95.592","0.004","102.147","0.004","109.987","0.003","806.72","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C38 H38 N6 O6 -","2","1","SJ4180","Koh, Dongsoo; Lee, Ji Hye","4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine","IUCrData","2018","3","6","x180796","","10.1107/S2414314618007964","","","0.71073","MoKα","","0.0839","0.0457","","","0.0962","0.1118","","","","","","1.019","","","","has coordinates,has Fobs","208144","2020-10-21","18:00:00",""
"1549521","16.7564","0.0013","7.9403","0.0006","17.9303","0.0013","90","","103.777","0.003","90","","2317","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","","- C16 H24 Br4 Cd N2 O2 -","- C16 H24 Br4 Cd N2 O2 -","- C64 H96 Br16 Cd4 N8 O8 -","4","1","SJ4181","Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram","Bis(4-methoxybenzylammonium) tetrabromidocadmate(II)","IUCrData","2018","3","6","","","10.1107/S2414314618007952","","","0.71073","MoKα","","0.0867","0.0524","","","0.1082","0.1234","","","","","","1.059","","","","has coordinates,has Fobs","208145","2020-10-21","18:00:00",""
"1549524","11.0628","0.0005","6.0454","0.0003","9.3526","0.0004","90","","90","","90","","625.49","0.05","293","","293","","","","","","","","synthesised as described","4","P c a 21","P 2c -2ac","29","Diammine nickel nitrate","Diammine nickel(II) nitrate","","- H6 N4 Ni O6 -","- H6 N4 Ni O6 -","- H24 N16 Ni4 O24 -","4","1","","Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H.","Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate","Inorganics","2018","6","","","","","powder diffraction","x-ray","1.54056","CuKα~1~","","0.0335","0.0333","","0.0443","0.0443","","","","2.51","","","","","","","has coordinates","208149","2020-10-21","18:00:00",""
"1549525","8.1481","0.0001","6.8774","0.0001","10.9947","0.0001","90","","95.97","0.001","90","","612.777","0.013","89.9","0.3","89.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cytosinium chloride","","- C4 H6 Cl N3 O -","- C4 H6 Cl N3 O -","- C16 H24 Cl4 N12 O4 -","4","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0159","","","0.0237","0.0237","","","","","","1.21","","","","has coordinates","208221","2020-10-21","18:00:00",""
"1549526","8.6936","0.0001","4.8189","0.0001","17.6971","0.0001","90","","93.526","0.001","90","","739.992","0.018","89.9","0.3","89.9","0.3","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","adeninium chloride hemihydrate","","- C5 H7 Cl N5 O0.5 -","- C5 H7 Cl N5 O0.5 -","- C20 H28 Cl4 N20 O2 -","4","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0217","","","0.0283","0.0283","","","","","","1.21","","","","has coordinates","288248","2023-12-12","12:55:26",""
"1549527","13.5939","0.0005","6.4841","0.0002","9.86","0.0004","90","","90","","90","","869.1","0.05","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","guaninium dichloride","","- C2.5 H3.5 Cl N2.5 O0.5 -","- C2.5 H3.5 Cl N2.5 O0.5 -","- C20 H28 Cl8 N20 O4 -","8","1","","Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria","Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions","IUCrJ","2018","5","4","","","10.1107/S2052252518006346","","x-ray","0.71073","MoKα","","","0.0179","","","0.019","0.019","","","","","","1.05","","","","has coordinates","208221","2020-10-21","18:00:00",""
"1549528","6.8573","0.0012","7.4073","0.0014","15.55","0.003","87.843","0.006","78.892","0.005","72.347","0.005","738.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","HB4235","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","(3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one","IUCrData","2018","3","6","x180829","","10.1107/S2414314618008295","","","0.71073","MoKα","","0.1265","0.0798","","","0.1987","0.2513","","","","","","1.122","","","","has coordinates,has Fobs","208222","2020-10-21","18:00:00",""
"1549529","11.0118","0.001","11.7295","0.0011","11.7453","0.0011","66.009","0.004","67.12","0.004","66.057","0.004","1220.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","","- C19.83 H29 Cl3 N4 O2.17 -","- C19.829 H29 Cl3 N4 O2.171 -","- C39.658 H58 Cl6 N8 O4.342 -","2","1","LH4035","Van Erdewyk, Martha L.; Oshin, Kayode D.","Crystal structure of tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342)","IUCrData","2018","3","6","x180826","","10.1107/S241431461800826X","","","1.54178","CuKα","","0.07","0.0643","","","0.1783","0.1857","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","208223","2020-10-21","18:00:00",""
"1549536","16.518","0.002","15.555","0.002","16.111","0.002","90","","104.402","0.003","90","","4009.4","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Co N2 O7 -","- C17 H19 Co N2 O7 -","- C136 H152 Co8 N16 O56 -","8","1","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71076","MoKα","","0.0775","0.0562","","","0.1538","0.1775","","","","","","1.045","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549537","16.418","0.003","15.589","0.003","16.101","0.003","90","","103.863","0.004","90","","4000.9","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H45 Co2 N5 O15 -","- C37 H45 Co2 N5 O15 -","- C148 H180 Co8 N20 O60 -","4","0.5","","Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin","Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor.","Chemical science","2018","9","27","5912","5918","10.1039/c8sc01439f","","","0.71073","MoKα","","0.069","0.0535","","","0.1603","0.1779","","","","","","1.043","","","","has coordinates,has disorder","228663","2020-10-21","18:00:00",""
"1549538","10.0308","0.0012","12.6903","0.0016","19.943","0.002","90","","90","","90","","2538.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 B Br N O6 -","- C23 H33 B Br N O6 -","- C92 H132 B4 Br4 N4 O24 -","4","1","","Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao","Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles.","Chemical science","2018","9","26","5855","5859","10.1039/c8sc01815d","","","0.71073","MoKα","","0.0506","0.0408","","","0.104","0.1091","","","","","","1.001","","","","has coordinates","228705","2020-10-21","18:00:00",""
"1549543","12.0014","0.0012","13.0411","0.0012","17.0476","0.0015","88.379","0.004","81.381","0.004","74.642","0.004","2543.6","0.4","173","2","173.01","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O4 -","- C60 H48 N4 O4 -","- C120 H96 N8 O8 -","2","1","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1954","0.099","","","0.2315","0.2991","","","","","","1.012","","","","has coordinates,has disorder","228661","2020-10-21","18:00:00",""
"1549544","25.387","0.002","27.537","0.003","21.8595","0.0019","90","","90","","90","","15282","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C59 H50 Cl2 N4 O4 S2 -","- C59 H50 Cl2 N4 O4 S2 -","- C708 H600 Cl24 N48 O48 S24 -","12","3","","Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong","Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells.","Chemical science","2018","9","27","5919","5928","10.1039/c8sc00731d","","","0.71073","MoKα","","0.1711","0.0873","","","0.1854","0.2351","","","","","","1.035","","","","has coordinates","228661","2020-10-21","18:00:00",""
"1549545","4.9869","0.0002","11.7644","0.0005","22.1329","0.0008","90","","90","","90","","1298.49","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C52 H52 N4 O20 S4 -","4","1","","Aujard-Catot, Julien; Nguyen, Michel; Bijani, Christian; Pratviel, Geneviève; Bonduelle, Colin","Cd2+ coordination: an efficient structuring switch for polypeptide polymers","Polymer Chemistry","2018","9","30","4100","","10.1039/C8PY00810H","","x-ray","0.71073","MoKα","","0.028","0.0248","","","0.0683","0.0696","","","","","","1.128","","","","has coordinates","230968","2020-10-21","18:00:00",""
"1549553","10.0717","0.0014","9.612","0.003","21.809","0.004","90","","90","","90","","2111.3","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H13 Cu O8 P -","- C4 H13 Cu O8 P -","- C32 H104 Cu8 O64 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.0565","0.0341","","0.0726","0.0702","","","","1.098","1.279","1.279","","","","","has coordinates","208344","2020-10-21","18:00:00",""
"1549554","8.1247","0.0015","9.19","0.0009","21.023","0.002","90","","90","","90","","1569.7","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H9 Cu O7 P -","- C3 H9 Cu O7 P -","- C24 H72 Cu8 O56 P8 -","8","1","","Köferstein, Roberto; Arnold, Michael; Robl, Christian","Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid'","Zeitschrift für anorganische und allgemeine Chemie","2018","644","4","205","","10.1002/zaac.201700453","","","0.71073","MoKα","","0.074","0.0286","","0.0569","0.0502","","","","0.6","0.751","0.751","","","","","has coordinates","208345","2020-10-21","18:00:00",""
"1549555","9.1363","0.0001","13.549","0.0001","15.3864","0.0002","90","","90","","90","","1904.65","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O3 S -","- C19 H22 F3 N O3 S -","- C76 H88 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0453","0.0442","","","0.1242","0.1257","","","","","","1.054","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549556","8.5712","0.0003","9.5542","0.0003","12.0362","0.0004","91.908","0.003","103.104","0.003","97.556","0.003","949.62","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0472","0.0447","","","0.118","0.1206","","","","","","1.039","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549557","8.0524","0.0006","10.279","0.0006","21.1646","0.0013","90","","90","","90","","1751.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O3 S -","- C17 H18 F3 N O3 S -","- C68 H72 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","x-ray","0.71073","MoKα","","0.0594","0.0468","","","0.0924","0.0982","","","","","","1.044","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549558","8.5335","0.0006","8.9158","0.0006","15.6189","0.001","94.244","0.002","92.845","0.002","113.418","0.0019","1083.39","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H20 I2 In N O6 -","- C17 H20 I2 In N O6 -","- C34 H40 I4 In2 N2 O12 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0423","","","","0.1112","","","","","","1.447","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549559","7.2953","0.0003","10.6797","0.0009","10.9105","0.0008","71.041","0.007","73.634","0.006","78.807","0.006","766.42","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 I3 In O2 -","- C10 H8 I3 In O2 -","- C20 H16 I6 In2 O4 -","2","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","1.54184","CuKα","","","0.0491","","","","0.0805","","","","","","1.012","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549560","3.8763","0.0005","12.0424","0.0019","26.146","0.004","90","","90","","90","","1220.5","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cl O3 -","- C16 H9 Cl O3 -","- C64 H36 Cl4 O12 -","4","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0661","","","","0.1165","","","","","","0.99","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549561","8.749","0.0006","9.0176","0.0006","12.167","0.0008","92.712","0.0016","100.266","0.0015","92.8365","0.0016","941.85","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 I N O4 -","- C9 H4 I N O4 -","- C36 H16 I4 N4 O16 -","4","2","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0584","","","","0.0953","","","","","","0.995","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549562","5.8131","0.0003","7.6682","0.0004","26.7168","0.0015","90.221","0.002","91.168","0.002","91.44","0.003","1190.29","0.11","173","2","173","","","","","","","","","6","P -1","-P 1","2","betaine sodium iodide trhydrate","<i>catena</i>-Poly[[[bis[2-(trimethylazaniumyl)acetato-κ<i>O</i>]sodium]-di-μ-aqua-[diaquasodium]-di-μ-aqua] diiodide]","","- C5 H17 I N Na O5 -","- C5 H17 I N Na O5 -","- C20 H68 I4 N4 Na4 O20 -","4","2","BV4018","Nazarenko, Alexander Y.","Betaine (trimethylammonioacetate) binary compound with sodium iodide","IUCrData","2018","3","6","x180864","","10.1107/S2414314618008647","","","0.71073","MoKα","","0.0425","0.0288","","","0.047","0.0499","","","","","","1.148","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1549563","37.0489","0.0016","13.3154","0.0007","6.917","0.0004","90","","93.771","0.004","90","","3404.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C152 H128 N32 O24 -","8","2","HB4237","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","(<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one","IUCrData","2018","3","6","x180841","","10.1107/S2414314618008416","","","0.71073","MoKα","","0.1747","0.0756","","","0.2124","0.2667","","","","","","1.029","","","","has coordinates,has Fobs","208416","2020-10-21","18:00:00",""
"1549564","15.5646","0.0019","7.8895","0.0009","15.9608","0.0017","90","","90","","90","","1959.9","0.4","130","2","130","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Compound 6","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Walther, Patrick; Frey, Wolfgang; Naumann, Stefan","Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone","Polymer Chemistry","2018","9","26","3674","","10.1039/C8PY00784E","","","0.71073","MoKα","","0.083","0.0551","","","0.1529","0.1664","","","","","","1.044","","","","has coordinates,has disorder","230961","2020-10-21","18:00:00",""
"1549565","11.60758","0.00019","16.9798","0.0003","22.4892","0.0004","90","","94.829","0.0015","90","","4416.76","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Cl4 Os P2 Si -","- C49 H46 Cl4 Os P2 Si -","- C196 H184 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0651","0.0431","","","0.0906","0.0972","","","","","","1.003","","","","has coordinates","228664","2020-10-21","18:00:00",""
"1549566","13.9889","0.0002","16.453","0.0002","21.3301","0.0003","90","","97.273","0.001","90","","4869.82","0.11","100","0.1","100","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C53 H48 Cl4 Os P2 Si -","- C53 H48 Cl4 Os P2 Si -","- C212 H192 Cl16 Os4 P8 Si4 -","4","1","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","x-ray","1.54184","CuKα","","0.0284","0.0276","","","0.0695","0.07","","","","","","1.034","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549567","11.4227","0.0002","17.2735","0.0003","13.9125","0.0003","90","","102.838","0.0019","90","","2676.46","0.09","100.01","0.1","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H52 Cl8 Os P2 Si -","- C55 H52 Cl8 Os P2 Si -","- C110 H104 Cl16 Os2 P4 Si2 -","2","0.5","","Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Facile synthesis of polycyclic metallaarynes.","Chemical science","2018","9","27","5994","5998","10.1039/c8sc02086h","","","1.54184","CuKα","","0.0466","0.0424","","","0.1003","0.1023","","","","","","1.077","","","","has coordinates,has disorder","228664","2020-10-21","18:00:00",""
"1549568","14.2067","0.0006","15.9799","0.0008","18.6556","0.001","90","","94.05","0.002","90","","4224.6","0.4","150","2","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As Cl F6 N9 O6 S2 -","- C34 H36 As Cl F6 N8 O6 S2 -","- C136 H144 As4 Cl4 F24 N32 O24 S8 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.1031","0.0512","","","0.1096","0.1381","","","","","","1.09","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549569","14.0065","0.0003","15.9167","0.0003","21.8331","0.0005","90","","107.966","0.0013","90","","4630.08","0.17","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino arsenic tristriflate","","- C37 H39 As F9 N9 O9 S3 -","- C37 H39 As F9 N9 O9 S3 -","- C148 H156 As4 F36 N36 O36 S12 -","4","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","1.54178","CuKα","","0.0989","0.0898","","","0.2548","0.2635","","","","","","1.057","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549570","13.0553","0.0005","25.1646","0.0012","14.6359","0.0006","90","","114.619","0.0015","90","","4371.2","0.3","140","","140","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19.5 N7.5 P -","- C25 H19.5 N7.5 P -","- C200 H156 N60 P8 -","8","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0495","0.0385","","","0.0899","0.0988","","","","","","1.094","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549571","13.753","0.007","14.06","0.007","14.321","0.007","109.504","0.013","98.444","0.013","111.998","0.009","2300","2","170","2","170.02","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 F11 N9 O9 P S3 -","- C37 H39 F11 N9 O9 P S3 -","- C74 H78 F22 N18 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","","0.2467","0.1889","","","0.5278","0.569","","","","","","1.083","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549572","13.1877","0.0006","13.3482","0.0007","13.4824","0.0007","79.6653","0.0007","63.0215","0.0006","84.7868","0.0007","2080.63","0.18","193","2","193.15","","","","","","","","","7","P -1","-P 1","2","","tris((1-ethyl-1H-benzo[d]imidazol-2-yl)methyl)amino antimony fluoride bis triflate","","- C36 H39 F7 N9 O6 S2 Sb -","- C36 H39 F7 N9 O6 S2 Sb -","- C72 H78 F14 N18 O12 S4 Sb2 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","x-ray","0.71073","MoKα","K-L~3~","0.0586","0.0434","","","0.1033","0.1125","","","","","","1.039","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549573","10.8599","0.0007","10.9646","0.0008","20.3805","0.0014","81.217","0.002","83.234","0.002","89.295","0.002","2381.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 F9 N10 O9 P S3 -","- C39 H42 F9 N10 O9 P S3 -","- C78 H84 F18 N20 O18 P2 S6 -","2","1","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.094","0.0539","","","0.1264","0.148","","","","","","1.0695","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549574","12.726","0.005","18.899","0.008","20.823","0.008","102.659","0.014","97.475","0.014","99.315","0.014","4750","3","150","","150.01","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C38 H40.5 F9 N9.5 O9 S3 Sb -","- C152 H162 F36 N38 O36 S12 Sb4 -","4","2","","Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil","Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple.","Chemical science","2018","9","26","5837","5841","10.1039/c8sc01682h","","","0.71073","MoKα","","0.0582","0.0368","","","0.0846","0.0993","","","","","","1.0632","","","","has coordinates","228711","2020-10-21","18:00:00",""
"1549575","22.679","0.007","10.176","0.003","21.562","0.006","90","","94.879","0.004","90","","4958","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O2 -","- C27 H28 N4 O2 -","- C216 H224 N32 O16 -","8","1","","Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao","(Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins.","Chemical science","2018","9","28","6085","6090","10.1039/c8sc01882k","","","0.71073","MoKα","","0.0967","0.0444","","","0.0939","0.1222","","","","","","1.009","","","","has coordinates","228625","2020-10-21","18:00:00",""
"1549576","7.4539","0.0005","7.8553","0.0005","17.2286","0.001","90","","90","","90","","1008.78","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","BT4070","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","IUCrData","2018","3","6","x180852","","10.1107/S2414314618008520","","","0.71073","MoKα","","0.052","0.0419","","","0.0907","0.0969","","","","","","1.066","","","","has coordinates","208534","2020-10-21","18:00:00",""
"1549577","7.3405","0.0003","11.1063","0.0004","16.76","0.0007","83.668","0.002","77.493","0.002","78.301","0.002","1303.08","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 I4 N2 O -","- C23 H20 I4 N2 O -","- C46 H40 I8 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0745","0.0507","","","0.0977","0.1044","","","","","","1.155","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549578","7.28","0.0002","10.9585","0.0004","16.0936","0.0006","89.758","0.001","79.735","0.001","78.541","0.001","1237.53","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br2 I2 N2 O -","- C23 H20 Br2 I2 N2 O -","- C46 H40 Br4 I4 N4 O2 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0473","0.0281","","","0.0546","0.0587","","","","","","1.034","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549579","8.0582","0.0003","11.0044","0.0004","17.7067","0.0006","99.618","0.002","91.239","0.002","104.624","0.002","1494.58","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 F7 I2 N3 O6 S2 -","- C24 H16 F7 I2 N3 O6 S2 -","- C48 H32 F14 I4 N6 O12 S4 -","2","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0477","0.0358","","","0.0836","0.0895","","","","","","1.058","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549580","22.337","0.002","12.7364","0.0013","10.9081","0.0011","90","","90","","90","","3103.3","0.5","150","","150","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C24 H16 F6 I2 N2 O6 S2 -","- C24 H16 F6 I2 N2 O6 S2 -","- C96 H64 F24 I8 N8 O24 S8 -","4","0.5","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0609","0.0383","","","0.0783","0.0868","","","","","","1.129","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549581","10.9739","0.0012","17.8839","0.0019","12.1266","0.0012","90","","102.951","0.003","90","","2319.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 F I2 N3 -","- C22 H16 Br2 F I2 N3 -","- C88 H64 Br8 F4 I8 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.061","0.0362","","","0.0739","0.0821","","","","","","1.085","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549582","17.086","0.003","18.092","0.003","13.3174","0.0018","90","","111.458","0.004","90","","3831.3","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 F I4 N3 -","- C36 H44 F I4 N3 -","- C144 H176 F4 I16 N12 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","","0.0684","0.0465","","","0.1124","0.1247","","","","","","1.149","","","","has coordinates,has disorder","228712","2020-10-21","18:00:00",""
"1549583","9.1408","0.0003","18.1854","0.0006","13.7305","0.0005","90","","100.82","0.001","90","","2241.83","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl2 I2 N2 -","- C22 H16 Cl2 I2 N2 -","- C88 H64 Cl8 I8 N8 -","4","1","","Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B.","The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding.","Chemical science","2018","9","26","5828","5836","10.1039/c8sc01973h","","x-ray","0.71073","MoKα","K-L~3~","0.0398","0.0272","","","0.0591","0.0634","","","","","","1.064","","","","has coordinates","228712","2020-10-21","18:00:00",""
"1549584","9.2366","0.0011","10.2045","0.0012","16.1922","0.0018","90","","92.144","0.002","90","","1525.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","HB4241","Moussaif, Ahmed; Ramli, Youssef; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate","IUCrData","2018","3","6","x180892","","10.1107/S2414314618008921","","","0.71073","MoKα","","0.0539","0.0439","","","0.1204","0.1255","","","","","","1.103","","","","has coordinates,has Fobs","208583","2020-10-21","18:00:00",""
"1549585","7.7306","0.0005","16.8048","0.0011","9.3113","0.0006","90","","102.001","0.002","90","","1183.2","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","RZ4025","Missioui, Mohcine; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate","IUCrData","2018","3","6","x180882","","10.1107/S2414314618008829","","","1.54178","CuKα","","0.0334","0.0308","","","0.0802","0.0823","","","","","","1.023","","","","has coordinates,has Fobs","208584","2020-10-21","18:00:00",""
"1549586","13.1301","0.0003","11.9592","0.0002","10.3738","0.0003","90","","112.041","0.003","90","","1509.9","0.07","100","","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloronaphthalen-1-yl tosylate","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","","- C17 H13 Cl O3 S -","- C17 H13 Cl O3 S -","- C68 H52 Cl4 O12 S4 -","4","1","SJ4183","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate","IUCrData","2018","3","6","x180889","","10.1107/S2414314618008891","","","0.71073","MoKα","","0.0326","0.0262","","","0.0703","0.0716","","","","","","1.059","","","","has coordinates,has Fobs","208585","2020-10-21","18:00:00",""
"1549587","12.227","0.0003","5.7229","0.0001","15.9353","0.0005","90","","109.869","0.003","90","","1048.68","0.05","100","","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","","- C24 H20 O6 S2 -","- C24 H20 O6 S2 -","- C48 H40 O12 S4 -","2","0.5","HB4242","Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz","Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate)","IUCrData","2018","3","6","x180890","","10.1107/S2414314618008908","","","0.71073","MoKα","","0.0333","0.0284","","","0.0805","0.0823","","","","","","1.084","","","","has coordinates,has Fobs","208586","2020-10-21","18:00:00",""
"1549588","6.7562","0.0004","7.5182","0.0005","8.7692","0.0005","107.83","0.0018","98.976","0.0017","113.06","0.0018","370.28","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H16 O2 Se -","- C17 H16 O2 Se -","- C17 H16 O2 Se -","1","1","","García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J.","Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case","Catalysis Science & Technology","2018","8","14","3617","","10.1039/C7CY02295F","","","0.71073","MoKα","","0.0198","0.0187","","","0.0573","0.0729","","","","","","1.303","","","","has coordinates","227973","2020-10-21","18:00:00",""
"1549589","10.2514","0.0004","14.6308","0.0006","12.6552","0.0005","90","","92.105","0.004","90","","1896.82","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Br2 Co N3 O2 -","- C15 H23 Br2 Co N3 O2 -","- C60 H92 Br8 Co4 N12 O8 -","4","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.71073","MoKα","","0.0762","0.0477","","","0.0887","0.1036","","","","","","1.104","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549590","6.838","0.0014","13.077","0.003","13.377","0.003","89.44","0.03","78.44","0.03","82.78","0.03","1162.5","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H29 B2 Cl2 Co F8 N5 O -","- C15 H29 B2 Cl2 Co F8 N5 O -","- C30 H58 B4 Cl4 Co2 F16 N10 O2 -","2","1","","Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram","Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex","Catalysis Science & Technology","2018","8","14","3469","","10.1039/C8CY00859K","","","0.63","synchrotron","","0.066","0.046","","","0.1219","0.1304","","","","","","0.97","","","","has coordinates","227972","2020-10-21","18:00:00",""
"1549591","10.664","0.003","10.372","0.002","14.789","0.004","90","","104.778","0.006","90","","1581.7","0.7","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","ethyl (R)-6-methoxy-2-oxo-4-(1-tosyl-1H-indol-2-yl)-3,4-dihydro-2H-naphtho[2,1-e][1,3]oxazine-4-carboxylate","","","- C32 H27 Cl3 N2 O7 S -","- C32 H27 Cl3 N2 O7 S -","- C64 H54 Cl6 N4 O14 S2 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0361","0.0318","","","0.0794","0.0814","","","","","","1.041","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549592","5.8577","0.0016","14.389","0.004","9.621","0.003","90","","94.654","0.006","90","","808.2","0.4","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl (S)-(1-(3-bromophenyl)-2-hydroxy-1-(5-methoxyfuran-2-yl)ethyl)carbamate","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0297","0.0248","","","0.0504","0.0508","","","","","","0.826","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549593","11.4778","0.0015","13.6448","0.0018","36.849","0.005","90","","90","","90","","5771","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-3,3'-Di([1,1':3',1''-terphenyl]-5'-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl bis(dihydrogen phosphate) pyridinium salt","","","- C67 H60 Cl2 N2 O8 P2 -","- C67 H60 Cl2 N2 O8 P2 -","- C268 H240 Cl8 N8 O32 P8 -","4","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0494","0.0374","","","0.0884","0.0944","","","","","","1.017","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549594","12.7831","0.0018","14.6459","0.0016","14.8","0.002","116.231","0.011","101.896","0.013","102.26","0.02","2282.2","0.7","93","2","93","2","","","","","","","","4","P -1","-P 1","2","2'-((Hydroxy(isopropoxy)phosphoryl)oxy)-3-(2,4,6-tricyclohexylphenyl)-[1,1'-binaphthalen]-2-yl dihydrogen phosphate (R/S-Dimer)","","","- C47 H56 O8 P2 -","- C47 H56 O8 P2 -","- C94 H112 O16 P4 -","2","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0538","0.0477","","","0.1472","0.151","","","","","","1.091","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549595","7.8572","0.0013","10.5461","0.0018","14.099","0.002","70.648","0.002","88.911","0.002","85.089","0.003","1098.2","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 F N2 O4 -","- C26 H27 F N2 O4 -","- C52 H54 F2 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0787","0.0527","","","0.1088","0.1202","","","","","","1.052","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549596","7.945","0.003","10.546","0.003","14.045","0.004","70.523","0.004","88.065","0.004","83.805","0.005","1103","0.6","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C52 H56 N4 O8 -","2","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.0906","0.0538","","","0.1188","0.136","","","","","","1.022","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549597","7.6953","0.0009","15.2435","0.0018","18.799","0.002","90","","97.426","0.002","90","","2186.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko","Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization.","Chemical science","2018","9","37","7327","7331","10.1039/c8sc02103a","","","0.71073","MoKα","","0.067","0.045","","","0.0977","0.1057","","","","","","1.026","","","","has coordinates","228660","2020-10-21","18:00:00",""
"1549598","7.5787","0.0007","7.6707","0.0004","2.8836","0.0001","90","","90","","90","","167.635","0.019","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.857 O9.571 Si1.143 -","- Al4.856 O9.57 Si1.144 -","- Al4.856 O9.57 Si1.144 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0384","0.0371","","","0.1028","0.1044","","","","1.12","1.12","1.01","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549599","7.577","0.002","7.6727","0.0018","2.8804","0.001","90","","90","","90","","167.46","0.08","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.832 O9.584 Si1.168 -","- Al4.832 O9.584 Si1.168 -","- Al4.832 O9.584 Si1.168 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0347","0.0312","","","0.0846","0.0885","","","","1.27","1.27","1.08","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549600","7.5768","0.0013","7.676","0.0016","2.8833","0.0012","90","","90","","90","","167.69","0.08","293","","293","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Al4.868 O9.566 Si1.132 -","- Al4.868 O9.566 Si1.132 -","- Al4.868 O9.566 Si1.132 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.0423","0.0374","","","0.1056","0.1105","","","","1.95","1.95","1.44","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549601","7.577","0.002","7.6738","0.0019","2.8823","0.001","90","","90","","90","","167.59","0.08","293","","293","","","","","","","","Sigma Aldrich","3","P b a m","-P 2 2ab","55","Mullite","","","- Al4.853 O9.574 Si1.147 -","- Al4.8528 O9.5728 Si1.1472 -","- Al4.8528 O9.5728 Si1.1472 -","1","0.125","GQ5008","Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon","Exploiting superspace to clarify vacancy and Al/Si ordering in mullite","IUCrJ","2018","5","4","","","10.1107/S2052252518007467","","x-ray","0.7231","synchrotron","","0.031","0.0252","","","0.0916","0.0971","","","","1.37","1.37","1.03","","","","has coordinates","208623","2020-10-21","18:00:00",""
"1549602","13.0184","0.0013","9.7153","0.001","19.986","0.002","90","","104.649","0.005","90","","2445.6","0.4","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(I4F16cb)2(bpe)","rctt-tetrakis-(4-iodo-2,3,5,6-tetrafluorophenyl)cyclobutane, trans-1,2-bis-(4-pyridyl)-ethene","","- C52 H24 F16 I4 N4 -","- C52 H24 F16 I4 N4 -","- C104 H48 F32 I8 N8 -","2","0.5","","Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.","Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization","IUCrJ","2018","5","4","","","10.1107/S2052252518007583","","","0.71073","MoKα","","0.031","0.0198","","","0.0408","0.046","","","","","","1.085","","","","has coordinates,has disorder","208624","2020-10-21","18:00:00",""
"1549603","12.9647","0.0013","10.2219","0.001","19.519","0.01","90","","109.387","0.005","90","","2440.1","1.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(I4F16cb)(tpcb)","rctt-tetrakis-(4-iodo-2,3,5,6-tetrafluorophenyl)cyclobutane, rctt-tetrakis(4-pyridyl)-cyclobutane","","- C52 H24 F16 I4 N4 -","- C52 H24 F16 I4 N4 -","- C104 H48 F32 I8 N8 -","2","0.5","","Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R.","Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization","IUCrJ","2018","5","4","","","10.1107/S2052252518007583","","","0.71073","MoKα","","0.0626","0.033","","","0.0548","0.0627","","","","","","1.043","","","","has coordinates,has disorder","208624","2020-10-21","18:00:00",""
"1549604","9.10074","0.00014","17.7897","0.0003","24.9408","0.0003","90","","97.7826","0.0014","90","","4000.71","0.1","100","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","","- C45 H39 F6 Fe O4 P3 -","- C45 H39 F6 Fe O4 P3 -","- C180 H156 F24 Fe4 O16 P12 -","4","1","HB4240","Ma, Yuzhi; Lindeman, Sergey; Donaldson, William A.","Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate","IUCrData","2018","3","6","x180902","","10.1107/S2414314618009021","","","0.71073","MoKα","","0.0453","0.0335","","","0.0913","0.0945","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","208653","2020-10-21","18:00:00",""
"1549605","11.737","0.0013","8.8719","0.0008","14.3722","0.0016","90","","106.616","0.003","90","","1434.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Diisopropylammonium benzenesulfonate","Diisopropylammonium bis(propan-2-yl)azanium","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","HB4233","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Geiger, David K.","Diisopropylammonium benzenesulfonate","IUCrData","2018","3","6","x180876","","10.1107/S2414314618008763","","","0.71073","MoKa","","0.0689","0.0501","","","0.1359","0.1518","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","208654","2020-10-21","18:00:00",""
"1549606","15.634","0.003","17.716","0.004","21.661","0.004","90","","90","","90","","5999","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0)","","- C28 H30 Mo N2 O4 P2 -","- C28 H30 Mo N2 O4 P2 -","- C224 H240 Mo8 N16 O32 P16 -","8","1","RZ4024","Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent","IUCrData","2018","3","6","x180846","","10.1107/S2414314618008465","","","0.71073","MoKα","","0.0304","0.0216","","","0.0488","0.0503","","","","","","0.917","","","","has coordinates,has Fobs","208655","2020-10-21","18:00:00",""
"1549607","15.0553","0.001","15.7338","0.0012","6.9701","0.0005","90","","99.54","0.004","90","","1628.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C19 H13 F3 N4 -","- C19 H13 F3 N4 -","- C76 H52 F12 N16 -","4","1","HB4239","El Hafi, Mohamed; Boulhaoua, Mohammed; Lahmidi, Sanae; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.","1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","IUCrData","2018","3","6","x180875","","10.1107/S2414314618008751","","","1.54178","CuKα","","0.0813","0.0596","","","0.1332","0.1471","","","","","","1.025","","","","has coordinates,has Fobs","208656","2020-10-21","18:00:00",""
"1549608","8.834","0.0003","18.6849","0.0006","7.6927","0.0003","90","","91.478","0.001","90","","1269.35","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","Ethyl 3-methyl-1-oxo-4<i>H</i>-1λ^4^,4-benzothiazine-2-carboxylate monohydrate","","- C12 H15 N O4 S -","- C12 H15 N O4 S -","- C48 H60 N4 O16 S4 -","4","1","SJ4184","Baryala, Yamna; El Bakri, Youness; Anouar, El Hassane; Zerzouf, Abdelfettahb; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate","IUCrData","2018","3","6","x180887","","10.1107/S2414314618008878","","","1.54178","CuKα","","0.0333","0.0314","","","0.0764","0.0778","","","","","","1.085","","","","has coordinates,has Fobs","208657","2020-10-21","18:00:00",""
"1549609","31.977","0.0019","18.3536","0.0013","14.7633","0.0009","90","","91.413","0.006","90","","8661.8","1","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu3 N10 O15 -","- C28 H18 Cu3 N10 O15 -","- C224 H144 Cu24 N80 O120 -","8","1","","Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis","Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications","Catalysis Science & Technology","2018","8","16","4010","","10.1039/C8CY00579F","","","1.54184","CuKα","","0.1055","0.0777","","","0.1912","0.2179","","","","","","0.946","","","","has coordinates","227970","2020-10-21","18:00:00",""
"1549610","13.0333","0.0006","16.6343","0.0007","19.8726","0.0009","90","","96.392","0.002","90","","4281.6","0.3","106","2","106","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-nickel(II)","","- C51 H59 N2 Ni S -","- C51 H59 N2 Ni S -","- C204 H236 N8 Ni4 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0448","0.0328","","","0.0729","0.0777","","","","","","1.013","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549611","12.686","0.003","19.394","0.005","30.321","0.008","88.294","0.005","80.235","0.005","81.137","0.005","7264","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Triphenylmethylthiolato)-(N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-nickel(II)","","- C55.66667 H72 N2 Ni S -","- C55.6667 H72 N2 Ni S -","- C334 H432 N12 Ni6 S6 -","6","3","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1841","0.0698","","","0.0944","0.1236","","","","","","0.963","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549612","18.558","0.0009","16.822","0.0008","19.0552","0.001","90","","96.441","0.003","90","","5911.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C102 H172 K2 N4 Ni2 O12 S2 -","- C102 H154 K2 N4 Ni2 O12 S2 -","- C204 H308 K4 N8 Ni4 O24 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1786","0.0845","","","0.2132","0.2636","","","","","","1.012","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549613","12.7125","0.0006","22.4934","0.0011","20.0532","0.0012","90","","102.126","0.004","90","","5606.2","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)-nickel(II)-potassium","","- C53 H89 K N4 Ni O6 S -","- C53 H89 K N4 Ni O6 S -","- C212 H356 K4 N16 Ni4 O24 S4 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1259","0.0601","","","0.1175","0.1404","","","","","","0.964","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549614","13.1937","0.0013","13.2978","0.0013","16.6951","0.0016","88.621","0.002","74.52","0.002","88.213","0.002","2821.1","0.5","108","2","108","2","","","","","","","","7","P -1","-P 1","2","","(Sulfido)- (N,N'-bis(2,6-di-isopropylphenyl)-pentane2,4-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C56 H80 K N2 Ni O6 S -","- C56 H80 K N2 Ni O6 S -","- C112 H160 K2 N4 Ni2 O12 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0642","0.0397","","","0.1098","0.1304","","","","","","0.86","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549615","11.847","0.003","13.438","0.003","19.455","0.005","94.052","0.005","95.344","0.006","91.766","0.006","3073.9","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(Thiohyponitrite-κ2-O,S)- (N,N'-bis(2,6-di-isopropylphenyl)-2,2,6,6-tetramethylheptane-3,5-di-iminato)-(1,4,7,10,13,16-hexaoxacyclooctadecane)-nickel(II)-potassium","","- C108.5 H175 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","- C108.5 H154 K2 N8 Ni2 O14 S2 -","1","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1868","0.0906","","","0.2564","0.3121","","","","","","1.017","","","","has coordinates","228808","2020-10-21","18:00:00",""
"1549616","12.115","0.002","11.1281","0.0019","19.686","0.003","90","","106.472","0.002","90","","2545.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","","0.71073","MoKα","","0.1427","0.0517","","","0.1136","0.1508","","","","","","0.926","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549617","9.4322","0.0009","16.5755","0.0016","16.9196","0.0015","90","","90.836","0.003","90","","2645","0.4","296","","295.67","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H23 N O -","- C37 H23 N O -","- C148 H92 N4 O4 -","4","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","x-ray","0.71073","MoKα","","0.1151","0.0596","","","0.1297","0.1581","","","","","","1.028","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549618","8.581","0.002","9.167","0.002","17.575","0.004","89.893","0.006","79.223","0.007","70.216","0.006","1275.1","0.5","292","","291.64","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N O -","- C37 H23 N O -","- C74 H46 N2 O2 -","2","1","","Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei","Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions.","Nanoscale","2018","10","28","13310","13314","10.1039/c8nr02956c","","x-ray","0.71073","MoKα","","0.0825","0.0496","","","0.1137","0.1316","","","","","","0.996","","","","has coordinates","230148","2020-10-21","18:00:00",""
"1549619","6.8489","0.0002","15.7645","0.0005","19.4642","0.0005","90","","90","","90","","2101.54","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 I N2 O3 -","- C24 H23 I N2 O3 -","- C96 H92 I4 N8 O12 -","4","1","","Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon","Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones.","Chemical science","2018","9","30","6368","6373","10.1039/c8sc00913a","","","0.71073","MoKα","","0.0313","0.027","","","0.0602","0.0617","","","","","","1.035","","","","has coordinates","228806","2020-10-21","18:00:00",""
"1549620","19.1685","0.0005","5.7871","0.0003","14.8903","0.0003","90","","90","","90","","1651.78","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Li, Wei; Wollenburg, Marco; Glorius, Frank","Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.","Chemical science","2018","9","29","6260","6263","10.1039/c8sc01869c","","","0.71073","MoKα","","0.0515","0.0445","","","0.0873","0.0915","","","","","","1.091","","","","has coordinates","228623","2020-10-21","18:00:00",""
"1549621","9.3334","0.0015","19.56","0.003","13.636","0.002","90","","94.259","0.005","90","","2482.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0779","0.0465","","","0.1231","0.1448","","","","","","1.036","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549622","13.3069","0.0005","18.6034","0.0009","27.4104","0.0012","90","","102.321","0.002","90","","6629.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H44 N10 O8 Zn -","- C66 H44 N10 O8 Zn -","- C264 H176 N40 O32 Zn4 -","4","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","1.54178","CuKα","","0.0767","0.0625","","","0.1908","0.2004","","","","","","1.096","","","","has coordinates,has disorder","228626","2020-10-21","18:00:00",""
"1549623","10.4399","0.0014","11.3331","0.0015","13.2139","0.0018","100.001","0.002","99.774","0.002","99.056","0.002","1488.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 N6 O7 Zn -","- C33 H22 N6 O7 Zn -","- C66 H44 N12 O14 Zn2 -","2","1","","Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo","Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.","Chemical science","2018","9","28","6150","6155","10.1039/c8sc01485j","","","0.71073","MoKα","","0.0854","0.0506","","","0.1376","0.1717","","","","","","0.996","","","","has coordinates","228626","2020-10-21","18:00:00",""
"1549624","16.408","0.003","8.6188","0.0015","21.365","0.004","90","","97.571","0.003","90","","2995","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl0 N8 O0 S2 Zn -","- C30 H30 N8 S2 Zn -","- C120 H120 N32 S8 Zn4 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0474","0.0353","","","0.1161","0.1243","","","","","","0.956","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549625","18.441","","8.936","","21.809","","90","","94.29","","90","","3583.81","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Ga N9 O3 S2 -","- C30 H30 Ga N9 O3 S2 -","- C120 H120 Ga4 N36 O12 S8 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.226","0.143","","","0.3635","0.3933","","","","","","1.268","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549626","16.9715","0.001","23.6235","0.0015","15.9881","0.001","90","","102.867","0.001","90","","6249.1","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cd Cl0 N8 O0 S2 -","- C30 H30 Cd N8 S2 -","- C240 H240 Cd8 N64 S16 -","8","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0366","0.0281","","","0.0708","0.0743","","","","","","1.06","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549627","17.15","0.02","10.549","0.013","16.45","0.02","90","","101.78","0.03","90","","2913","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O2 S Sn -","- C29 H28 N4 O2 S Sn -","- C116 H112 N16 O8 S4 Sn4 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0422","0.0297","","","0.0745","0.0795","","","","","","0.998","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549628","14.2754","0.0009","6.5831","0.0004","21.5365","0.0013","90","","90","","90","","2023.9","0.2","173","2","173.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","Sodium rubidium disaccharinate dihydrate","Sodium rubidium bis(3-oxo-3<i>H</i>-1,2-benzothiazol-2-ide 1,1-dioxide) tetrahydrate","","- C14 H16 N2 Na O10 Rb S2 -","- C14 H16 N2 Na O10 Rb S2 -","- C56 H64 N8 Na4 O40 Rb4 S8 -","4","0.5","BH4037","Nazarenko, Alexander Y.","Sodium rubidium disaccharinate tetrahydrate","IUCrData","2018","3","6","x180867","","10.1107/S2414314618008672","","","0.71073","MoKα","","0.0389","0.0274","","","0.0628","0.0673","","","","","","1.052","","","","has coordinates,has Fobs","208719","2020-10-21","18:00:00",""
"1549629","12.8973","0.0007","12.5342","0.0006","17.2106","0.0008","90","","98.668","0.002","90","","2750.4","0.2","100","2","100.04","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C48 H86 B Fe K2 N2 O6 P3 -","- C48 H86 B Fe K2 N2 O6 P3 -","- C96 H172 B2 Fe2 K4 N4 O12 P6 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0408","0.0315","","","0.0658","0.069","","","","","","1.021","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549630","11.3464","0.0004","35.5398","0.0014","15.8541","0.0006","90","","90.839","0.001","90","","6392.5","0.4","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H95 B Fe K N2 O10 P3 -","- C64 H95 B Fe K N2 O10 P3 -","- C256 H380 B4 Fe4 K4 N8 O40 P12 -","4","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0593","0.0389","","","0.08","0.0872","","","","","","1.039","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549631","11.3085","0.0005","24.2407","0.0012","37.5101","0.0018","90","","90","","90","","10282.5","0.8","100","2","99.97","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C47 H81 B Fe N3 P3 Si2 -","- C47 H81 B Fe N3 P3 Si2 -","- C376 H648 B8 Fe8 N24 P24 Si16 -","8","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0689","0.0567","","","0.1215","0.1258","","","","","","1.19","","","","has coordinates","228622","2020-10-21","18:00:00",""
"1549632","12.4653","0.0018","13.091","0.003","21.997","0.003","97.411","0.01","95.734","0.004","117.826","0.008","3095","1","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H85 B Fe K N2 O P3 Si -","- C49 H85 B Fe K N2 O P3 Si -","- C98 H170 B2 Fe2 K2 N4 O2 P6 Si2 -","2","1","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.0555","0.0397","","","0.0957","0.1014","","","","","","1.03","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549633","27.577","0.003","15.5573","0.0016","38.526","0.004","90","","100.863","0.001","90","","16232","3","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79.22 H90.92 B2 F24 Fe N P3 -","- C79.215 H90.916 B2 F24 Fe N P3 -","- C633.72 H727.328 B16 F192 Fe8 N8 P24 -","8","2","","Deegan, Meaghan M.; Peters, Jonas C.","Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes.","Chemical science","2018","9","29","6264","6270","10.1039/c8sc02380h","","","0.71073","MoKα","","0.1044","0.0748","","","0.1845","0.1984","","","","","","1.124","","","","has coordinates,has disorder","228622","2020-10-21","18:00:00",""
"1549634","7.8295","0.0007","25.776","0.002","11.1821","0.0011","90","","128.014","0.003","90","","1778","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B10 N -","- C14 H21 B10 N -","- C56 H84 B40 N4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.1213","0.089","","","0.2349","0.2559","","","","","","1.053","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549635","11.4617","0.0004","7.484","0.0003","23.7344","0.0008","90","","96.0865","0.0014","90","","2024.45","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B10 Cl N O -","- C14 H24 B10 Cl N O -","- C56 H96 B40 Cl4 N4 O4 -","4","1","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","1.54178","CuKα","","0.0664","0.0542","","","0.145","0.1569","","","","","","1.034","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549636","7.224","0.0003","24.584","0.0011","11.2382","0.0005","90","","90","","90","","1995.85","0.15","297","2","297","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C18 H22 B10 N -","- C18 H22 B10 N -","- C72 H88 B40 N4 -","4","0.5","","Lyu, Hairong; Quan, Yangjian; Xie, Zuowei","Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles.","Chemical science","2018","9","30","6390","6394","10.1039/c8sc01568f","","","0.71073","MoKα","","0.0542","0.0496","","","0.139","0.1439","","","","","","1.054","","","","has coordinates","228802","2020-10-21","18:00:00",""
"1549637","17.2923","0.0011","17.2923","0.0011","13.9863","0.001","90","","90","","120","","3621.9","0.4","103","2","103","2","","","","","","","","5","R -3","-R 3","148","BP151","","","- C30 H21.45 Cl O0.22 Si -","- C30 H21 Cl O0.225 Si -","- C180 H126 Cl6 O1.35 Si6 -","6","","","Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.","Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster","Chemical Science","2018","","","","","10.1039/C8SC01889H","","","0.71073","MoKα","","0.0704","0.0481","","","0.1166","0.1288","","","","","","1.026","","","","has coordinates","208728","2020-10-21","18:00:00",""
"1549638","10.8826","0.0004","34.7232","0.0014","7.28","0.0003","90","","104.291","0.002","90","","2665.83","0.18","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","BP210","","","- C34 H34 O Si -","- C34 H34 O Si -","- C136 H136 O4 Si4 -","4","1","","Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L.","Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster","Chemical Science","2018","","","","","10.1039/C8SC01889H","","","0.71073","MoKα","","0.0643","0.0551","","","0.1315","0.1373","","","","","","1.078","","","","has coordinates","208728","2020-10-21","18:00:00",""
"1549640","10.118","0.001","14.0353","0.0014","28.194","0.003","90","","90","","90","","4003.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Br N O3 -","- C49 H48 Br N O3 -","- C196 H192 Br4 N4 O12 -","4","1","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0714","0.0537","","","0.1295","0.1392","","","","","","1.04","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549641","14.151","0.003","14.717","0.004","16.184","0.003","90","","111.316","0.006","90","","3139.9","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H40 N2 O4 -","- C35 H41 N2 O4 -","- C140 H164 N8 O16 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0722","0.0679","","","0.1771","0.1835","","","","","","0.951","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549642","11.571","0.003","25.09","0.006","11.915","0.004","90","","90","","90","","3459.1","1.7","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 N2 O6 S -","- C36 H43 N2 O6 S -","- C144 H172 N8 O24 S4 -","4","2","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.128","0.0701","","","0.1512","0.1747","","","","","","0.933","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549643","24.731","0.005","14.057","0.003","25.496","0.005","90","","112.797","0.004","90","","8171","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C138 H132 Dy10 N32 O54 P4 -","- C138 H132 Dy10 N32 O54 P4 -","- C276 H264 Dy20 N64 O108 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.13","0.0935","","","0.2373","0.2675","","","","","","1.086","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549644","24.653","0.003","14.5645","0.0019","26.067","0.003","90","","112.969","0.003","90","","8617.5","1.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1733","0.1021","","","0.2161","0.2725","","","","","","1.004","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549645","24.6145","0.0016","14.5657","0.0011","26.0805","0.0018","90","","112.968","0.002","90","","8609.3","1.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H148 Dy10 N32 O66 P4 -","- C134 H128 Dy10 N32 O66 P4 -","- C268 H256 Dy20 N64 O132 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.1247","0.0832","","","0.1761","0.2017","","","","","","1.047","","","","has coordinates,has disorder","228803","2020-10-21","18:00:00",""
"1549646","25.525","0.006","14.312","0.004","25.318","0.006","90","","111.413","0.005","90","","8611","4","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C134 H112 Dy10 N32 O50 P4 -","- C134 H116 Dy10 N32 O50 P4 -","- C268 H232 Dy20 N64 O100 P8 -","2","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.2614","0.1482","","","0.2886","0.3499","","","","","","1.042","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549647","26.7135","0.0007","26.7135","0.0007","71.325","0.004","90","","90","","120","","44079","3","123","2","123","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C140 H132 Cl6 Dy10 N32 O52 P4 -","- C1260 H1188 Cl54 Dy90 N288 O468 P36 -","9","0.5","","Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min","Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate.","Chemical science","2018","9","30","6424","6433","10.1039/c8sc01228h","","","0.71073","MoKα","","0.0755","0.0617","","","0.1319","0.1459","","","","","","0.987","","","","has coordinates","228803","2020-10-21","18:00:00",""
"1549648","33.833","0.003","18.7022","0.0013","36.604","0.004","90","","111.908","0.0015","90","","21489","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C70 H120 Cu13 F6 N6 O8 P S12 -","- C560 H960 Cu104 F48 N48 O64 P8 S96 -","8","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.2242","0.1473","","","0.3014","0.3241","","","","","","1.114","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549649","18.2449","0.0013","23.218","0.0015","23.3841","0.0017","90","","90","","90","","9905.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Cu12 N6 O8 S13 -","- C70 H120 Cu12 N6 O8 S13 -","- C280 H480 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1096","0.0717","","","0.182","0.2124","","","","","","1.069","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549650","21.8103","0.0005","22.977","0.0006","22.0395","0.0006","90","","90","","90","","11044.8","0.5","100","2","100","2","","","","","","","","9","P n n a","-P 2a 2bc","52","","","","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 -","- C340 H408 Cl2.8 Cu49.2 F120 N24 O4 P4 S48 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0508","0.045","","","0.1084","0.1122","","","","","","1.099","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549651","17.6501","0.0006","19.8146","0.0006","32.8484","0.0011","86.5157","0.0009","89.7691","0.0009","75.775","0.0008","11114.5","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 -","- C350 H524 Cl4 Cu48 F24 N24 O2 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0893","0.0664","","","0.1885","0.2022","","","","","","1.107","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549652","17.7551","0.0015","19.6625","0.0017","32.767","0.003","85.8425","0.0017","85.698","0.0017","76.1094","0.0016","11055.9","1.7","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H128 Br Cu12 F6 N6 P S12 -","- C86 H128 Br Cu12 F6 N6 P S12 -","- C344 H512 Br4 Cu48 F24 N24 P4 S48 -","4","2","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.17","0.0806","","","0.2095","0.2652","","","","","","1.047","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549653","31.396","0.003","19.8294","0.0017","33.181","0.003","90","","97.8261","0.0017","90","","20465","3","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C132 H234 Cl5 Cu24 F6 N12 O12 P S24 -","- C528 H936 Cl20 Cu96 F24 N48 O48 P4 S96 -","4","0.5","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1563","0.0997","","","0.2132","0.2334","","","","","","1.015","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549654","19.1023","0.0009","23.8001","0.0011","24.5421","0.0012","90","","90","","90","","11157.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H128 Cu12 N6 O8 S13 -","- C74 H128 Cu12 N6 O8 S13 -","- C296 H512 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0592","0.049","","","0.1406","0.15","","","","","","1.043","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549655","10.175","0.002","16.218","0.003","16.588","0.003","84.402","0.006","81.108","0.007","76.3","0.007","2622.2","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Fe N5 O4 S2 -","- C52 H62 Fe N5 O4 S2 -","- C104 H124 Fe2 N10 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","x-ray","0.71073","MoKα","","0.1327","0.0961","","","0.2401","0.2653","","","","","","1.041","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549656","17.4061","0.0012","10.7648","0.0008","31.052","0.002","90","","91.3044","0.0009","90","","5816.8","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H87 Co N6 O4.5 S2 -","- C61.5 H87 Co N6 O4.875 S2 -","- C246 H348 Co4 N24 O19.5 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0888","0.0718","","","0.1912","0.2053","","","","","","1.046","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549657","16.1329","0.0011","27.6083","0.0019","13.2048","0.0009","90","","105.613","0.0008","90","","5664.4","0.7","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H72 Ga N5 O6 S2 -","- C50 H72 Ga N5 O6 S2 -","- C200 H288 Ga4 N20 O24 S8 -","4","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0762","0.0624","","","0.1769","0.1888","","","","","","1.051","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549658","18.006","0.002","18.271","0.002","18.568","0.002","110.972","0.0012","109.602","0.0013","95.477","0.0013","5209.6","1","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 Co N5 O5 S2 -","- C56 H70 Co N5 O5 S2 -","- C224 H280 Co4 N20 O20 S8 -","4","2","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1096","0.079","","","0.2105","0.2437","","","","","","1.009","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549659","9.4615","0.0009","18.3994","0.0018","18.765","0.0019","107.605","0.0012","100.024","0.0012","93.8094","0.0012","3041.4","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H93 Fe N5 O6 S2 -","- C59 H93 Fe N5 O6 S2 -","- C118 H186 Fe2 N10 O12 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.0995","0.0785","","","0.2149","0.2349","","","","","","1.032","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549660","10.6709","0.0011","17.4933","0.0018","17.8715","0.0018","113.478","0.0012","98.8759","0.0012","91.3574","0.0013","3009.9","0.5","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H82 Fe N6 O4 S2 -","- C60 H82 Fe N6 O4 S2 -","- C120 H164 Fe2 N12 O8 S4 -","2","1","","Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity.","Chemical science","2018","9","31","6540","6547","10.1039/c7sc05445a","","","0.71073","MoKα","","0.1044","0.0895","","","0.2428","0.2597","","","","","","1.036","","","","has coordinates,has disorder","228809","2020-10-21","18:00:00",""
"1549663","9.3819","0.0002","10.3076","0.0002","10.6318","0.0003","90.7648","0.0007","114.212","0.0009","100.138","0.001","918.87","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J.","Photocatalytic reverse polarity Povarov reaction.","Chemical science","2018","9","32","6653","6658","10.1039/c8sc01704b","","","0.71073","MoKα","","0.0449","0.0376","","0.0982","0.0923","0.0982","","","","","","1.0045","","","","has coordinates","228670","2020-10-21","18:00:00",""
"1549664","14.898","0.002","14.878","0.002","8.4007","0.0013","90","","96.78","0.002","90","","1849","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","SJ4186","Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef","4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one","IUCrData","2018","3","7","x180934","","10.1107/S2414314618009343","","","0.71073","MoKα","","0.0502","0.041","","","0.1098","0.1139","","","","","","1.071","","","","has coordinates,has Fobs","208906","2020-10-21","18:00:00",""
"1549665","5.9642","0.0006","17.7004","0.0017","11.3963","0.0011","90","","100.695","0.001","90","","1182.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","VM4036","El Ghayati, Lhoussaine; Ramli, Youssef; Moussaif, Ahmed; Koubachi, Jamal; Taha, Mohamed Labd; Essassi, El Mokhtar; Mague, Joel T.","2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine","IUCrData","2018","3","7","x180953","","10.1107/S2414314618009537","","","0.71073","MoKα","","0.0616","0.0425","","","0.1027","0.1084","","","","","","0.973","","","","has coordinates,has Fobs","208907","2020-10-21","18:00:00",""
"1549666","5.7029","0.0002","4.0346","0.0001","28.9081","0.001","90","","90.751","0.003","90","","665.09","0.04","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","","- C17 H12 O4 -","- C17 H12 O4 -","- C34 H24 O8 -","2","1","BH4038","Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel","2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate","IUCrData","2018","3","7","x180927","","10.1107/S2414314618009276","","","1.54184","CuKα","","0.0312","0.0297","","","0.0783","0.0794","","","","","","1.122","","","","has coordinates,has Fobs","208908","2020-10-21","18:00:00",""
"1549667","9.8377","0.0011","7.07","0.0008","24.268","0.003","90","","100.12","0.001","90","","1661.6","0.3","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[(μ~5~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)(μ~3~-<i>cis</i>-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","","- C16 H16 Cd2 O8 -","- C16 H16 Cd2 O8 -","- C64 H64 Cd8 O32 -","4","1","LH4036","LaDuca, Andrew R.; LaDuca, Robert L.","Poly[(μ5-cis-cyclohex-4-ene-1,2-dicarboxylato)(μ3-cis-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)]","IUCrData","2018","3","7","","","10.1107/S2414314618009240","","","0.71073","MoKα","","0.0469","0.0367","","","0.0849","0.0914","","","","","","1.074","","","","has coordinates,has Fobs","208909","2020-10-21","18:00:00",""
"1549668","33.739","0.003","33.739","0.003","26.116","0.005","90","","90","","120","","25746","6","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C64 H48 Br2 N2 Ni -","- C64 H48 Br2 N2 Ni -","- C1152 H864 Br36 N36 Ni18 -","18","1","","Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle","Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization","Polymer Chemistry","2018","9","30","4143","","10.1039/C8PY00725J","","","0.71073","MoKα","","0.1487","0.0711","","","0.1487","0.1702","","","","","","1.036","","","","has coordinates,has disorder","230967","2020-10-21","18:00:00",""
"1549669","17.9769","0.0015","12.1378","0.0011","29.0552","0.0018","90","","116.588","0.004","90","","5669.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Br2 Cl2 N2 Ni -","- C67 H54 Br2 Cl2 N2 Ni -","- C268 H216 Br8 Cl8 N8 Ni4 -","4","1","","Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle","Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization","Polymer Chemistry","2018","9","30","4143","","10.1039/C8PY00725J","","","0.71073","MoKα","","0.1038","0.045","","","0.0921","0.1073","","","","","","0.935","","","","has coordinates,has disorder","230967","2020-10-21","18:00:00",""
"1549670","10.3695","0.0013","6.0922","0.0008","11.4055","0.0015","90","","98.355","0.002","90","","712.87","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","","Dolai, Malay; Saha, Urmila; Das, Avijit Kumar; Suresh Kumar, Gopinatha","Single sensors for multiple analytes employing fluorometric differentiation for Cr3+ and Al3+ in semi-aqueous medium with bio-activity and theoretical aspects","Analytical Methods","2018","10","33","4063","","10.1039/C8AY01080C","","","0.71073","MoKα","","0.0437","0.0405","","","0.1134","0.1172","","","","","","1.048","","","","has coordinates","227952","2020-10-21","18:00:00",""
"1549671","15.9653","0.0003","17.691","0.0004","18.2258","0.0005","61.811","0.002","88.11","0.002","64.125","0.002","3983.8","0.2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","- C110 H82 Cu4 N2 O24 -","1","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0496","0.0406","","","0.1124","0.1174","","","","","","1.032","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549672","18.5382","0.0015","25.36","0.0016","19.6509","0.0016","90","","116.08","0.01","90","","8297.8","1.3","97","","97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C152 H164 Cu4 O34 -","- C152 H164 Cu4 O34 -","- C304 H328 Cu8 O68 -","2","0.5","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0635","0.0468","","","0.1223","0.1301","","","","","","1.028","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549673","17.9146","0.0002","18.0902","0.0003","27.6891","0.0003","77.345","0.001","83.125","0.001","61.947","0.001","7725.35","0.19","92","","92","","","","","","","","","5","P -1","-P 1","2","","","","- C108.67 H59 N O24 Rh4 -","- C108.667 H59 N O24 Rh4 -","- C217.333 H118 N2 O48 Rh8 -","2","1","","Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei","Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.","Chemical science","2018","9","31","6463","6469","10.1039/c8sc02263a","","x-ray","0.71073","MoKα","","0.0687","0.0568","","","0.1585","0.1693","","","","","","1.035","","","","has coordinates,has disorder","228810","2020-10-21","18:00:00",""
"1549674","11.5219","0.0006","14.2321","0.0007","14.7033","0.0007","72.201","0.002","73.469","0.002","73.647","0.002","2150.18","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","","- C25 H20 N2 O5 -","- C25 H20 N2 O5 -","- C100 H80 N8 O20 -","4","2","HB4244","Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one","IUCrData","2018","3","7","x180962","","10.1107/S2414314618009628","","","0.71073","MoKα","","0.067","0.0439","","","0.1057","0.1215","","","","","","1.016","","","","has coordinates,has Fobs","208969","2020-10-21","18:00:00",""
"1549675","23.5234","0.001","10.5928","0.0004","23.4895","0.0013","90","","90","","90","","5853.1","0.5","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","","- C17 H13 N5 O -","- C17 H13 N5 O -","- C272 H208 N80 O16 -","16","4","HB4243","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M.","2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole","IUCrData","2018","3","7","x180966","","10.1107/S2414314618009665","","","0.71073","MoKα","","0.0946","0.052","","","0.1193","0.145","","","","","","1.058","","","","has coordinates,has Fobs","208970","2020-10-21","18:00:00",""
"1549676","12.8157","0.0008","8.8179","0.0005","15.3168","0.0009","90","","106.818","0.002","90","","1656.88","0.17","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 N7 Ni O9 -","- C10 H24 N7 Ni O9 -","- C40 H96 N28 Ni4 O36 -","4","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0231","0.0206","","","0.0531","0.0543","","","","","","1.063","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549677","7.371","0.005","8.496","0.004","9.08","0.005","89.163","0.003","76.951","0.005","81.894","0.004","548.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H26 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","- C10 H24 Co0.9 N9 Ni0.1 O15 -","1","0.5","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0408","0.0355","","","0.1008","0.118","","","","","","1.187","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549678","7.4549","0.0013","9.0814","0.0016","16.935","0.003","88.505","0.007","81.132","0.007","76.008","0.007","1099.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 N9 Ni O15 -","- C10 H26 N9 Ni O15 -","- C20 H52 N18 Ni2 O30 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0549","0.0337","","","0.0878","0.1241","","","","","","1.1","","","","has coordinates","228807","2020-10-21","18:00:00",""
"1549679","7.59","0.06","8.72","0.07","15.75","0.12","83.72","0.09","81.37","0.09","80.39","0.11","1012","14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H24 Cl N6 Ni O4 S2 -","- C12 H24 Cl N6 Ni O4 S2 -","- C24 H48 Cl2 N12 Ni2 O8 S4 -","2","1","","Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P.","Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes.","Chemical science","2018","9","31","6564","6571","10.1039/c7sc04482h","","","0.71073","MoKα","","0.0983","0.0651","","","0.1423","0.1587","","","","","","1.017","","","","has coordinates,has disorder","228807","2020-10-21","18:00:00",""
"1549680","22.4712","0.0007","22.4712","0.0007","62.0494","0.0018","90","","90","","120","","27134.4","1.4","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C288 H378 Cd24 Cl8 N16 O82 P6 S24 -","- C285 H306 Cd24 Cl8 N15 O81 P6 S24 -","- C855 H918 Cd72 Cl24 N45 O243 P18 S72 -","3","0.166667","","Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping","Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.","Nanoscale","2018","10","30","14448","14454","10.1039/c8nr03474e","","","0.71073","MoKα","","0.0557","0.0491","","","0.1381","0.1435","","","","","","1.047","","","","has coordinates,has disorder","230155","2020-10-21","18:00:00",""
"1549681","32.799","0.0015","19.0653","0.0008","31.1251","0.0013","90","","114.228","0.002","90","","17748.9","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H108 Cd4 N2 O11 S8 -","- C88 H88 Cd4 N2 O11 S8 -","- C704 H704 Cd32 N16 O88 S64 -","8","1","","Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping","Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity.","Nanoscale","2018","10","30","14448","14454","10.1039/c8nr03474e","","","0.71073","MoKα","","0.0609","0.0478","","","0.1308","0.1423","","","","","","1.024","","","","has coordinates,has disorder","230155","2020-10-21","18:00:00",""
"1549682","13.2969","0.0004","22.3943","0.0005","25.1034","0.0006","90","","90","","90","","7475.2","0.3","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl9 N7 O8 -","- C72 H72 Cl9 N7 O8 -","- C288 H288 Cl36 N28 O32 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","","1.54178","CuKα","","0.0733","0.062","","","0.1603","0.1709","","","","","","1.033","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549683","9.7198","0.0006","18.6592","0.0011","14.0802","0.0012","90","","90.161","0.007","90","","2553.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl3 N8 O5 -","- C53 H53 Cl3 N8 O5 -","- C106 H106 Cl6 N16 O10 -","2","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0884","0.0614","","","0.1542","0.1719","","","","","","1.034","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549684","15.5782","0.0006","18.4753","0.0005","24.4315","0.0007","90","","91.976","0.003","90","","7027.5","0.4","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H87.5 N8 O11.75 -","- C72 H87.5 N8 O11.75 -","- C288 H350 N32 O47 -","4","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.1089","0.0579","","","0.1297","0.1572","","","","","","0.981","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549685","22.0413","0.0003","23.2593","0.0004","25.4959","0.0005","90","","90","","90","","13070.9","0.4","150.02","0.1","150.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.79 H77.17 N7 O10.4 -","- C70.7915 H77.375 N7 O10.396 -","- C566.332 H619 N56 O83.168 -","8","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1617","0.1757","","","","","","1.015","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549686","10.5967","0.0004","21.5835","0.0008","28.6986","0.0006","90","","90","","90","","6563.8","0.4","150.06","0.1","150.06","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.57 H83.27 N7 O9.57 -","- C70.568 H83.272 N7 O9.568 -","- C282.272 H333.088 N28 O38.272 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0806","0.0687","","","0.1928","0.2035","","","","","","1.061","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549687","25.043","0.004","10.3564","0.0018","8.256","0.002","90","","90","","90","","2141.2","0.7","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,14-dibromo-5,10-diphenyltripyrrin","1,14-dibromo-5,10-diphenyltripyrrin","","- C26 H17 Br2 N3 -","- C26 H17 Br2 N3 -","- C104 H68 Br8 N12 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.017","0.0158","","","0.0411","0.0414","","","","","","1.01","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549688","14.7058","0.0008","15.449","0.0007","16.6352","0.0009","90.453","0.004","101.803","0.005","113.116","0.005","3386","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","1,14-bis(p-methoxyanilino)-5,10-diphenyltripyrrin","1,14-bis(p-methoxyanilino)-5,10-diphenyltripyrrin","","- C81 H67 Cl3 N10 O4 -","- C81 H67 Cl3 N10 O4 -","- C162 H134 Cl6 N20 O8 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1974","0.1689","","","0.4201","0.437","","","","","","1.111","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549689","10.1411","0.0005","25.4006","0.0011","12.1107","0.0006","90","","94.978","0.005","90","","3107.8","0.3","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,14-bis(N-methylanilino)-5,10-diphenyltripyrrin","1,14-bis(N-methylanilino)-5,10-diphenyltripyrrin","","- C40 H33 N5 -","- C40 H33 N5 -","- C160 H132 N20 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1254","0.0593","","","0.1162","0.1406","","","","","","1.012","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549690","21.584","0.003","14.4183","0.0019","25.314","0.003","90","","94.247","0.004","90","","7856.2","1.8","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","","- C47.5 H49 Cl N5 -","- C47.5 H49 Cl N5 -","- C380 H392 Cl8 N40 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0499","0.0418","","","0.1089","0.1139","","","","","","1.054","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549691","11.495","0.004","11.813","0.004","16.576","0.007","90.499","0.009","110.07","0.012","105.303","0.009","2026.9","1.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","","- C52 H45 N5 O2 -","- C52 H45 N5 O2 -","- C104 H90 N10 O4 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0584","0.0416","","","0.1017","0.1104","","","","","","1.025","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549692","12.9577","0.0002","14.3835","0.0002","20.7824","0.0005","88.275","0.002","83.194","0.002","84.955","0.001","3830.41","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","1,14-bis(m-bis(trifluoromethyl)phenyl)-5,10-diphenyltripyrrin","1,14-bis(m-bis(trifluoromethyl)phenyl)-5,10-diphenyltripyrrin","","- C85 H52 Cl2 F24 N10 -","- C85.0003 H52.0006 Cl2.0006 F24 N10 -","- C170.001 H104.001 Cl4.0012 F48 N20 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1478","0.1391","","","0.402","0.4053","","","","","","1.073","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549693","20.794","0.004","13.875","0.002","25.322","0.005","90","","102.958","0.003","90","","7120","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","","- C43 H34 F6 N5 -","- C43 H27 F6 N5 -","- C344 H216 F48 N40 -","8","2","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0983","0.064","","","0.164","0.1861","","","","","","1.025","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1549694","18.523","0.004","9.319","0.002","19.109","0.004","90","","95.74","0.005","90","","3282","1.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,14-diphenyl-5,10-diphenyltripyrrin","1,14-diphenyl-5,10-diphenyltripyrrin","","- C40 H37 N5 O2 -","- C40 H37 N5 O2 -","- C160 H148 N20 O8 -","4","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0822","0.0457","","","0.1041","0.1228","","","","","","1.032","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549695","12.176","0.01","12.713","0.014","13.64","0.009","99.304","0.018","104.311","0.008","115.26","0.03","1762","3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","1,14-bis(mesitylanilino)-5,10-diphenyltripyrrin","","- C44 H41 N5 -","- C44 H41 N5 -","- C88 H82 N10 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0616","0.0408","","","0.102","0.1113","","","","","","1.004","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549696","13.751","0.004","15.095","0.004","26.536","0.006","90","","100.513","0.004","90","","5416","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-anilino-14-bromo-5,10-diphenyltripyrrin","1-anilino-14-bromo-5,10-diphenyltripyrrin","","- C33.5 H26 Br N4 O0.5 -","- C33.5 H26 Br N4 O0.5 -","- C268 H208 Br8 N32 O4 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0707","0.0421","","","0.0932","0.1069","","","","","","1.001","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549697","13.025","0.003","14.1499","0.0019","18.8806","0.0019","87.297","0.014","73.304","0.015","82.748","0.017","3306.2","1","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","1,14-bis(p-trifluoromethylphenyl)-5,10-diphenyltripyrrin","","- C40 H27 F6 N5 -","- C40 H27 F6 N5 -","- C160 H108 F24 N20 -","4","2","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0435","0.0367","","","0.0969","0.1","","","","","","1.048","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1549698","50.519","0.007","50.519","0.007","13.4259","0.0019","90","","90","","120","","29675","7","93","2","93","2","","","","","","","","4","R -3","-R 3","148","1,14-dianilino-5,10-diphenyltripyrrin","1,14-dianilino-5,10-diphenyltripyrrin","","- C79.98 H59 Cl3 N10 -","- C79.98 H59 Cl3 N10 -","- C1439.64 H1062 Cl54 N180 -","18","","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.1213","0.0738","","","0.188","0.2208","","","","","","1.004","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549699","6.5341","0.0012","12.836","0.002","20.895","0.003","106.223","0.012","90.002","0.015","91.44","0.02","1682.1","0.5","93","2","93","2","","","","","","","","3","P -1","-P 1","2","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","1,14-bis(1-naphthylanilino)-5,10-diphenyltripyrrin","","- C46 H33 N5 -","- C46 H33 N5 -","- C92 H66 N10 -","2","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54187","CuKα","","0.0543","0.0411","","","0.1122","0.118","","","","","","1.011","","","","has coordinates","209087","2020-10-21","18:00:00",""
"1549700","30.1086","0.0003","31.9945","0.0004","46.8128","0.0007","90","","90","","90","","45095.2","1","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","1,14-bis(m-di-t-butylphenyl)-5,10-diphenyltripyrrin","","- C252 H300 N20 -","- C252 H300 N20 -","- C2016 H2400 N160 -","8","1","","Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro","Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins","Chemical Science","2018","","","","","10.1039/C8SC02739K","","","1.54184","CuKα","","0.1283","0.0793","","","0.2166","0.2596","","","","","","1.013","","","","has coordinates,has disorder","209087","2020-10-21","18:00:00",""
"1549701","9.6998","0.0006","20.0864","0.0013","13.8561","0.0009","90","","107.551","0.0015","90","","2574","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C34 H30 Cl N O -","- C34 H30 Cl N O -","- C136 H120 Cl4 N4 O4 -","4","1","","Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi","A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","9","1157","1168","10.1039/c7pp00453b","","","0.71075","MoKα","","0.1372","0.078","","","0.2213","0.2827","","","","","","1.144","","","","has coordinates","230897","2020-10-21","18:00:00",""
"1549702","7.3167","0.0002","15.5894","0.0004","15.5627","0.0003","90","","101.82","0.002","90","","1737.49","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","5,5-Diphenyl-2-sulfanylideneimidazolidin-4-one dimethyl sulfoxide monosolvate","","- C17 H18 N2 O2 S2 -","- C17 H18 N2 O2 S2 -","- C68 H72 N8 O8 S8 -","4","1","HB4245","Aziz, Hamid; Saeed, Aamer; Simpson, Jim","5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate","IUCrData","2018","3","7","x181010","","10.1107/S2414314618010106","","","1.54184","CuKα","","0.0435","0.0359","","","0.0872","0.0932","","","","","","1.065","","","","has coordinates,has Fobs","209099","2020-10-21","18:00:00",""
"1549703","11.4283","0.0018","9.2294","0.0015","12.3632","0.0019","90","","96.89","0.002","90","","1294.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","HB4246","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one","IUCrData","2018","3","7","x181011","","10.1107/S2414314618010118","","","0.71073","MoKα","","0.0886","0.0539","","","0.1417","0.1522","","","","","","0.931","","","","has coordinates,has disorder,has Fobs","209100","2020-10-21","18:00:00",""
"1549704","8.0941","0.0003","43.971","0.002","8.3622","0.0005","90","","90","","90","","2976.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H26 N O4 Sb -","- C14 H26 N O4 Sb -","- C112 H208 N8 O32 Sb8 -","8","1","","Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.","Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution.","Chemical communications (Cambridge, England)","2018","54","64","8849","8852","10.1039/c8cc05187a","","","0.71073","MoKα","","0.0413","0.0394","","","0.1081","0.1093","","","","","","1.134","","","","has coordinates,has disorder","228226","2020-10-21","18:00:00",""
"1549705","13.2989","0.0003","13.2989","0.0003","17.4417","0.0006","90","","90","","90","","3084.75","0.14","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H60 B F24 Fe P4 -","- C52 H60 B F24 Fe P4 -","- C104 H120 B2 F48 Fe2 P8 -","2","0.25","","Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E.","Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state.","Chemical science","2018","9","37","7362","7369","10.1039/c8sc01841c","","","0.71073","MoKα","","0.0596","0.0466","","","0.0997","0.1067","","","","","","1.042","","","","has coordinates,has disorder","228659","2020-10-21","18:00:00",""
"1549706","11.268","0.002","16.335","0.003","9.5163","0.0019","90","","114.91","0.03","90","","1588.6","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin","Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.","Chemical science","2018","9","33","6839","6843","10.1039/c8sc02101e","","","0.71073","MoKα","","0.083","0.0568","","","0.1233","0.1393","","","","","","1.072","","","","has coordinates","228683","2020-10-21","18:00:00",""
"1549707","12.7848","0.0008","13.0223","0.0008","13.1304","0.0009","93.792","0.003","92.468","0.003","90.347","0.003","2179.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Fe(IV)-nitroxyl","[Fe(NO)(TAML)]-","","- C47 H52 Fe N5 O6 P -","- C47 H52 Fe N5 O6 P -","- C94 H104 Fe2 N10 O12 P2 -","2","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.0423","0.0348","","","0.0874","0.0938","","","","","","1.027","","","","has coordinates","228847","2020-10-21","18:00:00",""
"1549708","18.404","0.004","18.521","0.004","17.725","0.003","90","","102.745","0.003","90","","5893","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe(III)(NO2)(TAML)","Fe(III)-nitrito","","- C51 H94 Fe N7 O6 -","- C51 H94 Fe N7 O6 -","- C204 H376 Fe4 N28 O24 -","4","1","","Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo","A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization.","Chemical science","2018","9","34","6952","6960","10.1039/c8sc01962b","","","0.71073","MoKα","","0.1091","0.0819","","","0.2515","0.2745","","","","","","1.063","","","","has coordinates,has disorder","228847","2020-10-21","18:00:00",""
"1549709","11.0216","0.0004","14.4762","0.0005","14.5765","0.0006","83.804","0.001","85.851","0.001","69.748","0.001","2167.64","0.14","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 F12 N7 P2 Ru -","- C39 H33 F12 N7 P2 Ru -","- C78 H66 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0305","0.0298","","","0.0806","0.0813","","","","","","1.028","","","","has coordinates,has disorder","228669","2020-10-21","18:00:00",""
"1549710","11.9502","0.0004","13.3979","0.0004","13.5014","0.0004","82.904","0.001","83.437","0.001","79.213","0.001","2097.98","0.11","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 F12 N7 P2 Ru -","- C39 H29 F12 N7 P2 Ru -","- C78 H58 F24 N14 P4 Ru2 -","2","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.05","0.0473","","","0.1275","0.1296","","","","","","1.064","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549711","18.547","0.0004","23.5958","0.0006","17.833","0.0004","90","","119.975","0.001","90","","6760.4","0.3","150","2","150.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H25 F3 N4 O2 P0.5 Ru -","- C30 H25 F3 N4 O2 P0.5 Ru -","- C240 H200 F24 N32 O16 P4 Ru8 -","8","1","","Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia","New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window.","Chemical science","2018","9","32","6711","6720","10.1039/c8sc02094a","","","0.71073","MoKα","","0.0456","0.0402","","","0.0983","0.102","","","","","","1.097","","","","has coordinates","228669","2020-10-21","18:00:00",""
"1549712","9.2108","0.0008","9.4525","0.0008","29.308","0.003","87.928","0.002","83.132","0.001","71.201","0.001","2398.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H58 Cl N8 O8 -","- C42 H79 Cl N2 O8 -","- C84 H158 Cl2 N4 O16 -","2","1","","Chen, Xiao-Xiao; Liu, Qi; Guo, Yan; Yan, Hui; Li, Jing; Lv, Dong-Mei; Zhang, Jun-Hong; Liu, Min; Yao, Chun-Hong; Wei, Xi-Lian","Effects of additives on the viscoelastic responses of cationic gemini surfactant solutions.","Soft matter","2018","14","32","6696","6707","10.1039/c8sm01268g","","","0.71073","MoKα","","0.2698","0.1075","","","0.2672","0.3444","","","","","","0.944","","","","has coordinates","230974","2020-10-21","18:00:00",""
"1549713","9.7187","0.0004","11.2496","0.0005","21.8708","0.0007","88.401","0.003","83.848","0.003","64.446","0.004","2144.39","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Mn0.5 N6 O14 S2 -","- C42 H46 Mn0.5 N6 O14 S2 -","- C84 H92 Mn N12 O28 S4 -","2","1","","Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel","Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs)","IUCrJ","2018","5","5","","","10.1107/S2052252518007856","","","1.54184","CuKα","","0.0984","0.0609","","","0.1516","0.1742","","","","","","1.012","","","","has coordinates,has disorder","209167","2020-10-21","18:00:00",""
"1549714","9.265","0.0002","10.3523","0.0002","36.0698","0.0008","90","","90","","90","","3459.6","0.13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","","- C22 H15 N O2 S -","- C22 H15 N O2 S -","- C176 H120 N8 O16 S8 -","8","1","SJ4187","Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen","3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one","IUCrData","2018","3","7","x181019","","10.1107/S2414314618010192","","","0.71073","MoKα","","0.0799","0.0463","","","0.0907","0.1046","","","","","","1.061","","","","has coordinates,has Fobs","209168","2020-10-21","18:00:00",""
"1549715","18.998","0.006","15.678","0.004","20.236","0.009","90","","100.84","0.04","90","","5920","4","80","2","80","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H157 K2 Mn8 N O42 -","- C86 H157 K2 Mn8 N O42 -","- C172 H314 K4 Mn16 N2 O84 -","2","0.5","","Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi","Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation","Catalysis Science & Technology","2018","8","17","4390","","10.1039/C8CY01151F","","","0.71073","MoKα","","0.153","0.0728","","","0.1233","0.1486","","","","","","1.05","","","","has coordinates,has disorder","227966","2020-10-21","18:00:00",""
"1549716","20.7206","0.0004","9.8606","0.0002","6.3486","0.0001","90","","90","","90","","1297.13","0.04","150","","150","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H18 N2 S -","- C13 H18 N2 S -","- C52 H72 N8 S4 -","4","1","","Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.","Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.","Chemical science","2018","9","34","6969","6974","10.1039/c8sc01804a","","","1.54184","CuKα","","0.0378","0.0372","","0.1075","0.1067","0.1075","","","","","","0.9904","","","","has coordinates,has disorder","228846","2020-10-21","18:00:00",""
"1549717","25.386","0.003","25.15","0.003","17.6282","0.0017","90","","114.178","0.003","90","","10268","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H48.9 N6.5 O16.2 Zn2 -","- C28 H12 N2 O12 Zn2 -","- C224 H96 N16 O96 Zn16 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1643","0.0798","","","0.2117","0.2465","","","","","","1.005","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1549718","26.4534","0.0015","24.3372","0.0013","17.6488","0.0008","90","","109.622","0.002","90","","10702.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.15 H54.35 Cd2 N6.05 O16.05 -","- C28 H12 Cd2 N2 O12 -","- C224 H96 Cd16 N16 O96 -","8","1","","Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang","Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction","CrystEngComm","2018","20","39","6070","","10.1039/C8CE00694F","","","0.71073","MoKα","","0.1268","0.0667","","","0.1764","0.2066","","","","","","1.032","","","","has coordinates","228970","2020-10-21","18:00:00",""
"1549719","9.662","0.003","15.701","0.005","14.746","0.005","90","","94.165","0.005","90","","2231.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O9 -","- C24 H21 N O9 -","- C96 H84 N4 O36 -","4","1","","Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells.","Organic & biomolecular chemistry","2018","16","32","5920","5931","10.1039/c8ob01411f","","","0.71073","MoKα","","0.1117","0.0536","","","0.1358","0.1697","","","","","","0.983","","","","has coordinates","230632","2020-10-21","18:00:00",""
"1549720","12.2836","0.0004","14.5343","0.0005","7.8596","0.0003","90","","90","","90","","1403.2","0.09","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","VM4037","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate","IUCrData","2018","3","7","x181046","","10.1107/S2414314618010465","","","1.54178","CuKα","","0.0361","0.0346","","","0.0905","0.0929","","","","","","1.08","","","","has coordinates,has Fobs","209238","2020-10-21","18:00:00",""
"1549721","4.6852","0.0001","17.5786","0.0005","18.8573","0.0005","90","","90","","90","","1553.07","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","SU4166","Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","IUCrData","2018","3","7","x180993","","10.1107/S2414314618009938","","","1.54178","CuKα","","0.0392","0.0352","","","0.0848","0.0888","","","","","","1.084","","","","has coordinates,has Fobs","209239","2020-10-21","18:00:00",""
"1549723","14.3151","0.0003","6.8774","0.0001","23.4347","0.0005","90","","106.959","0.0007","90","","2206.84","0.07","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl4 Rh -","- C24 H19 Cl4 Rh -","- C96 H76 Cl16 Rh4 -","4","1","","Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko","Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis.","Chemical science","2018","9","34","6928","6934","10.1039/c8sc02074d","","","0.71073","MoKα","","0.0387","0.0292","","","0.0611","0.066","","","","","","1.043","","","","has coordinates","228848","2020-10-21","18:00:00",""
"1549724","12.069","0.0005","30.5791","0.0011","36.076","0.002","90","","90","","90","","13314.2","1","150.02","0.1","150.02","0.1","","","","","","","","3","P b c m","-P 2c 2b","57","","","","- C15 H9 F7.05 -","- C15 H9 F7.0485 -","- C600 H360 F281.94 -","40","5","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.2122","0.1041","","","0.2713","0.3542","","","","","","1.035","","","","has coordinates,has disorder","228839","2020-10-21","18:00:00",""
"1549725","13.442","0.002","13.4424","0.0016","7.0546","0.001","90","","93.892","0.014","90","","1271.8","0.3","149.9","0.4","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F2 O2 -","- C15 H12 F2 O2 -","- C60 H48 F8 O8 -","4","1","","Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor","<i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy.","Chemical science","2018","9","35","7133","7137","10.1039/c8sc02417k","","x-ray","0.71073","MoKα","","0.1303","0.0661","","","0.1292","0.1633","","","","","","1.016","","","","has coordinates","228839","2020-10-21","18:00:00",""
"1549726","8.4746","0.0007","9.5148","0.0007","45.506","0.003","90","","91.765","0.004","90","","3667.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H39 Cl5 Cu N2 O6 S2 -","- C29 H39 Cl5 Cu N2 O6 S2 -","- C116 H156 Cl20 Cu4 N8 O24 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0865","0.0659","","","0.1682","0.188","","","","","","1.084","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549727","13.7982","0.0005","5.5253","0.0002","24.9052","0.0008","90","","103.39","0.002","90","","1847.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O2 S2 -","- C21 H20 O2 S2 -","- C84 H80 O8 S8 -","4","1","","Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J.","Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds.","Chemical science","2018","9","34","6988","6996","10.1039/c8sc02337a","","","0.71073","MoKα","","0.0654","0.0432","","","0.1213","0.1555","","","","","","1.124","","","","has coordinates","228849","2020-10-21","18:00:00",""
"1549728","13.2523","0.0007","8.0408","0.0004","12.7339","0.0006","90","","91.04","0.004","90","","1356.69","0.12","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong","Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin","Metallomics","2018","","","","","10.1039/C8MT00125A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1435","0.1491","","","","","","1.191","","","","has coordinates","209272","2020-10-21","18:00:00",""
"1549729","9.4211","0.0004","12.9359","0.0008","13.8521","0.0008","66.332","0.006","88.609","0.004","71.401","0.005","1454.91","0.16","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Cl3 N2 O5 Pt2 S2 -","- C21 H23 Cl3 N2 O5 Pt2 S2 -","- C42 H46 Cl6 N4 O10 Pt4 S4 -","2","1","","Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong","Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin","Metallomics","2018","","","","","10.1039/C8MT00125A","","","0.71073","MoKα","","0.085","0.0528","","","0.1259","0.1491","","","","","","1.0436","","","","has coordinates","209272","2020-10-21","18:00:00",""
"1549730","32.7","0.018","10.89","0.006","30.813","0.017","90","","114.97","0.007","90","","9947","10","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H60 Cu9 N36 O6 S -","- C98 H60 Cu9 N36 O6 S -","- C392 H240 Cu36 N144 O24 S4 -","4","0.5","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","0.71073","MoKα","","0.1236","0.0696","","","0.1833","0.2138","","","","","","0.999","","","","has coordinates","228859","2020-10-21","18:00:00",""
"1549731","14.7327","0.0003","47.3434","0.0008","51.2702","0.0008","90","","97.581","0.002","90","","35448.2","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C294 H180 Cu27 N114 O4 S -","- C294 H180 Cu27 N114 O4 S -","- C1176 H720 Cu108 N456 O16 S4 -","4","1","","Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin","Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism.","Chemical science","2018","9","38","7498","7504","10.1039/c8sc02851f","","","1.54184","CuKα","","0.0942","0.0655","","","0.1286","0.1412","","","","","","1.023","","","","has coordinates,has disorder","228859","2020-10-21","18:00:00",""
"1549732","27.997","0.004","4.918","0.001","28.971","0.004","90","","108.987","0.001","90","","3772","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LoratadineI-m100(L13)","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","1.54178","CuKα","","0.0429","0.0383","","","0.1129","0.1297","","","","","","1.172","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549733","35.652","0.01","5.206","0.002","22.743","0.006","90","","117.418","0.014","90","","3747","2","10","2","10","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","loratadine-form2-He","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","0.711","synchrotron","","0.0525","0.0466","","","0.1134","0.1246","","","","","","1.088","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549734","27.844","0.016","4.867","0.003","28.892","0.016","90","","108.98","0.03","90","","3702","4","10","2","10","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","loratadine-form1","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","0.711","MoKα","","0.0324","0.0321","","","0.0826","0.0828","","","","","","1.055","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549735","28.502","0.015","5.051","0.004","29.231","0.016","90","","109.51","0.03","90","","3967","4","353","2","353","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LoratadineI-p80(L13)","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","1.54178","CuKα","","0.101","0.0798","","","0.2437","0.2792","","","","","","1.088","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549736","28.301","0.004","4.998","0.001","29.154","0.004","90","","109.217","0.006","90","","3894","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LoratadineI-p25","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","1.54178","CuKα","","0.0671","0.0559","","","0.1587","0.1753","","","","","","1.076","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549737","28.201","0.006","4.972","0.001","29.106","0.007","90","","109.077","0.01","90","","3857","1.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LoratadineI-0deg(L13)","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","1.54178","CuKα","","0.0541","0.0458","","","0.1252","0.1431","","","","","","1.105","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549738","27.906","0.004","4.886","0.001","28.927","0.005","90","","109.016","0.005","90","","3728.9","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LoratadineI-m173(L13)","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C176 H184 Cl8 N16 O16 -","8","1","","Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J.","The importance of configurational disorder in crystal structure prediction: the case of loratadine.","Faraday discussions","2018","211","0","209","234","10.1039/c8fd00072g","","","1.54178","CuKα","","0.0383","0.0356","","","0.1088","0.116","","","","","","1.118","","","","has coordinates,has disorder","230083","2020-10-21","18:00:00",""
"1549739","16.501","0.004","6.6194","0.0018","13.21","0.004","90","","90","","90","","1442.9","0.7","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.19 Al I0.82 O5 -","- C8 H4.184 Al I0.816 O5 -","- C32 H16.736 Al4 I3.264 O20 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1326","0.127","","","0.3491","0.3533","","","","","","1.123","","","","has coordinates,has disorder","227965","2020-10-21","18:00:00",""
"1549740","17.107","0.011","6.622","0.004","12.229","0.008","90","","90","","90","","1385.3","1.5","100","2","100","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H4.3 Al I0.7 O5.25 -","- C8 H4.3 Al I0.7 O5.25 -","- C32 H17.2 Al4 I2.8 O21 -","4","0.25","","Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F.","Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine","Catalysis Science & Technology","2018","8","17","4349","","10.1039/C8CY00794B","","","0.71073","MoKα","","0.1215","0.1067","","","0.2786","0.2903","","","","","","1.149","","","","has coordinates","227965","2020-10-21","18:00:00",""
"1549741","10.7394","0.0011","10.7693","0.001","12.2067","0.0012","90","","90","","90","","1411.8","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η8-cyclooctatetraenyl)-bis(acetonitrile)-erbium-iodide","","- C12 H14 Er I N2 -","- C12 H14 Er I N2 -","- C48 H56 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0261","0.0223","","","0.0368","0.0378","","","","","","0.945","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549742","8.4793","0.0007","9.3962","0.0007","22.2154","0.0017","90","","97.496","0.004","90","","1754.8","0.2","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(tetrahydrofuran)-erbium-iodide","","- C16 H24 Er I O2 -","- C16 H24 Er I O2 -","- C64 H96 Er4 I4 O8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0387","0.03","","","0.0611","0.0653","","","","","","1.171","","","","has coordinates,has disorder","228837","2020-10-21","18:00:00",""
"1549743","10.818","0.0008","8.8916","0.0006","18.3519","0.0013","90","","96.53","0.002","90","","1753.8","0.2","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η8-cyclooctatetraenyl)-bis(pyridine)-erbium-iodide","","- C18 H18 Er I N2 -","- C18 H18 Er I N2 -","- C72 H72 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0171","0.0149","","","0.0363","0.0376","","","","","","1.08","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549744","8.2903","0.0012","31.84","0.005","10.584","0.003","90","","102.02","0.007","90","","2732.5","1","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(η8-cyclooctatetraenyl)-tris(3,5-dimethyl-1-pyrazolyl)borate erbium","","- C27 H38 B Er N6 O -","- C27 H38 B Er N6 O -","- C108 H152 B4 Er4 N24 O4 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0475","0.0318","","","0.0513","0.058","","","","","","1.098","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549745","13.0203","0.0007","10.3915","0.0006","12.893","0.0007","90","","103.151","0.002","90","","1698.68","0.16","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F3 N2 O2 -","- C16 H21 F3 N2 O2 -","- C64 H84 F12 N8 O8 -","4","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0585","0.0534","","","0.1463","0.15","","","","","","1.091","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549746","11.8915","0.0004","14.4371","0.0005","15.9414","0.0006","84.9399","0.0013","77.9747","0.0013","68.7283","0.0013","2494.14","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 -","- C72.5 H129 Cl9 F8 N4 O16 Pd6 -","2","1","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","1.54178","CuKα","","0.0397","0.0322","","","0.0776","0.0816","","","","","","1.024","","","","has coordinates","228700","2020-10-21","18:00:00",""
"1549747","13.2478","0.0002","19.4015","0.0002","20.3563","0.0003","115.227","0.0006","91.1995","0.0005","105.389","0.0005","4509.24","0.11","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35 Cl3 F20 N P Pd -","- C38 H35 Cl3 F20 N P Pd -","- C152 H140 Cl12 F80 N4 P4 Pd4 -","4","2","","Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J.","Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams.","Chemical science","2018","9","39","7628","7633","10.1039/c8sc02855a","","","0.71073","MoKα","","0.0811","0.0544","","","0.1196","0.1356","","","","","","1.04","","","","has coordinates,has disorder","228700","2020-10-21","18:00:00",""
"1549748","7.9859","0.0002","19.6476","0.0005","23.8539","0.0006","90","","106.74","0.002","90","","3584.15","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 N3 O2 -","- C48 H35 N3 O2 -","- C192 H140 N12 O8 -","4","1","","Xiong, Jingwen; Li, Zongzhi; Tan, Jihua; Ji, Shaomin; Sun, Jianwei; Li, Xianwei; Huo, Yanping","Two new quinoline-based regenerable fluorescent probes with AIE characteristics for selective recognition of Cu<sup>2+</sup> in aqueous solution and test strips.","The Analyst","2018","143","20","4870","4886","10.1039/c8an00940f","","x-ray","1.54184","CuKα","","0.0651","0.0542","","","0.144","0.1573","","","","","","1.027","","","","has coordinates","227951","2020-10-21","18:00:00",""
"1549749","10.855","0.0004","28.6007","0.0012","10.8441","0.0004","90","","119.239","0.001","90","","2937.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Rh2 S2 -","- C31 H53 Rh2 S2 -","- C124 H212 Rh8 S8 -","4","1","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0737","0.0595","","","0.117","0.123","","","","","","1.072","","","","has coordinates","227967","2020-10-21","18:00:00",""
"1549750","8.734","0.003","26.987","0.008","8.39","0.002","90","","90","","90","","1977.6","1","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C40 H74 Rh2 S2 -","- C40 H74 Rh2 S2 -","- C80 H148 Rh4 S4 -","2","0.5","","Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E.","Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids","Catalysis Science & Technology","2018","8","17","4373","","10.1039/C8CY00227D","","","0.71073","MoKα","","0.0613","0.0479","","","0.0972","0.1026","","","","","","1.129","","","","has coordinates,has disorder","227967","2020-10-21","18:00:00",""
"1549751","30.4136","0.0013","11.7318","0.0005","20.6258","0.0015","90","","129.575","0.009","90","","5672.6","0.9","373","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C28 Al2 Cl6 F56 Li2 N2 O6 -","- C112 Al8 Cl24 F224 Li8 N8 O24 -","4","0.5","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0841","0.0651","","","0.1807","0.1964","","","","","","1.092","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549752","10.6841","0.0002","18.2966","0.0003","22.3798","0.0003","90","","94.822","0.001","90","","4359.38","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 Al2 F55 N O7 -","- C24 Al2 F55 N O7 -","- C96 Al8 F220 N4 O28 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0726","0.0489","","","0.1079","0.1202","","","","","","1.039","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549753","13.1028","0.0012","29.39","0.003","14.129","0.0012","90","","99.674","0.004","90","","5363.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H8 Ag Al2 F59 O6 -","- C36 H8 Ag1.0019 Al2 F59 O6 -","- C144 H32 Ag4.0076 Al8 F236 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0782","0.0633","","","0.1652","0.1793","","","","","","0.994","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549754","15.4856","0.0004","17.6866","0.0005","22.5679","0.0006","76.093","0.001","84.023","0.001","81.617","0.001","5920.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H12 Ag Al2 F61 O6 -","- C42 H12 Ag Al2 F61 O6 -","- C168 H48 Ag4 Al8 F244 O24 -","4","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0771","0.0555","","","0.1448","0.1604","","","","","","1.047","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549755","10.8066","0.0003","13.958","0.0004","17.2977","0.0005","90","","90.19","0.002","90","","2609.15","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 Al F27 O6 -","- C15 H6 Al F27 O6 -","- C60 H24 Al4 F108 O24 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0721","0.0429","","","0.0991","0.1161","","","","","","0.931","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549756","14.1565","0.0005","18.4564","0.0006","14.651","0.0005","90","","91.2","0.002","90","","3827.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H8 Ag Al F40 O4 -","- C28 H8 Ag Al F40 O4 -","- C112 H32 Ag4 Al4 F160 O16 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0685","0.0446","","","0.1066","0.1172","","","","","","1.029","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549757","10.2659","0.0002","17.4605","0.0004","20.9905","0.0005","90","","99.098","0.001","90","","3715.17","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H12 Ag Al F34 O3 -","- C30.006 H12.004 Ag Al F34.002 O3 -","- C120.024 H48.016 Ag4 Al4 F136.008 O12 -","4","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0324","0.0276","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549758","15.476","0.0018","16.615","0.002","18.2967","0.0019","89.488","0.004","67.742","0.004","70.537","0.004","4068.1","0.8","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 -","- C100 H116 Ag2 Al4 Br4 Cl8 F110 O12 Si4 -","2","1","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0327","0.0272","","","0.0665","0.0693","","","","","","1.029","","","","has coordinates","228840","2020-10-21","18:00:00",""
"1549759","35.9221","0.0016","10.7468","0.0005","19.3985","0.0009","90","","102.381","0.002","90","","7314.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Al F28 Li O12 -","- C21 H18 Al F28 Li O12 -","- C168 H144 Al8 F224 Li8 O96 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0618","0.0449","","","0.1036","0.1132","","","","","","1.037","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549760","34.3712","0.001","10.6465","0.0003","13.7845","0.0004","90","","100.452","0.001","90","","4960.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 Ag B F22 O2 -","- C20 H10 Ag B F22 O2 -","- C160 H80 Ag8 B8 F176 O16 -","8","2","","Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo","Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>).","Chemical science","2018","9","35","7058","7068","10.1039/c8sc02591f","","","0.71073","MoKα","","0.0306","0.0265","","","0.0568","0.0581","","","","","","1.141","","","","has coordinates,has disorder","228840","2020-10-21","18:00:00",""
"1549761","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.25 H44.5 Cl0.5 N2 O9 -","- C48.25 H44.5 Cl0.5 N2 O9 -","- C386 H356 Cl4 N16 O72 -","8","4","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549762","11.8363","0.0004","12.6884","0.0004","14.8869","0.0005","108.968","0.003","104.837","0.003","104.872","0.003","1897.35","0.14","180.05","0.1","180.05","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O6 -","- C48 H42 N2 O6 -","- C96 H84 N4 O12 -","2","1","","Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme","Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles.","Chemical science","2018","9","35","7043","7052","10.1039/c8sc02935k","","","1.54184","CuKα","","0.045","0.0352","","","0.0888","0.0954","","","","","","1.023","","","","has coordinates","228838","2020-10-21","18:00:00",""
"1549763","9.384","0.002","9.384","0.002","6.8842","0.0006","90","","90","","120","","525","0.16","","","","","","","","","","","","6","P 63/m","-P 6c","176","fluorapatite","","fluorapatite","- Ca4.83 F Mn0.15 O12 P3 Sr0.02 -","- Ca4.841 F Mn0.144 O12 P3 Sr0.015 -","- Ca9.682 F2 Mn0.288 O24 P6 Sr0.03 -","2","0.166667","","Arima, H.; Kida, Y.; Mikouchi, T.; Sugiyama, K.","The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda, near Governador Valadares, Minas Gerais, Brazil","Journal of Mineralogical and Petrological Sciences","2018","113","","119","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","209378","2020-10-21","18:00:00",""
"1549764","6.7103","0.0003","11.1619","0.0005","7.3741","0.0003","90","","94.919","0.002","90","","550.28","0.04","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","prosopite","","prosopite","- Al2 Ca0.96 F4.28 H3.72 O3.72 Sr0.04 -","- Al2 Ca0.964 F4 H4 O4 Sr0.036 -","- Al8 Ca3.856 F16 H16 O16 Sr0.144 -","4","0.5","","Hongu, H.; Yoshiasa, A.; Teshima, A.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R.","Crystal structure refinement and chemical formula of prosopite, CaAl2F4[(OH)4-xFx] x = 0.0-1.0","Journal of Mineralogical and Petrological Sciences","2018","113","","152","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","209379","2020-10-21","18:00:00",""
"1549765","8.6842","0.001","18.1757","0.0018","8.5209","0.0008","90","","100.878","0.007","90","","1320.8","0.2","296","2","296","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Dibromo-bis(pyridine)-cobalt(II)","","- C10 H10 Br2 Co N2 -","- C10 H10 Br2 Co N2 -","- C40 H40 Br8 Co4 N8 -","4","1","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1847","0.1064","","","0.0813","0.0925","","","","","","1.25","","","","has coordinates","228836","2020-10-21","18:00:00",""
"1549766","9.1275","0.0007","12.1835","0.0008","14.8264","0.001","90","","95.764","0.007","90","","1640.4","0.2","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Dibromo-bis(4-vinylpyridine)-cobalt(II)","","- C14 H14 Br2 Co N2 -","- C14 H14 Br2 Co N2 -","- C56 H56 Br8 Co4 N8 -","4","0.5","","Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf","Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution.","Chemical science","2018","9","36","7277","7286","10.1039/c8sc02277a","","","0.71075","MoKα","","0.1037","0.0515","","","0.0649","0.075","","","","","","1.107","","","","has coordinates,has disorder","228836","2020-10-21","18:00:00",""
"1549767","12.8319","0.0007","18.8787","0.0012","9.3269","0.0005","90","","90","","90","","2259.4","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 P Si2 Tb -","- C20 H32 P Si2 Tb -","- C80 H128 P4 Si8 Tb4 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0638","0.0301","","","0.0465","0.0587","","","","","","1.082","","","","has coordinates","276399","2022-06-29","09:43:57",""
"1549768","15.1266","0.0006","10.815","0.0004","14.256","0.0008","90","","95.164","0.004","90","","2322.73","0.18","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Er P Si2 -","- C20 H32 Er P Si2 -","- C80 H128 Er4 P4 Si8 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0626","0.0356","","","0.0573","0.0691","","","","","","1.091","","","","has coordinates,has disorder","276399","2022-06-29","09:44:12",""
"1549769","12.8248","0.0007","18.9114","0.0012","9.3047","0.0004","90","","90","","90","","2256.7","0.2","180","0.1","180","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Dy P Si2 -","- C20 H32 Dy P Si2 -","- C80 H128 Dy4 P4 Si8 -","4","0.5","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0709","0.0324","","","0.048","0.0612","","","","","","1.076","","","","has coordinates","276399","2022-06-29","09:44:16",""
"1549770","15.0719","0.0008","10.8053","0.0006","14.3183","0.0009","90","","95.125","0.005","90","","2322.5","0.2","180","0.1","180","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Tm -","- C20 H32 P Si2 Tm -","- C80 H128 P4 Si8 Tm4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","","0.71","MoKα","","0.0775","0.04","","","0.0594","0.0723","","","","","","1.045","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549771","15.2388","0.0007","10.8568","0.0005","14.217","0.0008","90","","95.18","0.004","90","","2342.5","0.2","179.9","0.3","179.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 P Si2 Y -","- C20 H32 P Si2 Y -","- C80 H128 P4 Si8 Y4 -","4","1","","Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song","A soft phosphorus atom to ""harden"" an erbium(iii) single-ion magnet.","Chemical science","2018","9","38","7540","7545","10.1039/c8sc01626g","","x-ray","0.71","MoKα","","0.0625","0.0395","","","0.068","0.073","","","","","","1.018","","","","has coordinates,has disorder","276399","2022-06-29","09:44:18",""
"1549775","18.7793","0.0002","7.4521","0.0001","50.3987","0.0006","90","","90","","90","","7053.06","0.15","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","compound 8","","- C25 H15 N S2 -","- C25 H15 N S2 -","- C400 H240 N16 S32 -","16","2","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0419","0.041","","","0.0917","0.0921","","","","","","1.278","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549776","10.6434","0.0015","9.1028","0.0013","20.109","0.003","90","","102.565","0.015","90","","1901.6","0.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","compound 3ad","","- C29 H19 N -","- C29 H19 N -","- C116 H76 N4 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.1869","0.1013","","","0.248","0.328","","","","","","1.01","","","","has coordinates","228858","2020-10-21","18:00:00",""
"1549777","16.1846","0.0006","27.2713","0.0009","7.6092","0.0003","90","","97.89","0.003","90","","3326.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","compound 9","","- C41 H27 N O S4 -","- C41 H27 N O S4 -","- C164 H108 N4 O4 S16 -","4","1","","Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro","Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds.","Chemical science","2018","9","38","7556","7561","10.1039/c8sc02802h","","","0.71073","MoKα","","0.0871","0.0653","","","0.2172","0.2336","","","","","","1.086","","","","has coordinates,has disorder","228858","2020-10-21","18:00:00",""
"1549778","20.474","0.002","31.755","0.004","36.216","0.004","75.393","0.001","74.91","0.001","84.029","0.001","21981","4","100","","100","","","","","","","","Crystallized by slow evaporation of a DCM-Hexane solution of the cluster at low tempereture","7","P -1","-P 1","2","Au24Pd-biicosahedral","","","- C220 H194.5 Au24.01 Cl3 P10 Pd0.99 S5 -","- C220 H194.5 Au24.0115 Cl3 P10 Pd0.9885 S5 -","- C880 H778 Au96.046 Cl12 P40 Pd3.954 S20 -","4","2","","Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi","Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties.","Nanoscale","2018","10","40","18969","18979","10.1039/c8nr04078h","","","0.71073","MoKα","","0.1148","0.0594","","","0.1158","0.1364","","","","","","1.049","","","","has coordinates,has disorder","230154","2020-10-21","18:00:00",""
"1549779","8.3287","0.0007","13.8956","0.0009","20.3124","0.0015","90","","90.635","0.008","90","","2350.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","","- C25 H24 N4 O3 S -","- C25 H24 N4 O3 S -","- C100 H96 N16 O12 S4 -","4","1","HB4250","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate","IUCrData","2018","3","8","x181106","","10.1107/S2414314618011069","","","0.71073","MoKα","","0.1577","0.0629","","","0.1362","0.1822","","","","","","1.012","","","","has coordinates,has Fobs","209560","2020-10-21","18:00:00",""
"1549780","4.9045","0.0003","11.7945","0.0005","5.8231","0.0002","90","","90","","90","","336.84","0.03","295","1","295","1","","","","","","","","4","P b c m","-P 2c 2b","57","Ammonium metavanadate","Hydroxy(dioxido)vanadium ammoniate","","- H4 N O3 V -","- H4 N O3 V -","- H16 N4 O12 V4 -","4","0.5","WM4083","Pérez-Benítez, Aarón; Bernès, Sylvain","Redetermination of ammonium metavanadate","IUCrData","2018","3","8","","","10.1107/S2414314618010805","","","0.56083","AgKα","","0.019","0.0144","","","0.0403","0.042","","","","","","1.13","","","","has coordinates,has Fobs","209561","2020-10-21","18:00:00",""
"1549781","19.7403","0.001","9.3294","0.0003","15.0595","0.0007","90","","90","","90","","2773.4","0.2","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","8-Methyl-16-oxapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9(14),10,12,18-heptaen-15-one","","- C19 H14 O2 -","- C19 H14 O2 -","- C152 H112 O16 -","8","1","LH4037","Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","10-Methyl-9,11-annulated dibenzobarrelene","IUCrData","2018","3","8","x181102","","10.1107/S2414314618011021","","","0.71073","MoKα","","0.0656","0.0457","","","0.1168","0.1318","","","","","","1.043","","","","has coordinates,has Fobs","209562","2020-10-21","18:00:00",""
"1549782","9.5765","0.0011","10.1909","0.0012","10.8774","0.0016","115.915","0.013","106.476","0.011","90.377","0.01","905.1","0.2","294.29","0.18","294.29","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 B N2 -","- C23 H19 B N2 -","- C46 H38 B2 N4 -","2","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.1046","0.0612","","","0.1567","0.1903","","","","","","1.0571","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549783","9.1839","0.0014","11.282","0.0014","14.148","0.003","90","","101.51","0.017","90","","1436.4","0.4","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 B F N2 -","- C17 H14 B F N2 -","- C68 H56 B4 F4 N8 -","4","1","","Yang, Kai; Zhang, Guan; Song, Qiuling","Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation.","Chemical science","2018","9","39","7666","7672","10.1039/c8sc02281j","","x-ray","0.71073","MoKα","","0.0916","0.0502","","","0.0997","0.1224","","","","","","1.0223","","","","has coordinates","228701","2020-10-21","18:00:00",""
"1549784","13.89","0.002","14.796","0.002","16.218","0.002","96.6694","0.0014","96.2744","0.0014","112.822","0.0016","3007.7","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.5 H22 Cl7 F20 N5 S3 -","- C59.5 H22 Cl7 F20 N5 S3 -","- C119 H44 Cl14 F40 N10 S6 -","2","1","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.0819","0.0621","","","0.1754","0.1921","","","","","","1.096","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549785","13.765","0.003","17.271","0.003","24.19","0.005","94.738","0.003","102.606","0.004","93.061","0.005","5577.9","1.9","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H20.5 Cl1.5 F20 N5 S3 -","- C65 H18 Cl1.5 F20 N5 S3 -","- C260 H72 Cl6 F80 N20 S12 -","4","2","","Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi","Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction.","Chemical science","2018","9","38","7528","7539","10.1039/c8sc02448k","","","0.7107","MoKα","","0.1727","0.1121","","","0.3026","0.3578","","","","","","1.071","","","","has coordinates,has disorder","228862","2020-10-21","18:00:00",""
"1549786","10.3182","0.0003","12.47104","0.00019","12.8143","0.0003","82.2874","0.0017","68.197","0.003","79.3609","0.0017","1500.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N5 O5 U -","- C32 H33 N5 O5 U -","- C64 H66 N10 O10 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0257","0.0256","","","0.0673","0.0674","","","","","","1.148","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549787","46.746","0.005","13.2744","0.0003","24.296","0.003","90","","145.84","0.03","90","","8465","7","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Fe N10 O10 U2 -","- C64 H64 Fe N10 O10 U2 -","- C256 H256 Fe4 N40 O40 U8 -","4","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0192","0.0182","","","0.048","0.0484","","","","","","1.069","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549788","14.3842","0.0006","14.1543","0.0008","16.8027","0.0007","90","","93.045","0.004","90","","3416.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 I2 N11 O6 U2 -","- C69 H69 I2 N11 O6 U2 -","- C138 H138 I4 N22 O12 U4 -","2","0.5","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.09","0.0977","","","","","","1.079","","","","has coordinates,has disorder","228860","2020-10-21","18:00:00",""
"1549789","12.542","0.006","13.779","0.01","23.86","0.03","81.55","0.06","78.59","0.05","86.58","0.04","3996","6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H99 K2 N8 O17 U -","- C63 H99 K2 N8 O17 U -","- C126 H198 K4 N16 O34 U2 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.1506","0.1088","","","0.2739","0.3156","","","","","","1.111","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549790","13.7743","0.0003","21.1783","0.0004","24.452","0.0005","99.7615","0.0017","95.7326","0.0016","98.8026","0.0016","6888.7","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C99 H99 Fe3 I2 N17 O10 U2 -","- C99 H99 Fe3 I2 N17 O10 U2 -","- C198 H198 Fe6 I4 N34 O20 U4 -","2","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0609","0.0558","","","0.1438","0.148","","","","","","1.036","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549791","19.5691","0.0007","13.9341","0.0003","19.6431","0.0006","90","","118.26","0.004","90","","4717.8","0.3","139.99","0.13","139.99","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Fe N8 O5 U -","- C50 H54 Fe N8 O5 U -","- C200 H216 Fe4 N32 O20 U4 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","x-ray","1.54184","CuKα","","0.0355","0.0326","","","0.0858","0.0893","","","","","","1.032","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549792","15.964","0.002","23.884","0.003","20.0642","0.0009","90","","105.849","0.006","90","","7359.3","1.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H69 Fe I N11 O8 U2 -","- C69 H69 Fe I N11 O8 U2 -","- C276 H276 Fe4 I4 N44 O32 U8 -","4","1","","Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella","The effect of iron binding on uranyl(v) stability.","Chemical science","2018","9","38","7520","7527","10.1039/c8sc02099j","","","0.71073","MoKα","","0.0895","0.0584","","","0.1091","0.1217","","","","","","1.13","","","","has coordinates","228860","2020-10-21","18:00:00",""
"1549793","11.6462","0.0008","6.3754","0.0004","14.7003","0.0009","90","","92.711","0.007","90","","1090.26","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","","- C10 H7 Cl N3 Na O2 -","- C10 H7 Cl N3 Na O2 -","- C40 H28 Cl4 N12 Na4 O8 -","4","1","HB4252","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate","IUCrData","2018","3","8","x181127","","10.1107/S2414314618011276","","","0.71073","MoKα","","0.0708","0.0445","","","0.0991","0.1152","","","","","","1.049","","","","has coordinates,has Fobs","209717","2020-10-21","18:00:00",""
"1549794","9.6306","0.0007","10.813","0.0008","17.0381","0.0014","91.826","0.005","95.619","0.004","90.734","0.004","1764.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(triphenylphosphine)iminium tetrafluoridoborate chloroform monosolvate","Bis(triphenyl-λ^5^-phosphanylidene)azanium tetrafluoridoborate chloroform monosolvate","","- C37 H31 B Cl3 F4 N P2 -","- C37 H31 B Cl3 F4 N P2 -","- C74 H62 B2 Cl6 F8 N2 P4 -","2","1","SJ4188","Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W.","Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate","IUCrData","2018","3","8","x181108","","10.1107/S2414314618011082","","","0.71073","MoKα","","0.1034","0.0532","","","0.1093","0.1303","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","209718","2020-10-21","18:00:00",""
"1549795","15.631","0.012","11.614","0.008","16.976","0.011","90","","90","","90","","3082","4","150","","149.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Butyl-2,3,3-trimethylindol-1-ium iodide","","- C15 H22 I N -","- C15 H22 I N -","- C120 H176 I8 N8 -","8","1","HB4247","da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís","1-Butyl-2,3,3-trimethylindol-1-ium iodide","IUCrData","2018","3","8","x181130","","10.1107/S2414314618011306","","","0.71073","MoKα","","0.0273","0.019","","","0.0435","0.0472","","","","","","1.03","","","","has coordinates,has Fobs","209719","2020-10-21","18:00:00",""
"1549796","14.1097","0.0013","14.319","0.0013","14.2262","0.0013","90","","111.886","0.0014","90","","2667.1","0.4","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H84 Mn2 N4 -","- C58 H84 Mn2 N4 -","- C116 H168 Mn4 N8 -","2","0.5","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.0648","0.0536","","","0.1381","0.1452","","","","","","1.066","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549797","12.443","0.006","13.455","0.006","22.132","0.01","90","","102.382","0.005","90","","3619","3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H58 Mn N2 -","- C41 H58 Mn N2 -","- C164 H232 Mn4 N8 -","4","1","","Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight.","Chemical science","2018","9","39","7673","7680","10.1039/c8sc02768d","","","0.71073","MoKα","","0.1106","0.0678","","","0.1721","0.2102","","","","","","1.032","","","","has coordinates","228704","2020-10-21","18:00:00",""
"1549798","42.348","0.014","11.696","0.004","18.645","0.006","90","","92.882","0.004","90","","9223","5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 F6 Fe N5 O6 S2 -","- C40 H33 F6 Fe N5 O6 S2 -","- C320 H264 F48 Fe8 N40 O48 S16 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","","0.7107","MoKα","","0.1524","0.1356","","","0.2786","0.2892","","","","","","1.189","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549799","18.9606","0.0003","18.7387","0.0003","34.1557","0.0006","90","","90","","90","","12135.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Cl6 Fe3 N11 -","- C64 H53 Cl6 Fe3 N11 -","- C512 H424 Cl48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0394","0.0328","","","0.0726","0.0758","","","","","","1.069","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549800","9.9553","0.0003","13.1814","0.0004","16.2767","0.0006","92.662","0.003","96.422","0.003","105.743","0.003","2036.29","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Fe(N2QuPy)(Br)](ClO4)","","- C33 H27 Br Cl7 Fe N5 O4 -","- C33 H27 Br Cl7 Fe N5 O4 -","- C66 H54 Br2 Cl14 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.113","0.0906","","","0.2574","0.2838","","","","","","1.06","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549801","9.68503","0.00017","9.74597","0.00018","20.3011","0.0003","92.2266","0.0014","101.563","0.0015","98.3455","0.0015","1852.88","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl8 Fe N5 O4 -","- C33 H27 Cl8 Fe N5 O4 -","- C66 H54 Cl16 Fe2 N10 O8 -","2","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0504","0.0452","","","0.1213","0.1307","","","","","","1.034","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549802","19.0269","0.0004","18.8487","0.0004","35.2474","0.0006","90","","90","","90","","12640.9","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H53 Br6 Fe3 N11 -","- C64 H53 Br6 Fe3 N11 -","- C512 H424 Br48 Fe24 N88 -","8","1","","Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata","Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo.","Chemical science","2018","9","40","7843","7858","10.1039/c8sc02053a","","x-ray","0.71073","MoKα","","0.0481","0.0331","","","0.0703","0.076","","","","","","1.022","","","","has coordinates","228772","2020-10-21","18:00:00",""
"1549803","13.2958","0.0013","5.1981","0.0004","18.8162","0.0015","90","","109.212","0.009","90","","1228.02","0.19","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","BH4039","Padgett, Clifford W.; Lynch, Will E.; Sheriff, Kirkland; Dean, Raven; Zingales, Sarah","3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","8","x181138","","10.1107/S2414314618011380","","","0.71073","MoKα","","0.094","0.0536","","","0.1389","0.1703","","","","","","1.039","","","","has coordinates,has Fobs","209864","2020-10-21","18:00:00",""
"1549804","9.9013","0.0009","9.9013","0.0009","28.981","0.002","90","","90","","120","","2460.5","0.4","223","2","223","2","","","","","","","","5","P 65","P 65","170","","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","","- C18 H18 Cl N3 O -","- C18 H18 Cl N3 O -","- C108 H108 Cl6 N18 O6 -","6","1","LH4038","Lee, Ji Hye; Koh, Dongsoo","2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride","IUCrData","2018","3","8","x181152","","10.1107/S2414314618011525","","","0.71073","MoKα","","0.0556","0.0395","","","0.0769","0.0828","","","","","","1.103","","","","has coordinates,has Fobs","209865","2020-10-21","18:00:00",""
"1549805","17.1715","0.0013","17.8894","0.0014","9.4518","0.0007","90","","101.309","0.003","90","","2847.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 F2 Sn -","- C32 H40 F2 Sn -","- C128 H160 F8 Sn4 -","4","1","","Ming, Jialin; Shi, Qi; Hayashi, Tamio","Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride.","Chemical science","2018","9","39","7700","7704","10.1039/c8sc02459f","","","0.71073","MoKα","","0.1468","0.0663","","","0.1362","0.1726","","","","","","1.014","","","","has coordinates","228702","2020-10-21","18:00:00",""
"1549806","14.0463","0.0002","17.6303","0.0003","16.8395","0.0003","90","","100.648","0.001","90","","4098.34","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C180 H136 B4 F60 Fe4 O4 -","2","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.1167","0.0814","","","0.1538","0.175","","","","","","1.133","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549807","13.8373","0.0003","14.8923","0.0003","15.4147","0.0003","63.462","0.001","80.689","0.001","88.721","0.002","2799.88","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0592","0.0483","","","0.1168","0.1238","","","","","","1.032","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549808","13.3556","0.0006","14.9486","0.0007","17.5414","0.0008","95.477","0.003","111.222","0.003","102.632","0.003","3126.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H25 B2 Cl4 F30 O2 -","- C69 H25 B2 Cl4 F30 O2 -","- C138 H50 B4 Cl8 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0935","0.0565","","","0.1381","0.1609","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549809","12.3256","0.0007","16.7558","0.0009","17.1303","0.0009","90.82","0.003","97.535","0.003","103.218","0.003","3410.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H29 B2 Cl6 F30 O2 -","- C72 H29 B2 Cl6 F30 O2 -","- C144 H58 B4 Cl12 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0496","0.0372","","","0.0885","0.0943","","","","","","1.052","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549810","12.6071","0.0003","13.6253","0.0004","20.3659","0.0006","90","","100.362","0.002","90","","3441.31","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C71 H40 B2 Cl2 F30 Fe O2 -","- C71 H40 B2 Cl2 F30 Fe O2 -","- C142 H80 B4 Cl4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.0681","0.0492","","","0.0911","0.0969","","","","","","1.027","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549811","11.863","0.004","13.004","0.005","13.207","0.005","106.631","0.01","116.366","0.011","92.518","0.012","1714","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","- C72 H42 B2 Cl4 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0519","0.0385","","","0.0886","0.0957","","","","","","1.029","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549812","13.3457","0.0003","14.575","0.0003","17.8933","0.0004","91.771","0.001","97.044","0.001","102.641","0.001","3364.49","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H36 B2 F30 Fe O2 -","- C68 H36 B2 F30 Fe O2 -","- C136 H72 B4 F60 Fe2 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0657","0.0509","","","0.1064","0.1135","","","","","","1.022","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549813","26.8002","0.0008","12.9058","0.0004","27.8292","0.0008","90","","116.473","0.002","90","","8616.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H68 B2 F30 Fe2 O2 -","- C90 H68 B2 F30 Fe2 O2 -","- C360 H272 B8 F120 Fe8 O8 -","4","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.1055","0.0599","","","0.1381","0.1646","","","","","","1.018","","","","has coordinates,has disorder","228666","2020-10-21","18:00:00",""
"1549814","11.8064","0.0003","14.9813","0.0004","15.3306","0.0004","91.992","0.002","103.172","0.002","108.496","0.001","2487","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H22 B2 F30 N O3 -","- C51 H22 B2 F30 N O3 -","- C102 H44 B4 F60 N2 O6 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","1.54178","CuKα","","0.095","0.0587","","","0.0948","0.1061","","","","","","1.077","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549815","13.791","0.0012","14.0959","0.0013","18.1102","0.0014","109.569","0.002","109.658","0.002","90.652","0.003","3093.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H19 B2 F30 O2 -","- C61 H19 B2 F30 O2 -","- C122 H38 B4 F60 O4 -","2","1","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.13","0.0601","","","0.1108","0.1307","","","","","","1.007","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549816","9.5809","0.0003","10.9166","0.0004","14.2783","0.0004","74.722","0.002","79.532","0.002","85.172","0.002","1415.59","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","- C62 H34 B2 F30 Fe O2 -","1","0.5","","Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard","The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals.","Chemical science","2018","9","41","8011","8018","10.1039/c8sc03005g","","","0.71073","MoKα","","0.0664","0.0531","","","0.1174","0.1279","","","","","","1.053","","","","has coordinates","228666","2020-10-21","18:00:00",""
"1549817","3.7576","0.0005","14.428","0.0016","9.4611","0.0011","90","","100.599","0.012","90","","504.18","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C20 H16 N8 O2 -","2","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","","0.71073","MoKα","","0.1007","0.0715","","","0.2194","0.252","","","","","","1.078","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549818","5.772","0.0004","9.9613","0.0006","10.8529","0.0008","87.644","0.005","77.477","0.006","89.901","0.005","608.63","0.07","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H22 N4 -","- C34 H22 N4 -","- C34 H22 N4 -","1","0.5","","Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics.","Chemical science","2018","9","40","7829","7834","10.1039/c8sc02810a","","x-ray","1.54184","CuKα","","0.0411","0.0366","","","0.1045","0.1112","","","","","","1.002","","","","has coordinates","228771","2020-10-21","18:00:00",""
"1549819","7.3968","0.0008","10.6475","0.0009","12.7769","0.0013","106.577","0.009","100.809","0.009","108.208","0.009","872.83","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","","- C17 H20 N6 O2 -","- C17 H20 N6 O2 -","- C34 H40 N12 O4 -","2","1","","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate","IUCrData","2018","3","8","x181162","","10.1107/S2414314618011628","","","0.71073","MoKα","","0.0852","0.0572","","","0.1331","0.1551","","","","","","1.049","","","","has coordinates,has Fobs","210056","2020-10-21","18:00:00",""
"1549820","4.2503","0.0002","10.1169","0.0004","11.3784","0.0005","81.03","0.003","88.843","0.003","82.58","0.004","479.24","0.04","296","1","296","1","","","0","0.001","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0292","0.0247","","","0.0477","0.0493","","","","","","1.036","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549821","4.0958","0.0004","9.372","0.002","10.9859","0.0013","85.224","0.016","88.977","0.009","84.909","0.016","418.56","0.11","296","1","296","1","","","2320000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0587","0.0458","","","0.1096","0.1213","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549822","3.9623","0.0005","8.824","0.003","10.6104","0.0015","87.89","0.02","88.524","0.012","87.3","0.03","370.2","0.14","296","1","296","1","","","7160000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0817","0.0703","","","0.1792","0.1855","","","","","","1.172","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549823","4.0071","0.0003","9.009","0.002","10.7254","0.0009","87.042","0.013","88.693","0.007","86.485","0.014","385.87","0.1","296","1","296","1","","","5150000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0556","0.0463","","","0.117","0.1219","","","","","","1.086","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549824","4.1474","0.0003","9.5705","0.0019","11.1208","0.0009","84.163","0.012","88.992","0.007","84.152","0.014","436.83","0.1","296","1","296","1","","","1360000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.053","0.0404","","","0.0952","0.1022","","","","","","1.063","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549825","4.0175","0.0002","9.064","0.002","10.7655","0.0008","86.743","0.012","88.765","0.006","86.231","0.012","390.48","0.09","296","1","296","1","","","4650000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0639","0.0549","","","0.1292","0.1337","","","","","","1.144","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549826","4.0406","0.0003","9.151","0.002","10.8365","0.0011","86.375","0.015","88.849","0.007","85.829","0.014","398.78","0.1","296","1","296","1","","","3820000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0667","0.0544","","","0.1111","0.1207","","","","","","1.08","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549827","3.9759","0.0007","8.862","0.003","10.6257","0.0017","87.71","0.02","88.616","0.015","87.1","0.03","373.52","0.15","296","1","296","1","","","6670000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0723","0.0603","","","0.131","0.1395","","","","","","1.162","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549828","4.1864","0.0003","9.741","0.002","11.2181","0.0011","83.217","0.013","88.956","0.007","83.522","0.013","451.36","0.11","296","1","296","1","","","720000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0804","0.0633","","","0.1363","0.1443","","","","","","1.132","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549829","3.989","0.0004","8.933","0.003","10.667","0.001","87.474","0.016","88.623","0.008","86.839","0.017","379.07","0.14","296","1","296","1","","","6000000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1435","0.1487","","","","","","1.197","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549830","4.068","0.0003","9.26","0.0018","10.911","0.001","85.828","0.012","88.899","0.007","85.395","0.013","408.56","0.09","296","1","296","1","","","3080000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0541","0.0425","","","0.1106","0.1194","","","","","","1.116","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549831","3.997","0.0002","8.9646","0.0017","10.6952","0.0008","87.267","0.012","88.673","0.006","86.652","0.011","382.06","0.08","296","1","296","1","","","5630000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0571","0.0485","","","0.1064","0.1103","","","","","","1.087","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549832","4.0313","0.0003","9.11","0.002","10.8051","0.0011","86.619","0.015","88.825","0.007","86.015","0.014","395.12","0.1","296","1","296","1","","","4180000","40000","","","","6","P -1","-P 1","2","","","","- C7 H8 Cu I N2 O2 -","- C7 H8 Cu I N2 O2 -","- C14 H16 Cu2 I2 N4 O4 -","2","1","","Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar","Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors.","Chemical science","2018","9","41","8000","8010","10.1039/c8sc03085e","","x-ray","0.71073","MoKα","","0.0749","0.0592","","","0.1422","0.1507","","","","","","1.159","","","","has coordinates","228668","2020-10-21","18:00:00",""
"1549833","12.2994","0.0011","22.698","0.002","23.587","0.002","90","","99.188","0.0019","90","","6500.3","1","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","neisc35","","","- C71 H102 Fe4 O6 -","- C71 H102 Fe4 O6 -","- C284 H408 Fe16 O24 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0824","0.0492","","","0.0987","0.1115","","","","","","1.025","","","","has coordinates","210119","2020-10-21","18:00:00",""
"1549834","12.3417","0.0009","15.4069","0.0011","21.5668","0.0015","100.062","0.0015","99.279","0.0016","94.4973","0.0016","3960.9","0.5","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","neisc29","","","- C76 H114 Br2 F4 Fe2 Mg2 O14.5 -","- C76 H114 Br2 F4 Fe2 Mg2 O14.5 -","- C152 H228 Br4 F8 Fe4 Mg4 O29 -","2","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1056","0.0554","","","0.1323","0.1514","","","","","","1.058","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549835","12.4649","0.0012","12.9212","0.0012","15.2879","0.0015","69.5966","0.0019","81.444","0.002","88.91","0.002","2280.7","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neisc21","","","- C94 H140 Fe2 Mg2 O16 -","- C94 H140 Fe2 Mg2 O16 -","- C94 H140 Fe2 Mg2 O16 -","1","0.5","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1217","0.0553","","","0.105","0.1301","","","","","","0.985","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549836","15.2106","0.0008","11.1429","0.0006","12.9636","0.0007","90","","114.031","0.001","90","","2006.76","0.19","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","neisc31","","","- C18 H30 Fe0.58 Mg0.42 O6 -","- C18 H30 Fe0.5763 Mg0.4237 O6 -","- C72 H120 Fe2.3052 Mg1.6948 O24 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0667","0.0405","","","0.0981","0.1096","","","","","","1.015","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549837","20.134","0.008","24.672","0.009","43.274","0.018","90","","90","","90","","21496","15","100","0.5","100","0.5","","","","","","","","4","F d d d","-F 2uv 2vw","70","neisc36","","","- C60 H78 Fe4 O6 -","- C60 H78 Fe4 O6 -","- C960 H1248 Fe64 O96 -","16","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.3772","0.2483","","","0.4569","0.4911","","","","","","1.949","","","","has coordinates","210119","2020-10-21","18:00:00",""
"1549838","16.159","0.003","17.191","0.003","18.694","0.003","90","","98.545","0.003","90","","5135.3","1.5","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","neisc32","","","- C58 H74 Fe4 O4 -","- C58 H74 Fe4 O4 -","- C232 H296 Fe16 O16 -","4","1","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.1176","0.0525","","","0.0951","0.115","","","","","","1.006","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549839","15.5897","0.0004","15.5897","0.0004","45.3118","0.0012","90","","90","","90","","11012.5","0.5","100","0.1","100","0.1","","","","","","","","5","I 41/a m d","-I 4bd 2","141","neisc52","","","- C52 H56 F6 Fe4 O4 -","- C52 H55.498 F6 Fe4 O4 -","- C416 H443.984 F48 Fe32 O32 -","8","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","x-ray","0.71073","MoKα","","0.0755","0.0626","","","0.1906","0.2041","","","","","","1.049","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549840","12.7545","0.0019","12.82","0.0019","14.971","0.002","96.604","0.003","108.178","0.003","113.494","0.003","2050.9","0.5","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","neism38","","","- C86 H118 F6 Fe2 Mg2 O14 -","- C86 H118 F6 Fe2 Mg2 O14 -","- C86 H118 F6 Fe2 Mg2 O14 -","1","0.5","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0831","0.0476","","","0.1177","0.1326","","","","","","1.063","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549841","20.048","0.002","20.048","0.002","19.32","0.002","90","","90","","90","","7765.1","1.4","100","0.5","100","0.5","","","","","","","","6","P 42/n","-P 4bc","86","neisc24","","","- C80 H112 Fe2 Mg N6 O9.5 -","- C80 H112 Fe2 Mg N6 O9.5 -","- C320 H448 Fe8 Mg4 N24 O38 -","4","","","Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L.","Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling","Chemical Science","2018","","","","","10.1039/C8SC02915F","","","0.71073","MoKα","","0.0908","0.0534","","","0.1299","0.1561","","","","","","1.033","","","","has coordinates,has disorder","210119","2020-10-21","18:00:00",""
"1549842","8.8042","0.0017","13.872","0.003","15.012","0.003","113.273","0.004","91.702","0.004","108.265","0.004","1574.4","0.6","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0908","0.068","","","0.1582","0.1702","","","","","","1.04","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549843","8.933","0.01","14.009","0.016","15.07","0.016","113.024","0.014","91.175","0.016","108.218","0.015","1627","3","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0778","0.0531","","","0.1236","0.1365","","","","","","1.023","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549844","8.7198","0.0004","13.8688","0.0007","15.15","0.0008","112.076","0.001","90.143","0.001","106.456","0.001","1615.99","0.14","450","2","450","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0577","0.0495","","","0.141","0.1499","","","","","","1.049","","","","has coordinates,has disorder","228665","2020-10-21","18:00:00",""
"1549845","8.6715","0.0005","13.689","0.0008","15.1994","0.0008","112.725","0.002","90.764","0.002","106.662","0.002","1578.49","0.16","300","2","300","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.046","0.0379","","","0.0917","0.0956","","","","","","1.046","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549846","8.8606","0.0007","13.9125","0.001","14.9455","0.0011","65.422","0.002","87.897","0.002","71.56","0.002","1579.8","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","- C69 H59 Br2 Co N9 O9 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0523","0.0457","","","0.1108","0.115","","","","","","1.001","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549847","8.6306","0.0004","13.5529","0.0007","15.2106","0.0008","113.16","0.001","91.252","0.001","106.863","0.001","1546.66","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","- C69 H55 Br2 Co N9 O7 S2 -","1","1","","Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi","Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation.","Chemical science","2018","9","41","7986","7991","10.1039/c8sc02774a","","","0.71073","MoKα","","0.0799","0.0721","","","0.1842","0.2117","","","","","","1.089","","","","has coordinates","228665","2020-10-21","18:00:00",""
"1549848","8.3737","0.0003","10.0127","0.0004","24.658","0.0008","90","","90","","90","","2067.41","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 -","- C23 H22 Br N O4 -","- C92 H88 Br4 N4 O16 -","4","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0989","0.1055","","","","","","1.044","","","","has coordinates","228696","2020-10-21","18:00:00",""
"1549849","6.25857","0.00015","10.36","0.0006","11.9013","0.0006","64.561","0.005","87.812","0.003","84.16","0.003","693.22","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","- C26 H32 N2 O8 S -","1","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0522","0.0466","","","0.1286","0.1324","","","","","","1.046","","","","has coordinates,has disorder","228696","2020-10-21","18:00:00",""
"1549850","24.8328","0.0003","24.8328","0.0003","24.8328","0.0003","90","","90","","90","","15313.6","0.3","280","2","280","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Dy-NDC","","","- C144 Dy12 O64 -","- C144 Dy12 O64 -","- C288 Dy24 O128 -","2","0.0104167","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.1623","0.1562","","","0.5328","0.545","","","","","","2.986","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549851","29.9107","0.0006","29.9107","0.0006","29.9107","0.0006","90","","90","","90","","26759.6","0.9","240","2","240","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","Dy-ABDC","","","- C42 H24 Dy3 N6 O16 -","- C42 H24 Dy3 N6 O16 -","- C336 H192 Dy24 N48 O128 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0581","0.0529","","","0.1535","0.1606","","","","","","1.203","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549852","27.5659","0.0002","27.5659","0.0002","27.5659","0.0002","90","","90","","90","","20946.7","0.3","240","2","240","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","Dy-BPDC","","","- C42 H24 Dy3 O20 -","- C42 H24 Dy3 O20 -","- C336 H192 Dy24 O160 -","8","0.0416667","","Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.","Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.","Chemical science","2018","9","42","8099","8102","10.1039/c8sc03168a","","","1.54178","CuKα","","0.0633","0.0562","","","0.1854","0.1926","","","","","","1.357","","","","has coordinates","228699","2020-10-21","18:00:00",""
"1549853","10.499","0.003","20.581","0.006","8.367","0.002","90","","108.054","0.003","90","","1718.9","0.8","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C76 H60 Br4 N8 O12 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71","MoKα","","0.0796","0.0398","","","0.0688","0.0814","","","","","","1.026","","","","has coordinates","228667","2020-10-21","18:00:00",""
"1549854","18.29","0.002","10.7507","0.0014","9.233","0.0012","90","","98.659","0.002","90","","1794.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin","Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions.","Chemical science","2018","9","41","7992","7999","10.1039/c8sc02758g","","","0.71073","MoKα","","0.1075","0.0696","","","0.2152","0.2452","","","","","","1.059","","","","has coordinates,has disorder","228667","2020-10-21","18:00:00",""
"1549855","8.268","0.0006","11.8794","0.0007","12.9943","0.0007","71.395","0.005","78.04","0.005","70.734","0.006","1134.41","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 Cl2 N Si Ti -","- C21 H33 Cl2 N Si Ti -","- C42 H66 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0464","0.0368","","","0.1195","0.1286","","","","","","1.174","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549856","9.966","0.0002","12.4507","0.0004","15.2615","0.0004","112.445","0.003","108.902","0.002","90.786","0.002","1635.29","0.09","150","2","150","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C32 H49 Cl2 N Si Ti -","- C32 H49 Cl2 N Si Ti -","- C64 H98 Cl4 N2 Si2 Ti2 -","2","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.043","0.0403","","","0.1148","0.1188","","","","","","0.947","","","","has coordinates,has disorder","227975","2020-10-21","18:00:00",""
"1549857","11.5225","0.0002","12.9843","0.0002","15.2891","0.0002","90","","104.979","0.002","90","","2209.7","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 Cl2 N Si Ti -","- C20 H31 Cl2 N Si Ti -","- C80 H124 Cl8 N4 Si4 Ti4 -","4","1","","Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis","Catalysis Science & Technology","2018","8","21","5454","","10.1039/C8CY01374H","","x-ray","1.54184","CuKα","","0.0337","0.0302","","","0.0897","0.0937","","","","","","0.956","","","","has coordinates","227975","2020-10-21","18:00:00",""
"1549858","16.13031","0.00015","14.54437","0.00012","17.33703","0.00017","90","","90","","90","","4067.36","0.06","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N O3 -","- C23 H26 Ir N O3 -","- C184 H208 Ir8 N8 O24 -","8","1","","Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida","Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines","Catalysis Science & Technology","2018","8","24","6316","","10.1039/C8CY01236A","","x-ray","1.54184","CuKα","","0.0191","0.0172","","","0.0437","0.045","","","","","","1.042","","","","has coordinates","227954","2020-10-21","18:00:00",""
"1549859","10.2072","0.0005","22.8173","0.0011","7.0823","0.0003","90","","90.009","0.001","90","","1649.47","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0691","0.0591","","","0.1678","0.1728","","","","","","1.264","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549860","7.2306","0.0004","7.3257","0.0004","8.8664","0.0005","106.573","0.003","100.859","0.003","94.501","0.003","437.69","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N O5 -","- C9 H7 N O5 -","- C18 H14 N2 O10 -","2","1","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0302","0.0283","","","0.0767","0.0786","","","","","","1.055","","","","has coordinates","228658","2020-10-21","18:00:00",""
"1549861","5.0866","0.0004","7.5068","0.0005","9.0684","0.0006","76.038","0.002","85.125","0.002","72.229","0.001","319.98","0.04","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu","Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals.","Chemical science","2018","9","37","7318","7326","10.1039/c8sc03447h","","","0.71073","MoKα","","0.0172","0.0172","","","0.0442","0.0442","","","","","","1.16","","","","has coordinates,has disorder","228658","2020-10-21","18:00:00",""
"1549862","30.0973","0.001","30.8663","0.001","31.9583","0.001","91.509","0.01","102.049","0.01","94.109","0.01","28934","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","- C800.5 H916 Cl20.5 Cu8 N43 O114 -","1","0.5","","Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves","Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic.","Chemical science","2018","9","43","8282","8290","10.1039/c8sc03124j","","","0.954","","","0.1211","0.1153","","","0.3647","0.3688","","","","","","1.524","","","","has coordinates,has disorder","228687","2020-10-21","18:00:00",""
"1549863","9.928","0.002","11.964","0.003","13.33","0.004","91.365","0.008","90.705","0.008","93.476","0.006","1579.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 Br2 -","- C42 H28 Br2 -","- C84 H56 Br4 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1287","0.0647","","","0.1562","0.1819","","","","","","1.042","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549864","9.859","0.004","13.666","0.004","14.502","0.006","91.78","0.03","96.21","0.03","110.33","0.03","1816.5","1.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H38 -","- C60 H38 -","- C120 H76 -","2","1","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","1.54184","CuKα","","0.2932","0.09","","","0.1676","0.2722","","","","","","0.926","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549865","9.2129","0.0016","21.272","0.004","36.423","0.006","90","","91.73","0.011","90","","7135","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34.33333 H18.66667 Cl0.66667 S2 -","- C34 H18 S2 -","- C408 H216 S24 -","12","3","","Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J.","Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction.","Chemical science","2018","9","40","7866","7873","10.1039/c8sc03236j","","","0.71073","MoKα","","0.1662","0.0724","","","0.1467","0.1829","","","","","","0.963","","","","has coordinates","228773","2020-10-21","18:00:00",""
"1549866","6.74","0.002","11.686","0.004","15.408","0.005","80.71","0.02","80.08","0.02","74.51","0.02","1143.5","0.7","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C50 H70 N2 O6 -","2","1","","Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar","Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1386","1395","10.1039/c8pp00216a","","","0.71073","MoKα","","0.3784","0.0883","","","0.1587","0.2393","","","","","","0.755","","","","has coordinates","230885","2020-10-21","18:00:00",""
"1549867","6.5854","0.0011","61.276","0.008","7.3258","0.0011","90","","90.629","0.011","90","","2956","0.8","162","2","162","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 N2 O6 -","- C35 H36 N2 O6 -","- C140 H144 N8 O24 -","4","1","","Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar","Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1386","1395","10.1039/c8pp00216a","","","0.71073","MoKα","","0.2373","0.0885","","","0.1757","0.2178","","","","","","0.835","","","","has coordinates","230885","2020-10-21","18:00:00",""
"1549868","10.7684","0.0011","9.0383","0.0009","10.859","0.0011","90","","118.567","0.003","90","","928.22","0.16","296","2","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl N3 O2 Pd -","- C20 H20 Cl N3 O2 Pd -","- C40 H40 Cl2 N6 O4 Pd2 -","2","1","","Wu, Xiaolu; Yang, Zhi; Yan, Xinwen; Zhang, Pengfei; Wang, Lin; Guo, Ge; Dong, Yuping; Li, Xiaofang","Polymerization of 1-chloro-2-phenylacetylene by cationic monoanionic tridentate (S,S)-bis(oxazolinylphenyl)amido-ligated palladium catalysts: is it a coordination‒insertion mechanism?","Polymer Chemistry","2018","9","39","4856","","10.1039/C8PY00903A","","","0.71073","MoKα","","0.0451","0.0428","","","0.1105","0.1133","","","","","","1.047","","","","has coordinates,has disorder","230959","2020-10-21","18:00:00",""
"1549869","7.9093","0.0002","13.3712","0.0004","25.3669","0.0007","90","","90","","90","","2682.72","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate‒methanol‒water (1/1/1)","","- C25 H47 N O7 -","- C25 H47 N O7 -","- C100 H188 N4 O28 -","4","1","HB4254","Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate‒methanol‒water (1/1/1)","IUCrData","2018","3","8","x181194","","10.1107/S241431461801194X","","","0.71073","MoKα","","0.069","0.0487","","","0.0887","0.0984","","","","","","1.07","","","","has coordinates,has Fobs","210292","2020-10-21","18:00:00",""
"1549870","15.7782","0.0015","7.4076","0.0007","28.567","0.003","90","","95.7271","0.0019","90","","3322.2","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","","- C9 H14 Br4 Co N4 -","- C9 H14 Br4 Co N4 -","- C72 H112 Br32 Co8 N32 -","8","1","IS4029","Peppel, Tim; Spannenberg, Anke","3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II)","IUCrData","2018","3","8","x181212","","10.1107/S2414314618012129","","","0.71073","MoKα","","0.033","0.0239","","","0.0457","0.0481","","","","","","1.049","","","","has coordinates,has Fobs","210293","2020-10-21","18:00:00",""
"1549871","7.4005","0.0008","10.4272","0.0011","10.5704","0.0011","86.076","0.002","72.382","0.002","81.325","0.002","768.3","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","","- C18 H13 Cl2 N O2 -","- C18 H13 Cl2 N O2 -","- C36 H26 Cl4 N2 O4 -","2","1","VM4038","Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu.","(<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one","IUCrData","2018","3","8","x181224","","10.1107/S2414314618012245","","","0.71073","MoKα","","0.0398","0.036","","","0.099","0.1023","","","","","","1.047","","","","has coordinates,has Fobs","210294","2020-10-21","18:00:00",""
"1549872","7.2618","0.0004","8.9419","0.0006","11.0001","0.0007","85.545","0.005","86.177","0.005","75.248","0.005","687.84","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,2'-Bipyridinium oxalate monohydrate","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","","- C13 H13 N2 O7 -","- C13 H13 N2 O7 -","- C26 H26 N4 O14 -","2","1","BT4073","Dziuk, Błażej; Jezuita, Anna","2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate","IUCrData","2018","3","8","x181219","","10.1107/S2414314618012191","","","0.71073","MoKα","","0.0434","0.0322","","","0.0857","0.0889","","","","","","1.04","","","","has coordinates,has Fobs","210295","2020-10-21","18:00:00",""
"1549873","9.7423","0.0003","11.066","0.0004","12.1673","0.0004","100.717","0.003","104.685","0.003","96.543","0.003","1228.72","0.08","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cl Ir N2 -","- C28 H34 Cl Ir N2 -","- C56 H68 Cl2 Ir2 N4 -","2","1","","Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A.","Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation.","Catalysis science & technology","2018","8","19","4925","4933","10.1039/c8cy01214h","","x-ray","1.54184","CuKα","","0.0172","0.0167","","","0.0413","0.0415","","","","","","1.085","","","","has coordinates,has disorder","227969","2020-10-21","18:00:00",""
"1549874","5.8314","0.0004","9.95","0.0006","10.2599","0.0006","71.126","0.006","76.243","0.006","77.203","0.006","540.33","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C26 H26 N2 O6 -","2","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0936","0.0685","","","0.1785","0.2046","","","","","","1.021","","","","has coordinates","230960","2020-10-21","18:00:00",""
"1549875","5.33701","0.0001","17.9259","0.0003","21.5579","0.0004","90","","92.9404","0.0017","90","","2059.74","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl N O6 -","- C24 H22 Cl N O6 -","- C96 H88 Cl4 N4 O24 -","4","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0703","0.0525","","","0.1308","0.1453","","","","","","1.021","","","","has coordinates","230960","2020-10-21","18:00:00",""
"1549876","9.1082","0.0005","10.2539","0.0006","25.5319","0.0015","90","","90","","90","","2384.5","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H14 Cl N O3 -","- C13 H14 Cl N O3 -","- C104 H112 Cl8 N8 O24 -","8","1","","Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard","Poly(2-oxazoline)s with pendant cubane groups","Polymer Chemistry","2018","9","39","4840","","10.1039/C8PY01037D","","x-ray","1.54184","CuKα","","0.0822","0.0668","","","0.1763","0.2002","","","","","","1.017","","","","has coordinates","230960","2020-10-21","18:00:00",""
"1549877","16.521","0.0005","16.521","0.0005","49.1998","0.0017","90","","90","","120","","11629.6","0.6","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C44 H37 Cl4 N6 O1.5 -","- C44.0001 H37.0002 Cl4 N6 O1.5 -","- C528.001 H444.002 Cl48 N72 O18 -","12","0.333333","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.0544","0.0486","","","0.1341","0.1371","","","","","","1.057","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549878","5.7565","0.0005","25.735","0.002","26.34","0.002","90","","91.02","0.002","90","","3901.5","0.5","93","2","93","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H32 Cl6 N6 -","- C44 H32 Cl6 N6 -","- C176 H128 Cl24 N24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","0.71075","MoKα","","0.1361","0.0911","","","0.2388","0.2893","","","","","","1.06","","","","has coordinates","228703","2020-10-21","18:00:00",""
"1549879","9.9758","0.0003","14.1235","0.0003","21.6617","0.0004","98.632","0.002","94.107","0.002","107.17","0.002","2861.15","0.12","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H60 N6 O12 S3 -","- C63 H59.78 N6 O12 S3 -","- C126 H119.56 N12 O24 S6 -","2","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation.","Chemical science","2018","9","39","7614","7619","10.1039/c8sc03086c","","","1.54184","CuKα","","0.0664","0.0488","","","0.1241","0.1332","","","","","","1.047","","","","has coordinates,has disorder","228703","2020-10-21","18:00:00",""
"1549880","9.2198","0.0005","14.0236","0.0008","15.7941","0.0008","90","","105.723","0.005","90","","1965.69","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B Cd N8 O5 -","- C17 H16 B Cd N8 O5 -","- C68 H64 B4 Cd4 N32 O20 -","4","1","","Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang","A boron imidazolate framework with mechanochromic and electrocatalytic properties","Materials Horizons","2018","5","6","1151","","10.1039/C8MH00859K","","","0.71073","MoKα","","0.0421","0.0314","","","0.0652","0.0694","","","","","","1.054","","","","has coordinates","230979","2020-10-21","18:00:00",""
"1549881","7.6043","0.0007","13.4161","0.0013","11.8847","0.0011","90","","103.676","0.003","90","","1178.1","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N O Se -","- C13 H8 Br N O Se -","- C52 H32 Br4 N4 O4 Se4 -","4","1","","Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak","Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis","IUCrJ","2018","5","5","647","653","10.1107/S2052252518011041","","","0.56086","AgKα","","0.0162","0.0162","","","0.0343","0.0343","","","","","","1.012","","","","has coordinates","210481","2020-10-21","18:00:00",""
"1549882","11.2477","0.0004","15.3784","0.0005","9.6298","0.0003","90","","114.204","0.001","90","","1519.25","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M.","Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids.","Chemical science","2018","9","44","8363","8368","10.1039/c8sc03081b","","x-ray","1.54178","CuKα","","0.0368","0.035","","","0.0906","0.0925","","","","","","1.036","","","","has coordinates","228656","2020-10-21","18:00:00",""
"1549883","6.5197","0.0006","35.222","0.003","7.231","0.0007","90","","102.838","0.01","90","","1619","0.3","119.99","0.14","119.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","decaaquodisodium 4-[2-(3-pyridyl)diazenyl]-benzoate","","- C12 H18 N3 Na O7 -","- C12 H18 N3 Na O7 -","- C48 H72 N12 Na4 O28 -","4","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","x-ray","0.71073","MoKα","","0.1114","0.0911","","","0.1631","0.1714","","","","","","1.259","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549884","35.5103","0.0007","9.6091","0.0002","37.3391","0.0008","90","","103.589","0.002","90","","12384.3","0.5","100","1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2,7,12-Tris-(2-(4-pyridylazo)ethoxy)-3,8,13-trimethoxy-10,15-dihydro-2H-tribenzo[a,d,g]cyclononene nitromethane clathrate","","- C65 H63 N11 O13 -","- C65 H63 N11 O13 -","- C520 H504 N88 O104 -","8","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.1127","0.0959","","","0.2991","0.3231","","","","","","1.36","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549885","6.1765","0.0004","7.0883","0.0004","17.5927","0.0006","88.175","0.004","83.629","0.005","69.716","0.006","717.98","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","octaaquodibis(4-[2-(4-pyridyl)diazenyl]-benzoate)sodium(I)","","- C12 H16 N3 Na O6 -","- C12 H16 N3 Na O6 -","- C24 H32 N6 Na2 O12 -","2","1","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","1.54184","CuKα","","0.042","0.0342","","","0.0911","0.0973","","","","","","1.056","","","","has coordinates","228698","2020-10-21","18:00:00",""
"1549886","9.6864","0.0005","29.786","0.002","34.468","0.004","71.898","0.008","88.532","0.006","89.954","0.005","9449.1","1.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7,12-trimethoxy-3,8,13-tris(4,3?-pyridyl-azophenylcarboxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene","","- C60 H30 N9 O9 -","- C60 H42 N9 O9 -","- C240 H168 N36 O36 -","4","2","","Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J.","Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers.","Chemical science","2018","9","42","8150","8159","10.1039/c8sc03499k","","","0.6889","synchrotron","","0.3324","0.2253","","","0.4559","0.4885","","","","","","1.711","","","","has coordinates,has disorder","228698","2020-10-21","18:00:00",""
"1549887","13.2806","0.0016","27.575","0.003","20.326","0.002","90","","99.632","0.005","90","","7338.7","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H58 B Br Co F24 P4 -","- C75 H58 B Br Co F24 P4 -","- C300 H232 B4 Br4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1111","0.0581","","0.1324","0.1047","0.1313","","","","","","1.0304","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549888","13.0252","0.0015","17.6478","0.0019","18.721","0.002","103.179","0.004","108.177","0.003","99.43","0.003","3850.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H67 B Co F24 P4 -","- C84 H67 B Co F24 P4 -","- C168 H134 B2 Co2 F48 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.073","0.0491","","0.1304","0.1132","0.1304","","","","","","0.9753","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549889","15.234","0.003","17.698","0.003","18.812","0.003","107.508","0.007","101.067","0.008","114.08","0.005","4117.5","1.3","100","2","99.94","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H60 B Co F24.5 P4 S -","- C79 H60 B Co F24.4997 P4 S -","- C158 H120 B2 Co2 F48.9994 P8 S2 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.177","0.0763","","","0.1773","0.237","","","","","","1.015","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549890","14.313","0.001","28.967","0.002","18.3198","0.0012","90","","104.992","0.005","90","","7336.9","0.9","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H54 B Co F24 O P3 -","- C79 H54 B Co F24 O P3 -","- C316 H216 B4 Co4 F96 O4 P12 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.54178","CuKα","","0.1972","0.0789","","","0.1765","0.2557","","","","","","0.943","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549891","15.392","0.004","16.404","0.004","17.511","0.004","72.538","0.008","72.836","0.008","86.072","0.009","4028.8","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H70 B Co F24 P3 -","- C86 H70 B Co F24 P3 -","- C172 H140 B2 Co2 F48 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1116","0.0567","","0.1703","0.124","0.169","","","","","","0.9484","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549892","12.6883","0.0009","18.4229","0.0013","18.5758","0.0012","115.784","0.0019","99.469","0.002","97.331","0.002","3758.4","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80.5 H65 B Co F24 N P3 -","- C80.5 H65 B Co F24 N P3 -","- C161 H130 B2 Co2 F48 N2 P6 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1218","0.061","","0.1299","0.1113","0.1298","","","","","","0.9321","","","","has coordinates","228685","2020-10-21","18:00:00",""
"1549893","18.5988","0.0009","21.2082","0.0017","18.9102","0.0012","90","","90.121","0.002","90","","7459.1","0.8","100","2","99.99","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.75 H61.5 B Co F24.12 N P4 -","- C77.75 H61.5 B Co F24.123 N P4 -","- C311 H246 B4 Co4 F96.492 N4 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1797","0.0972","","","0.2245","0.2786","","","","","","1.044","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549894","13.183","0.003","16.54","0.003","16.808","0.003","82.81","0.006","83.316","0.007","84.81","0.007","3600.7","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H58 B Co F24 O P4 -","- C75 H58 B Co F24 O P4 -","- C150 H116 B2 Co2 F48 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.1164","0.0786","","0.2229","0.1848","0.2222","","","","","","0.9973","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549895","11.8224","0.0006","19.1322","0.0011","33.4483","0.0015","90","","97.5642","0.0019","90","","7499.8","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H59 B Co F24 P4 -","- C75 H59 B Co F24 P4 -","- C300 H236 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0575","0.0525","","0.1371","0.1347","0.1371","","","","","","0.9405","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549896","14.706","0.0006","15.1357","0.0005","19.031","0.0007","71.3492","0.0013","83.8715","0.0014","80.5636","0.0015","3952.6","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H64 B Co F25 O P4 -","- C81 H64 B Co F25 O P4 -","- C162 H128 B2 Co2 F50 O2 P8 -","2","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","0.71073","MoKα","","0.0621","0.0508","","0.1426","0.1296","0.1426","","","","","","1.0241","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549897","16.2021","0.0005","25.658","0.0009","18.5436","0.0006","90","","90.185","0.002","90","","7708.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H64 B Co F24 P4 -","- C83 H64 B Co F24 P4 -","- C332 H256 B4 Co4 F96 P16 -","4","1","","Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D.","Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N).","Chemical science","2018","9","43","8234","8241","10.1039/c8sc02782j","","","1.5418","CuKα","","0.2019","0.1126","","0.3487","0.2676","0.3482","","","","","","0.9381","","","","has coordinates,has disorder","228685","2020-10-21","18:00:00",""
"1549898","5.6271","0.0004","21.1764","0.0014","8.2787","0.0005","90","","105.86","0.002","90","","948.95","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","","- C22 H36 N2 -","- C22 H36 N2 -","- C44 H72 N4 -","2","0.5","BV4021","Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter","1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine","IUCrData","2018","3","9","x181237","","10.1107/S2414314618012373","","","0.71073","MoKα","","0.059","0.0448","","","0.1084","0.118","","","","","","1.027","","","","has coordinates,has Fobs","210558","2020-10-21","18:00:00",""
"1549899","5.859","0.005","7.479","0.006","16.329","0.014","93.818","0.012","91.29","0.03","94.252","0.01","711.7","1","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C30 H28 N8 O6 -","2","2","TK4050","Wang, Zhaodong; Ni, Haitao","Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate","IUCrData","2018","3","9","x181230","","10.1107/S2414314618012300","","","0.71073","MoKα","","0.0705","0.0501","","","0.099","0.106","","","","","","1.118","","","","has coordinates,has Fobs","210559","2020-10-21","18:00:00",""
"1549900","4.6987","0.0007","4.6987","0.0007","9.1296","0.0001","90","","90","","90","","201.56","0.04","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","ZnTiTa2O8","","","- O2 Ta0.5 Ti0.25 Zn0.25 -","- O2 Ta0.5 Ti0.25 Zn0.25 -","- O12 Ta3 Ti1.5 Zn1.5 -","6","0.375","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210561","2020-10-21","18:00:00",""
"1549901","4.67138","0.00006","5.65916","0.00007","5.00745","0.00006","90","","90","","90","","132.377","0.003","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","ZnTiNb2O8","","","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb0.5 O2 Ti0.25 Zn0.25 -","- Nb2 O8 Ti Zn -","4","0.5","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210562","2020-10-21","18:00:00",""
"1549902","4.69585","0.00008","4.69585","0.00008","3.0426","0.00006","90","","90","","90","","67.092","0.002","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","MgTiNb2O8","","","- Mg0.25 Nb0.5 O2 Ti0.25 -","- Mg0.5 Nb O4 Ti0.5 -","- Mg0.5 Nb O4 Ti0.5 -","1","0.0625","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210563","2020-10-21","18:00:00",""
"1549903","4.6876","0.0002","4.6876","0.0002","9.1385","0.0003","90","","90","","90","","200.806","0.014","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","MgTiTa2O8","","","- Mg0.25 O2 Ta0.5 Ti0.25 -","- Mg0.25 O2 Ta0.5 Ti0.25 -","- Mg1.5 O12 Ta3 Ti1.5 -","6","0.375","","Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.","Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)","Journal of Asian Ceramic Societies","2018","6","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","210564","2020-10-21","18:00:00",""
"1549904","7.4134","0.0003","8.4142","0.0003","12.1239","0.0004","84.72","0.003","88.99","0.003","84.549","0.003","749.62","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","NLL153","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.7107","MoKα","","0.0477","0.0366","","","0.0852","0.0894","","","","","","1.033","","","","has coordinates","227971","2020-10-21","18:00:00",""
"1549905","6.2605","0.0004","9.8392","0.0006","12.7844","0.0007","67.7938","0.0014","88.4599","0.0015","84.1325","0.0016","725.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","HFP1255","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton","Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study","Catalysis Science & Technology","2018","8","20","5251","","10.1039/C8CY00684A","","","0.71073","MoKα","","0.0416","0.0364","","","0.0984","0.1026","","","","","","1.025","","","","has coordinates","227971","2020-10-21","18:00:00",""
"1549906","7.652","0.009","14.111","0.019","15.379","0.019","90","","90","","90","","1661","4","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aF-Me2","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0496","","","","0.1245","","","","","","0.966","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549907","15.147","0.005","15.449","0.005","16.488","0.005","82.861","0.012","80.898","0.01","78.48","0.008","3716","2","150","","150","","","","","","","","","3","P -1","-P 1","2","","11D-Me2","","- C26 H20 N2 -","- C26 H20 N2 -","- C208 H160 N16 -","8","4","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0731","","","","0.1916","","","","","","1.113","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549908","13.252","0.006","5.704","0.002","42.601","0.019","90","","90","","90","","3220","2","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","7aF-Me2","","- C22 H18 N2 -","- C22 H13 N2 -","- C176 H104 N16 -","8","2","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0697","","","","0.2052","","","","","","1.026","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549909","18.8567","0.0003","20.0714","0.0004","19.2011","0.0004","90","","102.741","0.002","90","","7088.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50.5 Ce0.5 N3 O1.5 -","- C33 H50.5 Ce0.5 N3 O1.5 -","- C264 H404 Ce4 N24 O12 -","8","2","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.1309","0.0975","","","0.2069","0.2261","","","","","","1.041","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549910","14.083","0.0003","17.4883","0.0002","15.0209","0.0002","90","","99.155","0.002","90","","3652.34","0.1","120","","120","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C62 H100 Br4 Ce2 Li2 N6 O4 -","- C124 H200 Br8 Ce4 Li4 N12 O8 -","2","0.5","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0481","0.0345","","","0.0806","0.0876","","","","","","1.074","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549911","16.491","0.0003","25.6698","0.0004","18.9736","0.0004","90","","100.574","0.002","90","","7895.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H105 Ce N8 O3 S2 -","- C70 H105 Ce N8 O3 S2 -","- C280 H420 Ce4 N32 O12 S8 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0766","0.0538","","","0.1297","0.1444","","","","","","1.005","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549912","17.1931","0.0006","18.0941","0.0005","18.142","0.0005","60.078","0.003","63.808","0.003","83.013","0.003","4353.9","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C77 H93 Ce N6 O9 -","- C72 H107 Ce N6 O9 -","- C144 H214 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0687","0.0574","","","0.1397","0.147","","","","","","1.043","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549913","15.9574","0.0007","17.7857","0.0004","17.8098","0.0005","62.686","0.002","69.389","0.003","77.518","0.003","4194.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H99 Ce N6 O9 -","- C73 H102 Ce N6 O9 -","- C146 H204 Ce2 N12 O18 -","2","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","1.54184","CuKα","","0.1098","0.0966","","","0.2589","0.2718","","","","","","0.95","","","","has coordinates","228697","2020-10-21","18:00:00",""
"1549914","12.6458","0.0002","24.6116","0.0004","24.4523","0.0004","90","","93.8","0.001","90","","7593.6","0.2","120.01","0.13","120.01","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H105 Ce N6 O3 -","- C84 H105 Ce N6 O3 -","- C336 H420 Ce4 N24 O12 -","4","1","","Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D.","Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes.","Chemical science","2018","9","42","8035","8045","10.1039/c8sc03312a","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.1236","0.1419","","","","","","0.916","","","","has coordinates,has disorder","228697","2020-10-21","18:00:00",""
"1549915","33.2202","0.0013","13.2404","0.0005","15.202","0.0005","90","","113.392","0.001","90","","6137","0.4","120","2","120.03","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0933","0.0438","","","0.0809","0.1038","","","","","","1.09","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549916","33.4492","0.0011","13.0989","0.0005","16.2467","0.0006","90","","112.538","0.003","90","","6574.8","0.4","280","1","280","1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.1592","0.0679","","","0.0766","0.1098","","","","","","0.97","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549917","33.557","0.006","13.117","0.002","16.174","0.002","90","","112.407","0.005","90","","6581.8","1.8","280","2","280.02","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 Fe2 N12 -","- C72 H44 Au4 Fe2 N12 -","- C288 H176 Au16 Fe8 N48 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.098","0.0404","","","0.0716","0.0873","","","","","","0.996","","","","has coordinates,has disorder","228655","2020-10-21","18:00:00",""
"1549918","33.219","0.003","12.9438","0.001","16.3125","0.0013","90","","111.934","0.003","90","","6506.3","0.9","120","2","119.94","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C72 H44 Au4 N12 Zn2 -","- C72 H44 Au4 N12 Zn2 -","- C288 H176 Au16 N48 Zn8 -","4","1","","Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio","Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer.","Chemical science","2018","9","44","8446","8452","10.1039/c8sc02677g","","","0.71073","MoKα","","0.0877","0.0738","","","0.1969","0.209","","","","","","1.053","","","","has coordinates","228655","2020-10-21","18:00:00",""
"1549919","7.8612","0.0003","9.8518","0.0005","27.1605","0.0014","90","","90","","90","","2103.5","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N4 O S -","- C23 H16 N4 O S -","- C92 H64 N16 O4 S4 -","4","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0615","0.0548","","","0.1558","0.1638","","","","","","1.092","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549920","8.7916","0.0002","5.6255","0.0001","14.7562","0.0003","90","","95.407","0.002","90","","726.55","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H10 N3 S2 -","- C17 H11 N3 S2 -","- C34 H22 N6 S4 -","2","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0329","0.0311","","","0.0814","0.0834","","","","","","1.037","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549921","8.098","0.0005","10.0379","0.0007","10.4154","0.0007","116.381","0.004","111.697","0.003","92.496","0.004","682.41","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C26 H34 N6 O8 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0878","0.0516","","","0.1145","0.1328","","","","","","1.05","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549922","6.695","0.0013","10.327","0.002","13.555","0.003","107.4","0.03","92.61","0.03","102.79","0.03","865.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C38 H42 N6 O10 -","2","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0576","0.0506","","","0.1359","0.1425","","","","","","1.044","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549923","9.999","0.002","17.469","0.004","8.521","0.0017","90","","98.76","0.03","90","","1471","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0575","0.0485","","","0.1211","0.1275","","","","","","1.066","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549924","8.789","0.0018","10.706","0.002","17.342","0.004","90","","99.97","0.03","90","","1607.2","0.6","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 N3 O6 -","- C14 H23 N3 O6 -","- C56 H92 N12 O24 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0818","0.0552","","","0.1305","0.1465","","","","","","1.05","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549925","12.8188","0.0008","6.1493","0.0004","13.1714","0.0008","90","","99.328","0.002","90","","1024.53","0.11","150","","149.61","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.0534","0.0446","","","0.1121","0.1203","","","","","","1.045","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549926","11.8801","0.0013","9.9317","0.0011","20.246","0.002","90","","104.31","0.004","90","","2314.7","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 N3 O5 -","- C24 H31 N3 O5 -","- C96 H124 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1396","0.0764","","","0.1998","0.246","","","","","","1.028","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549927","6.747","0.0014","22.937","0.005","13.927","0.003","90","","90.66","0.03","90","","2155.1","0.8","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","OMe-a","","- C20 H21 Cl3 D N3 O5 -","- C20 H21 Cl3 D N3 O5 -","- C80 H84 Cl12 D4 N12 O20 -","4","1","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.05","0.0452","","","0.1194","0.1225","","","","","","1.11","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549928","11.253","0.002","15.863","0.003","22.909","0.005","90","","99.957","0.003","90","","4027.8","1.4","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 N3 O7.5 -","- C19 H28 N3 O7.5 -","- C152 H224 N24 O60 -","8","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1013","0.0732","","","0.1872","0.2083","","","","","","1.053","","","","has coordinates","228688","2020-10-21","18:00:00",""
"1549929","10.42","0.002","13.2","0.003","13.9","0.003","89.03","0.03","85.92","0.03","75.68","0.03","1847.8","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15.5 H20.27 Cl N3 O4.64 -","- C15.5 H21.1105 Cl N3 O4.55525 -","- C62 H84.442 Cl4 N12 O18.221 -","4","2","","Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E.","Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches.","Chemical science","2018","9","43","8242","8252","10.1039/c8sc03218a","","","0.71073","MoKα","","0.1089","0.0935","","","0.2851","0.3019","","","","","","1.042","","","","has coordinates,has disorder","228688","2020-10-21","18:00:00",""
"1549930","37.232","0.008","37.232","0.008","80.093","0.018","90","","90","","120","","96152","4","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 Co48 N72 O126 S48 -","- C642 H600 Cl12 Co48 N72 O126 S48 -","- C1926 H1800 Cl36 Co144 N216 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.0915","0.0735","","","0.2054","0.2227","","","","","","0.982","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549931","37.799","0.006","37.799","0.006","86.192","0.013","90","","90","","120","","106649","3","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C642 H612 Cl12 N72 Ni48 O126 S48 -","- C642 H600 Cl12 N72 Ni48 O126 S48 -","- C1926 H1800 Cl36 N216 Ni144 O378 S144 -","3","0.166667","","Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping","Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene.","Chemical science","2018","9","45","8535","8541","10.1039/c8sc03193b","","","0.71073","MoKα","","0.1109","0.0617","","","0.1536","0.1692","","","","","","1.03","","","","has coordinates,has disorder","228843","2020-10-21","18:00:00",""
"1549932","8.596","0.0006","9.3242","0.0008","9.5215","0.0007","101.132","0.007","103.244","0.006","96.071","0.006","719.84","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian","Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol.","Chemical science","2018","9","43","8253","8259","10.1039/c8sc03339k","","","1.54184","CuKα","","0.0547","0.051","","","0.1461","0.152","","","","","","1.111","","","","has coordinates","228689","2020-10-21","18:00:00",""
"1549933","22.637","0.006","9.781","0.003","23.089","0.006","90","","118.062","0.004","90","","4511","2","203","2","203","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C49 H50 N6 O Y -","- C49 H50 N6 O Y -","- C196 H200 N24 O4 Y4 -","4","1","","Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng","Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates","Catalysis Science & Technology","2018","8","21","5573","","10.1039/C8CY01481G","","","0.71073","MoKα","","0.0584","0.0437","","","0.1321","0.1459","","","","","","1.051","","","","has coordinates","227976","2020-10-21","18:00:00",""
"1549934","26.0567","0.0005","14.2086","0.0003","28.6868","0.0006","90","","94.091","0.002","90","","10593.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","1","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","1","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.081","0.0576","","","0.1504","0.1668","","","","","","1.013","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549935","19.0205","0.0003","20.3813","0.0004","30.1755","0.0005","90","","90","","90","","11697.9","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","2","","","- C114 H108 N16 O12 -","- C114 H108 N16 O12 -","- C456 H432 N64 O48 -","4","0.5","","Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu","Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene.","Chemical science","2018","9","47","8814","8818","10.1039/c8sc03404d","","x-ray","1.54184","CuKα","","0.0634","0.054","","","0.161","0.1688","","","","","","1.072","","","","has coordinates","228760","2020-10-21","18:00:00",""
"1549936","22.923","0.002","11.8528","0.0011","15.482","0.003","90","","127.476","0.002","90","","3338.3","0.8","100","","100","","","","","","","","see text","7","C 1 2/m 1","-C 2y","12","","","","- C20 H26 Cu F18 N8 O P3 -","- C20 H26 Cu F18.008 N8 O1.002 P3.002 -","- C80 H104 Cu4 F72.032 N32 O4.008 P12.008 -","4","0.5","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0894","0.0655","","","0.1435","0.1561","","","","","","1.036","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549937","26.95","0.002","11.628","0.0008","21.3978","0.0016","90","","90.293","0.004","90","","6705.4","0.8","106","","106","","","","","","","","see text","8","C 1 c 1","C -2yc","9","","","","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C42 H59 Cu4 F24 N17 O4 P4 S4 -","- C168 H236 Cu16 F96 N68 O16 P16 S16 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0666","0.0577","","","0.1459","0.1539","","","","","","1.044","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549938","10.1257","0.0013","12.8486","0.0017","14.7435","0.0018","110.335","0.006","96.001","0.007","97.292","0.007","1761.1","0.4","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C22 H28 F18 N11 O P3 -","- C22 H28 F18 N11 O P3 -","- C44 H56 F36 N22 O2 P6 -","2","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.069","0.0446","","","0.0955","0.1063","","","","","","1.027","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549939","13.8276","0.0018","17.576","0.002","22.488","0.003","90","","97.359","0.004","90","","5420.3","1.2","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C37 H36 Cl4 Cu3 F9 N16 O11 S3 -","- C148 H144 Cl16 Cu12 F36 N64 O44 S12 -","4","1","","Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E","A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate.","Chemical science","2018","9","43","8307","8314","10.1039/c8sc01834k","","x-ray","0.71073","MoKα","","0.0929","0.0839","","","0.1972","0.2023","","","","","","1.098","","","","has coordinates,has disorder","228684","2020-10-21","18:00:00",""
"1549940","13.2572","0.0006","5.1221","0.0002","16.7741","0.0008","90","","97.5575","0.0019","90","","1129.15","0.09","120","","120","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-fluoro-1,3-diphenyl-1,3-propanedione","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0412","0.0342","","","0.0848","0.0884","","","","","","1.153","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549941","11.1604","0.0008","11.7655","0.0008","10.819","0.0008","90","","114.318","0.0017","90","","1294.57","0.16","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0813","0.0721","","","0.2084","0.2243","","","","","","1.105","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549942","8.5592","0.0005","12.9739","0.0008","12.3376","0.0008","90","","102.407","0.0017","90","","1338.05","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-fluoro-1,3-bis(4-methylphenyl)-1,3-propandione","","- C17 H15 F O2 -","- C17 H15 F O2 -","- C68 H60 F4 O8 -","4","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.058","","","0.1632","0.1749","","","","","","1.086","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549943","4.3647","0.0004","11.5018","0.001","12.3118","0.0011","90","","94.065","0.003","90","","616.52","0.1","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C30 H18 F6 O4 -","2","1","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0536","0.0415","","","0.093","0.0981","","","","","","1.044","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549944","6.0944","0.0008","30.676","0.004","6.881","0.0009","90","","90","","90","","1286.4","0.3","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2-fluoro-1,3-bis(4-chlorophenyl)-1,3-propanedione","","- C15 H9 Cl2 F O2 -","- C15 H9 Cl2 F O2 -","- C60 H36 Cl8 F4 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0527","0.0436","","","0.0941","0.0971","","","","","","1.213","","","","has coordinates","228753","2020-10-21","18:00:00",""
"1549945","31.944","0.002","7.0229","0.0005","6.1827","0.0005","90","","90","","90","","1387.02","0.17","120","","120","","","","","","","","","4","C m c 21","C 2c -2","36","","2-fluoro-1,3-bis(4-methoxyphenyl)-1,3-propanedione","","- C17 H15 F O4 -","- C17 H15 F O4 -","- C68 H60 F4 O16 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0447","0.037","","","0.0953","0.0994","","","","","","1.042","","","","has coordinates,has disorder","228753","2020-10-21","18:00:00",""
"1549946","28.403","0.002","6.1029","0.0004","6.9953","0.0005","90","","102.753","0.003","90","","1182.66","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-fluoro-1,3-bis(4'-fluorophenyl)-1,3-propanedione","","- C15 H9 F3 O2 -","- C15 H9 F3 O2 -","- C60 H36 F12 O8 -","4","0.5","","Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W.","A quantitative reactivity scale for electrophilic fluorinating reagents.","Chemical science","2018","9","46","8692","8702","10.1039/c8sc03596b","","x-ray","0.71073","MoKα","","0.0523","0.0415","","","0.1156","0.123","","","","","","1.054","","","","has coordinates","288478","2023-12-21","16:01:39",""
"1549947","8.99566","0.00012","21.5226","0.0003","9.8982","0.00012","90","","90","","90","","1916.39","0.04","380","","380","","","","","","","","","3","P c a m","-P 2c 2ac","57","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C80 H96 N16 -","8","1","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","powder diffraction","x-ray","1.54051","CuKα-1-","","0.0611","0.0442","","0.0448","0.0415","","","","1.28","","","","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1549948","9.0006","0.0002","20.7778","0.0004","9.7487","0.0002","90","","90","","90","","1823.13","0.07","200","0.1","200","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C80 H96 N16 -","8","2","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","","x-ray","1.5418","CuKα","","0.0315","0.0311","","","0.044","0.0441","","","","3.08","3.08","3.06","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1549949","8.6825","0.0008","42.095","0.006","9.7523","0.0009","90","","90","","90","","3564.4","0.7","150.01","0.1","150.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","2-propyl-1H-benzimidazole","","","- C10 H12 N2 -","- C10 H12 N2 -","- C160 H192 N32 -","16","4","","Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose","Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole","IUCrJ","2018","5","6","","","10.1107/S2052252518011685","","x-ray","1.5418","CuKα","","0.0416","0.0405","","","0.0642","0.0645","","","","3.57","3.57","3.53","","","","has coordinates","210977","2020-10-21","18:00:00",""
"1549950","9.362","0.0004","11.6073","0.0005","15.0732","0.0007","90","","98.859","0.002","90","","1618.43","0.12","296","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(Dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","BV4020","Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G.","Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181273","","10.1107/S2414314618012737","","","0.71073","MoKα","","0.0626","0.0444","","","0.1196","0.1333","","","","","","1.051","","","","has coordinates,has Fobs","210979","2020-10-21","18:00:00",""
"1549951","12.0255","0.0002","8.9303","0.0002","15.8822","0.0003","90","","95.813","0.001","90","","1696.84","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","","- C17 H24 N2 O S -","- C17 H24 N2 O S -","- C68 H96 N8 O4 S4 -","4","1","HB4260","Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; El Hafi, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T.","4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate","IUCrData","2018","3","9","x181276","","10.1107/S2414314618012762","","","1.54178","CuKα","","0.0549","0.0439","","","0.1126","0.1251","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","210980","2020-10-21","18:00:00",""
"1549952","7.9937","0.0005","9.3819","0.0006","12.2131","0.0008","72.552","0.003","86.895","0.003","67.288","0.003","804.06","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4H-chromen-4-one","","- C21 H16 O4 -","- C21 H16 O4 -","- C42 H32 O8 -","2","1","SJ4189","Sung, Jiha","6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181277","","10.1107/S2414314618012774","","","0.71073","MoKα","","0.1448","0.0555","","","0.1032","0.1329","","","","","","1.018","","","","has coordinates,has Fobs","210981","2020-10-21","18:00:00",""
"1549953","10.9035","0.0003","11.9862","0.0004","12.6785","0.0005","90","","90","","90","","1656.97","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl Sb -","- C18 H15 Au Cl Sb -","- C72 H60 Au4 Cl4 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0679","0.0419","","","0.0637","0.0736","","","","","","0.899","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549954","12.1481","0.001","29.298","0.002","12.605","0.001","90","","94.0574","0.0015","90","","4475.1","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C45.6 H51 Au2 Cl2 O0.9 Sb2 -","- C182.4 H204 Au8 Cl8 O3.6 Sb8 -","4","2","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0998","0.0786","","","0.193","0.2134","","","","","","1.08","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549955","18.6854","0.0003","14.9411","0.0003","28.657","0.0005","90","","97.503","0.001","90","","7932","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85.25 H73.25 Au Cl6 Sb5 -","- C85.202 H73.335 Au Cl5.9335 Sb4.9335 -","- C340.808 H293.34 Au4 Cl23.734 Sb19.734 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.1416","0.0628","","","0.0928","0.1186","","","","","","1.026","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549956","16.7528","0.0008","46.762","0.002","22.2312","0.0011","90","","96.6202","0.0016","90","","17299.7","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C169 H142 Au13 B Cl6 Sb8 -","- C169 H142 Au13 B Cl6 Sb8 -","- C676 H568 Au52 B4 Cl24 Sb32 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0955","0.0741","","","0.1752","0.1914","","","","","","1.068","","","","has coordinates,has disorder","228752","2020-10-21","18:00:00",""
"1549957","24.5859","0.0004","11.8194","0.0002","26.9019","0.0004","90","","116.277","0.001","90","","7009.6","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C77 H77 Au Cl2 Sb4 -","- C77 H77 Au Cl2 Sb4 -","- C308 H308 Au4 Cl8 Sb16 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0765","0.044","","","0.0806","0.0955","","","","","","1.047","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549958","23.2608","0.0014","10.7528","0.0006","17.423","0.001","90","","117.976","0.001","90","","3848.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 F6 N8 Ni2 O4 S2 -","- C30 H46 F6 N8 Ni2 O4 S2 -","- C120 H184 F24 N32 Ni8 O16 S8 -","4","0.5","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.0575","0.0468","","","0.1382","0.1463","","","","","","1.054","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549959","13.3985","0.0006","16.8518","0.0009","18.0347","0.0009","112.816","0.001","92.719","0.001","91.167","0.002","3745.9","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H88 F12 N12 Ni2 O5 S4 -","- C63 H88 F12 N12 Ni2 O5 S4 -","- C126 H176 F24 N24 Ni4 O10 S8 -","2","1","","Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C.","Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD.","Chemical science","2018","9","45","8567","8574","10.1039/c8sc03321h","","","0.71073","MoKα","","0.1066","0.0745","","","0.1782","0.2002","","","","","","1.028","","","","has coordinates,has disorder","228841","2020-10-21","18:00:00",""
"1549960","22.1222","0.0007","15.3352","0.0005","15.7519","0.0005","90","","92.864","0.003","90","","5337.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Fe2 N4 P3 -","- C54 H74 Fe2 N4 P3 -","- C216 H296 Fe8 N16 P12 -","4","0.5","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54184","CuKα","","0.0595","0.0554","","","0.1489","0.1566","","","","","","1.04","","","","has coordinates","228844","2020-10-21","18:00:00",""
"1549961","18.0839","0.0004","18.8962","0.0003","13.6307","0.0002","90","","115.729","0.002","90","","4196.05","0.15","150","0.1","150","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","- C164 H244 Fe4 K2 N8 O14 P6 -","1","0.125","","Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias","From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting.","Chemical science","2018","9","45","8590","8597","10.1039/c8sc03407a","","","1.54178","CuKα","","0.0828","0.0757","","","0.219","0.2278","","","","","","1.054","","","","has coordinates,has disorder","228844","2020-10-21","18:00:00",""
"1549962","24.7983","0.0002","10.6757","0.0001","12.3066","0.0001","90","","101.737","0.001","90","","3189.92","0.05","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H24 N4 O8 -","- C34 H24 N4 O8 -","- C136 H96 N16 O32 -","4","1","","Schierl, Christoph; Niazov-Elkan, Angelica; Shimon, Linda J. W.; Feldman, Yishay; Rybtchinski, Boris; Guldi, Dirk M.","Singlet fission in self-assembled PDI nanocrystals.","Nanoscale","2018","10","43","20147","20154","10.1039/c8nr04155e","","","1.54184","CuKα","","0.0835","0.0813","","","0.2421","0.2455","","","","","","1.075","","","","has coordinates,has disorder","230149","2020-10-21","18:00:00",""
"1549963","11.0105","0.0003","11.0264","0.0002","15.8268","0.0003","90","","90","","90","","1921.47","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N3 O3 -","- C23 H16 Cl N3 O3 -","- C92 H64 Cl4 N12 O12 -","4","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0534","0.0424","","","0.0794","0.0839","","","","","","1.072","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549964","5.7355","0.0001","16.4707","0.0003","10.5767","0.0002","90","","105.481","0.0009","90","","962.91","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N3 O3 -","- C23 H16 Br N3 O3 -","- C46 H32 Br2 N6 O6 -","2","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0359","0.03","","","0.0629","0.0653","","","","","","1.035","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1549965","11.9382","0.0002","26.6092","0.0003","16.1416","0.0003","90","","93.06","0.002","90","","5120.33","0.14","140","0.9","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27.5 Au F6 N2.5 P S2 -","- C21 H27.5 Au F6 N2.5 P S2 -","- C168 H220 Au8 F48 N20 P8 S16 -","8","2","","Williams, Morwen; Bertrand, Benoît; Hughes, David L.; Waller, Zoe Ann Ella; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Searcey, Mark; Bochmann, Manfred","Cyclometallated Au(III) dithiocarbamate complexes: synthesis, anticancer evaluation and mechanistic studies.","Metallomics","2018","","","","","10.1039/C8MT00225H","","","0.71073","Mo-Kα","","0.0285","0.0242","","","0.0479","0.049","","","","","","1.154","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1549966","18.6131","0.0013","18.2243","0.0013","15.8867","0.0011","90","","110.757","0.001","90","","5039.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","","- C30 H24 N4 O2 S -","- C30 H24 N4 O2 S -","- C240 H192 N32 O16 S8 -","8","1","FF4027","Muthuselvi, C.; Athimoolam, S.; Srinivasan, N.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V.","Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate","IUCrData","2018","3","9","x181286","","10.1107/S2414314618012865","","","0.71073","MoKα","","0.0808","0.0643","","","0.1705","0.1859","","","","","","1.034","","","","has coordinates,has Fobs","211060","2020-10-21","18:00:00",""
"1549967","6.8768","0.0003","15.854","0.0008","16.6138","0.0006","90","","91.265","0.004","90","","1810.87","0.14","295.5","0.5","295.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 -","- C22 H19 N5 -","- C88 H76 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0697","0.0617","","","0.1606","0.1738","","","","","","1.04","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549968","11.7851","0.0004","19.9797","0.0006","8.1892","0.0003","90","","97.235","0.003","90","","1912.9","0.11","297.5","0.3","297.5","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0679","0.0588","","","0.1624","0.1753","","","","","","1.019","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549969","8.038","0.0006","10.3402","0.0008","11.9954","0.0009","73.536","0.007","81.046","0.007","84.939","0.006","943.44","0.13","296.3","0.5","296.3","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C46 H36 N12 -","2","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.0782","0.0684","","","0.1844","0.1999","","","","","","1.047","","","","has coordinates","228764","2020-10-21","18:00:00",""
"1549970","13.8657","0.0004","8.21008","0.00019","18.9838","0.0006","90","","111.052","0.003","90","","2016.85","0.11","296.5","0.6","296.5","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N5 -","- C23 H18 F3 N5 -","- C92 H72 F12 N20 -","4","1","","Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi","Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging.","Chemical science","2018","9","48","8969","8974","10.1039/c8sc03369b","","x-ray","1.54184","CuKα","","0.07","0.0657","","","0.1531","0.1593","","","","","","1.086","","","","has coordinates,has disorder","228764","2020-10-21","18:00:00",""
"1549971","8.8767","0.0007","14.5893","0.0011","19.0022","0.0014","107.139","0.002","97.232","0.002","101.356","0.002","2260.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H63 Cl2 Co N5 O8 S3 -","- C38 H63 Cl2 Co N5 O8 S3 -","- C76 H126 Cl4 Co2 N10 O16 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.05","0.0478","","","0.1237","0.125","","","","","","1.061","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549972","21.1512","0.0008","9.0244","0.0004","21.2686","0.0009","90","","95.072","0.002","90","","4043.8","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Co N5 O6 S3 -","- C37 H57 Co N5 O6 S3 -","- C148 H228 Co4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0566","0.0413","","","0.0913","0.0984","","","","","","1.044","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549973","21.0944","0.0017","8.9422","0.0008","21.3506","0.0017","90","","94.977","0.002","90","","4012.2","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 N5 Ni O6 S3 -","- C37 H57 N5 Ni O6 S3 -","- C148 H228 N20 Ni4 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.1159","0.0901","","","0.2308","0.243","","","","","","1.156","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549974","8.9571","0.0007","14.5969","0.0011","18.6587","0.0014","107.64","0.001","99.252","0.001","103.157","0.001","2193.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H66 N5 Ni O8.5 S3 -","- C39 H66 N5 Ni O8.5 S3 -","- C78 H132 N10 Ni2 O17 S6 -","2","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","1.54178","CuKα","","0.0306","0.0294","","","0.0783","0.0792","","","","","","1.038","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549975","21.195","0.0006","9.0313","0.0003","21.2797","0.0006","90","","94.91","0.001","90","","4058.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 Fe N5 O6 S3 -","- C37 H57 Fe N5 O6 S3 -","- C148 H228 Fe4 N20 O24 S12 -","4","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0598","0.0432","","","0.0928","0.0977","","","","","","1.11","","","","has coordinates","228768","2020-10-21","18:00:00",""
"1549976","26.656","0.0008","9.6645","0.0003","31.5226","0.0009","90","","90.44","0.001","90","","8120.5","0.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H59 Fe N5 O7 S3 -","- C37 H59 Fe N5 O7 S3 -","- C296 H472 Fe8 N40 O56 S24 -","8","1","","Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules.","Chemical science","2018","9","48","9018","9026","10.1039/c8sc02820f","","x-ray","0.71073","MoKα","","0.0549","0.0384","","","0.0851","0.0906","","","","","","1.055","","","","has coordinates,has disorder","228768","2020-10-21","18:00:00",""
"1549977","19.4375","0.0012","19.5121","0.0011","19.5367","0.0013","100.446","0.002","113.716","0.002","102.272","0.002","6327.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C192 H288 Ag51.08 O0 -","- C192 H288 Ag51.06 -","- C192 H288 Ag51.06 -","1","0.5","","Duan, Guang-Xiong; Tian, Lin; Wen, Jun-Bo; Li, Lan-Yun; Xie, Yun-Peng; Lu, Xing","An atomically precise all-tert-butylethynide-protected Ag<sub>51</sub> superatom nanocluster with color tunability.","Nanoscale","2018","10","40","18915","18919","10.1039/c8nr06399k","","","0.6525","synchrotron","","0.1575","0.1318","","","0.3098","0.3329","","","","","","1.045","","","","has coordinates,has disorder","230153","2020-10-21","18:00:00",""
"1549978","22.3701","0.0006","6.8836","0.0002","15.7987","0.0004","90","","106.058","0.0013","90","","2337.88","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","","- C15 H9 F O3 -","- C15 H9 F O3 -","- C120 H72 F8 O24 -","8","2","FF4028","Koh, Dongsoo","2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one","IUCrData","2018","3","9","x181332","","10.1107/S2414314618013329","","","0.71073","MoKα","","0.0952","0.0485","","","0.1104","0.1341","","","","","","1.027","","","","has coordinates,has Fobs","211117","2020-10-21","18:00:00",""
"1549979","16.805","0.0016","8.3008","0.0008","15.7976","0.0013","90","","100.259","0.009","90","","2168.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","diglycinium squarate","Bis(carboxymethanaminium) 3,4-dioxocyclobut-1-ene-1,2-diolate","","- C8 H12 N2 O8 -","- C8 H12 N2 O8 -","- C64 H96 N16 O64 -","8","1","WM5461","Seidel, Rüdiger W.","Revision of the crystal structure of `bis(glycine) squaric acid'","IUCrData","2018","3","9","x181324","","10.1107/S241431461801324X","","","0.71073","MoKα","","0.0479","0.0426","","","0.109","0.1131","","","","","","1.041","","","","has coordinates,has Fobs","211118","2020-10-21","18:00:00",""
"1549980","13.0062","0.0009","5.9631","0.0004","18.3801","0.0014","90","","104.019","0.007","90","","1383.05","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","","- C18 H14 O2 S -","- C18 H14 O2 S -","- C72 H56 O8 S4 -","4","1","HB4248","Hemanathan, K.; Raja, R.; Murugesan, K. Sakthi","8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene","IUCrData","2018","3","9","x181257","","10.1107/S2414314618012579","","","0.71073","MoKα","","0.0683","0.0469","","","0.1085","0.1192","","","","","","1.067","","","","has coordinates,has Fobs","211119","2020-10-21","18:00:00",""
"1549981","8.0233","0.0015","16.877","0.003","17.013","0.003","90","","101.021","0.002","90","","2261.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","1","BT4071","Liu, Gang; Liu, Qingsong; Zhang, Huihui; Yu, Jianhua","2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181329","","10.1107/S2414314618013299","","","0.71073","MoKα","","0.062","0.0405","","","0.1062","0.1156","","","","","","1.071","","","","has coordinates,has Fobs","211120","2020-10-21","18:00:00",""
"1549982","9.069","0.005","13.319","0.007","11.851","0.007","90","","112.161","0.007","90","","1325.7","1.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","","- C13 H16 N4 O2 -","- C13 H16 N4 O2 -","- C52 H64 N16 O8 -","4","1","PK4019","Lahmidi, Sanae; El Hafi, Mohamed; Moussaif, Ahmed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate","IUCrData","2018","3","9","x181280","","10.1107/S2414314618012804","","","0.71073","MoKα","","0.047","0.0386","","","0.1109","0.1152","","","","","","1.134","","","","has coordinates,has Fobs","211121","2020-10-21","18:00:00",""
"1549983","8.462","0.0014","16.243","0.003","11.477","0.002","90","","93.091","0.002","90","","1575.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","HB4255","Wang, Junjun; Zhu, Yin; Wang, Haiyan; Yang, Mingdi","3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one","IUCrData","2018","3","9","x181327","","10.1107/S2414314618013275","","","0.71073","MoKα","","0.0507","0.0433","","","0.1168","0.1232","","","","","","1.029","","","","has coordinates,has Fobs","211122","2020-10-21","18:00:00",""
"1549984","10.1174","0.0006","10.6043","0.0006","14.0472","0.0008","83.956","0.001","72.182","0.001","87.318","0.001","1426.66","0.14","100","2","100","","","","","","","","","4","P -1","-P 1","2","","ethyl 4-(2-(5-(tert-butyl)-3-formyl-2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoate","","- C35 H32 N2 O4 -","- C35 H32 N2 O4 -","- C70 H64 N4 O8 -","2","1","","Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O.","Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1450","1461","10.1039/c8pp00226f","","x-ray","0.71073","MoKα","","0.0779","0.0506","","","0.1299","0.1464","","","","","","1.052","","","","has coordinates,has disorder","230886","2020-10-21","18:00:00",""
"1549985","9.5779","0.0003","29.6464","0.0009","10.7257","0.0003","90","","92.205","0.002","90","","3043.31","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(2-(5-(tert-butyl)-3-formyl-2-hydroxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl)benzoic acid","","- C35 H34 N2 O5 S -","- C35 H34 N2 O5 S -","- C140 H136 N8 O20 S4 -","4","1","","Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O.","Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2018","17","10","1450","1461","10.1039/c8pp00226f","","x-ray","1.54178","CuKα","","0.0781","0.0697","","","0.1626","0.1669","","","","","","1.15","","","","has coordinates","230886","2020-10-21","18:00:00",""
"1549986","9.447","0.003","10.129","0.003","6.1571","0.0018","90","","123.42","0.03","90","","491.7","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C Cs3 O8 V -","- C Cs3 O8 V -","- C2 Cs6 O16 V2 -","2","0.5","","Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min","Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response.","Chemical science","2018","9","48","8957","8961","10.1039/c8sc03672a","","","0.71073","MoKα","","0.028","0.0258","","","0.0732","0.0972","","","","","","1.258","","","","has coordinates","228765","2020-10-21","18:00:00",""
"1549987","7.841","0.004","8.203","0.004","11.08","0.006","79.131","0.007","85.616","0.006","74.077","0.006","672.8","0.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2-(Pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","BX4012","Goyal, Navneet; Donahue, James P.; Do, Camilla; Perry, Timothy; Bongay-Williams, Kyla; Foroozesh, Maryam","A dibenzofuran derivative: 2-(pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan","IUCrData","2018","3","9","x181306","","10.1107/S2414314618013068","","","0.71073","MoKα","","0.0763","0.0524","","","0.1278","0.152","","","","","","1.113","","","","has coordinates,has Fobs","211236","2020-10-21","18:00:00",""
"1549988","10.1759","0.0015","23.521","0.004","7.4038","0.0011","90","","95.674","0.002","90","","1763.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","","- C21 H15 N3 O3 -","- C21 H15 N3 O3 -","- C84 H60 N12 O12 -","4","1","BT4072","Rao, Qingpeng; Wang, Zepeng; Yang, Mingdi; Wu, Zhichao","(<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile","IUCrData","2018","3","9","x181328","","10.1107/S2414314618013287","","","0.71073","MoKα","","0.054","0.0426","","","0.1067","0.1132","","","","","","1.014","","","","has coordinates,has Fobs","211237","2020-10-21","18:00:00",""
"1549989","10.1251","0.0005","11.1335","0.0006","15.9006","0.0008","102.745","0.003","101.1","0.003","101.52","0.003","1659.74","0.15","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C66 H66 N18 O24 -","6","3","HB4256","Marten, Jan; Seichter, Wilhelm; Weber, Edwin","3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione","IUCrData","2018","3","9","x181344","","10.1107/S2414314618013445","","","0.71073","MoKα","","0.0633","0.0408","","","0.1098","0.1265","","","","","","1.003","","","","has coordinates,has Fobs","211238","2020-10-21","18:00:00",""
"1549990","7.6514","0.0005","10.8663","0.0007","7.5886","0.0006","90","","90","","90","","630.93","0.08","","","1473","","","","","","","","","3","P n m a","-P 2ac 2n","62","Sm3TaO7 at 1473 K","","","- O7 Sm3 Ta -","- O7 Sm3 Ta -","- O28 Sm12 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211264","2020-10-21","18:00:00",""
"1549991","10.7818","0.0004","7.6197","0.0003","7.6556","0.0003","90","","90","","90","","628.94","0.04","","","1073","","","","","","","","","3","C 2 2 21","C 2c 2","20","Sm3TaO7 at 1073 K","","","- O7 Sm3 Ta -","- O7 Sm3 Ta -","- O28 Sm12 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1073 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211265","2020-10-21","18:00:00",""
"1549992","10.7488","0.0003","7.6036","0.0002","7.6521","0.0002","90","","90","","90","","625.4","0.03","","","973","","","","","","","","","4","C 2 2 21","C 2c 2","20","(Sm0.8Eu0.2)3NbO7 at 973 K","","","- Eu0.6 Nb O7 Sm2.4 -","- Eu0.6 O7 Sm2.4 Ta -","- Eu2.4 O28 Sm9.6 Ta4 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 973 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211266","2020-10-21","18:00:00",""
"1549993","7.6451","0.0002","10.8612","0.0004","7.5613","0.0003","90","","90","","90","","627.85","0.04","","","1473","","","","","","","","","4","P n m a","-P 2ac 2n","62","(Sm0.8Eu0.2)NbO7 at 1473 K","","","- Eu0.6 Nb O7 Sm2.4 -","- Eu0.6 Nb O7 Sm2.4 -","- Eu2.4 Nb4 O28 Sm9.6 -","4","0.5","","Hinatsu, Y.; Doi, Y.","Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K","Journal of the Ceramic Society of Japan","2018","126","","743","749","","","","","","","","","","","","","","","","","","","","","","has coordinates","211267","2020-10-21","18:00:00",""
"1549994","5.443765","0.000009","7.693164","0.000009","5.452008","0.000007","90","","90","","90","","228.329","0.0005","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","Pr2/3Ba1/3CoO2.98","","","- Ba0.333 Co O2.98 Pr0.667 -","- Ba0.3333 Co O2.979 Pr0.6667 -","- Ba1.3332 Co4 O11.916 Pr2.6668 -","4","0.5","","Zhang, W.; Shiraiwa, M.; Wang, N.; Ma, T.; Fujii, K.; Niwa, E.; Yashima, M.","Pr/Ba cation-disordered perovskite Pr2/3Ba1/3CoO3-d as a new bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions","Journal of the Ceramic Society of Japan","2018","126","","814","819","","","","","","","","","","","","","","","","","","","","","","has coordinates","211271","2020-10-21","18:00:00",""
"1549995","11.9262","0.0005","37.245","0.002","9.5161","0.0005","90","","102.531","0.004","90","","4126.3","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1468","0.08","","","0.2008","0.248","","","","","","1.053","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1549996","11.7855","0.0007","9.0557","0.0006","38.491","0.003","90","","97.711","0.007","90","","4070.8","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.1804","0.09","","","0.2275","0.2878","","","","","","1.115","","","","has coordinates,has disorder","228769","2020-10-21","18:00:00",""
"1549997","11.8126","0.001","9.1189","0.0007","38.869","0.004","90","","98.321","0.009","90","","4142.8","0.6","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 O -","- C58 H46 O -","- C232 H184 O4 -","4","1","","Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane","Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning.","Chemical science","2018","9","48","8990","9001","10.1039/c8sc03740j","","","1.54178","CuKα","","0.2466","0.1051","","","0.2321","0.3446","","","","","","1.012","","","","has coordinates","228769","2020-10-21","18:00:00",""
"1549998","15.8641","0.0014","15.937","0.0016","17.1695","0.0017","90","","92.645","0.002","90","","4336.3","0.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H104 Mn Mo12 N16 O74 P8 -","- C16 H104 Mn Mo12 N16 O74 P8 -","- C32 H208 Mn2 Mo24 N32 O148 P16 -","2","0.5","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.0625","0.0418","","","0.0985","0.1144","","","","","","1.186","","","","has coordinates,has disorder","211284","2020-10-21","18:00:00",""
"1549999","27.4698","0.0012","27.4698","0.0012","39.881","0.003","90","","90","","90","","30094","3","300","2","300.27","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- K16 Mn40 Mo96 Na8 O560 P68 -","- K16 Mn40 Mo96 Na8 O560 P68 -","- K32 Mn80 Mo192 Na16 O1120 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.0747","0.0479","","","0.1149","0.136","","","","","","1.089","","","","has coordinates","211284","2020-10-21","18:00:00",""
"1550000","26.9679","0.0005","26.9679","0.0005","41.154","0.0018","90","","90","","90","","29930","1.5","293","2","293","","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co10 Mn30 Mo96 Na24 O576 P68 -","- Co20 Mn60 Mo192 Na48 O1152 P136 -","2","","","Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian","Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water","Chemical Science","2018","","","","","10.1039/C8SC03471K","","","0.71073","MoKα","","0.04","0.0316","","","0.0736","0.0768","","","","","","1.041","","","","has coordinates","211284","2020-10-21","18:00:00",""
"1550001","13.5287","0.0003","14.9354","0.0003","15.4422","0.0003","87.648","0.001","65.253","0.001","71.914","0.001","2679.32","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C57 Al F45 O3 -","- C57 Al F45 O3 -","- C114 Al2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0756","0.0437","","","0.0824","0.0924","","","","","","1.016","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550002","12.8874","0.0003","13.362","0.0004","19.1533","0.0005","81.244","0.001","86.346","0.001","65.335","0.001","2962.37","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H8 Al F46 O4 Tl -","- C61 H8 Al F46 O4 Tl -","- C122 H16 Al2 F92 O8 Tl2 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.059","0.0449","","","0.1056","0.1121","","","","","","1.035","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550003","11.872","0.0002","13.5786","0.0003","22.6501","0.0004","83.441","0.001","84.275","0.001","85.147","0.001","3599.41","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H17 Al Cl2 F46 O3 -","- C77 H17 Al Cl2 F46 O3 -","- C154 H34 Al2 Cl4 F92 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0584","0.0439","","","0.0864","0.0916","","","","","","1.096","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550004","11.6429","0.0004","11.6834","0.0004","12.0655","0.0004","97.981","0.002","101.382","0.002","98.8","0.002","1565.64","0.09","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","- C67 H10 Al F46 Fe O3 -","1","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0918","0.0539","","","0.1199","0.1377","","","","","","1.023","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550005","12.9745","0.0006","14.9114","0.0007","32.7214","0.0015","84.388","0.002","88.756","0.002","88.372","0.002","6296.5","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H16 Al F45 O4 -","- C68 H16 Al F45 O4 -","- C272 H64 Al4 F180 O16 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.1322","0.07","","","0.1542","0.1762","","","","","","1.046","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550006","12.473","0.0005","12.4862","0.0005","24.3363","0.0009","92.264","0.001","102.069","0.001","109.518","0.001","3468.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H18 Al F45 O4 -","- C68 H18 Al F45 O4 -","- C136 H36 Al2 F90 O8 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0398","0.031","","","0.0761","0.0842","","","","","","1.043","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550007","13.5375","0.0003","24.2062","0.0005","20.9262","0.0004","90","","104.02","0.001","90","","6653.1","0.2","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H20 Al F46 Li O5 -","- C65 H20 Al F46 Li O5 -","- C260 H80 Al4 F184 Li4 O20 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0917","0.0855","","","0.1828","0.1864","","","","","","1.24","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550008","13.4499","0.0005","13.5054","0.0005","44.2327","0.0016","98.198","0.001","92.575","0.001","90.287","0.001","7944","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H32 Al Cs F46 O7 -","- C73 H32 Al Cs F46 O7 -","- C292 H128 Al4 Cs4 F184 O28 -","4","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0756","0.055","","","0.1068","0.114","","","","","","1.08","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550009","13.2289","0.0003","14.1466","0.0003","17.4224","0.0004","86.299","0.001","85.794","0.001","67.503","0.001","3001.9","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H11 Al F45 N O3 -","- C66 H11 Al F45 N O3 -","- C132 H22 Al2 F90 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0482","0.0345","","","0.0803","0.0864","","","","","","1.037","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550010","24.8884","0.0012","23.4948","0.0012","22.4273","0.001","90","","105.82","0.002","90","","12617.6","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H15 Al F45 O4 P -","- C63 H15 Al F45 O4 P -","- C504 H120 Al8 F360 O32 P8 -","8","2","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.1133","0.0975","","","0.2325","0.2412","","","","","","1.128","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550011","13.8546","0.0004","14.2421","0.0004","20.1247","0.0006","94.513","0.001","96.029","0.001","119.026","0.001","3414.42","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H15 Al Cl F45 O3 -","- C76 H15 Al Cl F45 O3 -","- C152 H30 Al2 Cl2 F90 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0638","0.0388","","","0.0758","0.0836","","","","","","1.014","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550012","13.3297","0.0005","14.3059","0.0004","22.5568","0.0008","71.867","0.001","75.445","0.001","63.622","0.001","3629.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H36 Al F46 N O3 -","- C73 H36 Al F46 N O3 -","- C146 H72 Al2 F92 N2 O6 -","2","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0559","0.0389","","","0.0839","0.0906","","","","","","1.054","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550013","11.7732","0.0003","24.2075","0.0007","21.9598","0.0006","90","","90.568","0.001","90","","6258.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H13 Ag Al F46 N O4 -","- C63 H13 Ag Al F46 N O4 -","- C252 H52 Ag4 Al4 F184 N4 O16 -","4","1","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","","0.71073","MoKα","","0.0357","0.0297","","","0.0682","0.0709","","","","","","1.101","","","","has coordinates,has disorder","228686","2020-10-21","18:00:00",""
"1550014","22.4236","0.001","24.0454","0.0011","29.527","0.0014","91.684","0.002","111.56","0.002","98.389","0.002","14588.4","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H5 Al F45 N O3 -","- C62 H5 Al F45 N O3 -","- C620 H50 Al10 F450 N10 O30 -","10","5","","Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens","Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid.","Chemical science","2018","9","43","8178","8183","10.1039/c8sc02981d","","x-ray","0.71073","MoKα","","0.0983","0.0614","","","0.1222","0.1449","","","","","","1.099","","","","has coordinates","228686","2020-10-21","18:00:00",""
"1550016","8.7802","","4.9087","","10.9191","","90","","90.33","","90","","470.599","","","","0","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","AlPO4 moganite alpha phase","","AlPO4 moganite alpha phase","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1.5","","Kanzaki, M.","Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : alpha phase model optimized by DFT","Journal of Mineralogical and Petrological Sciences","2018","113","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","273024","2022-02-18","04:20:37",""
"1550017","9.0682","","4.8904","","10.9793","","90","","90","","90","","486.9","","","","1","","","","","","","","","3","P m a a","-P 2a 2","49","AlPO4 moganite beta phase","","AlPO4 moganite beta phase","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","0.75","","Kanzaki, M.","Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : beta phase model optimized by DFT","Journal of Mineralogical and Petrological Sciences","2018","113","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","273025","2022-02-18","04:22:10",""
"1550018","9.2681","0.0005","10.4733","0.0005","10.8722","0.0005","82.9875","0.0015","85.2833","0.0017","74.7986","0.0016","1009.4","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","XC7","","","- C23 H24 Cl F Ir N -","- C23 H24 Cl F Ir N -","- C46 H48 Cl2 F2 Ir2 N2 -","2","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Ir(iii)-catalyzed <i>ortho</i> C-H alkylations of (hetero)aromatic aldehydes using alkyl boron reagents.","Chemical science","2018","9","48","8951","8956","10.1039/c8sc03606c","","","0.71073","MoKα","","0.0251","0.0217","","","0.0474","0.0483","","","","","","1.089","","","","has coordinates","228770","2020-10-21","18:00:00",""
"1550019","11.0583","0.0001","10.7138","0.0001","21.6433","0.0003","90","","91.862","0.001","90","","2562.87","0.05","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","A4","","","- C38 H23 N3 O26 S8 -","- C38 H22 N3 O26 S8 -","- C76 H44 N6 O52 S16 -","2","1","","Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien","Wetting the lock and key enthalpically favours polyelectrolytes binding","Chemical Science","2018","","","","","10.1039/C8SC02966K","","","1.54184","CuKα","","0.0655","0.0633","","","0.1758","0.1818","","","","","","0.987","","","","has coordinates,has disorder","211351","2020-10-21","18:00:00",""
"1550020","13.4762","0.0003","15.1134","0.0003","10.0992","0.0002","90","","107.105","0.002","90","","1965.93","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1M","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo","Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime","Chemical Science","2018","","","","","10.1039/C8SC03019G","","x-ray","1.54184","CuKα","","0.0424","0.0386","","","0.0994","0.1034","","","","","","1.041","","","","has coordinates","211352","2020-10-21","18:00:00",""
"1550021","21.0963","0.0007","12.9096","0.0003","15.8774","0.0004","90","","101.148","0.003","90","","4242.5","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3M","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C216 H184 N8 O16 S8 -","8","1","","Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo","Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime","Chemical Science","2018","","","","","10.1039/C8SC03019G","","x-ray","1.54184","CuKα","","0.0417","0.0382","","","0.1033","0.1074","","","","","","1.051","","","","has coordinates","211352","2020-10-21","18:00:00",""
"1550022","5.2532","0.0004","5.321","0.0003","10.9671","0.0007","90","","101.974","0.0017","90","","299.89","0.03","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C12 H12 N4 O4 -","2","0.5","","Sieuw, Louis; Jouhara, Alia; Quarez, Eric; Auger, Chloe; Gohy, Jean-François; Poizot, Philippe; Vlad, Alexandru","H-bond Stabilized Quinone Electrode Material for Li-Organic Batteries: the Strength of Weak Bonds","Chemical Science","2018","","","","","10.1039/C8SC02995D","powder diffraction","x-ray","0.7458","synchrotron","","0.0665","0.0664","","0.1059","0.1059","","","","20.77","","","","","","","has coordinates","211368","2020-10-21","18:00:00",""
"1550023","15.8369","0.0012","16.9326","0.0013","21.2999","0.0016","90","","97.044","0.003","90","","5668.7","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H78 Cl2 F6 Ir N8 P -","- C55 H78 Cl2 F6 Ir N8 P -","- C220 H312 Cl8 F24 Ir4 N32 P4 -","4","1","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54184","CUKα","","0.0529","0.0454","","","0.1155","0.1256","","","","","","1.068","","","","has coordinates,has disorder","211369","2020-10-21","18:00:00",""
"1550024","24.7628","0.0007","23.6873","0.0007","39.6486","0.0013","90","","95.9405","0.0017","90","","23131.5","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.25 H24 F20.75 Ir N8 O0.75 S0.25 -","- C54.25 H24 F20.75 Ir N8 O0.75 S0.25 -","- C868 H384 F332 Ir16 N128 O12 S4 -","16","4","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","x-ray","1.54178","CuKα","","0.1624","0.1073","","","0.2648","0.2863","","","","","","1.064","","","","has coordinates","211369","2020-10-21","18:00:00",""
"1550025","17.9784","0.0006","15.124","0.0006","19.0318","0.0006","90","","108.004","0.002","90","","4921.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 F6 Ir N8 P -","- C54 H64 F6 Ir N8 P -","- C216 H256 F24 Ir4 N32 P4 -","4","0.5","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54178","CuKα","","0.0298","0.0287","","","0.0686","0.0701","","","","","","1.111","","","","has coordinates,has disorder","211369","2020-10-21","18:00:00",""
"1550026","12.7322","0.0006","16.8417","0.001","26.2843","0.0012","77.893","0.003","84.194","0.002","78.728","0.003","5393.9","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58.12 H52.25 Cl0.25 F6 Ir N8 P -","- C58.125 H52.25 Cl0.25 F6 Ir N8 P -","- C232.5 H209 Cl F24 Ir4 N32 P4 -","4","2","","Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming","Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions","Chemical Science","2018","","","","","10.1039/C8SC02920B","","","1.54178","CuKα","","0.0863","0.0559","","","0.1395","0.1526","","","","","","1.082","","","","has coordinates","211369","2020-10-21","18:00:00",""
"1550027","9.9957","0.0006","14.5325","0.0009","15.8353","0.001","81.671","0.005","81.344","0.005","80.469","0.005","2225.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","","- C21.5 H20.5 Br N6.5 O0.5 S -","- C21.5 H20.5 Br N6.5 O0.5 S -","- C86 H82 Br4 N26 O2 S4 -","4","2","SJ4192","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate","IUCrData","2018","3","10","x181378","","10.1107/S2414314618013780","","","0.71073","MoKα","","0.1383","0.0558","","","0.1121","0.1447","","","","","","1.009","","","","has coordinates,has Fobs","214153","2020-10-21","18:00:00",""
"1550028","9.0292","0.0007","9.864","0.001","10.8754","0.0009","111.021","0.009","105.103","0.008","96.945","0.007","847.86","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C17 H17 N5 O S -","- C17 H17 N5 O S -","- C34 H34 N10 O2 S2 -","2","1","SJ4191","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","5-Methyl-1-(4-methylphenyl)-N′-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide","IUCrData","2018","3","10","","","10.1107/S2414314618013792","","","0.71073","MoKα","","0.1076","0.063","","","0.1441","0.1736","","","","","","1.038","","","","has coordinates,has Fobs","211397","2020-10-21","18:00:00",""
"1550029","23.0581","0.0013","16.6608","0.0012","15.1185","0.001","90","","90","","90","","5808","0.7","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C224 H352 N32 O16 -","16","4","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.2145","0.168","","","0.415","0.4677","","","","","","1.631","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550030","12.9354","0.0002","11.92","0.0002","27.3126","0.0004","90","","93.311","0.001","90","","4204.3","0.11","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O -","- C14 H22 N2 O -","- C168 H264 N24 O12 -","12","3","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.0524","0.0427","","","0.1074","0.1152","","","","","","1.027","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550031","8.8209","0.0001","19.6496","0.0002","20.2318","0.0001","90","","90","","90","","3506.72","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O -","- C17 H28 N2 O -","- C136 H224 N16 O8 -","8","2","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.0576","0.0543","","","0.1549","0.1601","","","","","","1.033","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550033","20.808","0.003","31.071","0.002","12.2164","0.0011","90","","90.694","0.011","90","","7897.6","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 B Cl2 Cu F4 N8 -","- C37 H46 B Cl2 Cu F4 N8 -","- C296 H368 B8 Cl16 Cu8 F32 N64 -","8","2","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.2276","0.2039","","","0.4806","0.5109","","","","","","1.855","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550034","12.3905","0.0003","19.0233","0.0005","14.481","0.0003","90","","102.996","0.002","90","","3325.86","0.14","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C33.5 H41 Cl Cu F3 N4 O3 S -","- C134 H164 Cl4 Cu4 F12 N16 O12 S4 -","4","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","1.54184","CuKα","","0.0549","0.0397","","","0.0984","0.1092","","","","","","1.039","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550035","9.1002","0.0005","10.9858","0.0006","19.3481","0.0007","89.693","0.004","79.192","0.004","82.793","0.004","1884.64","0.16","233","2","233","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H44 Cu F3 N4 O3 S -","- C37 H44 Cu F3 N4 O3 S -","- C74 H88 Cu2 F6 N8 O6 S2 -","2","1","","Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia","Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies","Catalysis Science & Technology","2018","8","22","5763","","10.1039/C8CY00515J","","","0.71073","MoKα","","0.0703","0.0504","","","0.1138","0.1271","","","","","","1.021","","","","has coordinates,has disorder","227957","2020-10-21","18:00:00",""
"1550038","8.9101","0.0003","9.4553","0.0003","14.4099","0.0004","90","","90","","90","","1214","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","1","","Guan, Yu-Qing; Han, Zhengyu; Li, Xiuxiu; You, Cai; Tan, Xuefeng; Lv, Hui; Zhang, Xumu","A cheap metal for a challenging task: nickel-catalyzed highly diastereo- and enantioselective hydrogenation of tetrasubstituted fluorinated enamides","Chemical Science","2018","","","","","10.1039/C8SC04002H","","","1.54178","CuKα","","0.0337","0.0336","","","0.0873","0.0874","","","","","","1.089","","","","has coordinates","211476","2020-10-21","18:00:00",""
"1550040","17.6822","0.0015","17.7483","0.0017","25.194","0.003","78.121","0.007","77.607","0.01","60.899","0.008","6699.7","1.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H148 Br8 Cl4 N12 Zn2 -","- C114 H128 Br4 Cl4 N12 Zn2 -","- C228 H256 Br8 Cl8 N24 Zn4 -","2","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.1554","0.0739","","","0.1788","0.2083","","","","","","0.856","","","","has coordinates","228271","2020-10-21","18:00:00",""
"1550041","16.0787","0.0016","21.553","0.003","24.176","0.003","90","","94.498","0.009","90","","8352.2","1.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H42 Cl10 N4 -","- C33 H42 Cl10 N4 -","- C264 H336 Cl80 N32 -","8","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.0886","0.0677","","","0.1865","0.1988","","","","","","1.086","","","","has coordinates,has disorder","228271","2020-10-21","18:00:00",""
"1550042","21.712","0.002","13.037","0.002","54.215","0.014","90","","90","","90","","15346","5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H80 Cl12 N8 Zn2 -","- C62 H76 Cl8 N8 Zn2 -","- C496 H608 Cl64 N64 Zn16 -","8","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.1887","0.0848","","","0.2178","0.2526","","","","","","0.981","","","","has coordinates","228271","2020-10-21","18:00:00",""
"1550043","12.838","0.006","15.476","0.015","27.491","0.009","98.93","0.04","92.92","0.03","110.32","0.05","5027","6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H102 Cl28 N8 -","- C74 H102 Cl28 N8 -","- C148 H204 Cl56 N16 -","2","1","","Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G.","Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters.","Chemical communications (Cambridge, England)","2018","54","89","12586","12589","10.1039/c8cc07661h","","x-ray","0.71073","MoKα","","0.198","0.094","","","0.2284","0.2905","","","","","","0.919","","","","has coordinates,has disorder","228271","2020-10-21","18:00:00",""
"1550044","8.5611","0.0002","10.9802","0.0002","13.2254","0.0002","109.051","0.001","102.4","0.001","90.413","0.001","1143.69","0.04","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 I Ir N4 -","- C22 H26 I Ir N4 -","- C44 H52 I2 Ir2 N8 -","2","1","","Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta","Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple","Catalysis Science & Technology","2018","8","23","6137","","10.1039/C8CY02069H","","x-ray","0.71073","MoKα","","0.025","0.0237","","","0.0558","0.0563","","","","","","1.037","","","","has coordinates","227974","2020-10-21","18:00:00",""
"1550047","15.2173","0.0004","22.8792","0.0006","16.8807","0.0005","90","","90.605","0.001","90","","5876.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B Dy F20 -","- C64 H70 B Dy F20 -","- C256 H280 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0732","0.065","","","0.17","0.1759","","","","","","1.06","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550048","14.9801","0.0004","23.0586","0.0007","16.7069","0.0005","90","","90.789","0.002","90","","5770.4","0.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B Dy F20 -","- C62 H66 B Dy F20 -","- C248 H264 B4 Dy4 F80 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0854","0.0682","","","0.1588","0.171","","","","","","1.054","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550049","16.5863","0.0017","14.4989","0.0015","22.708","0.002","90","","90.0586","0.0016","90","","5460.9","0.9","100","2","99.66","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B Dy F20 -","- C58 H58 B Dy F20 -","- C232 H232 B4 Dy4 F80 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0756","0.0721","","","0.181","0.1851","","","","","","1.069","","","","has coordinates","228845","2020-10-21","18:00:00",""
"1550050","14.5","0.02","16.63","0.03","46.59","0.08","90","","90.027","0.012","90","","11234","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B Dy F20 -","- C60 H62 B Dy F20 -","- C480 H496 B8 Dy8 F160 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.7288","synchrotron","","0.0761","0.057","","","0.1354","0.1497","","","","","","1.035","","","","has coordinates,has disorder","228845","2020-10-21","18:00:00",""
"1550055","17.3189","0.0003","12.4391","0.0003","17.5819","0.0003","90","","104.339","0.002","90","","3669.7","0.13","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 N4 O2 Zn -","- C36 H58 N4 O2 Zn -","- C144 H232 N16 O8 Zn4 -","4","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0384","0.0349","","","0.0896","0.0922","","","","","","1.021","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550056","24.0631","0.0001","24.0631","0.0001","7.4652","0.0001","90","","90","","90","","4322.6","0.06","150","2","150.01","0.1","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H30 N4 O2 Zn -","- C22 H30 N4 O2 Zn -","- C176 H240 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0215","0.021","","","0.0547","0.0551","","","","","","1.072","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550057","39.731","0.004","11.9213","0.0009","23.8229","0.0019","90","","99.266","0.008","90","","11136.4","1.7","150","2","150","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25.5 H30 Cl4 Mg N4 O2 -","- C25.5 H30 Cl4 Mg N4 O2 -","- C408 H480 Cl64 Mg16 N64 O32 -","16","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.159","0.061","","","0.0854","0.1139","","","","","","0.991","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550058","12.093","0.001","14.8544","0.0012","13.2064","0.0015","90","","105.887","0.011","90","","2281.7","0.4","150","2","150.01","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.5 H30 N4 O2 Zn -","- C23.5 H30 N4 O2 Zn -","- C94 H120 N16 O8 Zn4 -","4","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.0824","0.0538","","","0.0725","0.08","","","","","","1.025","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550059","17.113","0.0002","15.0517","0.0002","29.9562","0.0004","90","","90.872","0.001","90","","7715.22","0.17","150","2","150","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 Mg N4 O2 -","- C38 H62 Mg N4 O2 -","- C304 H496 Mg8 N32 O16 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0557","0.0505","","","0.1415","0.1444","","","","","","1.156","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550060","19.8993","0.0003","14.4435","0.0002","25.6572","0.0004","90","","92.143","0.001","90","","7369.12","0.19","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Mg N4 O2 -","- C36 H58 Mg N4 O2 -","- C288 H464 Mg8 N32 O16 -","8","2","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0773","0.0572","","","0.145","0.1585","","","","","","1.024","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550061","13.4614","0.0007","11.975","0.0007","31.039","0.0013","90","","90.965","0.004","90","","5002.8","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 N4 O2 Zn -","- C54 H84 N4 O2 Zn -","- C216 H336 N16 O8 Zn4 -","4","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","0.71073","MoKα","","0.0822","0.0501","","","0.1137","0.1271","","","","","","1.027","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550062","11.3788","0.0003","11.6856","0.0002","21.1747","0.0005","105.712","0.002","94.301","0.002","104.647","0.002","2590.97","0.11","150","2","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C47 H52 Cl8 N8 O4 Zn2 -","- C47 H52 Cl8 N8 O4 Zn2 -","- C94 H104 Cl16 N16 O8 Zn4 -","2","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0399","0.036","","","0.0876","0.0901","","","","","","1.047","","","","has coordinates,has disorder","230953","2020-10-21","18:00:00",""
"1550063","17.0865","0.0003","15.0333","0.0002","30.0246","0.0004","90","","91.193","0.001","90","","7710.6","0.2","150","2","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H62 N4 O2 Zn -","- C38 H62 N4 O2 Zn -","- C304 H496 N32 O16 Zn8 -","8","1","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0377","0.0335","","","0.0893","0.0924","","","","","","1.036","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550064","9.4092","0.0005","13.8925","0.0012","14.8093","0.001","90","","95.647","0.005","90","","1926.4","0.2","150","2","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Mg2 N8 O4 -","- C40 H52 Mg2 N8 O4 -","- C80 H104 Mg4 N16 O8 -","2","0.5","","McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D.","Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide","Polymer Chemistry","2018","9","44","5339","","10.1039/C8PY01369A","","x-ray","1.54184","CuKα","","0.0564","0.0394","","","0.0932","0.1003","","","","","","1.02","","","","has coordinates","230953","2020-10-21","18:00:00",""
"1550065","10.4966","0.0005","12.3975","0.0008","13.2265","0.001","104.289","0.006","99.208","0.005","101.826","0.005","1591.78","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","- C72 H92 N6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1048","0.0734","","","0.182","0.2053","","","","","","1.024","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550066","10.3106","0.0002","14.6582","0.0003","27.9536","0.0004","75.075","0.002","86.248","0.002","70.983","0.002","3858.64","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","- C156 H212 Co2 Gd2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0738","0.0645","","","0.1512","0.1555","","","","","","1.153","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550067","10.741","0.0011","11.0043","0.0011","15.1711","0.0014","69.405","0.009","70.878","0.009","76.429","0.009","1571.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","- C70 H94 N4 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.1126","0.0738","","","0.194","0.2183","","","","","","1.034","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550068","16.25392","0.00013","38.80173","0.00018","16.36512","0.00011","90","","119.106","0.001","90","","9017.85","0.14","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C87 H127 Co Gd N4 O9 P3 Si2 -","- C87.0084 H127.021 Co Gd N4 O9.0063 P3.0021 Si2 -","- C348.034 H508.084 Co4 Gd4 N16 O36.0252 P12.0084 Si8 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0191","0.0191","","","0.0477","0.0477","","","","","","1.086","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550069","18.266","0.0003","14.9061","0.0002","33.9132","0.0005","90","","104.455","0.001","90","","8941.4","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C87 H127 Co N4 O9 P3 Si2 Y -","- C87 H127 Co N4 O9 P3 Si2 Y -","- C348 H508 Co4 N16 O36 P12 Si8 Y4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","1.54184","CuKα","K-L~3~","0.0438","0.0401","","","0.105","0.1075","","","","","","1.061","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550070","8.05199","0.00012","13.9466","0.0002","31.93","0.0005","90","","90.63","0.0013","90","","3585.45","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H108 N4 O4 Si2 Zn -","- C74 H108 N4 O4 Si2 Zn -","- C148 H216 N8 O8 Si4 Zn2 -","2","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.0629","0.0575","","","0.1669","0.171","","","","","","1.092","","","","has coordinates","228842","2020-10-21","18:00:00",""
"1550071","19.34446","0.00016","39.8242","0.0004","20.5371","0.0002","90","","90.4603","0.0009","90","","15820.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H107 Co Dy N4 O9 P3 Si -","- C78 H107 Co Dy N4 O9 P3 Si -","- C624 H856 Co8 Dy8 N32 O72 P24 Si8 -","8","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","","0.083","0.0588","","","0.1289","0.1387","","","","","","1.082","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550072","13.171","0.0004","14.3764","0.0004","19.9456","0.0006","90.736","0.002","91.97","0.002","108.933","0.003","3569.14","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C77.5 H96 Cl N7 Si2 Zn -","- C77.5 H96 Cl N7 Si2 Zn -","- C155 H192 Cl2 N14 Si4 Zn2 -","2","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1224","0.0814","","","0.1989","0.2218","","","","","","1.035","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550073","10.3082","0.0001","14.6723","0.0002","27.9524","0.0005","75.061","0.001","86.208","0.001","71.139","0.001","3864.76","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","- C156 H212 Co2 N8 O18 P6 Si2 Tb2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0659","0.0625","","","0.1302","0.1316","","","","","","1.278","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550074","10.2534","0.00018","14.6267","0.0003","27.8407","0.0005","75.0624","0.0016","86.2571","0.0015","71.1737","0.0016","3817.71","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","- C156 H212 Co2 Dy2 N8 O18 P6 Si2 -","1","0.5","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71073","MoKα","K-L~3~","0.0575","0.0499","","","0.1096","0.1126","","","","","","1.102","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550075","16.1487","0.0003","19.0993","0.0003","30.5159","0.0005","98.382","0.001","92.063","0.001","97.559","0.001","9215.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C87 H127 Co Dy N4 O9 P3 Si2 -","- C348 H508 Co4 Dy4 N16 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.0626","0.053","","","0.1236","0.1267","","","","","","1.09","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550076","31.5498","0.0004","16.095","0.0001","19.4714","0.0002","90","","107.306","0.001","90","","9439.85","0.17","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb -","- C87 H127 Co N4 O9 P3 Si2 Tb -","- C348 H508 Co4 N16 O36 P12 Si8 Tb4 -","4","1","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.1022","0.0872","","","0.2518","0.2681","","","","","","1.048","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550077","16.1981","0.0003","23.3852","0.0004","25.473","0.0005","73.821","0.002","89.254","0.002","86.965","0.001","9253.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C89 H125 Co Dy N6 O9 P3 Si2 -","- C356 H500 Co4 Dy4 N24 O36 P12 Si8 -","4","2","","Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo","Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule.","Chemical science","2018","9","45","8474","8481","10.1039/c8sc03762k","","x-ray","0.71075","MoKα","K-L~3~","0.102","0.0782","","","0.1694","0.1815","","","","","","1.117","","","","has coordinates,has disorder","228842","2020-10-21","18:00:00",""
"1550078","8.6962","0.0012","8.7349","0.0012","14.559","0.002","106.468","0.002","92.949","0.002","111.771","0.002","969.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C48 H46 N6 O4 -","2","1","HB4267","Jouha, Jabrane; Loubidi, Mohamed; El Hafi, Mohamed; Tber, Zahira; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate","IUCrData","2018","3","10","x181449","","10.1107/S2414314618014499","","","0.71073","MoKα","","0.0553","0.046","","","0.1304","0.1368","","","","","","1.115","","","","has coordinates,has Fobs","211570","2020-10-21","18:00:00",""
"1550079","10.0164","0.0005","22.7494","0.0003","15.0848","0.0008","90","","138.151","0.01","90","","2293.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Samarium(III) DAPSC nitrate tetrahydrate","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","","- C11 H23 N10 O15 Sm -","- C11 H23 N10 O15 Sm -","- C44 H92 N40 O60 Sm4 -","4","1","SJ4193","Gioia, Michael; Crundwell, Guy; Westcott, Barry L.","Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate","IUCrData","2018","3","10","x181454","","10.1107/S2414314618014542","","","0.71073","MoKα","","0.0738","0.0493","","","0.1148","0.1271","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","211571","2020-10-21","18:00:00",""
"1550080","4.9417","0.0002","7.6157","0.0003","23.4472","0.0009","94.49","0.002","92.997","0.002","98.136","0.002","869.06","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C36 H38 N2 O14 -","2","1","HB4265","Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T.","Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate","IUCrData","2018","3","10","x181438","","10.1107/S2414314618014384","","","1.54178","CuKα","","0.0434","0.0374","","","0.0937","0.0994","","","","","","1.033","","","","has coordinates,has Fobs","211572","2020-10-21","18:00:00",""
"1550081","16.3784","0.0011","7.3134","0.0003","7.1566","0.0004","90","","91.205","0.002","90","","857.04","0.08","180","1","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Bis(pyrrolidinium) hexachloridostannate","","- C8 H20 Cl6 N2 Sn -","- C8 H20 Cl6 N2 Sn -","- C16 H40 Cl12 N4 Sn2 -","2","0.25","SU5454","Gotoh, Kazuma; Ishida, Hiroyuki","Bis(pyrrolidinium) hexachloridostannate: a redetermination","IUCrData","2018","3","10","","","10.1107/S2414314618013974","","","0.71075","MoKα","","0.0241","0.0236","","","0.0563","0.0566","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","211573","2020-10-21","18:00:00",""
"1550082","8.5308","0.0011","8.5308","0.0011","31.893","0.004","90","","90","","90","","2321","0.5","200","2","200","2","","","","","","","","5","P 43","P 4cw","78","","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","","- C19 H28 Cl N3 O5 -","- C19 H28 Cl N3 O5 -","- C76 H112 Cl4 N12 O20 -","4","1","SJ4194","Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef","Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate","IUCrData","2018","3","10","x181470","","10.1107/S2414314618014700","","","0.71073","MoKα","","0.0761","0.0646","","","0.1727","0.182","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","211574","2020-10-21","18:00:00",""
"1550083","13.7826","0.0005","9.2243","0.0002","15.0346","0.0005","90","","111.733","0.004","90","","1775.56","0.11","270","2","270","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0672","0.0467","","","0.1117","0.1245","","","","","","1.046","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550084","13.8567","0.0006","9.2431","0.0002","15.1049","0.0006","90","","111.846","0.005","90","","1795.69","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0744","0.0477","","","0.1147","0.1298","","","","","","1.05","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550085","13.9193","0.0008","9.2488","0.0003","15.1658","0.0007","90","","111.938","0.006","90","","1811.02","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0878","0.0493","","","0.1158","0.1374","","","","","","1.021","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550086","13.5882","0.0007","9.2068","0.0005","14.8687","0.0008","90","","111.294","0.0018","90","","1733.14","0.16","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(+/-)1,9-Bis(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C23 H22 O3 -","- C23 H22 O3 -","- C92 H88 O12 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0487","0.0408","","","0.1017","0.107","","","","","","1.044","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550087","9.824","0.0005","6.304","0.0004","25.0331","0.0018","90","","90.602","0.005","90","","1550.23","0.17","370","2","370","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.1028","0.0489","","","0.1088","0.1382","","","","","","1.012","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550088","18.848","0.0007","7.4991","0.0003","12.2152","0.0005","90","","107.691","0.0015","90","","1644.89","0.11","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-anisyl)-1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0554","0.0401","","","0.0995","0.1068","","","","","","1.051","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550089","9.7695","0.0008","6.177","0.0005","24.65","0.002","90","","90.36","0.007","90","","1487.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0977","0.0541","","","0.0941","0.1154","","","","","","1.043","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550090","9.7901","0.0006","6.2016","0.0004","24.0401","0.0014","90","","92.931","0.002","90","","1457.67","0.16","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)9-(4-Fluorophenyl)-1-phenyltricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0863","0.0462","","","0.091","0.1034","","","","","","1.031","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550091","9.8084","0.0003","6.2441","0.0002","24.8702","0.0009","90","","90.457","0.003","90","","1523.12","0.09","270","2","270","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0674","0.0428","","","0.097","0.111","","","","","","1.017","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550092","9.9209","0.0004","9.9803","0.0004","11.1024","0.0004","90","","90","","90","","1099.29","0.07","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0436","0.0345","","","0.079","0.0824","","","","","","1.048","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550093","16.0612","0.0011","7.15","0.0005","14.5266","0.001","90","","98.455","0.003","90","","1650.1","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(+/-)9-(4-Fluorophenyl)-1-(4-anisyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0848","0.0494","","","0.1005","0.1136","","","","","","1.022","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550094","9.8199","0.0003","6.2643","0.0002","24.9393","0.0008","90","","90.51","0.003","90","","1534.08","0.08","320","2","320","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(+/-)1,9-Bis(4-fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-ol","","- C21 H16 F2 O -","- C21 H16 F2 O -","- C84 H64 F8 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0767","0.0461","","","0.101","0.1174","","","","","","1.023","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550099","11.0695","0.0002","17.736","0.0003","13.5179","0.0003","90","","97.3794","0.0019","90","","2631.97","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_Salt","","","- C31 H34 N2 O5 -","- C31 H34 N2 O5 -","- C124 H136 N8 O20 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0665","0.0566","","","0.1488","0.153","","","","","","1.13","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550100","11.235","0.0005","17.6516","0.0006","13.4798","0.0006","90","","96.269","0.004","90","","2657.27","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_Salt","","","- C31 H34 N2 O6 -","- C31 H34 N2 O6 -","- C124 H136 N8 O24 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0859","0.0638","","","0.1599","0.1699","","","","","","1.099","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550101","11.3258","0.0004","17.8349","0.0007","13.4077","0.0007","90","","95.8","0.004","90","","2694.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1036","0.0883","","","0.2498","0.2555","","","","","","1.146","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550102","10.843","0.004","17.862","0.006","13.913","0.006","90","","91.715","0.012","90","","2693.4","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 4-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0732","0.0538","","","0.1283","0.1417","","","","","","1.068","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550103","11.4733","0.0003","17.6286","0.0005","13.653","0.0004","90","","93.29","0.002","90","","2756.88","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2, 6-Dihydroxybenzoic acid_Salt","","","- C31 H34 N2 O7 -","- C31 H33.5 N2 O7 -","- C124 H134 N8 O28 -","4","2","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0791","0.0607","","","0.154","0.1696","","","","","","1.046","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1550104","11.197","0.002","17.627","0.004","13.199","0.003","90","","96.347","0.006","90","","2589.1","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O5.9 -","- C31 H34 N2 O5.9 -","- C124 H136 N8 O23.6 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0443","0.0411","","","0.1168","0.1223","","","","","","1.1","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550105","11.282","0.004","17.856","0.007","13.46","0.005","90","","96.06","0.012","90","","2696.4","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.42 N2 O6.42 -","- C31 H34.42 N2 O6.42 -","- C124 H137.68 N8 O25.68 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0861","0.0688","","","0.2169","0.2274","","","","","","1.616","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550106","11.346","0.002","17.508","0.004","13.4","0.003","90","","98.15","0.03","90","","2635","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.84 N4 O11.72 -","- C62 H67.84 N4 O11.72 -","- C124 H135.68 N8 O23.44 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.126","0.0832","","","0.1481","0.1634","","","","","","1.056","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550107","11.253","0.004","17.66","0.006","13.247","0.004","90","","95.787","0.011","90","","2619.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.51 -","- C31 H34 N2 O6.51 -","- C124 H136 N8 O26.04 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0621","0.0523","","","0.1471","0.1536","","","","","","1.103","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550108","11.176","0.004","17.608","0.005","13.305","0.004","90","","95.426","0.01","90","","2606.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.55 N2 O6.14 -","- C31 H34.55 N2 O6.14 -","- C124 H138.2 N8 O24.56 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0789","0.062","","","0.1334","0.1402","","","","","","1.116","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550109","11.487","0.007","17.514","0.01","13.31","0.009","90","","95.95","0.03","90","","2663","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.47 -","- C31 H34 N2 O6.47 -","- C124 H136 N8 O25.88 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1409","0.1043","","","0.2066","0.2215","","","","","","1.119","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550110","11.195","0.015","17.69","0.03","13.449","0.018","90","","94.4","0.05","90","","2656","7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O7 -","- C31 H34.0026 N2 O7 -","- C124 H136.01 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1194","0.0993","","","0.2094","0.2194","","","","","","1.181","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550111","11.475","0.006","17.669","0.009","13.248","0.007","90","","94.87","0.02","90","","2676","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H33 N2 O7 -","- C31 H33 N2 O7 -","- C124 H132 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1286","0.1109","","","0.2424","0.2508","","","","","","1.208","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550112","11.296","0.002","17.807","0.004","13.459","0.003","90","0.03","95.99","0.03","90","0.03","2692.5","1","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid _2, 3-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34.12 N2 O6.33 -","- C31 H34.12 N2 O6.33 -","- C124 H136.48 N8 O25.32 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0542","0.0447","","","0.1259","0.1376","","","","","","1.067","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550113","11.199","0.02","17.71","0.03","13.4","0.03","90","","94.85","0.07","90","","2648","9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.17 -","- C31 H34 N2 O6.17 -","- C124 H136 N8 O24.68 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1483","0.1065","","","0.19","0.2065","","","","","","1.073","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550114","11.369","0.004","17.66","0.006","13.539","0.005","90","","95.632","0.017","90","","2705.2","1.7","293.15","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.27 -","- C31 H34 N2 O6.27 -","- C124 H136 N8 O25.08 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1275","0.0894","","","0.1744","0.1899","","","","","","1.057","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550115","11.102","0.005","17.701","0.009","13.437","0.006","90","","94.667","0.018","90","","2632","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.46 -","- C31 H34 N2 O6.46 -","- C124 H136 N8 O25.84 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.107","0.0986","","","0.2434","0.2556","","","","","","1.003","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550116","11.41","0.004","17.772","0.006","13.55","0.005","90","","95.891","0.019","90","","2733.1","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.4 -","- C31 H34 N2 O6.4 -","- C124 H136 N8 O25.6 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.093","0.0753","","","0.1535","0.1627","","","","","","1.058","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550117","11.405","","17.746","","13.511","","90","","95.49","","90","","2721.99","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.81 -","- C31 H34 N2 O6.81 -","- C124 H136 N8 O27.24 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.128","0.081","","","0.1985","0.2254","","","","","","1.104","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550118","11.246","0.01","17.607","0.016","13.523","0.013","90","","94.19","0.04","90","","2671","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-dihydroxybenzoic acid_Salt alloy","","","- C62 H68.91 N4 O13.03 -","- C62 H68.91 N4 O13.03 -","- C124 H137.82 N8 O26.06 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1804","0.0967","","","0.1676","0.1976","","","","","","1.038","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550119","11.319","0.002","17.672","0.004","13.391","0.003","90","0.03","93.9","0.03","90","0.03","2672.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O7 -","- C31 H34 N2 O7 -","- C124 H136 N8 O28 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0783","0.0718","","","0.1509","0.1541","","","","","","1.191","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550120","11.153","0.004","17.701","0.005","13.336","0.004","90","","95.232","0.017","90","","2621.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_Salt alloy","","","- C31.1 H33.33 N2 O6.35 -","- C31.1 H33.33 N2 O6.35 -","- C124.4 H133.32 N8 O25.4 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0823","0.0644","","","0.1626","0.1764","","","","","","1.169","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550121","11.404","0.005","17.591","0.008","13.269","0.006","90","","95.526","0.015","90","","2649","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.69 -","- C31 H34 N2 O6.69 -","- C124 H136 N8 O26.76 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.1057","0.0837","","","0.1639","0.1752","","","","","","1.055","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550122","11.237","0.005","17.571","0.006","13.374","0.006","90","","94.584","0.016","90","","2632.2","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C62 H67.8 N4 O12.63 -","- C62 H67.8 N4 O12.63 -","- C124 H135.6 N8 O25.26 -","2","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0744","0.053","","","0.1337","0.153","","","","","","1.067","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550123","11.279","0.005","17.633","0.007","13.377","0.006","90","","94.51","0.02","90","","2652","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_Benzoic acid_2-Hydroxybenzoic acid_2, 3-Dihydroxybenzoic acid_2, 4-Dihydroxybenzoic acid_2, 6-Dihydroxybenzoic acid_Salt alloy","","","- C31 H34 N2 O6.49 -","- C31 H34 N2 O6.49 -","- C124 H136 N8 O25.96 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0872","0.0722","","","0.1544","0.1622","","","","","","1.188","","","","has coordinates,has disorder","211663","2020-10-21","18:00:00",""
"1550124","11.074","0.002","17.895","0.003","14","0.002","90","","92.859","0.008","90","","2770.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Naftopidil_2,4,6-trihydroxybenzoic acid salt","","","- C31 H34 N2 O8 -","- C31 H34 N2 O8 -","- C124 H136 N8 O32 -","4","1","","Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini","Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals","IUCrJ","2018","5","6","","","10.1107/S2052252518014057","","","0.71073","MoKα","","0.0643","0.0459","","","0.1221","0.142","","","","","","1.117","","","","has coordinates","211663","2020-10-21","18:00:00",""
"1550129","3.8938","0.0002","5.8223","0.0003","25.8645","0.0016","90","","92.044","0.005","90","","586","0.06","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C24 H16 Br4 N4 O2 -","2","0.5","BH4042","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","(<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide","IUCrData","2018","3","10","x181486","","10.1107/S2414314618014864","","","1.54184","CuKα","","0.0516","0.0494","","","0.1352","0.1367","","","","","","1","","","","has coordinates,has Fobs","211686","2020-10-21","18:00:00",""
"1550130","9.7335","0.0007","10.6473","0.0007","24.7554","0.0017","87.443","0.002","84.272","0.002","62.978","0.002","2274.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","2-Amino-5-chlorobenzophenone","2-Benzoyl-4-chloroaniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C104 H80 Cl8 N8 O8 -","8","4","XU4036","Javed, Saleem; Faizi, Md. Serajul Haque; Nazia, Siddiqui; Iskenderov, Turganbay","2-Amino-5-chlorobenzophenone","IUCrData","2018","3","10","x181444","","10.1107/S241431461801444X","","","0.71073","MoKα","","0.2229","0.0799","","","0.1813","0.2252","","","","","","1.055","","","","has coordinates,has Fobs","211687","2020-10-21","18:00:00",""
"1550139","46.3286","0.0019","5.1027","0.0002","20.9343","0.0009","90","","114.049","0.002","90","","4519.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 N O2 Pt -","- C29 H25 N O2 Pt -","- C232 H200 N8 O16 Pt8 -","8","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0526","0.0458","","","0.1114","0.1161","","","","","","1.115","","","","has coordinates,has disorder","230970","2020-10-21","18:00:00",""
"1550140","27.0937","0.0013","11.3331","0.0006","6.7354","0.0003","90","","90","","90","","2068.14","0.17","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H21 F2 N O2 Pt -","- C25 H21 F2 N O2 Pt -","- C100 H84 F8 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0686","0.0393","","","0.0552","0.0604","","","","","","1.011","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550141","26.595","0.006","11.416","0.003","6.7344","0.0015","90","","90","","90","","2044.6","0.8","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H23 N O2 Pt -","- C25 H23 N O2 Pt -","- C100 H92 N4 O8 Pt4 -","4","1","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0502","0.0324","","","0.0572","0.0619","","","","","","1.017","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550142","13.1943","0.0005","14.617","0.0005","23.1255","0.0009","90","","92.449","0.001","90","","4455.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O3 Pt -","- C26 H25 N O3 Pt -","- C208 H200 N8 O24 Pt8 -","8","2","","Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M.","An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP","Polymer Chemistry","2018","9","45","5418","","10.1039/C8PY01337C","","x-ray","0.71073","MoKα","","0.0397","0.0259","","","0.0473","0.0509","","","","","","1.004","","","","has coordinates","230970","2020-10-21","18:00:00",""
"1550143","8.3132","0.0007","10.841","0.0009","12.801","0.0011","110.224","0.002","92.769","0.002","105.358","0.002","1031.34","0.15","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O4 Pd -","- C24 H22 N2 O4 Pd -","- C48 H44 N4 O8 Pd2 -","2","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.0442","0.0352","","","0.0746","0.0787","","","","","","1.034","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550144","15.029","0.0008","21.2571","0.0008","15.4985","0.0007","90","","94.786","0.002","90","","4934.1","0.4","303","2","303.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N2 O2 Pd -","- C28 H30 N2 O2 Pd -","- C224 H240 N16 O16 Pd8 -","8","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.093","0.047","","","0.0872","0.1075","","","","","","1.053","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550145","10.4912","0.0004","13.4734","0.0006","14.7253","0.0006","94.369","0.002","109.58","0.002","90.382","0.002","1954.24","0.14","300","2","300.11","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 N2 O2 Pd -","- C49 H40 N2 O2 Pd -","- C98 H80 N4 O4 Pd2 -","2","1","","Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo","Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts","Polymer Chemistry","2018","9","45","5476","","10.1039/C8PY01292J","","","0.71073","MoKα","","0.0657","0.0563","","","0.1181","0.1233","","","","","","1.142","","","","has coordinates","230971","2020-10-21","18:00:00",""
"1550146","6.0671","0.0004","7.5611","0.0005","13.8523","0.0009","92.078","0.003","93.838","0.002","90.994","0.003","633.49","0.07","100","","100","","","","","","","","","3","P -1","-P 1","2","","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","LQ5013","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.0486","0.0372","","","0.1107","0.1187","","","","","","1.044","","","","has coordinates,has disorder","211703","2020-10-21","18:00:00",""
"1550147","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.1113","0.0612","","","0.1396","0.1604","","","","","","1.073","","","","has coordinates","211703","2020-10-21","18:00:00",""
"1550148","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ketoprophen","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.094","0.038","","","","0.098","0.047","","","","","1.444","","","","has coordinates","211703","2020-10-21","18:00:00",""
"1550169","7.3899","0.0005","22.447","0.002","28.512","0.002","90","","90","","90","","4729.6","0.6","123","2","123","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","","- C10 H28 Cl6 N6 Te -","- C10 H28 Cl6 N6 Te -","- C80 H224 Cl48 N48 Te8 -","8","","XI4001","Giltzau, Niels Ole; Köckerling, Martin","Bis(tetramethylguanidinium) hexachloridotellurate(IV)","IUCrData","2018","3","10","x181488","","10.1107/S2414314618014888","","","0.71073","MoKα","","0.0142","0.0128","","","0.0333","0.0342","","","","","","1.256","","","","has coordinates,has Fobs","211748","2020-10-21","18:00:00",""
"1550170","23.729","0.003","22.495","0.003","36.442","0.005","90","","90.573","0.004","90","","19451","4","100","","100","","","","","","","","see text","6","C 1 c 1","C -2yc","9","","","","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C85 H89.5 B Cu2 F24.5 Zn5 -","- C680 H716 B8 Cu16 F196 Zn40 -","8","2","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.1143","0.0663","","","0.1475","0.1685","","","","","","1.024","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550171","16.1793","0.0014","37.93","0.003","17.4798","0.0015","90","","105.636","0.003","90","","10330","1.5","100","","100","","","","","","","","see text","4","P 1 n 1","P -2yac","7","","","","- C50 H75 Cu3 Zn4 -","- C50 H75 Cu3 Zn4 -","- C400 H600 Cu24 Zn32 -","8","4","","Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Embryonic brass: pseudo two electron Cu/Zn clusters.","Chemical science","2018","9","48","8906","8913","10.1039/c8sc03902j","","x-ray","0.71073","MoKα","","0.047","0.0408","","","0.0958","0.0993","","","","","","1.061","","","","has coordinates,has disorder","228767","2020-10-21","18:00:00",""
"1550172","10.4422","0.0005","7.4149","0.0006","7.4123","0.0004","90","","90","","90","","573.92","0.06","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","Yb3ReO7","","","- O7 Re Yb3 -","- O7 Re Y3 -","- O28 Re4 Y12 -","4","0.5","","Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.","Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2018","126","","920","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","211755","2020-10-21","18:00:00",""
"1550173","5.195","0.0002","5.195","0.0002","5.195","0.0002","90","","90","","90","","140.203","0.009","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","Yb3ReO7","","","- O7 Re Yb3 -","- O7 Re Yb3 -","- O7 Re Yb3 -","1","0.00520833","","Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.","Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure","Journal of the Ceramic Society of Japan","2018","126","","920","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","211757","2020-10-21","18:00:00",""
"1550183","23.254","0.003","22.981","0.003","17.777","0.002","90","","98.488","0.004","90","","9396","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 In2 N7 O16 -","- C78 H67 In2 N7 O16 -","- C312 H268 In8 N28 O64 -","4","0.5","","Maka, Vijay Kumar; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Fluorescent 2D metal-organic framework nanosheets (MONs): design, synthesis and sensing of explosive nitroaromatic compounds (NACs).","Nanoscale","2018","10","47","22389","22399","10.1039/c8nr04992k","","","0.71073","MoKα","","0.1509","0.0883","","","0.2638","0.3074","","","","","","1.034","","","","has coordinates","230151","2020-10-21","18:00:00",""
"1550197","19.8067","0.0002","21.3657","0.0002","24.6098","0.0003","90","","94.909","0.001","90","","10376.3","0.19","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C154 H154 Ag30 F24 N4 O28 S20 -","- C154 H154 Ag30 F24 N4 O28 S20 -","- C308 H308 Ag60 F48 N8 O56 S40 -","2","0.5","","Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan","New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure","Nanoscale","2018","","","","","10.1039/C8NR07714B","","x-ray","1.54184","CuKα","","0.079","0.0584","","","0.1537","0.1616","","","","","","1.077","","","","has coordinates,has disorder","211819","2020-10-21","18:00:00",""
"1550198","30.37","0.0004","30.37","0.0004","39.4849","0.0006","90","","90","","120","","31539.2","0.8","150","0.1","150","0.1","","","","","","","","7","R -3 c","-R 3 2""c","167","","","","- C162 H168 Ag34 F27 N6 O24 S20 -","- C162 H168 Ag34 F27 N6 O24 S19.9998 -","- C972 H1008 Ag204 F162 N36 O144 S119.999 -","6","","","Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan","New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure","Nanoscale","2018","","","","","10.1039/C8NR07714B","","x-ray","1.54184","CuKα","","0.0797","0.06","","","0.1731","0.1941","","","","","","1.033","","","","has coordinates,has disorder","211819","2020-10-21","18:00:00",""
"1550199","30.3706","0.0005","30.3706","0.0005","39.4126","0.0008","90","","90","","120","","31482.7","1","150.01","0.1","150.01","0.1","","","","","","","","8","R -3 c","-R 3 2""c","167","","","","- C162 H168 Ag33 Au F27 N6 O24 S20 -","- C162 H168 Ag33 Au F27 N6 O24 S19.9998 -","- C972 H1008 Ag198 Au6 F162 N36 O144 S119.999 -","6","","","Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan","New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure","Nanoscale","2018","","","","","10.1039/C8NR07714B","","x-ray","1.54184","CuKα","","0.0796","0.0536","","","0.1472","0.1718","","","","","","1.022","","","","has coordinates,has disorder","211819","2020-10-21","18:00:00",""
"1550200","19.6249","0.0016","7.2198","0.0006","14.9117","0.0012","90","","108.592","0.001","90","","2002.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-(Aminothioxomethyl)-1-methyl-pyridinium","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","","- C7 H9 I N2 S -","- C7 H9 I N2 S -","- C56 H72 I8 N16 S8 -","8","1","BH4040","Shotonwa, Ibukun O.; Boeré, René T.","1-Methyl-4-thiocarbamoylpyridin-1-ium iodide","IUCrData","2018","3","11","","","10.1107/S2414314618014918","","","0.71073","MoKα","","0.0161","0.0138","","","0.0309","0.0317","","","","","","1.068","","","","has coordinates,has Fobs","211830","2020-10-21","18:00:00",""
"1550205","8.9115","0.0002","16.2345","0.0003","32.4328","0.0007","90","","90","","90","","4692.17","0.17","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H38 N4 O2 -","- C22 H38 N4 O2 -","- C176 H304 N32 O16 -","8","1","","Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita","Investigating the effect of supramolecular gel phase crystallization on gel nucleation.","Soft matter","2018","14","46","9489","9497","10.1039/c8sm01916a","","x-ray","0.71073","MoKα","","0.0934","0.0637","","","0.1549","0.1738","","","","","","1.029","","","","has coordinates,has disorder","230976","2020-10-21","18:00:00",""
"1550216","10.0535","0.0012","12.3705","0.0014","19.236","0.002","90","","104.476","0.003","90","","2316.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","μ~2~-Chlorido-chlorido(μ~2~-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κ<i>O</i>)cobalt(II)lithium","","- C19 H37 Cl2 Co Li N2 O3 -","- C19 H37 Cl2 Co Li N2 O3 -","- C76 H148 Cl8 Co4 Li4 N8 O12 -","4","1","WM4089","Vinocour, Felipe A.; Soto-Navarro, Andrea; Pineda, Leslie W.","μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium","IUCrData","2018","3","11","","","10.1107/S2414314618015778","","","0.71073","MoKα","","0.0616","0.0515","","","0.1347","0.1403","","","","","","1.233","","","","has coordinates,has Fobs","211896","2020-10-21","18:00:00",""
"1550217","10.1497","0.0012","5.1276","0.0004","11.6896","0.0016","90","","99.541","0.01","90","","599.95","0.12","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","7-[7-Hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","BT4076","Detert, Heiner; Schollmeyer, Dieter","The <i>rel-R</i>,<i>R</i>-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol","IUCrData","2018","3","11","x181550","","10.1107/S241431461801550X","","","0.71073","MoKα","","0.0642","0.0433","","","0.0867","0.097","","","","","","1.046","","","","has coordinates,has Fobs","211897","2020-10-21","18:00:00",""
"1550236","9.7438","0.0015","9.9224","0.0016","10.984","0.0019","64.086","0.006","78.354","0.007","63.503","0.006","854.8","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-dimethylaniline","","- C22 H23 N -","- C22 H23 N -","- C44 H46 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.1115","0.0778","","","0.2647","0.2795","","","","","","1.125","","","","has coordinates","227955","2020-10-21","18:00:00",""
"1550237","8.3046","0.0002","10.7954","0.0002","12.0469","0.0002","109.64","0.0009","100.96","0.0008","104.352","0.0009","940.16","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4-(1,1-diphenylethyl)-N,N-diethylaniline","","- C24 H27 N -","- C24 H27 N -","- C48 H54 N2 -","2","1","","Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude","Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept","Catalysis Science & Technology","2018","8","24","6486","","10.1039/C8CY01309H","","","0.71073","MoKα","","0.0607","0.0456","","","0.1194","0.1296","","","","","","1.054","","","","has coordinates","227955","2020-10-21","18:00:00",""
"1550250","19.45","0.002","33.881","0.004","34.509","0.004","90","","103.592","0.005","90","","22104","4","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","C3 cyclo-tris-[5]helicene","","- C252 H264 O48 -","- C234 H228 O48 -","- C936 H912 O192 -","4","1","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1603","0.1449","","","0.3497","0.3592","","","","","","1.136","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550251","15.6031","0.0009","23.6859","0.0013","26.9809","0.0015","84.266","0.002","75.642","0.003","75.481","0.003","9343.9","0.9","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C104.5 H86.5 Cl7.5 O24 -","- C104 H86 Cl6 O24 -","- C416 H344 Cl24 O96 -","4","2","","Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien","Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.","Chemical science","2018","9","48","8930","8936","10.1039/c8sc02877j","","","0.71073","MoKα","","0.1392","0.1155","","","0.2976","0.3148","","","","","","1.07","","","","has coordinates,has disorder","228766","2020-10-21","18:00:00",""
"1550273","7.485","0.005","9.173","0.007","16.995","0.013","90","","90","","90","","1166.9","1.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C16 H14 O","1,1-Diphenylbut-3-yn-1-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","HB4269","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 1,1-diphenylbut-3-yn-1-ol","IUCrData","2018","3","11","x181619","","10.1107/S241431461801619X","","","0.71073","MoKα","","0.0274","0.027","","","0.0747","0.075","","","","","","1.062","","","","has coordinates,has Fobs","212146","2020-10-21","18:00:00",""
"1550274","12.1143","0.0004","9.8134","0.0001","14.2602","0.0002","90","","95.116","0.001","90","","1688.53","0.06","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-3-methylisochroman-1-one‒2-(carboxymethyl)benzoic acid (1/1)","","- C19 H18 O7 -","- C19 H18 O7 -","- C76 H72 O28 -","4","1","","Abou, Akoun; Akonan, Ludovic; Koblavi-Mansilla, Frédérica; N'gouan, Aka Joseph; Kambo, Konan René","3-Hydroxy-3-methylisochroman-1-one‒2-(carboxymethyl)benzoic acid (1/1)","IUCrData","2018","3","11","x181653","","10.1107/S241431461801653X","","","0.71073","MoKα","","0.0533","0.0437","","","0.1093","0.1158","","","","","","1.048","","","","has coordinates,has Fobs","212147","2020-10-21","18:00:00",""
"1550275","9.424","0.0004","16.0262","0.0007","20.8913","0.001","90","","99.042","0.001","90","","3116","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","","- C20 H16 O S -","- C20 H16 O S -","- C160 H128 O8 S8 -","8","2","RZ4026","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol","IUCrData","2018","3","11","x181616","","10.1107/S2414314618016164","","","0.71073","MoKα","","0.1733","0.0741","","","0.1056","0.1367","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","212148","2020-10-21","18:00:00",""
"1550276","5.1371","0.0002","9.5237","0.0004","12.9884","0.0006","106.521","0.002","96.067","0.002","95.618","0.002","600.32","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dithiobis(formamidinium) bis(hydrogen sulfate)","","- C2 H10 N4 O8 S4 -","- C2 H10 N4 O8 S4 -","- C4 H20 N8 O16 S8 -","2","1","BT4077","Zouihri, Hafid; El Korchi, Khadija; Yamni, Khalid; Tijani, Najib","Dithiobis(formamidinium) bis(hydrogen sulfate)","IUCrData","2018","3","11","x181540","","10.1107/S2414314618015407","","","0.71073","MoKα","","0.0394","0.0357","","","0.0984","0.1","","","","","","1.112","","","","has coordinates,has Fobs","212149","2020-10-21","18:00:00",""
"1550277","7.9772","0.0003","22.8528","0.0008","7.3075","0.0003","90","","92.791","0.001","90","","1330.59","0.09","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C17 H16 O2","5,5-Diphenylpent-2-yne-1,5-diol","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","HB4268","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 5,5-diphenylpent-2-yne-1,5-diol","IUCrData","2018","3","11","x181618","","10.1107/S2414314618016188","","","0.71073","MoKα","","0.0531","0.0446","","","0.0997","0.104","","","","","","1.027","","","","has coordinates,has Fobs","212150","2020-10-21","18:00:00",""
"1550278","6.5921","0.0014","8.3935","0.0018","13.185","0.003","92.023","0.003","98.309","0.003","99.741","0.003","710.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","","- C6 H7 N5 O -","- C6 H7 N5 O -","- C24 H28 N20 O4 -","4","2","HB4263","Lahmidi, Sanae; El Hafi, Mohamed; kheira Sebbar, Nada; Abad, Nadeem; Essassi, El Mokhtar; Mague, Joel T.","2-Amino-5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7(4<i>H</i>)-one","IUCrData","2018","3","11","x181500","","10.1107/S2414314618015006","","","0.71073","MoKα","","0.0573","0.0454","","","0.1298","0.1377","","","","","","1.132","","","","has coordinates,has Fobs","212151","2020-10-21","18:00:00",""
"1550294","10.865","0.0008","14.3936","0.0009","9.8008","0.0008","90","","111.68","0.009","90","","1424.3","0.2","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","BX4013","Kotha, Sambasivarao; Gunta, Rama; Cheekatla, Subba Rao; Mhatre, Darshan S.","Spiro[cyclopentane-1,11'-hexacyclo[7.6.0.0^1,6^.0^6,13^.0^8,12^.0^10,14^]pentadecane]-7',15'-dione","IUCrData","2018","3","11","x181590","","10.1107/S2414314618015900","","x-ray","0.71073","MoKα","","0.0719","0.0523","","","0.1225","0.1398","","","","","","1.045","","","","has coordinates,has Fobs","212228","2020-10-21","18:00:00",""
"1550295","3.868","0.0002","3.868","0.0002","15.0321","0.0015","90","","90","","90","","224.9","0.03","293","","293","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Dicalcium oxidocuprate(II) dichloride","","- Ca2 Cl2 Cu O2 -","- Ca2 Cl2 Cu O2 -","- Ca4 Cl4 Cu2 O4 -","2","0.0625","WM4087","Baptiste, Benoît; Azuma, Masaki; Yu, Runze; Giura, Paola; d'Astuto, Matteo","Ca2CuO2Cl2, a redetermination from single-crystal X-ray diffraction data","IUCrData","2018","3","11","","","10.1107/S2414314618016450","","","0.71073","MoKα","","0.0175","0.0175","","","0.0472","0.0472","","","","","","1.242","","","","has coordinates,has Fobs","212229","2020-10-21","18:00:00",""
"1550311","8.1914","0.0014","9.5151","0.0016","17.781","0.003","90","","94.88","0.002","90","","1380.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","LH4040","Abad, Nadeem; Ramli, Youssef; Lahmidi, Sanae; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","1-(3-Hydroxypropyl)-3-phenylquinoxalin-2(1<i>H</i>)-one","IUCrData","2018","3","11","x181633","","10.1107/S2414314618016334","","","0.71073","MoKα","","0.0537","0.0455","","","0.1296","0.1352","","","","","","1.099","","","","has coordinates,has Fobs","212277","2020-10-21","18:00:00",""
"1550312","7.6672","0.0003","9.9098","0.0004","11.4101","0.0004","82.548","0.001","78.176","0.002","76.607","0.002","822.39","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","","- C19 H17 N3 S -","- C19 H17 N3 S -","- C38 H34 N6 S2 -","2","1","SJ4195","Loubidi, Mohamed; Jouha, Jabrane; Tber, Zahira; El Hafi, Mohamed; Essassi, El Mokhtar; Mague, Joel T.","3,4,6-Trimethyl-1-phenyl-5-(thiophen-3-yl)-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridine","IUCrData","2018","3","11","x181593","","10.1107/S2414314618015936","","","1.54178","CuKα","","0.047","0.0426","","","0.1126","0.1171","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","212278","2020-10-21","18:00:00",""
"1550313","6.4405","0.0009","7.266","0.0014","28.081","0.004","90","","90","","90","","1314.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","LH4041","Stondus, Jigmat; Anthal, Sumati; Jayashree, A.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","Polymorph of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)isonicotinohydrazide monohydrate","IUCrData","2018","3","11","x181634","","10.1107/S2414314618016346","","","0.71073","MoKα","","0.1153","0.0666","","","0.1232","0.1475","","","","","","1.016","","","","has coordinates,has Fobs","212279","2020-10-21","18:00:00",""
"1550314","5.4774","0.0006","11.1557","0.0012","14.561","0.0017","90","","90","","90","","889.74","0.17","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-hydroxyphenyl)propionate","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","RZ4027","Abdou, Moaz M.; Matziari, Magdalini; O'Neill, Paul M.; Amigues, Eric; Zhou, Ruixue; Wang, Ruiyao; Ali, Basem F.","Methyl 3-(4-hydroxyphenyl)propionate","IUCrData","2018","3","11","x181662","","10.1107/S2414314618016620","","","0.71073","MoKα","","0.0637","0.0401","","","0.0815","0.0905","","","","","","1.042","","","","has coordinates,has Fobs","212280","2020-10-21","18:00:00",""
"1550315","20.901","0.004","21.475","0.004","22.535","0.005","95.04","0.03","114.57","0.03","117.69","0.03","7633","5","400","2","400","2","","","","","","","","6","P -1","-P 1","2","","","","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","1","0.5","","Dell'Elce, Simone; Liscio, Fabiola; Kovtun, Alessandro; Allegri, Stefano; Roscioni, Otello M.; Albonetti, Cristiano; De Luca, Giovanna; Amenitsch, Heinz W.; Demitri, Nicola; Giorgini, Loris; Morandi, Vittorio; Stellacci, Francesco; Liscio, Andrea; Palermo, Vincenzo","3D to 2D reorganization of silver-thiol nanostructures, triggered by solvent vapor annealing.","Nanoscale","2018","10","48","23018","23026","10.1039/c8nr07109h","","","0.7","Synchrotron","","0.125","0.0773","","","0.2195","0.2602","","","","","","1.06","","","","has coordinates","230152","2020-10-21","18:00:00",""
"1550316","20.4051","0.0004","20.8665","0.0004","21.9791","0.0004","114.956","0.002","93.756","0.002","116.423","0.002","7219.1","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","- C276 H200 Ag44 F30 P4 S30 -","1","0.5","","Dell'Elce, Simone; Liscio, Fabiola; Kovtun, Alessandro; Allegri, Stefano; Roscioni, Otello M.; Albonetti, Cristiano; De Luca, Giovanna; Amenitsch, Heinz W.; Demitri, Nicola; Giorgini, Loris; Morandi, Vittorio; Stellacci, Francesco; Liscio, Andrea; Palermo, Vincenzo","3D to 2D reorganization of silver-thiol nanostructures, triggered by solvent vapor annealing.","Nanoscale","2018","10","48","23018","23026","10.1039/c8nr07109h","","","0.70848","Synchrotron","","0.088","0.0585","","","0.1333","0.1459","","","","","","1.029","","","","has coordinates,has disorder","230152","2020-10-21","18:00:00",""
"1550317","6.447","0.0001","7.2778","0.0001","8.6251","0.0002","90","","106.711","0.001","90","","387.598","0.012","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","BiOHSO4","","","- Bi H O5 S -","- Bi O5 S -","- Bi4 O20 S4 -","4","0.5","","Yamamoto, Y.; Withanage, W.I.U.; Takei, T.; Yanagida, S.; Kumada, N.; Yamane, H.","Hydrothermal reaction of NaBiO3*nH2O with transition-metal (Co, Ni, Cu) salts","Journal of the Ceramic Society of Japan","2018","126","","1005","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","212320","2020-10-21","18:00:00",""
"1550332","13.61515","0.00013","13.61515","0.00013","7.67903","0.00013","90","","90","","90","","1423.48","0.03","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.32 H2.64 Ca O5 -","- C4.32 H2.64 Ca O5 -","- C34.56 H21.12 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54184","CuKα","","0.0806","0.0747","","","0.2029","0.2211","","","","","","1.135","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550333","13.6335","0.0007","13.6335","0.0007","7.6869","0.0018","90","","90","","90","","1428.8","0.4","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4.4 H2.8 Ca O5 -","- C4.4 H2.8 Ca O5 -","- C35.2 H22.4 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0512","0.0489","","","0.1402","0.1424","","","","","","1.067","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550334","13.6557","0.0002","13.6557","0.0002","7.7174","0.0003","90","","90","","90","","1439.13","0.06","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H2 Ca O5 -","- C4 H2 Ca O5 -","- C32 H16 Ca8 O40 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0674","0.0649","","","0.1696","0.1702","","","","","","1.104","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550335","13.575","0.002","13.575","0.002","7.687","0.002","90","","90","","90","","1416.6","0.5","200","2","200","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C4 Ca O6 -","- C4 Ca O5.9999 -","- C32 Ca8 O47.9992 -","8","0.5","","Rui-Biao Lin; Libo Li; Hao-Long Zhou; Hui Wu; Chaohui He; Shun Li; Rajamani Krishna; Jinping Li; Wei Zhou; Banglin Chen","Molecular sieving of ethylene from ethane using a rigid metal-organic framework","Nature Materials","2018","17","","1128","1133","10.1038/s41563-018-0206-2","","","1.54178","CuKα","","0.0632","0.0632","","","0.1734","0.1734","","","","","","1.225","","","","has coordinates,has disorder","231202","2020-10-21","18:00:00",""
"1550336","4.8011","0.0002","6.5522","0.0003","7.5052","0.0003","93.618","0.002","107.044","0.002","95.658","0.002","223.575","0.017","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C9 H11 N O3 -","1","1","FY2132","Baillargeon, Pierre; Rahem, Tarik; Amigo, Carl; Fortin, Daniel; Dory, Yves L.","Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group","IUCrData","2018","3","12","x181630","","10.1107/S2414314618016309","","","1.54178","CuKα","","0.0548","0.0515","","","0.1447","0.154","","","","","","1.115","","","","has coordinates,has Fobs","212403","2020-10-21","18:00:00",""
"1550356","8.3019","0.0017","16.628","0.003","6.7622","0.0014","90","","90","","90","","933.5","0.3","173","","173","","","","","","","","","4","P b c m","-P 2c 2b","57","","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","0.5","VM4039","Furuya, Tetsundo; Yagi, Shiomi; Yamazaki, Shu; Haraguchi, Tomoyuki; Akitsu, Takashiro; Mahesha, Ninganayaka; Sagar, Belakavadi K.; Yathirajan, Hemmige S.","Methyl 1-methyl-1<i>H</i>-indole-3-carboxylate","IUCrData","2018","3","12","x181728","","10.1107/S2414314618017285","","","0.71073","MoKα","","0.0667","0.0647","","","0.2054","0.2077","","","","","","1.119","","","","has coordinates,has Fobs","212553","2020-10-21","18:00:00",""
"1550362","20.216","0.004","21.275","0.002","20.821","0.0017","90","","115.414","0.013","90","","8088","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) bis[(5,10,15,20-tetraphenylporphyrinato)zinc(II)] chloroform tetrasolvate","","- C188 H140 Cl12 N16 O8 Zn3 -","- C188 H140 Cl12 N16 O8 Zn3 -","- C376 H280 Cl24 N32 O16 Zn6 -","2","0.5","WM4090","Makino, Masatomo; Matsubayashi, Kazuhiko; Kodama-Oda, Yukiko; Imawaka, Naoto; Mizuno, Nobuhiro; Kumasaka, Takashi; Yoshino, Katsumi","Construction of a supramolecule comprising [2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyaninato]zinc(II) and (5,10,15,20-tetraphenylporphyrinato)zinc(II)","IUCrData","2018","3","12","x181741","","10.1107/S2414314618017418","","","0.7","synchrotron","","0.0409","0.0384","","","0.0932","0.0945","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","212613","2020-10-21","18:00:00",""
"1550363","12.996","0.003","9.2813","0.0019","8.665","0.002","90","","105.503","0.007","90","","1007.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium propanedioate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","BT4079","Suresh, S.; Pandi, P.; Akilan, R.; Kumar, R. Mohan; Chakkaravarthi, G.","4-Methylanilinium 2-carboxyacetate","IUCrData","2018","3","12","x181714","","10.1107/S2414314618017145","","","0.71073","MoKα","","0.0662","0.0406","","","0.0949","0.1117","","","","","","1.053","","","","has coordinates,has Fobs","212614","2020-10-21","18:00:00",""
"1550364","7.8233","0.0005","7.4705","0.0005","20.1932","0.0012","90","","94.866","0.006","90","","1175.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","","- C11 H8 Cl2 N2 O3 -","- C11 H8 Cl2 N2 O3 -","- C44 H32 Cl8 N8 O12 -","4","1","","Stondus, Jigmat; Anthal, Sumati; Karanth, S.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide","IUCrData","2018","3","12","x181740","","10.1107/S2414314618017406","","","0.71073","MoKα","","0.0541","0.0385","","","0.0918","0.1018","","","","","","1.032","","","","has coordinates,has Fobs","212615","2020-10-21","18:00:00",""
"1550365","7.5676","0.0002","10.7802","0.0002","11.4092","0.0003","90","","90","","90","","930.77","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","HB4272","Dioukhane, Khadim; Aouine, Younas; Faraj, Hassane; Alami, Anouar; Essassi, El Mokhtar; Zouihri, Hafid","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2018","3","12","x181718","","10.1107/S2414314618017182","","","0.71073","MoKα","","0.0297","0.0283","","","0.0837","0.0858","","","","","","1.026","","","","has coordinates,has Fobs","212616","2020-10-21","18:00:00",""
"1550374","8.711","0.0003","24.171","0.001","11.0653","0.0004","90","","102.598","0.001","90","","2273.75","0.15","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(benzothiazolium) dodeca-μ-chlorido-hexachlorido-<i>octahedro</i>-hexaniobium(12 <i>Nb—Nb</i>) tetrahydrofuran disolvate","","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C22 H28 Cl18 N2 Nb6 O2 S2 -","- C44 H56 Cl36 N4 Nb12 O4 S4 -","2","0.5","ZQ4033","Sperlich, Eric; Köckerling, Martin","(C~7~H~6~NS)~2~[Nb~6~Cl~18~]·2C~4~H~8~O: first niobium cluster with an <i>N</i>,<i>S</i>-heterocyclic cation","IUCrData","2018","3","12","x181760","","10.1107/S2414314618017601","","","0.71073","MoKα","","0.0288","0.023","","","0.0453","0.0472","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","212659","2020-10-21","18:00:00",""
"1550385","10.1891","0.0005","7.4627","0.0004","11.4884","0.0006","90","","111.635","0.001","90","","812.02","0.07","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C20 H40 N8 O12 S4 -","4","1","BV4023","Hmissa, Taha; Mathivathanan, Logesh; Thompson, Alexander P.; Mirjafari, Arsalan","1-Methyl-1<i>H</i>-imidazol-3-ium methanesulfonate","IUCrData","2018","3","12","x181781","","10.1107/S2414314618017819","","","0.71073","MoKα","","0.0338","0.0306","","","0.0821","0.0848","","","","","","1.075","","","","has coordinates,has Fobs","212747","2020-10-21","18:00:00",""
"1550386","7.818","0.003","17.017","0.006","8.189","0.003","90","","117.459","0.004","90","","966.7","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ethyl 2,4-dihydroxy-6-methylbenzoate","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","ZL4028","Xiong, Huiping; Mao, Shilong; Lv, Qianzhou; Zhang, Ning","Crystal structure of the ethyl 2,4-dihydroxy-6-methylbenzoate from <i>Illicium difengpi</i> K.I.B et K.I.M.","IUCrData","2018","3","12","x181776","","10.1107/S2414314618017765","","","0.71073","MoKα","","0.0818","0.0571","","","0.1552","0.1715","","","","","","1.023","","","","has coordinates","212748","2020-10-21","18:00:00",""
"1550387","8.4464","0.0004","10.4163","0.0005","13.488","0.0006","71.55","0.004","76.477","0.004","71.75","0.004","1057.04","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","","- C24 H22 N2 O P2 -","- C24 H22 N2 O P2 -","- C48 H44 N4 O2 P4 -","2","1","RZ4028","Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine","IUCrData","2018","3","12","x181784","","10.1107/S2414314618017844","","","0.71073","MoKα","","0.0467","0.0312","","","0.0718","0.0746","","","","","","0.891","","","","has coordinates,has Fobs","212749","2020-10-21","18:00:00",""
"1550511","14.0951","0.0009","5.8123","0.0004","10.0848","0.0007","90","","90","","90","","826.2","0.1","","","","","","","","","","","","9","P n m a","-P 2ac 2n","62","ZrAl2Ti4O11","","carmeltazite","- Al1.89 Ca0.05 Hf0.01 O11 Sc0.06 Si0.13 Ti3.6 Y0.02 Zr1.04 -","- Al1.95 Mg0.22 O11 Si0.13 Ti3.75 Zr0.85 -","- Al7.8 Mg0.88 O44 Si0.52 Ti15 Zr3.4 -","4","0.5","","Griffin, W.L.; Gain, S.E.M.; Bindi, L.; Toledo, V.; Camara, F.; Saunders, M.; O'Reilly, S.Y.","Carmeltazite, ZrAl2Ti4O12, a new mineral trapped in corundum from volcanic rocks of Mt Carmel, Northern Israel","Minerals","2018","8","","601","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","213251","2020-10-21","18:00:00",""
"1550780","4.58315","0.00008","4.58315","0.00008","7.2728","0.00008","90","","90","","120","","132.3","0.004","","","295","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi0.49 Mg3 Sb1.5 Te0.01 -","- Bi0.49 Mg3 Sb1.5 Te0.01 -","- Bi0.49 Mg3 Sb1.5 Te0.01 -","1","0.0833333","","Kanno, Tsutomu; Tamaki, Hiromasa; Sato, Hiroki K.; Kang, Stephen Dongmin; Ohno, Saneyuki; Imasato, Kazuki; Kuo, Jimmy Jiahong; Snyder, G. Jeffrey; Miyazaki, Yuzuru","Enhancement of average thermoelectric figure of merit by increasing the grain-size of Mg3.2Sb1.5Bi0.49Te0.01","Applied Physics Letters","2018","112","3","033903","","10.1063/1.5016488","powder diffraction","x-ray","0.41454","","","","","","","0.07137","","0.02909","","1.132","","","","","","","has coordinates","214341","2020-10-21","18:00:00",""
"1551114","10.277","0.002","4.643","0.0009","11.285","0.002","90","","92.48","0.03","90","","537.97","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","synchrotron","","0.0419","0.0382","","","0.1052","0.1074","","","","","","1.153","","","","has coordinates","215470","2020-10-21","18:00:00",""
"1551115","10.225","0.002","4.708","0.0009","11.187","0.002","90","","93.01","0.03","90","","537.79","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1839","0.0896","","","0.1516","0.1942","","","","","","1.138","","","","has coordinates","215471","2020-10-21","18:00:00",""
"1551116","10.231","0.002","4.7","0.0009","11.191","0.002","90","","92.95","0.03","90","","537.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.088","0.0641","","","0.1556","0.174","","","","","","1.103","","","","has coordinates","215472","2020-10-21","18:00:00",""
"1551117","10.257","0.002","4.678","0.0009","11.221","0.002","90","","92.81","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1365","0.0922","","","0.228","0.2617","","","","","","1.078","","","","has coordinates","215473","2020-10-21","18:00:00",""
"1551118","10.259","0.002","4.673","0.0009","11.23","0.002","90","","92.77","0.03","90","","537.74","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0727","0.0592","","","0.1444","0.1538","","","","","","1.08","","","","has coordinates","215474","2020-10-21","18:00:00",""
"1551119","10.238","0.002","4.691","0.0009","11.211","0.002","90","","92.85","0.03","90","","537.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.075","0.0619","","","0.1464","0.1597","","","","","","1.115","","","","has coordinates","215477","2020-10-21","18:00:00",""
"1551120","10.25","0.002","4.683","0.0009","11.213","0.002","90","","92.77","0.03","90","","537.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0641","0.0563","","","0.1268","0.1338","","","","","","1.098","","","","has coordinates","215478","2020-10-21","18:00:00",""
"1551121","10.268","0.002","4.674","0.0009","11.227","0.002","90","","92.56","0.03","90","","538.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0637","0.0578","","","0.1269","0.1313","","","","","","1.108","","","","has coordinates","215479","2020-10-21","18:00:00",""
"1551122","10.264","0.002","4.664","0.0009","11.249","0.002","90","","92.6","0.03","90","","537.95","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0591","0.0537","","","0.1101","0.1137","","","","","","1.07","","","","has coordinates","215480","2020-10-21","18:00:00",""
"1551123","10.271","0.002","4.654","0.0009","11.269","0.002","90","","92.46","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0586","0.0526","","","0.1146","0.1194","","","","","","1.126","","","","has coordinates","215481","2020-10-21","18:00:00",""
"1551124","10.278","0.002","4.629","0.0009","11.318","0.002","90","","92.33","0.03","90","","538.03","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0599","0.054","","","0.118","0.1217","","","","","","1.135","","","","has coordinates","215482","2020-10-21","18:00:00",""
"1551125","10.283","0.002","4.618","0.0009","11.334","0.002","90","","92.26","0.03","90","","537.8","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0564","0.051","","","0.1055","0.109","","","","","","1.157","","","","has coordinates","215483","2020-10-21","18:00:00",""
"1551126","10.292","0.002","4.605","0.0009","11.36","0.002","90","","92.17","0.03","90","","538.02","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.056","0.0517","","","0.1095","0.1129","","","","","","1.107","","","","has coordinates","215484","2020-10-21","18:00:00",""
"1551127","10.301","0.002","4.594","0.0009","11.38","0.002","90","","92.07","0.03","90","","538.18","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0621","0.0554","","","0.1373","0.1448","","","","","","1.132","","","","has coordinates","215485","2020-10-21","18:00:00",""
"1551128","10.301","0.002","4.58","0.0009","11.413","0.002","90","","91.95","0.03","90","","538.14","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.064","0.0555","","","0.1286","0.1364","","","","","","1.112","","","","has coordinates","215486","2020-10-21","18:00:00",""
"1551129","10.305","0.002","4.573","0.0009","11.428","0.002","90","","91.94","0.03","90","","538.23","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.071","0.0602","","","0.1466","0.1565","","","","","","1.07","","","","has coordinates","215487","2020-10-21","18:00:00",""
"1551130","10.321","0.002","4.563","0.0009","11.444","0.002","90","","91.68","0.03","90","","538.72","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0735","0.0543","","","0.1261","0.1376","","","","","","1.163","","","","has coordinates","215488","2020-10-21","18:00:00",""
"1551131","10.326","0.002","4.558","0.0009","11.451","0.002","90","","91.63","0.03","90","","538.73","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.1779","0.0731","","","0.1313","0.1687","","","","","","1.08","","","","has coordinates","215489","2020-10-21","18:00:00",""
"1551132","10.261","0.002","4.668","0.0009","11.242","0.002","90","","92.72","0.03","90","","537.87","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0545","0.0472","","","0.1076","0.1122","","","","","","1.125","","","","has coordinates","215490","2020-10-21","18:00:00",""
"1551133","10.266","0.002","4.659","0.0009","11.26","0.002","90","","92.63","0.03","90","","537.99","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0466","0.0422","","","0.0971","0.0998","","","","","","1.2","","","","has coordinates","215491","2020-10-21","18:00:00",""
"1551134","10.268","0.002","4.654","0.0009","11.268","0.002","90","","92.61","0.03","90","","537.91","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0469","0.0438","","","0.0946","0.0964","","","","","","1.2","","","","has coordinates","215492","2020-10-21","18:00:00",""
"1551135","10.27","0.002","4.65","0.0009","11.282","0.002","90","","92.55","0.03","90","","538.24","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0481","0.0448","","","0.1001","0.1026","","","","","","1.196","","","","has coordinates","215493","2020-10-21","18:00:00",""
"1551136","10.276","0.002","4.64","0.0009","11.298","0.002","90","","92.49","0.03","90","","538.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0477","0.0449","","","0.0962","0.0983","","","","","","1.157","","","","has coordinates","215494","2020-10-21","18:00:00",""
"1551137","10.279","0.002","4.633","0.0009","11.311","0.002","90","","92.43","0.03","90","","538.17","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.046","0.0434","","","0.0928","0.0949","","","","","","1.075","","","","has coordinates","215495","2020-10-21","18:00:00",""
"1551138","10.287","0.002","4.615","0.0009","11.348","0.002","90","","92.26","0.03","90","","538.32","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0463","0.0436","","","0.0934","0.0955","","","","","","1.126","","","","has coordinates","215496","2020-10-21","18:00:00",""
"1551139","10.29","0.002","4.611","0.0009","11.357","0.002","90","","92.22","0.03","90","","538.45","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.049","0.0468","","","0.1021","0.1035","","","","","","1.14","","","","has coordinates","215497","2020-10-21","18:00:00",""
"1551140","10.293","0.002","4.603","0.0009","11.372","0.002","90","","92.14","0.03","90","","538.41","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.0528","0.0493","","","0.122","0.1251","","","","","","1.126","","","","has coordinates","215498","2020-10-21","18:00:00",""
"1551141","10.296","0.002","4.599","0.0009","11.38","0.002","90","","92.1","0.03","90","","538.5","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cu O4 -","- C10 H14 Cu O4 -","- C20 H28 Cu2 O8 -","2","0.5","","Anna Worthy; Arnaud Grosjean; Michael C. Pfrunder; Yanan Xu; Cheng Yan; Grant Edwards; Jack K. Clegg; John C. McMurtrie","Atomic resolution of structural changes in elastic crystals of copper(II) acetylacetonate","Nature Chemistry","2018","10","","65","69","10.1038/nchem.2848","","","0.7108","Synchrotron","","0.063","0.0571","","","0.1467","0.1522","","","","","","1.071","","","","has coordinates","215499","2020-10-21","18:00:00",""
"1551294","3.7921","0.0006","3.7921","0.0006","3.7921","0.0006","90","","90","","90","","54.53","0.015","","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 at 100 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 100 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215779","2020-10-21","18:00:00",""
"1551295","3.7922","0.0005","3.7922","0.0005","3.7922","0.0005","90","","90","","90","","54.535","0.012","","","123","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 123 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 123 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215780","2020-10-21","18:00:00",""
"1551296","3.793","0.0004","3.793","0.0004","3.793","0.0004","90","","90","","90","","54.569","0.01","","","173","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 at 173 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 173 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215781","2020-10-21","18:00:00",""
"1551297","3.7946","0.0003","3.7946","0.0003","3.7946","0.0003","90","","90","","90","","54.638","0.007","","","223","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 223 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 223 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215782","2020-10-21","18:00:00",""
"1551298","3.7964","0.0003","3.7964","0.0003","3.7964","0.0003","90","","90","","90","","54.716","0.007","","","273","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 273 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 273 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215783","2020-10-21","18:00:00",""
"1551299","3.7974","0.0003","3.7974","0.0003","3.7974","0.0003","90","","90","","90","","54.759","0.007","","","298","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 298 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 298 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215784","2020-10-21","18:00:00",""
"1551300","3.7988","0.0004","3.7988","0.0004","3.7988","0.0004","90","","90","","90","","54.82","0.01","","","323","","","","","","","","","3","P m -3 m","-P 4 2 3","221","SrGeO3 perovskite at 323 K","","","- Ge O3 Sr -","- Ge O3 Sr -","- Ge O3 Sr -","1","0.0208333","","Nakatsuka, A.; Yoshiasa, A.; Fujiwara, K.; Ohtaka, O.","Variable-temperature single-crystal X-ray diffraction study of SrGeO3 high-pressure perovskite phase Note: T = 323 K","Journal of Mineralogical and Petrological Sciences","2018","113","","280","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","215786","2020-10-21","18:00:00",""
"1551337","22.058","0.008","36.936","0.013","39.49","0.012","91.137","0.015","101.582","0.003","105.808","0.008","30232","18","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C260 H304 N32 O83 P16 -","- C243.5 H249 N32 O83 P16 -","- C974 H996 N128 O332 P64 -","4","2","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.2182","0.1765","","","0.4459","0.4834","","","","","","1.452","","","","has coordinates","215834","2020-10-21","18:00:00",""
"1551338","42.984","0.002","52.9718","0.0014","33.962","0.002","90","","126.304","0.002","90","","62319","5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C259 H311 Cl3 N32 O83 P16 Si -","- C195 H151 Cl3 N32 O83 P16 Si -","- C1560 H1208 Cl24 N256 O664 P128 Si8 -","8","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.3397","0.1574","","","0.3276","0.3615","","","","","","0.971","","","","has coordinates","215835","2020-10-21","18:00:00",""
"1551339","26.415","0.017","28.192","0.014","42.64","0.02","85.65","0.011","75.41","0.02","75.48","0.05","29745","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C508 H592 N64 O163 P32 -","- C454 H427 N64 O163 P32 -","- C908 H854 N128 O326 P64 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","0.81","","","0.2616","0.2081","","","0.4845","0.5207","","","","","","1.691","","","","has coordinates","215836","2020-10-21","18:00:00",""
"1551340","17.006","0.003","20.157","0.004","24.463","0.005","75.85","0.03","69.66","0.03","85.93","0.03","7623","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H168 N16 O39 P8 -","- C140 H168 N16 O39 P8 -","- C280 H336 N32 O78 P16 -","2","1","","Krzysztof Ziach; Celine Chollet; Vincent Parissi; Panchami Prabhakaran; Mathieu Marchivie; Valentina Corvaglia; Partha Pratim Bose; Katta Laxmi-Reddy; Frederic Godde; Jean-Marie Schmitter; Stephane Chaignepain; Philippe Pourquier; Ivan Huc","Single helically folded aromatic oligoamides that mimic the charge surface of double-stranded B-DNA","Nature Chemistry","2018","10","","511","518","10.1038/s41557-018-0018-7","","","1.54178","CuKα","","0.1456","0.1245","","","0.3044","0.3189","","","","","","1.259","","","","has coordinates","215837","2020-10-21","18:00:00",""
"1551341","17.041","0.003","52.198","0.01","14.911","0.003","90","","106.91","0.03","90","","12690","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C127 H128 Cl0 N20 O24 -","- C127 H128 N20 O24 -","- C508 H512 N80 O96 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.2592","0.1297","","","0.2556","0.2888","","","","","","1.311","","","","has coordinates,has disorder","215838","2020-10-21","18:00:00",""
"1551342","27.392","0.006","35.87","0.007","28.337","0.006","90","","90.14","0.03","90","","27842","10","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C238 H226 N40 O44 -","- C238 H226 N40 O44 -","- C952 H904 N160 O176 -","4","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1185","0.1048","","","0.2709","0.28","","","","","","1.757","","","","has coordinates,has disorder","215839","2020-10-21","18:00:00",""
"1551343","29.331","0.004","29.331","0.004","59.183","0.012","90","","90","","120","","44094","12","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C488 H460 Cl12 N80 O88 -","- C463 H383 Cl12 N80 O88 -","- C1389 H1149 Cl36 N240 O264 -","3","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85","","","0.1421","0.1251","","","0.2917","0.2986","","","","","","1.74","","","","has coordinates,has disorder","215840","2020-10-21","18:00:00",""
"1551344","19.1113","0.0013","28.614","0.002","35.75","0.003","71.488","0.002","81.839","0.002","75.011","0.002","17869","2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C256 H246 N44 O46 -","- C256 H246 N44 O46 -","- C512 H492 N88 O92 -","2","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","1.54178","CuKα","","0.1729","0.1089","","","0.2468","0.2663","","","","","","1.058","","","","has coordinates,has disorder","215841","2020-10-21","18:00:00",""
"1551345","18.008","0.004","18.419","0.004","30.513","0.006","78.68","0.03","88.33","0.03","65.83","0.03","9039","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","- C312 H313 Cl24 N44 O50 -","1","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85001","","","0.1212","0.1019","","","0.2438","0.2527","","","","","","1.824","","","","has coordinates,has disorder","215842","2020-10-21","18:00:00",""
"1551346","25.286","0.005","26.901","0.005","27.418","0.006","108.71","0.03","107.77","0.03","109.81","0.03","14718","10","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C112 H104 N18 O21 -","- C112 H104 N18 O21 -","- C448 H416 N72 O84 -","4","4","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.8","","","0.1282","0.1021","","","0.2517","0.2747","","","","","","0.949","","","","has coordinates","215843","2020-10-21","18:00:00",""
"1551362","7.4654","0.0004","8.3783","0.0004","17.0551","0.0008","97.595","0.004","100.424","0.004","90.636","0.004","1039.27","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C48 H40 N8 O8 S4 -","4","2","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","synchrotron","","0.0849","0.0789","","","0.2109","0.217","","","","","","1.028","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1551363","5.8666","0.0002","10.0313","0.0003","13.5015","0.0004","90","","97.082","0.003","90","","788.5","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O4 S2 -","- C18 H12 N2 O4 S2 -","- C36 H24 N4 O8 S4 -","2","0.5","","Xiaoyan Wang; Linjiang Chen; Samantha Y. Chong; Marc A. Little; Yongzhen Wu; Wei-Hong Zhu; Rob Clowes; Yong Yan; Martijn A. Zwijnenburg; Reiner Sebastian Sprick; Andrew I. Cooper","Sulfone-containing covalent organic frameworks for photocatalytic hydrogen evolution from water","Nature Chemistry","2018","10","","1180","1189","10.1038/s41557-018-0141-5","","x-ray","0.6889","Synchrotron","","0.055","0.0496","","","0.1308","0.1353","","","","","","1.034","","","","has coordinates","215881","2020-10-21","18:00:00",""
"1551369","19.8457","0.0004","23.3538","0.0006","27.1601","0.0005","106.247","0.002","106.538","0.002","101.356","0.002","11049.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C144.25 H160 Br0.8 N36.25 O69.5 S2 -","- C288.5 H320 Br1.6 N72.5 O139 S4 -","2","1","","Joseph M. Rogers; Sunbum Kwon; Simon J. Dawson; Pradeep K. Mandal; Hiroaki Suga; Ivan Huc","Ribosomal synthesis and folding of peptide-helical aromatic foldamer hybrids","Nature Chemistry","2018","10","","405","412","10.1038/s41557-018-0007-x","","","1.54184","CuKα","","0.1592","0.1355","","","0.3964","0.4202","","","","","","1.689","","","","has coordinates,has disorder","215887","2020-10-21","18:00:00",""
"1551398","10.5311","0.0001","6.7935","0.0001","10.9017","0.0001","90","","112.687","0.001","90","","719.593","0.015","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0266","0.0266","","","0.0705","0.0706","","","","","","1.045","","","","has coordinates","215927","2020-10-21","18:00:00",""
"1551399","7.1977","0.00006","9.65236","0.00005","18.11426","0.00009","90","","90","","90","","1258.48","0.014","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0824","0.0831","","","","","","1.064","","","","has coordinates","215928","2020-10-21","18:00:00",""
"1551403","13.9006","0.0008","16.113","0.0009","17.2618","0.001","90","","93.095","0.001","90","","3860.7","0.4","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 F6 N5 O8 S2 Zn -","- C29 H29 F6 N5 O8 S2 Zn -","- C116 H116 F24 N20 O32 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0582","0.0457","","","0.1033","0.1099","","","","","","1.0523","","","","has coordinates","215933","2020-10-21","18:00:00",""
"1551404","16.6985","0.0016","12.4092","0.0012","17.7201","0.0017","90","","90","","90","","3671.9","0.6","180.45","","180.45","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C31 H34 F6 N6 O9 S2 Zn -","- C31 H34 F6 N6 O9 S2 Zn -","- C124 H136 F24 N24 O36 S8 Zn4 -","4","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0715","0.0591","","","0.1128","0.1226","","","","","","1.0592","","","","has coordinates,has Fobs","215935","2020-10-21","18:00:00",""
"1551405","10.2291","0.0006","11.3937","0.0006","12.5182","0.0007","93.769","0.002","113.627","0.001","103.02","0.002","1282.25","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","2-({(2-{bis{(pyridin-2-yl)methyl}amino}ethyl){(pyridin-2-yl)methyl]amino]methyl)benzene-1,4-diol methanol solvate","","- C28 H33 N5 O3 -","- C28 H33 N5 O3 -","- C56 H66 N10 O6 -","2","1","","Meghan B. Ward; Andreas Scheitler; Meng Yu; Laura Senft; Annika S. Zillmann; John D. Gorden; Dean D. Schwartz; Ivana Ivanovic-Burmazovic; Christian R. Goldsmith","Superoxide dismutase activity enabled by a redox-active ligand rather than metal","Nature Chemistry","2018","10","","1207","1212","10.1038/s41557-018-0137-1","","","0.71073","MoKα","","0.0677","0.0588","","","0.1218","0.1294","","","","","","1.0795","","","","has coordinates,has Fobs","215936","2020-10-21","18:00:00",""
"1551413","15.0023","0.0014","6.9693","0.0009","17.7197","0.0015","90","","112.945","0.002","90","","1706.1","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H15 N3 O3 Pd -","- C21 H15 N3 O3 Pd -","- C84 H60 N12 O12 Pd4 -","4","2","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0498","0.0461","","","0.1074","0.1095","","","","","","1.044","","","","has coordinates","215951","2020-10-21","18:00:00",""
"1551414","10.5489","0.0015","10.6184","0.0015","19.274","0.002","76.628","0.004","84.772","0.005","81.899","0.005","2075.6","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N6 O10 Pd2 -","- C46 H38 N6 O10 Pd2 -","- C92 H76 N12 O20 Pd4 -","2","1","","Van T. Tran; John A. Gurak Jr; Kin S. Yang; Keary M. Engle","Activation of diverse carbon-heteroatom and carbon-carbon bonds via palladium(ii)-catalysed beta-X elimination","Nature Chemistry","2018","10","","1126","1133","10.1038/s41557-018-0110-z","","x-ray","0.71073","MoKα","","0.0472","0.0307","","","0.0597","0.065","","","","","","1.025","","","","has coordinates","215952","2020-10-21","18:00:00",""
"1551447","21.255","0.0007","5.7151","0.001","18.8051","0.0006","90","","124.093","0.005","90","","1891.7","0.4","150","","150","","","","","","","",".","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 Br4 -","- C20 H10 Br4 -","- C80 H40 Br16 -","4","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0497","0.0493","","0.1224","0.1216","0.1224","","","","","","1.0902","","","","has coordinates,has Fobs","216015","2020-10-21","18:00:00",""
"1551448","12.0069","0.0004","3.9729","0.0002","22.0798","0.0007","90","","100.208","0.003","90","","1036.58","0.07","150","","150","","","","","","","",".","3","P 1 2/c 1","-P 2yc","13","","","","- C24 H10 Br4 -","- C24 H10 Br4 -","- C48 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0525","0.0499","","0.1282","0.1222","0.1282","","","","","","1.0504","","","","has coordinates,has Fobs","216016","2020-10-21","18:00:00",""
"1551449","10.6051","0.0007","4.9313","0.0003","23.4977","0.0016","90","","98.092","0.007","90","","1216.62","0.14","150","","150","","","","","","","",".","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 Br4 -","- C28 H10 Br4 -","- C56 H20 Br8 -","2","0.5","","Niko Pavlicek; Przemyslaw Gawel; Daniel R. Kohn; Zsolt Majzik; Yaoyao Xiong; Gerhard Meyer; Harry L. Anderson; Leo Gross","Polyyne formation via skeletal rearrangement induced by atomic manipulation","Nature Chemistry","2018","10","","853","858","10.1038/s41557-018-0067-y","","","1.54184","CuKα","","0.0734","0.0596","","0.1766","0.1585","0.1761","","","","","","1.1965","","","","has coordinates,has disorder,has Fobs","216017","2020-10-21","18:00:00",""
"1551498","6.90351","0.00004","6.97713","0.00004","10.82548","0.00006","90","","90","","90","","521.428","0.005","","","296","","","","","","","","","5","I m m m","-I 2 2","71","","","CrCl2pyz2","- C8 H16 Cl2 Cr N4 -","- C8 H16 Cl2 Cr N4 -","- C16 H32 Cl4 Cr2 N8 -","2","0.125","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","powder diffraction","x-ray","0.82626","synchrotron","","","","","","","","","","","","","4.9211","","","","has coordinates","216099","2020-10-21","18:00:00",""
"1551499","13.4559","0.0003","15.142","0.0004","23.1601","0.0006","90","","93.2","0.001","90","","4711.5","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C20 H20.5 Cl3 Cr N4 O4.25 -","- C160 H164 Cl24 Cr8 N32 O34 -","8","2","","Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac","Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry","Nature Chemistry","2018","10","","1056","1061","10.1038/s41557-018-0107-7","","x-ray","1.34139","GaKα","","0.0332","0.0317","","","0.0812","0.0825","","","","","","1.074","","","","has coordinates,has disorder","216100","2020-10-21","18:00:00",""
"1551500","47.726","0.005","47.726","0.005","39.415","0.008","90","","90","","120","","77750","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C384 H306 F30 Fe6 N36 O24 P5 -","- C384 F29.9994 Fe6 N36 O24 P4.9999 -","- C2304 F179.996 Fe36 N216 O144 P29.9994 -","6","0.333333","","Liang Zhang; Alexander J. Stephens; Alina L. Nussbaumer; Jean-Francois Lemonnier; Pia Jurcek; Inigo J. Vitorica-Yrezabal; David A. Leigh","Stereoselective synthesis of a composite knot with nine crossings","Nature Chemistry","2018","10","","1083","1088","10.1038/s41557-018-0124-6","","x-ray","0.6889","Synchrotron","","0.343","0.2678","","","0.5742","0.6393","","","","","","2.608","","","","has coordinates,has disorder","216102","2020-10-21","18:00:00",""
"1551547","10.4961","0.0016","14.26","0.002","19.166","0.003","90","","94.512","0.002","90","","2859.8","0.7","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 B2 Cl Fe O5 S5 -","- C58 H70 B2 Cl Fe O5 S5 -","- C116 H140 B4 Cl2 Fe2 O10 S10 -","2","0.5","","YOSHIDA, Kosuke; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Crystal Structure of a Mononuclear Iron(III) Complex, Chloridopentakis(dimethylsulfoxide-κ<i>O</i>)iron(III) Bis(tetraphenylborate)","X-ray Structure Analysis Online","2018","34","0","1","","10.2116/xraystruct.34.1","","","0.71073","MoKα","","0.1749","0.1149","","","0.2605","0.293","","","","","","1.053","","","","has coordinates,has disorder","216157","2020-10-21","18:00:00",""
"1551548","10.9807","0.0015","12.329","0.0017","14.492","0.002","80.004","0.01","74.181","0.008","64.614","0.007","1701.7","0.4","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 Cl Mn2 N3 O7 -","- C37 H32 Cl Mn2 N3 O7 -","- C74 H64 Cl2 Mn4 N6 O14 -","2","1","","SUEMITSU, Yuki; YONEDA, Ko; YAMADA, Yasunori; KOIKAWA, Masayuki","Crystal Structure and Magnetic Properties of an Asymmetrical Dinuclear Mn(III) Complex with <i>N</i>-(2-Oxymethylphenyl)salicylideneimine","X-ray Structure Analysis Online","2018","34","0","29","","10.2116/xraystruct.34.29","","","0.71075","MoKα","","0.0486","0.0376","","","0.0947","0.0999","","","","","","0.985","","","","has coordinates","216158","2020-10-21","18:00:00",""
"1551549","5.4232","0.0004","14.1405","0.0006","7.5318","0.0004","90","","94.198","0.005","90","","576.04","0.06","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","(4-fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone","","- C12 H9 F O S2 -","- C12 H9 F O S2 -","- C24 H18 F2 O2 S4 -","2","1","","NAGARAJU, S.; SRIDHAR, M. A.; SREENATHA, N. R.; PRADEEPA KUMARA, C. S.; SADASHIVA, M. P.","Crystal Structure of (4-Fluorophenyl)(2-(methylthio)thiophen-3-yl)methanone","X-ray Structure Analysis Online","2018","34","0","13","","10.2116/xraystruct.34.13","","","0.71073","MoKα","","0.0363","0.0337","","","0.0806","0.083","","","","","","1.044","","","","has coordinates","216159","2020-10-21","18:00:00",""
"1551550","9.8123","0.0016","11.961","0.002","17.645","0.003","90.007","0.003","90.634","0.003","108.285","0.002","1966.2","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 N4 O16 Pd Ru4 -","- C28 H40 N4 O16 Pd Ru4 -","- C56 H80 N8 O32 Pd2 Ru8 -","2","1","","MIKURIYA, Masahiro; KAWAUCHI, Shun; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; HANDA, Makoto","Crystal Structure of Mixed-metal Complex of Paddle-wheel-type Dinuclear Ruthenium(II,III) Carboxylate and Tetracyanidopalladate(II)","X-ray Structure Analysis Online","2018","34","0","37","","10.2116/xraystruct.34.37","","","0.71073","MoKα","","0.1431","0.0788","","","0.127","0.1499","","","","","","1.077","","","","has coordinates,has disorder","216160","2020-10-21","18:00:00",""
"1551551","9.088","0.006","13.296","0.009","29.2","0.02","90","","95.131","0.013","90","","3514","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Cl3 Cu2 N5 O6 -","- C31 H32 Cl3 Cu2 N5 O6 -","- C124 H128 Cl12 Cu8 N20 O24 -","4","1","","MIKURIYA, Masahiro; SATO, Yuya; YOSHIOKA, Daisuke","μ-Phenolato-μ-acetato-bridged Dinuclear Copper(II) Complex with Dinucleating Schiff-base Ligand Having Three Phenolate Groups","X-ray Structure Analysis Online","2018","34","0","45","","10.2116/xraystruct.34.45","","","0.71073","MoKα","","0.111","0.0512","","","0.1044","0.1282","","","","","","0.977","","","","has coordinates","216161","2020-10-21","18:00:00",""
"1551552","19.168","0.005","13.233","0.003","13.141","0.003","90","","121.662","0.0009","90","","2837.1","1.2","123.1","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko","Crystal Structure of 7-(Diethylamino)-3-(2-oxazolyl)coumarin","X-ray Structure Analysis Online","2018","34","0","3","","10.2116/xraystruct.34.3","","","0.7107","MoKα","","","0.0603","","","","0.1797","","","","","","1.198","","","","has coordinates","216162","2020-10-21","18:00:00",""
"1551553","10.841","0.003","19.161","0.005","20.415","0.005","116.929","0.018","92.97","0.019","101.485","0.013","3655.9","1.8","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H100 B N8 Na Ni4 O14 -","- C62 H100 B N8 Na Ni4 O14 -","- C124 H200 B2 N16 Na2 Ni8 O28 -","2","1","","MOCHIZUKI, Katsura","Pentanuclear Complex Formed between Dinuclear Nickel(II) Complexes and Sodium Ion","X-ray Structure Analysis Online","2018","34","0","25","","10.2116/xraystruct.34.25","","","0.71075","MoKα","","0.0689","0.0464","","","0.1016","0.1207","","","","","","1.07","","","","has coordinates","216163","2020-10-21","18:00:00",""
"1551554","5.8658","0.0003","17.1661","0.001","15.1938","0.0007","90","","103.182","0.004","90","","1489.6","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C64 H56 N8 O20 -","4","1","","KANSIZ, Sevgi; ÇAKMAK, Sükriye; DEGE, Necmi; MERAL, Güngör; KÜTÜK, Halil","Crystal Structure of 3-Acetoxy-2-methyl-<i>N</i>-(4-nitrophenyl)benzamide","X-ray Structure Analysis Online","2018","34","0","17","","10.2116/xraystruct.34.17","","","0.71073","MoKα","","0.0724","0.0457","","","0.0931","0.1025","","","","","","0.922","","","","has coordinates","216164","2020-10-21","18:00:00",""
"1551555","9.2964","0.0009","10.4722","0.001","8.8271","0.0009","90","","112.028","0.001","90","","796.62","0.14","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu N4 O2 -","- C18 H18 Cu N4 O2 -","- C36 H36 Cu2 N8 O4 -","2","0.5","","MITSUHASHI, Ryoji; MIYAZAKI, Yusuke; HOSOYA, Satoshi; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]copper(II)","X-ray Structure Analysis Online","2018","34","0","11","","10.2116/xraystruct.34.11","","","0.71073","MoKα","","0.0386","0.0306","","","0.0803","0.0844","","","","","","1.057","","","","has coordinates","216165","2020-10-21","18:00:00",""
"1551556","6.9988","0.0007","11.4808","0.0011","21.7608","0.0017","90","","90","","90","","1748.5","0.3","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","(2E)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","","RAINA, Ankit; SALIAN, Vinutha V.; NARAYANA, B.; SAROJINI, B. K.; KANT, Rajni","Crystal Structure of (2<i>E</i>)-1-(Anthracen-9-yl)-3-(3-nitrophenyl)prop-2-en-1-one","X-ray Structure Analysis Online","2018","34","0","5","","10.2116/xraystruct.34.5","","","0.71073","MoKα","","0.0831","0.042","","","0.0708","0.086","","","","","","0.991","","","","has coordinates","216166","2020-10-21","18:00:00",""
"1551557","27.741","0.003","9.89","0.002","17.904","0.003","90","","103.47","0.02","90","","4777","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4,6-dimethyl-5-(3-chlorophenyl)-2-{[4-(3,4-dichlorophenyl)-1-piperazinyl]methyl}-pyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione","","- C25 H23 Cl3 N4 O2 -","- C25 H23 Cl3 N4 O2 -","- C200 H184 Cl24 N32 O16 -","8","1","","REDZICKA, Aleksandra; SZCZUKOWSKI, Lukasz; KOCHEL, Andrzej","Crystal Structure of 4,6-Dimethyl-5-(3-chlorophenyl)-2-{[4-(3,4-dichlorophenyl)-1-piperazinyl]methyl}-pyrrolo[3,4-<i>c</i>]pyrrole-1,3(<i>2H,5H</i>)-dione","X-ray Structure Analysis Online","2018","34","0","55","","10.2116/xraystruct.34.55","","","0.71073","MoKα","","0.1149","0.0665","","","0.1568","0.182","","","","","","1.083","","","","has coordinates","216167","2020-10-21","18:00:00",""
"1551558","16.3586","0.0012","12.6022","0.0009","13.0231","0.0009","90","","103.676","0.001","90","","2608.7","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cl2 F6 Fe N5 P -","- C26 H19 Cl2 F6 Fe N5 P -","- C104 H76 Cl8 F24 Fe4 N20 P4 -","4","0.5","","KANEKO, Satoshi; MITSUHASHI, Ryoji; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Crystal Structure of a Mononuclear Iron(III) Complex, Dichloridobis(1,10-phenanthroline-κ<sup>2</sup><i>N,N</i>′)iron(III) Hexafluoridophosphate‒acetonitrile","X-ray Structure Analysis Online","2018","34","0","49","","10.2116/xraystruct.34.49","","","0.71073","MoKα","","0.0406","0.0345","","","0.0925","0.0949","","","","","","1.066","","","","has coordinates,has disorder","216168","2020-10-21","18:00:00",""
"1551559","23.94","0.006","12.007","0.003","23.882","0.006","90","","90.795","0.004","90","","6864","3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 F10 Mg0.5 N2 O -","- C40 H28 F10 Mg0.5 N2 O -","- C320 H224 F80 Mg4 N16 O8 -","8","1","","SAWADA, Takuya; AKASHI, Haruo","Synthesis and Crystal Structure of Bis-tetrahydrofuranate-{(5,10,15,20-(tetrakispentafluorophenyl)porphyrinato)magnesium(II)}","X-ray Structure Analysis Online","2018","34","0","9","","10.2116/xraystruct.34.9","","","0.71075","MoKα","","0.0793","0.0604","","","0.1509","0.1653","","","","","","1.085","","","","has coordinates","216169","2020-10-21","18:00:00",""
"1551560","4.541","0.004","19.523","0.018","10.844","0.009","90","","97.8","0.03","90","","952.5","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","SUGIYAMA, Haruki","Molecular Planarity and Crystal Structures of <i>N</i>-Salicylideneaminopyrazine Derivatives","X-ray Structure Analysis Online","2018","34","0","57","","10.2116/xraystruct.34.57","","","0.71075","MoKα","","0.099","0.0651","","","0.1629","0.1888","","","","","","0.997","","","","has coordinates","216170","2020-10-21","18:00:00",""
"1551561","3.9508","0.0004","10.8449","0.0011","27.627","0.003","90","","90","","90","","1183.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 N3 O -","- C11 H7 Br2 N3 O -","- C44 H28 Br8 N12 O4 -","4","1","","SUGIYAMA, Haruki","Molecular Planarity and Crystal Structures of <i>N</i>-Salicylideneaminopyrazine Derivatives","X-ray Structure Analysis Online","2018","34","0","57","","10.2116/xraystruct.34.57","","","0.71075","MoKα","","0.0604","0.0494","","","0.1111","0.1175","","","","","","0.997","","","","has coordinates","216171","2020-10-21","18:00:00",""
"1551562","7.085","0.0002","12.1656","0.0003","13.2186","0.0004","87.106","0.002","87.83","0.003","77.714","0.003","1111.41","0.06","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Co N5 O4 -","- C21 H20 Cl2 Co N5 O4 -","- C42 H40 Cl4 Co2 N10 O8 -","2","1","","TOYAMA, Mari","Crystal Structure of <i>cis</i>-Bis(2,2′-bipyridyl)dichlorocobalt(III) Nitrate Methanol Solvate","X-ray Structure Analysis Online","2018","34","0","41","","10.2116/xraystruct.34.41","","","1.54187","CuKα","","0.0496","0.0448","","","0.1235","0.1268","","","","","","1.067","","","","has coordinates","216172","2020-10-21","18:00:00",""
"1551563","16.678","0.002","17.492","0.007","8.286","0.004","90","","97.5","0.02","90","","2396.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 F6 N -","- C13 H7 F6 N -","- C104 H56 F48 N8 -","8","2","","GUILLON, Jean; DASSONVILLE-KLIMPT, Alexandra; MOREAU, Stéphane; LAUMAILLE, Pierre; MARCHIVIE, Mathieu; SONNET, Pascal","Crystal Structure of 2,8-Bis(trifluoromethyl)-4-vinylquinoline","X-ray Structure Analysis Online","2018","34","0","15","","10.2116/xraystruct.34.15","","","0.71073","MoKα","","0.2051","0.1043","","","0.1891","0.2207","","","","","","1.215","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1551564","26.016","0.007","15.634","0.004","18.36","0.005","90","","109.073","0.003","90","","7058","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 Cl3 Cu2 N4 O6 -","- C34 H31 Cl3 Cu2 N4 O6 -","- C272 H248 Cl24 Cu16 N32 O48 -","8","1","","MIKURIYA, Masahiro; SATO, Yuya; YOSHIOKA, Daisuke","μ-Phenolato-μ-benzoato-bridged Dinuclear Copper(II) Cluster with a Ferromagnetic Coupling","X-ray Structure Analysis Online","2018","34","0","51","","10.2116/xraystruct.34.51","","","0.71073","MoKα","","0.103","0.0543","","","0.1214","0.1396","","","","","","1.03","","","","has coordinates,has disorder","216174","2020-10-21","18:00:00",""
"1551565","9.2278","0.001","26.069","0.003","10.0068","0.0011","90","","93.261","0.002","90","","2403.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl N12 O Zn2 -","- C19 H21 Cl N12 O Zn2 -","- C76 H84 Cl4 N48 O4 Zn8 -","4","1","","MIKURIYA, Masahiro; SHIBUTANI, Ai; YAMADA, Hitomi; YOSHIOKA, Daisuke","μ-Phenolato-μ-azido-bridged Dinuclear Zinc(II) Complex with a Schiff-base Having Imidazolyl Groups","X-ray Structure Analysis Online","2018","34","0","33","","10.2116/xraystruct.34.33","","","0.71073","MoKα","","0.0553","0.0342","","","0.0827","0.0892","","","","","","1.037","","","","has coordinates,has disorder","216175","2020-10-21","18:00:00",""
"1551566","16.558","0.003","8.9725","0.0013","17.193","0.003","90","","90.192","0.002","90","","2554.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Mo3 N4 O9 S2 -","- C12 H34 Mo3 N4 O9 S2 -","- C48 H136 Mo12 N16 O36 S8 -","4","1","","MIKURIYA, Masahiro; KUSUNOKI, Koji; KOTERA, Takanori; YOSHIOKA, Daisuke; TAKEMURA, Shota; OGASAWARA, Kazuyoshi","Synthesis, Crystal Structure, and Relativistic DV-Xα Calculation of a μ-Oxido-μ-molybdato(VI)-bridged Dinuclear Oxidomolybdenum(V) Complex with 2-(3-Aminopropyl)aminoethanethiol","X-ray Structure Analysis Online","2018","34","0","19","","10.2116/xraystruct.34.19","","","0.71073","MoKα","","0.0448","0.0331","","","0.0727","0.0768","","","","","","1.027","","","","has coordinates","216176","2020-10-21","18:00:00",""
"1551567","13.669","0.006","17.763","0.007","11.013","0.004","90","","108.857","0.016","90","","2530.5","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-bis[N,N’-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane","","- C28 H26 N8 O4 -","- C28 H26 N8 O4 -","- C112 H104 N32 O16 -","4","0.5","","KADIR, Maisara Abdul; YUSOF, M. Sukeri M.; SUMBY, C. J.","Crystal Structure of 1,2-Bis[<i>N,N</i>′-6-(3-pyridylmethylamido)pyridyl-2-carboxyamido]ethane","X-ray Structure Analysis Online","2018","34","0","31","","10.2116/xraystruct.34.31","","","0.71073","MoKα","","0.0514","0.0389","","","0.1245","0.1366","","","","","","1.034","","","","has coordinates","216177","2020-10-21","18:00:00",""
"1551568","5.4","0.002","9.659","0.004","37.485","0.016","92.51","0.02","90.915","0.017","91.484","0.015","1952.3","1.4","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C42 H64 O6 -","- C42 H64 O6 -","- C84 H128 O12 -","2","1","","KUBO, Kanji; KURIBAYASHI, Daiki; ISOBE, Masahiro; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of 5-[4-(Dodecyloxy)benzoyloxy]-2-(hexadecanoyloxy)tropone","X-ray Structure Analysis Online","2018","34","0","27","","10.2116/xraystruct.34.27","","","0.71075","MoKα","","0.1677","0.1059","","","0.1815","0.2152","","","","","","1.099","","","","has coordinates","216178","2020-10-21","18:00:00",""
"1551569","8.253","0.0005","13.153","0.0014","14.157","0.0011","90","","125.579","0.006","90","","1249.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1-(2-hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","","SREENATHA, N. R.; LAKSHMINARAYANA, B. N.; GANESHA, D. P.; VIJAYSHANKAR, S.; NAGARAJU, S.","Crystal Structure and Hirshfeld Surfaces of (<i>E</i>)-1-(2-Hydroxyphenyl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one","X-ray Structure Analysis Online","2018","34","0","23","","10.2116/xraystruct.34.23","","","0.71073","MoKα","","0.0479","0.048","","","0.1621","0.1616","","","","","","1.07","","","","has coordinates","216179","2020-10-21","18:00:00",""
"1551570","12.1206","0.0012","14.9911","0.0014","16.8782","0.0016","106.871","0.001","98.131","0.002","109.68","0.001","2664.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cu F18 Mo3 N4 O15 -","- C38 H28 Cu F18 Mo3 N4 O15 -","- C76 H56 Cu2 F36 Mo6 N8 O30 -","2","1","","HANDA, Makoto; KAMADA, Hiroshi; YOSHIOKA, Daisuke; HIROMITSU, Ichiro; KASUGA, Kuninobu; MIKURIYA, Masahiro","Crystal Structure of a Supramolecular Complex Built up from Molybdenum(II) Trifluoroacetate and Copper(II) Schiff-Base Components, [{CuL<sup>t-Bu</sup>}<sub>2</sub>{Mo<sub>2</sub>(O<sub>2</sub>CCF<sub>3</sub>)<sub>4</sub>}<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub>, H<sub>2</sub>L<sup>t-Bu</sup> = 2,3-bis((5-<i>tert</i>-butyl-2-hydroxybenzylidene)amino)-2,3-butenedinitrile","X-ray Structure Analysis Online","2018","34","0","59","","10.2116/xraystruct.34.59","","","0.71073","MoKα","","0.1105","0.0494","","","0.1026","0.1234","","","","","","0.911","","","","has coordinates,has disorder","216180","2020-10-21","18:00:00",""
"1551571","4.84742","0.00017","10.3753","0.0003","36.4017","0.0018","90","","90","","90","","1830.77","0.12","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N S4 -","- C12 H28 Cl N S4 -","- C48 H112 Cl4 N4 S16 -","4","1","","TOYAMA, Mari; ISONO, Takumi; ICHIYAMA, Atsushi; CHAYAMA, Kenji","Crystal Structure of 9-Aza-3,6,12,15-tetrathiaheptadecane Hydrochloride","X-ray Structure Analysis Online","2018","34","0","7","","10.2116/xraystruct.34.7","","","1.54187","CuKα","","0.0751","0.0706","","","0.1959","0.1982","","","","","","1.104","","","","has coordinates","216181","2020-10-21","18:00:00",""
"1551834","7.95564","0.00014","16.3879","0.0003","26.8668","0.0005","90","","90","","90","","3502.79","0.11","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0436","0.0328","","","0.0539","0.057","","","","","","1.024","","","","has coordinates","216455","2020-10-21","18:00:00",""
"1551835","7.95923","0.00012","16.394","0.0003","26.878","0.0005","90","","90","","90","","3507.14","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0489","0.0361","","","0.0581","0.0623","","","","","","1.024","","","","has coordinates","216456","2020-10-21","18:00:00",""
"1551887","31.466","0.002","18.3593","0.0012","29.875","0.002","90","","126.405","0.0019","90","","13890.4","1.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H74 Br4 N4 O11 -","- C72 H74 Br4 N4 O11 -","- C576 H592 Br32 N32 O88 -","8","1","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.2035","0.1067","","","0.2366","0.2919","","","","","","1.039","","","","has coordinates,has disorder","216529","2020-10-21","18:00:00",""
"1551888","13.1755","0.0003","18.6165","0.0005","21.6086","0.0006","86.0293","0.0018","84.4233","0.0016","85.0168","0.0017","5245.3","0.2","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","- C248 H248 B2 F8 N4 O16 -","1","0.5","","Kelong Zhu; Giorgio Baggi; Stephen J. Loeb","Ring-through-ring molecular shuttling in a saturated [3]rotaxane","Nature Chemistry","2018","10","","625","630","10.1038/s41557-018-0040-9","","","1.54178","CuKα","","0.266","0.1452","","","0.3524","0.4188","","","","","","1.213","","","","has coordinates,has disorder","216530","2020-10-21","18:00:00",""
"1551903","8.368","0.0005","8.3711","0.0005","21.6926","0.0014","90","","93.54","0.005","90","","1516.65","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl2 Fe N4 -","- C14 H8 Cl2 Fe N4 -","- C56 H32 Cl8 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","","","0.0936","0.0919","","","0.2328","0.234","","","","","","1.16","","","","has coordinates,has disorder","216567","2020-10-21","18:00:00",""
"1551904","8.3356","0.0014","8.3352","0.0011","18.758","0.003","90","","96.965","0.013","90","","1293.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Fe N4 -","- C14 H10 Fe N4 -","- C56 H40 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.6889","synchrotron","","0.0871","0.0813","","","0.2198","0.2275","","","","","","1.117","","","","has coordinates,has disorder","216568","2020-10-21","18:00:00",""
"1551905","8.2809","0.0006","8.2718","0.0006","21.798","0.003","90","","92.418","0.008","90","","1491.8","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Fe N4 -","- C16 H12 Fe N4 -","- C64 H48 Fe4 N16 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.097","0.0818","","","0.1957","0.2027","","","","","","1.176","","","","has coordinates,has disorder","216569","2020-10-21","18:00:00",""
"1551906","8.2958","0.0006","8.2991","0.0006","22.299","0.002","90","","92.44","0.008","90","","1533.8","0.2","150.02","0.1","150.02","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H8 Br2 Fe N4 -","- C14 H8 Br2 Fe N4 -","- C56 H32 Br8 Fe4 N16 -","4","1","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.2505","0.2372","","","0.5361","0.5506","","","","","","2.445","","","","has coordinates,has disorder","216570","2020-10-21","18:00:00",""
"1551907","8.2188","0.0019","8.217","0.002","21.481","0.013","90","","97.66","0.04","90","","1437.7","1","149.9","0.3","149.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Fe N6 -","- C14 H8.5 Fe N6 -","- C56 H34 Fe4 N24 -","4","0.5","","J. Lopez-Cabrelles; S. Manas-Valero; I. J. Vitorica-Yrezabal; P. J. Bereciartua; J. A. Rodriguez-Velamazan; J. C. Waerenborgh; B. J. C. Vieira; D. Davidovikj; P. G. Steeneken; H. S. J. van der Zant; G. Minguez Espallargas; E. Coronado","Isoreticular two-dimensional magnetic coordination polymers prepared through pre-synthetic ligand functionalization","Nature Chemistry","2018","10","","1001","1007","10.1038/s41557-018-0113-9","","x-ray","0.71073","MoKα","","0.1986","0.1772","","","0.411","0.4268","","","","","","1.158","","","","has coordinates,has disorder","216571","2020-10-21","18:00:00",""
"1551909","18.5676","0.0012","18.5676","0.0012","6.8056","0.0006","90","","90","","120","","2031.9","0.3","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C10 H11.33 Cu O6.67 -","- C10 H9 Cu O6.66467 -","- C60 H54 Cu6 O39.988 -","6","0.5","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.0478","0.0367","","","0.0973","0.1033","","","","","","1.061","","","","has coordinates","216574","2020-10-21","18:00:00",""
"1551910","33.028","0.003","33.028","0.003","5.2047","0.0006","90","","90","","120","","4916.9","0.8","300","2","300","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- C10 H8 Cu O5 -","- C10 H8 Cu O5 -","- C180 H144 Cu18 O90 -","18","3","","Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris","Hydrolytic stability in hemilabile metal-organic frameworks","Nature Chemistry","2018","10","","1096","1102","10.1038/s41557-018-0104-x","","","0.7749","synchrotron","","0.1685","0.1515","","","0.3291","0.341","","","","","","1.104","","","","has coordinates,has disorder","216575","2020-10-21","18:00:00",""
"1551911","15.215","0.002","11.5219","0.0018","29.439","0.005","90","","90","","90","","5160.8","1.4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H33 F3 Ir N O -","- C28 H33 F3 Ir N O -","- C224 H264 F24 Ir8 N8 O8 -","8","1","","Kwangmin Shin; Yoonsu Park; Mu-Hyun Baik; Sukbok Chang","Iridium-catalysed arylation of C-H bonds enabled by oxidatively induced reductive elimination","Nature Chemistry","2018","10","","218","224","10.1038/nchem.2900","","","0.71073","MoKα","","0.0334","0.0224","","","0.0452","0.0492","","","","","","1.116","","","","has coordinates","216576","2020-10-21","18:00:00",""
"1551924","20.0122","0.0015","9.8352","0.0007","7.4416","0.0006","90","","90.639","0.005","90","","1464.59","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O3 W -","- C15 H10 F3 N O3 W -","- C60 H40 F12 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0825","0.072","","","0.1781","0.1859","","","","","","1.138","","","","has coordinates","216653","2020-10-21","18:00:00",""
"1551925","11.8215","0.0005","6.2202","0.0002","19.1297","0.0008","90","","92.475","0.002","90","","1405.33","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O3 W -","- C15 H13 N O3 W -","- C60 H52 N4 O12 W4 -","4","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0334","0.0271","","","0.0572","0.0591","","","","","","1.09","","","","has coordinates","216654","2020-10-21","18:00:00",""
"1551926","8.2435","0.0003","8.3778","0.0002","11.8392","0.0004","103.606","0.001","98.72","0.002","108.776","0.001","729.09","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O4 W -","- C15 H13 N O4 W -","- C30 H26 N2 O8 W2 -","2","1","","Tianfei Liu; Meiyuan Guo; Andreas Orthaber; Reiner Lomoth; Marcus Lundberg; Sascha Ott; Leif Hammarstrom","Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions","Nature Chemistry","2018","10","","881","887","10.1038/s41557-018-0076-x","","","0.71073","MoKα","","0.0249","0.022","","","0.0507","0.052","","","","","","1.121","","","","has coordinates","216655","2020-10-21","18:00:00",""
"1552025","19.8738","0.0016","19.8738","0.0016","19.8738","0.0016","90","","90","","90","","7849.5","1.1","100","2","100.15","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C86 H123 K N2 O10 U -","- C86.0001 H123 K N2 O10 U -","- C344 H492.001 K4 N8 O40 U4 -","4","0.333333","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0389","0.0336","","","0.0721","0.0737","","","","","","1.081","","","","has coordinates,has disorder","216834","2020-10-21","18:00:00",""
"1552026","15.4665","0.0005","18.133","0.0007","19.847","0.0007","90","","92.049","0.003","90","","5562.6","0.3","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H86 N3 O3 U -","- C67 H86 N3 O3 U -","- C268 H344 N12 O12 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0338","0.0228","","","0.0472","0.0506","","","","","","1.031","","","","has coordinates","216835","2020-10-21","18:00:00",""
"1552027","41.761","0.002","15.8422","0.0006","24.5005","0.0015","90","","124.439","0.003","90","","13368.2","1.3","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H107 O8 U -","- C79 H107 O8 U -","- C632 H856 O64 U8 -","8","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0373","0.026","","","0.0608","0.0655","","","","","","1.05","","","","has coordinates,has disorder","216836","2020-10-21","18:00:00",""
"1552028","11.36","0.002","25.522","0.005","22.856","0.004","90","","97.314","0.003","90","","6573","2","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H105 N3 O7 Si U -","- C70 H105 N3 O7 Si U -","- C280 H420 N12 O28 Si4 U4 -","4","1","","Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer","The role of uranium-arene bonding in H2O reduction catalysis","Nature Chemistry","2018","10","","259","267","10.1038/nchem.2899","","","0.71073","MoKα","","0.0343","0.0267","","","0.0655","0.0689","","","","","","1.066","","","","has coordinates,has disorder","216837","2020-10-21","18:00:00",""
"1552781","10.0109","0.0004","20.861","0.0008","20.4255","0.0008","90","","92.176","0.002","90","","4262.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 Co6 O16 P2 -","- C40 H20 Co6 O16 P2 -","- C160 H80 Co24 O64 P8 -","4","1","","Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.","Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species.","The journal of physical chemistry. A","2018","122","22","5004","5015","10.1021/acs.jpca.8b02690","","x-ray","0.71073","MoKα","","0.094","0.032","","","0.0701","0.041","","","","","","1.14","","","","has coordinates","227413","2020-10-21","18:00:00",""
"1552782","10.01803","0.00006","20.87369","0.00009","20.43821","0.00009","90","","92.1609","0.0004","90","","4270.86","0.04","109.99","0.14","109.99","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H20 Co6 O16 P2 -","- C40 H20 Co6 O16 P2 -","- C160 H80 Co24 O64 P8 -","4","1","","Racioppi, S.; Della Pergola, R.; Colombo, V.; Sironi, A.; Macchi, P.","Electron Density Analysis of Metal Clusters with Semi-Interstitial Main Group Atoms. Chemical Bonding in [Co<sub>6</sub>X(CO)<sub>16</sub>]<sup>-</sup> Species.","The journal of physical chemistry. A","2018","122","22","5004","5015","10.1021/acs.jpca.8b02690","","x-ray","0.71073","MoKα","","0.045","0.022","","","0.0678","0.05","","","","","","1.25","","","","has coordinates","227414","2020-10-21","18:00:00",""
"1552783","11.5859","0.0003","20.1144","0.0004","18.9328","0.0004","90","","95.818","0.001","90","","4389.44","0.17","123","2","123.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C54 H54 O6 -","- C54 H54 O6 -","- C216 H216 O24 -","4","2","","Kosaka, Tomoyo; Iwai, Satono; Inoue, Yoshihisa; Moriuchi, Toshiyuki; Mori, Tadashi","Solvent and Temperature Effects on Dynamics and Chiroptical Properties of Propeller Chirality and Toroidal Interaction of Hexaarylbenzenes.","The journal of physical chemistry. A","2018","122","37","7455","7463","10.1021/acs.jpca.8b06535","","x-ray","1.54187","CuKα","","0.0558","0.0479","","","0.1312","0.1418","","","","","","1.01","","","","has coordinates","227415","2020-10-21","18:00:00",""
"1552784","13.3441","0.0013","14.6101","0.0009","20.1415","0.0019","90","","90","","90","","3926.8","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H50 Cl12 Cu6 N6 O -","- C18 H50 Cl12 Cu6 N6 O -","- C72 H200 Cl48 Cu24 N24 O4 -","4","1","","Latouche, Camille; Gautier, Romain; Génois, Romain; Massuyeau, Florian","Structural and Spectroscopic Investigations of Two [Cu<sub>4</sub>X<sub>6</sub>]<sup>2-</sup> (X = Cl<sup>-</sup>, Br<sup>-</sup>) Clusters: A Joint Theoretical and Experimental Work.","The journal of physical chemistry. A","2018","122","19","4628","4634","10.1021/acs.jpca.8b02663","","x-ray","0.71073","MoKα","","0.1038","0.0499","","","0.0824","0.098","","","","","","1.024","","","","has coordinates","227416","2020-10-21","18:00:00",""
"1552785","6.7338","0.0001","6.9787","0.0002","13.2786","0.0002","90","","94.6091","0.0013","90","","621.99","0.02","20","0.1","20","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis-ammonium 2,2'-dinitramino-5,5'-bis(1-oxa-3,4-diazolate) dihydrate","","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","- C8 H24 N20 O16 -","2","0.5","","Tidey, Jeremiah P.; Zhurov, Vladimir V.; Gianopoulos, Christopher G.; Hermann, Tobias S.; Pinkerton, A. Alan","QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido-oxadiazolate) Energetic Ionic Salt at 20 K.","The journal of physical chemistry. A","2018","122","50","9676","9687","10.1021/acs.jpca.8b10065","","","0.71073","MoKα","","0.0094","0.0094","","","","0.0067","0.0109","","","","","1.3807","","","","has coordinates","227417","2020-10-21","18:00:00",""
"1552786","10.0815","0.0012","10.1807","0.0012","13.4349","0.0016","70.5601","0.0016","68.6395","0.0016","79.8573","0.0017","1208.6","0.2","180","2","180","2","","","","","","","","2","P -1","-P 1","2","C60.4tetrachloroethene","","","- C68 Cl16 -","- C68 Cl16 -","- C68 Cl16 -","1","0.5","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0698","0.0606","","","0.1565","0.164","","","","","","1.039","","","","has coordinates,has disorder","227418","2020-10-21","18:00:00",""
"1552787","10.093","0.002","10.189","0.002","13.214","0.003","102.27","0.03","111.08","0.03","100.52","0.03","1187.9","0.6","110","2","110","2","","","","","","","","2","P -1","-P 1","2","C60.4tetrachloroethene","","","- C68 Cl16 -","- C68 Cl16 -","- C68 Cl16 -","1","0.5","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.052","0.0474","","","0.1332","0.1381","","","","","","1.065","","","","has coordinates","227419","2020-10-21","18:00:00",""
"1552788","10.1582","0.0016","19.167","0.003","19.192","0.003","110.978","0.002","102.503","0.002","102.42","0.002","3226.1","0.9","90","2","90","2","","","","","","","","3","P -1","-P 1","2","[60]fullerene chlorobenzene solvate","","","- C66 H5 Cl -","- C66 H5 Cl -","- C264 H20 Cl4 -","4","2","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71069","MoKα","","0.0517","0.0474","","","0.1194","0.1231","","","","","","1.019","","","","has coordinates,has disorder","227420","2020-10-21","18:00:00",""
"1552789","9.974","0.003","31.629","0.009","10.014","0.003","90","","90.149","0.004","90","","3159.1","1.6","90","2","90","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C65 H12 -","- C65 H12 -","- C260 H48 -","4","1","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0466","0.0444","","","0.1199","0.1216","","","","","","1.24","","","","has coordinates","227421","2020-10-21","18:00:00",""
"1552790","13.5271","0.0019","9.9838","0.0014","16.017","0.002","90","","109.108","0.002","90","","2043.9","0.5","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","C60 . 3 C6H6","","","- C78 H18 -","- C78 H18 -","- C156 H36 -","2","0.5","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0599","0.0486","","","0.1183","0.1254","","","","","","1.045","","","","has coordinates,has disorder","227422","2020-10-21","18:00:00",""
"1552791","9.948","0.002","31.536","0.007","9.988","0.002","90","","90.035","0.003","90","","3133.4","1.1","90","2","90","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C64 H10 O -","- C64 H10 O -","- C256 H40 O4 -","4","1","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0344","0.0342","","","0.0843","0.0847","","","","","","1.072","","","","has coordinates","227423","2020-10-21","18:00:00",""
"1552792","16.0981","0.0012","11.4891","0.0009","10.2043","0.0008","90","","102.026","0.0011","90","","1845.9","0.2","90","2","90","2","","","","","","","","2","C 1 2/m 1","-C 2y","12","C60.2tetrachloroethene","","","- C64 Cl8 -","- C64 Cl8 -","- C128 Cl16 -","2","0.25","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0423","0.0384","","","0.1086","0.1117","","","","","","1.04","","","","has coordinates","227424","2020-10-21","18:00:00",""
"1552793","20.8431","0.0008","17.181","0.0007","9.9614","0.0004","90","","107.503","0.002","90","","3402.1","0.2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C60.benzene.dichloromethane","","","- C67 H8 Cl2 -","- C67 H8 Cl2 -","- C268 H32 Cl8 -","4","0.5","","Chancellor, Christopher J.; Bowles, Faye L.; Franco, Jimmy U.; Pham, David M.; Rivera, Melissa; Sarina, Evan A.; Ghiassi, Kamran B.; Balch, Alan L.; Olmstead, Marilyn M.","Single-Crystal X-ray Diffraction Studies of Solvated Crystals of C<sub>60</sub> Reveal the Intermolecular Interactions between the Component Molecules.","The journal of physical chemistry. A","2018","122","50","9626","9636","10.1021/acs.jpca.8b08740","","","0.71073","MoKα","","0.0731","0.0581","","","0.1486","0.1576","","","","","","1.031","","","","has coordinates,has disorder","227425","2020-10-21","18:00:00",""
"1552794","9.8681","0.0014","17.5","0.002","12.2922","0.0012","90","","102.706","0.011","90","","2070.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H32 N2 O5 -","- C17 H32 N2 O5 -","- C68 H128 N8 O20 -","4","2","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.0462","0.0387","","","0.0895","0.0917","","","","","","1.01","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552795","10.3122","0.001","10.9803","0.0019","16.8121","0.0019","90","","106.622","0.011","90","","1824.1","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H62 N4 O8 -","- C32 H62 N4 O8 -","- C64 H124 N8 O16 -","2","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.1827","0.0972","","","0.1744","0.2354","","","","","","1.02","","","","has coordinates","227427","2020-10-21","18:00:00",""
"1552796","5.2149","0.0006","15.0953","0.0011","27.017","0.003","90","","90","","90","","2126.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 N2 O5 -","- C19 H36 N2 O5 -","- C76 H144 N8 O20 -","4","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.1512","0.0945","","","0.1555","0.1878","","","","","","1.077","","","","has coordinates,has disorder","227428","2020-10-21","18:00:00",""
"1552797","10.2236","0.0011","12.3246","0.001","12.3403","0.0014","90","","109.388","0.012","90","","1466.7","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H47 N3 O6 -","- C25 H47 N3 O6 -","- C50 H94 N6 O12 -","2","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.106","0.0714","","","0.1287","0.1443","","","","","","0.999","","","","has coordinates","227429","2020-10-21","18:00:00",""
"1552798","9.4237","0.0001","15.9868","0.0002","17.3878","0.0002","90","","90","","90","","2619.56","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N3 O6 -","- C23 H43 N3 O6 -","- C92 H172 N12 O24 -","4","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.0511","0.0359","","","0.0566","0.0602","","","","","","0.967","","","","has coordinates","227430","2020-10-21","18:00:00",""
"1552799","3.8354","0.0005","9.2168","0.0012","9.8872","0.0013","104.868","0.003","96.052","0.003","96.718","0.003","332.14","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H5 N3 -","- C8 H5 N3 -","- C16 H10 N6 -","2","1","","Tu, Ting-Husn; Chen, Yi-Ting; Shen, Jiun-Yi; Lin, Ta-Chun; Chou, Pi-Tai","Excited-State Proton Transfer in 3-Cyano-7-azaindole: From Aqueous Solution to Ice.","The journal of physical chemistry. A","2018","122","9","2479","2484","10.1021/acs.jpca.8b00379","","","0.71073","MoKα","","0.0491","0.0427","","","0.1098","0.1146","","","","","","1.057","","","","has coordinates","227431","2020-10-21","18:00:00",""
"1552800","12.6209","0.0008","10.7943","0.0007","12.6367","0.0008","90","","113.005","0.0009","90","","1584.63","0.18","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 B2 N O4 -","- C17 H15 B2 N O4 -","- C68 H60 B8 N4 O16 -","4","1","","Jarzembska, Katarzyna N.; Kamiński, Radosław; Durka, Krzysztof; Woźniak, Krzysztof","Ground-State Charge-Density Distribution in a Crystal of the Luminescent ortho-Phenylenediboronic Acid Complex with 8-Hydroxyquinoline.","The journal of physical chemistry. A","2018","122","18","4508","4520","10.1021/acs.jpca.8b00832","","x-ray","0.71073","MoKα","","0.0375","0.0203","","","0.0453","0.0453","","","","","","0.951","","","","has coordinates,has disorder","227433","2020-10-21","18:00:00",""
"1552801","12.8697","0.0007","9.3437","0.0005","12.2616","0.0006","90","","112.405","0.0006","90","","1363.16","0.12","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0443","0.0381","","","0.1107","0.1235","","","","","","1.071","","","","has coordinates","227434","2020-10-21","18:00:00",""
"1552802","11.6708","0.0005","11.9674","0.0005","8.2434","0.0004","90","","90.678","0.003","90","","1151.27","0.09","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O2 -","- C14 H10.911 N3 O2 -","- C56 H43.644 N12 O8 -","4","1","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0659","0.0464","","","0.0835","0.0882","","","","","","1.311","","","","has coordinates,has disorder","227435","2020-10-21","18:00:00",""
"1552803","13.2955","0.0007","13.5219","0.0007","16.0082","0.0009","88.6723","0.0007","77.3876","0.0007","86.5291","0.0007","2803.2","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C128 H128 N32 O8 -","8","4","","Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei","Fluorescence of Hydroxyphenyl-Substituted ""Click"" Triazoles.","The journal of physical chemistry. A","2018","122","11","2956","2973","10.1021/acs.jpca.8b00577","","","0.71073","MoKα","","0.0497","0.0396","","","0.091","0.0966","","","","","","1.001","","","","has coordinates","227436","2020-10-21","18:00:00",""
"1552814","5.5012","0.0004","7.6825","0.0006","38.85","0.0017","88.875","0.005","89.662","0.005","72.188","0.006","1562.91","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H50 Br2 O S2 -","- C31 H50 Br2 O S2 -","- C62 H100 Br4 O2 S4 -","2","1","","Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang","Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions","Macromolecules","2018","51","10","3874","","10.1021/acs.macromol.8b00161","","x-ray","1.54184","CuKα","","0.1309","0.0915","","","0.1863","0.2049","","","","","","1.334","","","","has coordinates","227450","2020-10-21","18:00:00",""
"1552815","8.322","0.0005","9.7826","0.0005","14.7863","0.0008","92.707","0.002","102.005","0.003","114.698","0.002","1057.47","0.1","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Br2 O3 S2 -","- C19 H24 Br2 O3 S2 -","- C38 H48 Br4 O6 S4 -","2","1","","Chen, Jianhua; Liao, Qiaogan; Wang, Gang; Yan, Zhenglong; Wang, Hang; Wang, Yulun; Zhang, Xianhe; Tang, Yumin; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang","Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions","Macromolecules","2018","51","10","3874","","10.1021/acs.macromol.8b00161","","x-ray","1.54178","CuKα","","0.0426","0.0332","","","0.0778","0.0824","","","","","","1.077","","","","has coordinates","227452","2020-10-21","18:00:00",""
"1552816","14.1209","0.0016","17.852","0.002","15.2027","0.0015","90","","107.823","0.012","90","","3648.5","0.7","159.9","","159.9","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 F12 N4 O4 S6 Zn2 -","- C72 H76 F12 N4 O4 S6 Zn2 -","- C144 H152 F24 N8 O8 S12 Zn4 -","2","0.5","","Zhang, Yao-Yao; Yang, Guan-Wen; Wu, Guang-Peng","A Bifunctional β-Diiminate Zinc Catalyst with CO2/Epoxides Copolymerization and RAFT Polymerization Capacities for Versatile Block Copolymers Construction","Macromolecules","2018","51","10","3640","","10.1021/acs.macromol.8b00576","","","0.71073","MoKα","","0.1007","0.0834","","","0.2103","0.2224","","","","","","1.1","","","","has coordinates","227453","2020-10-21","18:00:00",""
"1552817","12.1018","0.0002","12.1188","0.0002","12.3413","0.0003","79.358","0.002","68.593","0.002","84.171","0.002","1654.96","0.06","158.54","0.1","158.54","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H33 Cl3 N2 O6 Pd -","- C32 H33 Cl3 N2 O6 Pd -","- C64 H66 Cl6 N4 O12 Pd2 -","2","1","","Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing","Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts","Macromolecules","2018","51","22","9110","","10.1021/acs.macromol.8b01786","","x-ray","1.54184","CuKα","","0.0496","0.0471","","","0.1263","0.1296","","","","","","1.054","","","","has coordinates,has disorder","227454","2020-10-21","18:00:00",""
"1552818","12.3985","0.0002","20.1081","0.0005","13.8378","0.0003","90","","92.7312","0.0018","90","","3445.99","0.13","150.08","0.1","150.08","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 Cl3 N2 O6 Pd -","- C36 H37 Cl3 N2 O6 Pd -","- C144 H148 Cl12 N8 O24 Pd4 -","4","1","","Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing","Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts","Macromolecules","2018","51","22","9110","","10.1021/acs.macromol.8b01786","","x-ray","1.54184","CuKα","","0.0415","0.036","","","0.0909","0.0954","","","","","","1.024","","","","has coordinates","227455","2020-10-21","18:00:00",""
"1552819","11.3673","0.0004","12.5081","0.0004","20.9652","0.0007","90","","103.048","0.003","90","","2903.94","0.17","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl N2 O4 Pd -","- C33 H31 Cl N2 O4 Pd -","- C132 H124 Cl4 N8 O16 Pd4 -","4","1","","Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing","Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts","Macromolecules","2018","51","22","9110","","10.1021/acs.macromol.8b01786","","","0.71073","MoKα","","0.0424","0.0318","","","0.0687","0.0741","","","","","","1.07","","","","has coordinates","227456","2020-10-21","18:00:00",""
"1552820","9.908","0.0007","22.0742","0.0018","15.5558","0.0014","90","","99.976","0.003","90","","3350.8","0.5","150","0.02","150","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl5 N2 O2 Pd -","- C33 H31 Cl5 N2 O2 Pd -","- C132 H124 Cl20 N8 O8 Pd4 -","4","1","","Xiao, Zefan; Zheng, Handou; Du, Cheng; Zhong, Liu; Liao, Heng; Gao, Jie; Gao, Haiyang; Wu, Qing","Enhancement on Alternating Copolymerization of Carbon Monoxide and Styrene by Dibenzobarrelene-Based α-Diimine Palladium Catalysts","Macromolecules","2018","51","22","9110","","10.1021/acs.macromol.8b01786","","","0.71075","MoKα","","0.071","0.0585","","","0.1792","0.1912","","","","","","0.941","","","","has coordinates","227457","2020-10-21","18:00:00",""
"1552821","12.787","0.0006","23.4658","0.0009","23.0659","0.001","90","","96.736","0.003","90","","6873.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76.5 H87 Cl3 N8 -","- C76.499 H86.998 Cl2.998 N8 -","- C305.996 H347.992 Cl11.992 N32 -","4","1","","Gallagher, Nolan M.; Zhukhovitskiy, Aleksandr V.; Nguyen, Hung V.-T.; Johnson, Jeremiah A.","Main-Chain Zwitterionic Supramolecular Polymers Derived fromN-Heterocyclic Carbene‒Carbodiimide (NHC‒CDI) Adducts","Macromolecules","2018","51","8","3006","","10.1021/acs.macromol.8b00579","","","1.54178","CuKα","","0.0969","0.0854","","","0.2445","0.2549","","","","","","1.064","","","","has coordinates,has disorder","227458","2020-10-21","18:00:00",""
"1552822","25.8909","0.0004","25.8909","0.0004","59.13","0.004","90","","90","","90","","39637","3","173.01","0.1","173.01","0.1","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C178 H264 Cl8 O26 Y4 -","- C178 H264 Cl8 O26 Y4 -","- C1424 H2112 Cl64 O208 Y32 -","8","0.5","","Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai","ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide","Macromolecules","2018","51","17","6800","","10.1021/acs.macromol.8b01229","","","0.71","MoKα","","0.0859","0.0539","","","0.1214","0.1419","","","","","","1.061","","","","has coordinates","227459","2020-10-21","18:00:00",""
"1552823","23.2","0.003","23.2","0.003","36.173","0.005","90","","90","","120","","16861","4","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C93 H126 O9 Y2 -","- C93 H126 O9 Y2 -","- C558 H756 O54 Y12 -","6","0.166667","","Chen, Changjuan; Bai, Zhiyong; Cui, Yaqin; Cong, Yong; Pan, Xiaobo; Wu, Jincai","ppm-Level Thermally Switchable Yttrium Phenoxide Catalysts for Moisture-Insensitive and Controllably Immortal Polymerization of rac-Lactide","Macromolecules","2018","51","17","6800","","10.1021/acs.macromol.8b01229","","","1.54178","CuKα","","0.0664","0.0632","","","0.1575","0.1603","","","","","","1.058","","","","has coordinates,has disorder","227460","2020-10-21","18:00:00",""
"1552824","10.4643","0.0004","11.3341","0.0004","12.5841","0.0004","86.455","0.001","89.203","0.001","89.375","0.001","1489.44","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H43 Lu N2 Si3 -","- C22 H43 Lu N2 Si3 -","- C44 H86 Lu2 N4 Si6 -","2","1","","Yan, Chao; Xu, Tie-Qi; Lu, Xiao-Bing","From Stereochemically Tunable Homopolymers to Stereomultiblock Copolymers: Lewis Base Regulates Stereochemistry in the Coordination Polymerization of 2-Vinylpyridine","Macromolecules","2018","51","6","2240","","10.1021/acs.macromol.8b00125","","","0.71073","MoKα","","0.0611","0.0397","","","0.0647","0.0703","","","","","","1.018","","","","has coordinates","227461","2020-10-21","18:00:00",""
"1552825","35.279","0.005","12.2498","0.0016","12.5944","0.0016","90","","94.96","0.002","90","","5422.4","1.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H38 Cl4 N2 O4 -","- C62 H38 Cl4 N2 O4 -","- C248 H152 Cl16 N8 O16 -","4","1","","Wang, Zhen; Yan, Sen; Cui, Huang-Chen; Cheng, Guang; Ma, Hui; Zhang, Qing-Mei; Zhang, Qing-Pu; Liu, Jun-Min; Tan, Bien; Zhang, Chun","Porous Organic Polymer from Aggregation-Induced Emission Macrocycle for White-Light Emission","Macromolecules","2018","51","19","7863","","10.1021/acs.macromol.8b01632","","","0.71073","MoKα","","0.06","0.0437","","","0.1216","0.1302","","","","","","1.059","","","","has coordinates","227462","2020-10-21","18:00:00",""
"1552826","7.084","0.012","12.892","0.012","18.3","0.02","90","","96.39","0.05","90","","1661","4","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 I N3 O2 -","- C15 H18 I N3 O2 -","- C60 H72 I4 N12 O8 -","4","1","","Kim, Kyung-su; Cho, Hye Jin; Lee, Jookyeong; Ha, Seonggyun; Song, Sun Gu; Kim, Seunghun; Yun, Wan Soo; Kim, Seong Kyu; Huh, Joonsuk; Song, Changsik","Dynamic Covalent Hydrazone Supramolecular Polymers toward Multiresponsive Self-Assembled Nanowire System","Macromolecules","2018","51","20","8278","","10.1021/acs.macromol.8b01909","","","0.71073","MoKα","","0.0478","0.0396","","","0.0919","0.0958","","","","","","1.135","","","","has coordinates","227463","2020-10-21","18:00:00",""
"1552827","15.801","0.002","13.9759","0.0018","19.829","0.003","90","","97.419","0.003","90","","4342.2","1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Mg N3 O2 Si2 -","- C47 H57 Mg N3 O2 Si2 -","- C188 H228 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.1123","0.052","","","0.1023","0.1285","","","","","","1.003","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552828","11.371","0.004","19.871","0.007","20.675","0.007","90","","90","","90","","4672","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H57 Mg N3 O2 Si2 -","- C51 H57 Mg N3 O2 Si2 -","- C204 H228 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.1367","0.0538","","","0.0969","0.1251","","","","","","0.985","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552829","22.132","0.005","11.214","0.003","19.876","0.005","90","","98.636","0.004","90","","4877","2","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53.5 H61 Mg N3 O2 Si2 -","- C53.5 H61 Mg N3 O2 Si2 -","- C214 H244 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.2477","0.0751","","","0.1181","0.1824","","","","","","0.907","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552830","22.162","0.003","11.233","0.0013","19.873","0.003","90","","98.551","0.005","90","","4892.3","1.1","130","","130","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53.5 H61 Mg N3 O2 Si2 -","- C53.5 H61 Mg N3 O2 Si2 -","- C214 H244 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.1342","0.0497","","","0.0805","0.1039","","","","","","0.941","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552831","14.961","0.003","16.55","0.003","21.063","0.004","101.77","0.03","92.13","0.03","103.45","0.03","4946","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H140.42 N11 O20 -","- C97.002 H140.424 N11 O20 -","- C194.004 H280.848 N22 O40 -","2","1","","Xia, Danyu; Wang, Liyun; Lv, Xiaoqing; Chao, Jianbin; Wei, Xuehong; Wang, Pi","Dual-Responsive [2]Pseudorotaxane On the basis of a pH-Sensitive Pillar[5]arene and Its Application in the Fabrication of Metallosupramolecular Polypseudorotaxane","Macromolecules","2018","51","7","2716","","10.1021/acs.macromol.8b00354","","","0.71073","MoKα","","0.1059","0.0714","","","0.2069","0.2437","","","","","","1.088","","","","has coordinates,has disorder","227465","2020-10-21","18:00:00",""
"1552832","14.877","0.008","12.227","0.007","21.508","0.009","90","","105.131","0.007","90","","3777","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 O2 S4 -","- C40 H50 O2 S4 -","- C160 H200 O8 S16 -","4","1","","McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.","Effects of Side-Chain Topology on Aggregation of Conjugated Polymers","Macromolecules","2018","51","7","2580","","10.1021/acs.macromol.8b00176","","","0.71073","MoKα","","0.3521","0.1392","","","0.3096","0.3677","","","","","","1.036","","","","has coordinates","227466","2020-10-21","18:00:00",""
"1552833","7.5527","0.0017","9.651","0.003","13.308","0.003","90","","101.931","0.007","90","","949.1","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 O2 S2 -","- C20 H26 O2 S2 -","- C40 H52 O4 S4 -","2","0.5","","McDearmon, Brenden; Lim, Eunhee; Lee, In-Hwan; Kozycz, Lisa M.; O’Hara, Kathryn; Robledo, P. Isaac; Venkatesan, Naveen R.; Chabinyc, Michael L.; Hawker, Craig J.","Effects of Side-Chain Topology on Aggregation of Conjugated Polymers","Macromolecules","2018","51","7","2580","","10.1021/acs.macromol.8b00176","","","0.71073","MoKα","","0.0538","0.0491","","","0.1173","0.1206","","","","","","1.06","","","","has coordinates","227467","2020-10-21","18:00:00",""
"1552834","9.879","0.0012","12.3423","0.0014","15.4553","0.0017","104.703","0.005","101.12","0.005","112.177","0.004","1597.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H39 P -","- C42 H39 P -","- C84 H78 P2 -","2","1","","Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.","An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2","Macromolecules","2018","51","7","2621","","10.1021/acs.macromol.8b00100","","x-ray","0.71073","MoKα","","0.0886","0.0576","","","0.1287","0.1446","","","","","","1.062","","","","has coordinates","227468","2020-10-21","18:00:00",""
"1552835","12.623","0.007","15.369","0.01","16.556","0.01","90","","102.684","0.014","90","","3134","3","90","2","90.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H37 P -","- C41 H37 P -","- C164 H148 P4 -","4","1","","Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.","An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2","Macromolecules","2018","51","7","2621","","10.1021/acs.macromol.8b00100","","x-ray","0.71073","MoKα","","0.0608","0.0459","","","0.116","0.1269","","","","","","1.025","","","","has coordinates","227468","2020-10-21","18:00:00",""
"1552836","8.3044","0.0014","9.337","0.0015","9.3521","0.0016","73.731","0.003","85.809","0.003","80.334","0.003","686","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 Br2 -","- C16 H12 Br2 -","- C32 H24 Br4 -","2","1","","Gao, Qingqing; Qiu, Zijie; Elsegood, Mark R. J.; Chen, Ming; Wang, Jianguo; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Regio- and Stereoselective Polymerization of Diynes with Inorganic Comonomer: A Facile Strategy to Conjugated Poly(p-arylene dihalodiene)s with Processability and Postfunctionalizability","Macromolecules","2018","51","9","3497","","10.1021/acs.macromol.8b00435","","","0.71073","MoKα","","0.0506","0.0335","","","0.0811","0.088","","","","","","1.046","","","","has coordinates","227469","2020-10-21","18:00:00",""
"1552837","10.3766","0.0016","19.563","0.004","8.672","0.0018","90","","89.869","0.007","90","","1760.4","0.6","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N -","- C26 H17 N -","- C104 H68 N4 -","4","1","","Al Mousawi, Assi; Schmitt, Michael; Dumur, Frederic; Ouyang, Jiangkun; Favereau, Ludovic; Dorcet, Vincent; Vanthuyne, Nicolas; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Fouassier, Jean Pierre; Gigmes, Didier; Crassous, Jeanne; Lalevée, Jacques","Visible Light Chiral Photoinitiator for Radical Polymerization and Synthesis of Polymeric Films with Strong Chiroptical Activity","Macromolecules","2018","51","15","5628","","10.1021/acs.macromol.8b01085","","x-ray","0.71073","MoKα","","0.1377","0.0655","","","0.1236","0.1499","","","","","","1.011","","","","has coordinates","227470","2020-10-21","18:00:00",""
"1552838","24.121","0.002","9.6946","0.0008","25.198","0.003","90","","90","","90","","5892.4","1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C63 H55 Cl N2 Pd S4 -","- C63 H55 Cl N2 Pd S4 -","- C252 H220 Cl4 N8 Pd4 S16 -","4","1","","Na, Yinna; Dai, Shengyu; Chen, Changle","Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)","Macromolecules","2018","51","11","4040","","10.1021/acs.macromol.8b00467","","","0.71073","MoKα","","0.2274","0.1399","","","0.328","0.3758","","","","","","1.031","","","","has coordinates,has disorder","227471","2020-10-21","18:00:00",""
"1552839","15.7379","0.0013","13.937","0.0011","14.7041","0.0012","90","","91.146","0.002","90","","3224.5","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 O6 P Pd S2 -","- C30 H33 Cl2 O6 P Pd S2 -","- C120 H132 Cl8 O24 P4 Pd4 S8 -","4","1","","Na, Yinna; Dai, Shengyu; Chen, Changle","Direct Synthesis of Polar-Functionalized Linear Low-Density Polyethylene (LLDPE) and Low-Density Polyethylene (LDPE)","Macromolecules","2018","51","11","4040","","10.1021/acs.macromol.8b00467","","","0.71073","MoKα","","0.0556","0.0337","","","0.0868","0.1001","","","","","","1.067","","","","has coordinates,has disorder","227472","2020-10-21","18:00:00",""
"1552840","9.738","0.004","7.241","0.003","24.578","0.01","90","","90","","90","","1733.1","1.2","566","2","566","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H6 O2 S2 -","- C9 H6 O2 S2 -","- C72 H48 O16 S16 -","8","1","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","","0.71073","MoKα","","0.1129","0.109","","","0.382","0.3928","","","","","","3.87","","","","has coordinates","227473","2020-10-21","18:00:00",""
"1552841","14.089","0.002","6.7932","0.0013","10.3076","0.0017","90","","124.152","0.005","90","","816.4","0.2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H12 O4 S3 -","- C16 H12 O4 S3 -","- C32 H24 O8 S6 -","2","0.5","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","x-ray","0.71073","MoKα","","0.0231","0.0222","","","0.0563","0.0568","","","","","","1.152","","","","has coordinates","227474","2020-10-21","18:00:00",""
"1552842","6.052","0.003","7.23","0.004","10.735","0.006","72.62","0.02","86.1","0.019","69.463","0.017","419.4","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 O2 S2 -","- C9 H6 O2 S2 -","- C18 H12 O4 S4 -","2","1","","Chen, Jianhua; Wang, Lei; Yang, Jie; Yang, Kun; Uddin, Mohammad Afsar; Tang, Yumin; Zhou, Xin; Liao, Qiaogan; Yu, Jianwei; Liu, Bin; Woo, Han Young; Guo, Xugang","Backbone Conformation Tuning of Carboxylate-Functionalized Wide Band Gap Polymers for Efficient Non-Fullerene Organic Solar Cells","Macromolecules","2018","52","1","341","","10.1021/acs.macromol.8b02360","","x-ray","0.71073","MoKα","","0.0238","0.0226","","","0.0555","0.0562","","","","","","1.049","","","","has coordinates","227475","2020-10-21","18:00:00",""
"1552843","5.9874","0.0005","16.1056","0.0015","23.4443","0.0019","90","","90.04","0.02","90","","2260.7","0.3","172","2","172","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0639","0.0476","","","0.099","0.1052","","","","","","1.023","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552844","6.0018","0.0006","16.139","0.002","23.448","0.003","90","0.007","90.032","0.007","90","","2271.2","0.5","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","2","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0812","0.059","","","0.1216","0.1326","","","","","","1.087","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552845","6.0524","0.0002","16.3826","0.0005","23.4238","0.0007","90","","90","","90","","2322.56","0.13","253","2","253","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0944","0.0672","","","0.1554","0.1702","","","","","","1.101","","","","has coordinates,has disorder","227479","2020-10-21","18:00:00",""
"1552846","6.0587","0.0003","16.4386","0.001","23.3475","0.0014","90","","90","","90","","2325.3","0.2","260","2","260","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.2101","0.1079","","","0.1813","0.2085","","","","","","1.065","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552847","6.1145","0.0002","17.2901","0.0006","22.4334","0.0008","90","","90","","90","","2371.67","0.14","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.1172","0.0789","","","0.194","0.2185","","","","","","1.083","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552848","7.52","","38.53","","8.44","","90","","107.82","","90","","2328.13","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227484","2020-10-21","18:00:00",""
"1552849","4.99","","11.92","","22.95","","90","","90","","90","","1365.08","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227486","2020-10-21","18:00:00",""
"1552850","5.045","0.0004","12.4178","0.0011","23.187","0.002","90","","90","","90","","1452.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.0813","0.0672","","","0.179","0.2043","","","","","","1.028","","","","has coordinates","227488","2020-10-21","18:00:00",""
"1552851","7.627","0.001","38.007","0.004","8.5629","0.0012","90","","108.118","0.015","90","","2359.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.1196","0.0772","","","0.2324","0.2528","","","","","","1.176","","","","has coordinates,has disorder","227489","2020-10-21","18:00:00",""
"1552852","10.0671","0.0003","10.4134","0.0003","16.284","0.0005","90","","97.398","0.001","90","","1692.89","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F2 N O3 -","- C20 H17 F2 N O3 -","- C80 H68 F8 N4 O12 -","4","2","","Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin","Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577","Organic Process Research & Development","2018","22","6","681","","10.1021/acs.oprd.8b00059","","","1.54178","CuKα","","0.0362","0.0347","","","0.0876","0.0894","","","","","","1.052","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1552853","5.9578","0.0003","9.7092","0.0005","10.302","0.0006","106.092","0.002","104.979","0.002","94.998","0.001","544.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O3 S -","- C10 H10 N2 O3 S -","- C20 H20 N4 O6 S2 -","2","1","","Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo","N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones","Organic Process Research & Development","2018","22","9","1188","","10.1021/acs.oprd.8b00182","","","0.71073","MoKα","","0.0516","0.047","","","0.1289","0.1351","","","","","","1.085","","","","has coordinates","227491","2020-10-21","18:00:00",""
"1552859","12.004","0.001","9.7942","0.0004","17.4116","0.0008","90","","107.633","0.003","90","","1950.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","","- C36 H38 Cl4 Cu2 N6 O2 -","- C36 H38 Cl4 Cu2 N6 O2 -","- C72 H76 Cl8 Cu4 N12 O4 -","2","0.5","LH4039","Naugle, Mercedes S.; Keller, Brittany T.; Zeller, Matthias; Zaleski, Curtis M.","Di-μ-chlorido-bis[chlorido(dimethylformamide-κ<i>N</i>)(3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]","IUCrData","2018","3","8","x181186","","10.1107/S2414314618011860","","","0.71073","MoKα","","0.0448","0.0401","","","0.1036","0.1066","","","","","","1.037","","","","has coordinates,has Fobs","227673","2020-10-21","18:00:00",""
"1552860","11.7633","0.0004","12.5731","0.0004","13.7249","0.0004","87.283","0.002","75.537","0.002","67.45","0.002","1812.66","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","","- C34 H45 Li Mo N4 O4 P2 -","- C34 H45 Li Mo N4 O4 P2 -","- C68 H90 Li2 Mo2 N8 O8 P4 -","2","1","IS4030","Höhne, Martha; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe","Tetracarbonyl-2κ^4^<i>C</i>-[μ-5-methyl-1,1,3-triphenyl-2-(propan-2-yl)-2,4-diaza-1,3-diphosphahexan-4-ido-1κ<i>N</i>^4^:2κ<i>P</i>^1^,<i>P</i>^3^](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine-1κ^2^<i>N</i>,<i>N</i>')lithiummolybdenum","IUCrData","2018","3","8","x181149","","10.1107/S2414314618011495","","","0.71073","MoKα","","0.0266","0.0226","","","0.0597","0.0605","","","","","","1.029","","","","has coordinates,has Fobs","227674","2020-10-21","18:00:00",""
"1552893","9","0.0018","19.58","0.004","23.93","0.005","77.99","0.03","83.67","0.03","89.86","0.03","4098.6","1.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4CzIPN","(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile","","- C56 H32 N6 -","- C56 H32 N6 -","- C224 H128 N24 -","4","2","","Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome","Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers.","Chemical science","2018","9","27","5883","5889","10.1039/c8sc01818a","","","0.71073","MoKα","","0.1691","0.072","","","0.1603","0.2145","","","","","","0.946","","","","has coordinates","227758","2020-10-21","18:00:00",""
"1552894","18.6689","0.0004","18.6689","","18.6689","","90","","90","","90","","6506.63","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl Cr4 N32 O0.94 -","- C24 H8 Cl Cr4 N32 O0.94 -","- C72 H24 Cl3 Cr12 N96 O2.82 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.03682","","1.03","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552895","18.51977","0.00035","18.51977","","18.51977","","90","","90","","90","","6351.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C24 H8 Cl1.77 Cu5.54 N32 O0.7 -","- C24 H8 Cl1.768 Cu5.536 N32 O0.696 -","- C72 H24 Cl5.304 Cu16.608 N96 O2.088 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03802","","0.99","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552896","18.6867","0.0005","18.6867","","18.6867","","90","","90","","90","","6525.26","0.17","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.22 H8 Cl Cr4 N32 O5.38 -","- C26.216 H8 Cl Cr4 N32 O5.3772 -","- C78.648 H24 Cl3 Cr12 N96 O16.1316 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.06629","","1.16","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552897","18.90048","0.00032","18.90048","","18.90048","","90","","90","","90","","6751.78","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C29.23 H15.77 Cl Fe4.36 N32 O7.88 -","- C29.2368 H15.7664 Cl Fe4.3586 N32 O7.8824 -","- C87.7104 H47.2992 Cl3 Fe13.0758 N96 O23.6472 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05084","","1.12","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552898","18.8957","0.0004","18.8957","","18.8957","","90","","90","","90","","6746.66","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.59 H15.77 Cl Fe4.36 N32 O2.59 -","- C26.592 H15.776 Cl Fe4.358 N32 O2.588 -","- C79.776 H47.328 Cl3 Fe13.074 N96 O7.764 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.05216","","1.08","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552899","18.80041","0.00011","18.80041","","18.80041","","90","","90","","90","","6645.11","0.04","100","","100","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C28.51 Cl Fe5.24 N32 O4.74 -","- C28.5088 Cl Fe5.245 N32 O4.7362 -","- C85.5264 Cl3 Fe15.735 N96 O14.2086 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","x-ray","0.61072","","","","","","","","","0.05319","","3.2","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552900","18.52951","0.00033","18.52951","","18.52951","","90","","90","","90","","6361.97","0.11","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 -","- C26.128 H8 Cl1.76796 Cu5.53592 N32 O4.95512 -","- C78.384 H24 Cl5.30388 Cu16.6078 N96 O14.8654 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.03713","","1.01","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552901","18.8952","0.0004","18.8952","","18.8952","","90","","90","","90","","6746.13","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C33.47 H15.77 Cl Fe4.36 N32 O16.34 -","- C33.4594 H15.7664 Cl Fe4.3586 N32 O16.2496 -","- C100.378 H47.2992 Cl3 Fe13.0758 N96 O48.7487 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0775","","","","","","","","","0.06561","","1.26","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552902","18.5323","0.0004","18.5323","","18.5323","","90","","90","","90","","6364.85","0.14","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 -","- C30.6968 H8 Cl1.76796 Cu5.53592 N32 O14.0899 -","- C92.0904 H24 Cl5.30388 Cu16.6078 N96 O42.2698 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.0782","","","","","","","","","0.05263","","1.05","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552903","18.7761","0.0006","18.7761","","18.7761","","90","","90","","90","","6619.4","0.2","30","","30","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C25.75 H8 Cl Cr4 N32 O4.45 -","- C25.744 H8 Cl Cr4 N32 O4.368 -","- C77.232 H24 Cl3 Cr12 N96 O13.104 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.37039","","","","","","","","","0.05807","","2.13","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552904","18.68163","0.00034","18.68163","","18.68163","","90","","90","","90","","6519.95","0.12","10","","10","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C31.66 H8 Cl Cr4 N32 O16.26 -","- C31.652 H8 Cl Cr4 N32 O16.2432 -","- C94.956 H24 Cl3 Cr12 N96 O48.7296 -","3","0.0625","","Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L.","An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites.","Chemical science","2018","9","20","4579","4588","10.1039/c8sc00971f","powder diffraction","neutron","2.078","","","","","","","","","0.05488","","1.18","","","","","","","has coordinates","227760","2020-10-21","18:00:00",""
"1552905","12.5636","0.0018","13.3254","0.0019","17.435","0.003","83.702","0.005","82.251","0.005","72.027","0.005","2743.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H85 K N2 Ni O7 S -","- C54 H69 K N2 Ni O7 S -","- C108 H138 K2 N4 Ni2 O14 S2 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1355","0.073","","","0.1674","0.1962","","","","","","1.004","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552906","12.8138","0.0016","13.34","0.0017","20.566","0.003","80.905","0.004","87.457","0.004","62.801","0.004","3085.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H93 K N2 Ni O6 S2 -","- C61 H77 K N2 Ni O6 S2 -","- C122 H154 K2 N4 Ni2 O12 S4 -","2","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.0992","0.0635","","","0.1444","0.1642","","","","","","1.012","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552907","20.875","0.006","11.044","0.003","26.136","0.008","90","","101.289","0.007","90","","5909","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H89 K N2 Ni O8 -","- C60 H89 K N2 Ni O8 -","- C240 H356 K4 N8 Ni4 O32 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1961","0.1112","","","0.2693","0.3112","","","","","","1.07","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552908","24.849","0.0019","17.4488","0.0012","27.016","0.002","90","","115.268","0.003","90","","10593","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H166 K2 N4 Ni2 O18 -","- C101 H148 K2 N4 Ni2 O18 -","- C404 H592 K8 N16 Ni8 O72 -","4","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1954","0.0905","","","0.2063","0.2638","","","","","","1.032","","","","has coordinates","227761","2020-10-21","18:00:00",""
"1552909","38.446","0.004","18.5998","0.0016","18.9696","0.0016","90","","112.48","0.002","90","","12534","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H105 K N2 Ni O8 S2 -","- C59 H77 K N2 Ni O8 S2 -","- C472 H616 K8 N16 Ni8 O64 S16 -","8","1","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1641","0.0865","","","0.2195","0.2693","","","","","","1.029","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552910","12.5942","0.001","20.265","0.002","22.942","0.002","90","","92.03","0.005","90","","5851.6","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C117 H178 K2 N4 Ni2 O16 S2 -","- C117 H170 K2 N4 Ni2 O16 S2 -","- C234 H340 K4 N8 Ni4 O32 S4 -","2","0.5","","Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W.","Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction.","Chemical science","2018","9","31","6580","6588","10.1039/c8sc02536c","","","0.71073","MoKα","","0.1181","0.0582","","","0.1176","0.1413","","","","","","1.009","","","","has coordinates,has disorder","227761","2020-10-21","18:00:00",""
"1552911","5.66599","0.00006","8.61364","0.0001","31.0135","0.0003","90","","90","","90","","1513.61","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 F3 N O3 S -","- C17 H10 F3 N O3 S -","- C68 H40 F12 N4 O12 S4 -","4","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","1.54187","CuKα","","0.0479","0.0479","","","0.1124","0.1124","","","","","","0.962","","","","has coordinates","227762","2020-10-21","18:00:00",""
"1552912","27.336","0.002","11.5772","0.001","19.4333","0.0017","90","","106.049","0.001","90","","5910.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H70 B F20 Y -","- C64 H70 B F20 Y -","- C256 H280 B4 F80 Y4 -","4","0.5","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0685","0.047","","","0.1119","0.1255","","","","","","1.032","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552913","15.0163","0.0005","23.1163","0.0008","16.7813","0.0006","90","","90.902","0.001","90","","5824.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 B F20 Y -","- C62 H66 B F20 Y -","- C248 H264 B4 F80 Y4 -","4","1","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0795","0.0638","","","0.1591","0.1719","","","","","","1.053","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552914","16.538","0.002","14.4952","0.0018","22.753","0.003","90","","90.053","0.002","90","","5454.4","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H58 B F20 Y -","- C58 H58 B F20 Y -","- C232 H232 B4 F80 Y4 -","4","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.1146","0.0821","","","0.216","0.2386","","","","","","1.123","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552915","14.599","0.01","16.737","0.011","47.12","0.03","90","","90.253","0.011","90","","11513","13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B F20 Y -","- C60 H62 B F20 Y -","- C480 H496 B8 F160 Y8 -","8","2","","Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G.","High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets.","Chemical science","2018","9","45","8492","8503","10.1039/c8sc03907k","","","0.71073","MoKα","","0.0909","0.0769","","","0.1922","0.2027","","","","","","1.046","","","","has coordinates,has disorder","227763","2020-10-21","18:00:00",""
"1552918","20.449","0.00014","35.9379","0.0002","31.80647","0.00019","90","","91.1204","0.0006","90","","23369.9","0.2","113","2","113","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Au25Biicosahedral","","- C220 H195 Au25 Cl2 F10.62 P10 S5 Sb2.02 -","- C220 H195 Au25 Cl2 F10.626 P10 S5 Sb2.0235 -","- C880 H780 Au100 Cl8 F42.504 P40 S20 Sb8.094 -","4","1","","Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi","Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties.","Nanoscale","2018","10","40","18969","18979","10.1039/c8nr04078h","","x-ray","1.54184","CuKα","","0.0489","0.0416","","","0.1158","0.1195","","","","","","1.072","","","","has coordinates,has disorder","227885","2020-10-21","18:00:00",""
"1552959","28.22","0.005","14.54","0.005","13.394","0.005","90","0.005","100.684","0.005","90","0.005","5401","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Eu N2 O9 -","- C22 H23 Eu N2 O9 -","- C176 H184 Eu8 N16 O72 -","8","1","","Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming","Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework.","Analytical chemistry","2018","90","11","6675","6682","10.1021/acs.analchem.8b00494","","","0.71069","MoKα","","0.0491","0.0449","","","0.1084","0.1119","","","","","","1.063","","","","has coordinates","231209","2020-10-21","18:00:00",""
"1552960","28.492","0.005","14.539","0.005","13.492","0.005","90","0.005","101.87","0.005","90","0.005","5469","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 La N2 O9 -","- C22 H21 La N2 O9 -","- C176 H168 La8 N16 O72 -","8","1","","Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming","Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework.","Analytical chemistry","2018","90","11","6675","6682","10.1021/acs.analchem.8b00494","","","0.71069","MoKα","","0.0349","0.0303","","","0.0732","0.0763","","","","","","1.107","","","","has coordinates","231210","2020-10-21","18:00:00",""
"1552961","28.614","0.005","14.383","0.005","13.644","0.005","90","0.005","97.284","0.005","90","0.005","5570","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N2 O9 Tb -","- C22 H23 N2 O9 Tb -","- C176 H184 N16 O72 Tb8 -","8","1","","Wang, Xin-Yu; Yao, Xu; Huang, Qiang; Li, Yu-Xin; An, Guang-Hui; Li, Guang-Ming","Triple-Wavelength-Region Luminescence Sensing Based on a Color-Tunable Emitting Lanthanide Metal Organic Framework.","Analytical chemistry","2018","90","11","6675","6682","10.1021/acs.analchem.8b00494","","","0.71069","MoKα","","0.033","0.0275","","","0.0693","0.0743","","","","","","1.044","","","","has coordinates","231211","2020-10-21","18:00:00",""
"1552962","18.661","0.0005","24.3629","0.0007","15.4291","0.0004","90","","110.652","0.001","90","","6563.9","0.3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H80 O38 -","- C51 H80 O38 -","- C204 H320 O152 -","4","1","","Suzuki, Nozomu; Kinoshita, Mariko; Miyabe, Kanji","Kinetic Study of Chiral Intermolecular Interactions by Moment Analysis Based on Affinity Capillary Electrophoresis.","Analytical chemistry","2018","90","18","11048","11053","10.1021/acs.analchem.8b02823","","","1.54178","","","0.0629","0.0625","","","0.172","0.1728","","","","","","1.038","","","","has coordinates,has disorder","231212","2020-10-21","18:00:00",""
"1553243","13.0489","0.0003","12.6807","0.0003","7.92534","0.00019","90","","90","","90","","1311.4","0.05","108.5","","108.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhang, Xiao-Yan; Liu, Zhan-Liang; Sun, Bing-Da; Niu, Shu-Bin; Wang, Meng-Hua; Tan, Xiang-Mei; Zou, Zhong-Mei; Ding, Gang","Bioactive Resorcylic Acid Lactones with Different Ring Systems from Desert Plant Chaetosphaeronema hispidulum. [corrected].","Journal of agricultural and food chemistry","2018","66","34","8976","8982","10.1021/acs.jafc.8b02648","","","1.5418","CuKα","","0.033","0.0322","","","0.0856","0.0863","","","","","","1.046","","","","has coordinates","234001","2020-10-21","18:00:00",""
"1553246","26.9572","0.0008","9.9991","0.0003","19.3387","0.0005","90","","100.974","0.003","90","","5117.4","0.3","150","","150","","","","","","","","synthetic","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 N2 O3.5 -","- C27 H37 N2 O3.5 -","- C216 H296 N16 O28 -","8","2","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.5418","CuKα","","0.0869","0.0692","","0.2142","0.1871","0.2134","","","","","","0.9954","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""
"1553247","9.9756","0.0003","9.9756","0.0003","9.8502","0.0003","90","","90","","120","","848.89","0.04","150","","150","","","","","","","","synthetic","5","P 32","P 32","145","","","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.0189","0.0188","","0.0493","0.0492","0.0493","","","","","","1.0009","","","","has coordinates","234004","2020-10-21","18:00:00",""
"1553248","9.8846","0.0004","9.7683","0.0003","15.0513","0.0006","90","","97.453","0.004","90","","1441.01","0.09","150","","150","","","","","","","","synthetic","4","I 1 a 1","I -2ya","9","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.","Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory","Journal of Chemical Education","2018","96","1","137","","10.1021/acs.jchemed.7b00982","","","1.54184","CuKα","","0.026","0.0257","","0.0689","0.0684","0.0689","","","","","","1.0035","","","","has coordinates,has disorder","234004","2020-10-21","18:00:00",""
"1553253","22.01","0.005","9.223","0.002","9.454","0.002","90","","100.101","0.005","90","","1889.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","cpd1","gene113","","- C19 H23 Cl F N O4 S -","- C19 H23 Cl F N O4 S -","- C76 H92 Cl4 F4 N4 O16 S4 -","4","1","","Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S.","Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain.","Journal of medicinal chemistry","2018","61","11","4810","4831","10.1021/acs.jmedchem.7b01826","","","0.71073","MoKα","","0.0785","0.0516","","","0.1067","0.116","","","","","","0.978","","","","has coordinates","234011","2020-10-21","18:00:00",""
"1553254","13.774","0.004","18.775","0.006","10.658","0.003","90","","110.084","0.009","90","","2588.6","1.3","205","","205","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 Br N5 O3 -","- C27 H28 Br N5 O3 -","- C108 H112 Br4 N20 O12 -","4","2","","Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao","Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.","Journal of medicinal chemistry","2018","61","10","4608","4627","10.1021/acs.jmedchem.8b00441","","","0.71073","MoKα","","0.1236","0.0538","","","0.1108","0.1366","","","","","","0.967","","","","has coordinates,has disorder","234012","2020-10-21","18:00:00",""
"1553255","6.917","0.0003","8.4769","0.0003","18.1729","0.0007","90","","90","","90","","1065.56","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao","Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.","Journal of medicinal chemistry","2018","61","10","4608","4627","10.1021/acs.jmedchem.8b00441","","","1.54178","CuKα","","0.0475","0.039","","","0.1132","0.1224","","","","","","0.962","","","","has coordinates","234013","2020-10-21","18:00:00",""
"1553256","7.7758","0.0003","10.3458","0.0002","14.6505","0.0004","71.053","0.002","75.006","0.003","80.624","0.002","1072.75","0.06","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 F N5 O2 -","- C26 H20 F N5 O2 -","- C52 H40 F2 N10 O4 -","2","1","","Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng","Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.","Journal of medicinal chemistry","2018","61","14","6110","6120","10.1021/acs.jmedchem.8b00483","","","1.54184","CuKα","","0.0458","0.0415","","","0.1072","0.1118","","","","","","1.055","","","","has coordinates","234015","2020-10-21","18:00:00",""
"1553257","6.9288","0.0008","7.9172","0.0009","52.844","0.006","90","","90","","90","","2898.8","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C H O -","- C1.50588 H1.83529 O0.470588 -","- C128 H156 O40 -","85","21.25","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.1523","0.1024","","","0.2016","0.2201","","","","","","1.16","","","","has coordinates","234017","2020-10-21","18:00:00",""
"1553258","8.0784","0.0003","8.0784","0.0003","45.237","0.002","90","","90","","90","","2952.2","0.2","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.0303","0.0301","","","0.074","0.0741","","","","","","1.025","","","","has coordinates","234018","2020-10-21","18:00:00",""
"1553259","7.7904","0.0006","11.4929","0.0011","16.2869","0.0015","90","","103.739","0.003","90","","1416.5","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.0459","0.0391","","","0.0773","0.0795","","","","","","1.067","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553260","7.5165","0.0016","8.0959","0.0017","24.661","0.009","90","","90","","90","","1500.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F2 N3 O2 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","1.54184","CuKα","","0.0461","0.0396","","","0.1083","0.1218","","","","","","1.301","","","","has coordinates","234020","2020-10-21","18:00:00",""
"1553261","9.41991","0.00012","10.1144","0.00012","23.7285","0.0004","90","","91.6653","0.0013","90","","2259.82","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Zhang, Xiao-Ru; Wang, Hao-Wen; Tang, Wen-Lin; Zhang, Yu; Yang, Hui; Hu, De-Xuan; Ravji, Azhar; Marchand, Christophe; Kiselev, Evgeny; Ofori-Atta, Kwabena; Agama, Keli; Pommier, Yves; An, Lin-Kun","Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents.","Journal of medicinal chemistry","2018","61","22","9908","9930","10.1021/acs.jmedchem.8b00639","","x-ray","1.54184","CuKα","","0.0561","0.046","","","0.1225","0.1325","","","","","","1.044","","","","has coordinates","234021","2020-10-21","18:00:00",""
"1553262","9.804","0.00017","15.8991","0.0002","18.4457","0.0003","82.7271","0.0013","86.7456","0.0014","72.239","0.0014","2715.65","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.2 H31.8 Cl Ir N5 O0.2 -","- C29.2 H31.8 Cl Ir N5 O0.2 -","- C116.8 H127.2 Cl4 Ir4 N20 O0.8 -","4","2","","Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.","Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.","Journal of medicinal chemistry","2018","61","16","7330","7344","10.1021/acs.jmedchem.8b00906","","x-ray","0.71073","MoKα","","0.0479","0.033","","","0.0687","0.0751","","","","","","1.033","","","","has coordinates,has disorder","234022","2020-10-21","18:00:00",""
"1553263","11.78544","0.00006","14.43434","0.00011","23.04719","0.00013","90","","90","","90","","3920.67","0.04","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18.75 H26 Cl Ir N5 O0.75 -","- C18.75 H26 Cl Ir N5 O0.75 -","- C150 H208 Cl8 Ir8 N40 O6 -","8","1","","Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.","Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.","Journal of medicinal chemistry","2018","61","16","7330","7344","10.1021/acs.jmedchem.8b00906","","x-ray","1.54184","CuKα","","0.0253","0.0229","","","0.059","0.0611","","","","","","1.05","","","","has coordinates,has disorder","234023","2020-10-21","18:00:00",""
"1553264","7.738","0.006","10.534","0.008","14.044","0.01","70.163","0.008","86.367","0.009","81.901","0.008","1065.9","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C52 H46 N6 O6 -","2","1","","Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie","Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.","Journal of medicinal chemistry","2018","61","23","10488","10501","10.1021/acs.jmedchem.8b01018","","","0.71073","MoKα","","0.0657","0.0452","","","0.1241","0.1424","","","","","","1.049","","","","has coordinates","234024","2020-10-21","18:00:00",""
"1553265","12.27","0.0003","21.5852","0.0004","8.2015","0.0003","90","","99.774","0.003","90","","2140.64","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11.556 N0.889 O0.889 -","- C12 H11.5556 N0.888889 O0.888889 -","- C108 H104 N8 O8 -","9","2.25","","Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie","Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.","Journal of medicinal chemistry","2018","61","23","10488","10501","10.1021/acs.jmedchem.8b01018","","x-ray","1.54184","CuKα","","0.0857","0.0622","","","0.1513","0.1763","","","","","","1.0462","","","","has coordinates","276404","2022-06-29","09:55:33",""
"1553266","10.2122","0.0013","16.083","0.002","12.5447","0.0016","90","","104.737","0.002","90","","1992.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie","Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.","Journal of medicinal chemistry","2018","61","23","10488","10501","10.1021/acs.jmedchem.8b01018","","","0.71073","MoKα","","0.0648","0.0522","","","0.138","0.1498","","","","","","1.011","","","","has coordinates","234026","2020-10-21","18:00:00",""
"1553278","5.436","0.004","9.003","0.006","21.664","0.012","90","","90","","90","","1060.2","1.2","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-chloro-8-(1-methyl-1H-pyrrol-3-yl)tetrazolo[1,5-c]pyrimidine","","- C9 H7 Cl N6 -","- C9 H7 Cl N6 -","- C36 H28 Cl4 N24 -","4","1","","Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal","Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides.","Journal of medicinal chemistry","2018","61","20","9347","9359","10.1021/acs.jmedchem.8b01258","","x-ray","0.71073","MoKα","","0.0432","0.0296","","0.0411","0.0299","0.0299","","","","","","1.1252","","","","has coordinates","234042","2020-10-21","18:00:00",""
"1553279","8.2465","0.0004","6.6263","0.0004","16.392","0.0007","90","","97.969","0.002","90","","887.07","0.08","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-chloro-5-methyl-5,8-dihydropyrrolo[2',3'4,5]pyrrolo[2,3-d]pyrimidine","","- C9 H7 Cl N4 -","- C9 H7 Cl N4 -","- C36 H28 Cl4 N16 -","4","1","","Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal","Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides.","Journal of medicinal chemistry","2018","61","20","9347","9359","10.1021/acs.jmedchem.8b01258","","x-ray","0.71073","MoKα","","0.0323","0.0304","","0.0371","0.0324","0.0324","","","","","","1.0661","","","","has coordinates","234043","2020-10-21","18:00:00",""
"1553313","15.7712","0.0001","15.7712","0.0001","10.4612","0.0001","90","","90","","120","","2253.42","0.03","290","2","290","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C84 H120 O24 -","6","1","","Li, Tian-Xiao; Liu, Rui-Huan; Wang, Xiao-Bing; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi; Yang, Ming-Hua","Hypoxia-Protective Azaphilone Adducts from Peyronellaea glomerata.","Journal of natural products","2018","81","5","1148","1153","10.1021/acs.jnatprod.7b00663","","","1.54184","CuKα","","0.0564","0.0562","","","0.1869","0.187","","","","","","1.012","","","","has coordinates","234091","2020-10-21","18:00:00",""
"1553314","5.8459","0.0002","7.8647","0.0003","14.9863","0.0005","90","","96.369","0.001","90","","684.76","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.0321","0.0316","","","0.0824","0.0832","","","","","","1.071","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553315","10.28","0.002","15.493","0.003","10.27","0.002","90","","119.71","0.03","90","","1420.7","0.6","104","2","104","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54184","CuKα","","0.078","0.0681","","","0.1732","0.1853","","","","","","1.086","","","","has coordinates,has disorder","234092","2020-10-21","18:00:00",""
"1553316","11.5078","0.0003","10.0306","0.0003","12.1928","0.0003","90","","101.04","0.001","90","","1381.37","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","2","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.0361","0.0353","","","0.1017","0.1026","","","","","","1.609","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553317","7.5723","0.0008","9.7359","0.0012","9.3881","0.0011","90","","102.926","0.007","90","","674.58","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C30 H48 O4 -","2","1","","Zhou, Qin-Mei; Chen, Ming-Hua; Li, Xiao-Hong; Peng, Cheng; Lin, Da-Sheng; Li, Xiao-Nian; He, Yang; Xiong, Liang","Absolute Configurations and Bioactivities of Guaiane-Type Sesquiterpenoids Isolated from Pogostemon cablin.","Journal of natural products","2018","81","9","1919","1927","10.1021/acs.jnatprod.7b00690","","","1.54178","CuKα","","0.1327","0.0804","","","0.2031","0.2664","","","","","","1.114","","","","has coordinates","234092","2020-10-21","18:00:00",""
"1553318","11.6575","0.0003","9.7318","0.0002","15.2642","0.0004","90","","93.137","0.001","90","","1729.11","0.07","273","2","273.08","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0428","0.0373","","","0.0869","0.0911","","","","","","1.06","","","","has coordinates","234094","2020-10-21","18:00:00",""
"1553319","19.3772","0.0007","8.318","0.0003","11.812","0.0006","90","","109.092","0.003","90","","1799.13","0.13","296","","296","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0517","0.049","","","0.1312","0.1337","","","","","","1.054","","","","has coordinates","234096","2020-10-21","18:00:00",""
"1553320","8.2214","0.0001","10.0997","0.0002","20.3117","0.0004","90","","90","","90","","1686.56","0.05","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0349","0.0341","","","0.0855","0.0866","","","","","","1.087","","","","has coordinates","234097","2020-10-21","18:00:00",""
"1553321","6.93466","0.00008","9.91657","0.00011","11.54675","0.00014","71.8945","0.001","84.5865","0.001","75.6285","0.001","730.985","0.016","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C38 H30 N2 O10 -","2","1","","Zhang, Jun; Zhang, Qing-Ying; Tu, Peng-Fei; Xu, Fu-Chun; Liang, Hong","Mucroniferanines A-G, Isoquinoline Alkaloids from Corydalis mucronifera.","Journal of natural products","2018","81","2","364","370","10.1021/acs.jnatprod.7b00847","","x-ray","1.54184","CuKα","","0.0326","0.0325","","","0.0825","0.0825","","","","","","1.065","","","","has coordinates","234099","2020-10-21","18:00:00",""
"1553322","11.3606","0.0003","13.5941","0.0004","9.1502","0.0002","90","","90","","90","","1413.13","0.06","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui","Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A.","Journal of natural products","2018","81","6","1311","1320","10.1021/acs.jnatprod.7b00889","","","1.54178","CuKα","","0.0304","0.0303","","","0.0848","0.0849","","","","","","1.151","","","","has coordinates","234101","2020-10-21","18:00:00",""
"1553323","8.7757","0.0012","9.156","0.0012","9.8895","0.0013","73.107","0.004","85.312","0.006","82.044","0.005","752.29","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui","Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A.","Journal of natural products","2018","81","6","1311","1320","10.1021/acs.jnatprod.7b00889","","","1.54178","CuKα","","0.1933","0.1889","","","0.4334","0.4464","","","","","","2.079","","","","has coordinates","234102","2020-10-21","18:00:00",""
"1553324","7.9251","0.0003","11.9865","0.0004","14.2732","0.0005","90","","90","","90","","1355.87","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui","Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A.","Journal of natural products","2018","81","6","1311","1320","10.1021/acs.jnatprod.7b00889","","","1.54178","CuKα","","0.0515","0.0513","","","0.1681","0.1684","","","","","","1.087","","","","has coordinates","234103","2020-10-21","18:00:00",""
"1553325","9.4144","0.0002","25.4932","0.0004","10.9393","0.0002","90","","115.504","0.002","90","","2369.63","0.09","130","0.1","130","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26.5 H31 F N O6 -","- C26.5 H31 F N O6 -","- C106 H124 F4 N4 O24 -","4","2","","Egbewande, Folake A.; Sadowski, Martin C.; Levrier, Claire; Tousignant, Kaylyn D.; White, Jonathan M.; Coster, Mark J.; Nelson, Colleen C.; Davis, Rohan A.","Identification of Gibberellic Acid Derivatives That Deregulate Cholesterol Metabolism in Prostate Cancer Cells.","Journal of natural products","2018","81","4","838","845","10.1021/acs.jnatprod.7b00929","","x-ray","1.54184","CuKα","","0.0377","0.0355","","","0.0891","0.0918","","","","","","1.024","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553326","8.7826","0.0002","13.1341","0.0004","16.1714","0.0003","90","","90","","90","","1865.4","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C72 H72 N8 O24 -","8","1","","Chang, Fang-Rong; Li, Pei-Shian; Huang Liu, Rosa; Hu, Hao-Chun; Hwang, Tsong-Long; Lee, Jin-Ching; Chen, Shu-Li; Wu, Yang-Chang; Cheng, Yuan-Bin","Bioactive Phenolic Components from the Twigs of Atalantia buxifolia.","Journal of natural products","2018","81","7","1534","1539","10.1021/acs.jnatprod.7b00938","","","1.54178","CuKα","","0.0548","0.0447","","","0.1409","0.1588","","","","","","1.044","","","","has coordinates","234106","2020-10-21","18:00:00",""
"1553327","6.6038","0.0006","20.8285","0.0014","7.1958","0.0006","90","","112.565","0.01","90","","913.99","0.14","105.5","","105.5","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C40 H68 O10 -","2","1","","Zhu, Yu-Xun; Zhang, Zhao-Xin; Yan, Hui-Min; Lu, Di; Zhang, Huan-Ping; Li, Li; Liu, Yun-Bao; Li, Yong","Antinociceptive Diterpenoids from the Leaves and Twigs of Rhododendron decorum.","Journal of natural products","2018","81","5","1183","1192","10.1021/acs.jnatprod.7b00941","","","1.5418","CuKα","","0.0386","0.0381","","","0.1001","0.1012","","","","","","1.076","","","","has coordinates","234108","2020-10-21","18:00:00",""
"1553328","7.4572","0.0008","8.9283","0.001","18.5642","0.0019","90","","92.91","0.03","90","","1234.4","0.2","100","2","100","2","","","","","","","Extracted from stem-bark of Pleiocarpa pycnantha","4","P 1 21/c 1","-P 2ybc","14","Evoxanthin","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Ndongo, Joseph T.; Mbing, Joséphine N; Monteillier, Aymeric; Tala, Michel F.; Rütten, Michael; Mombers, Daniel; Cuendet, Muriel; Pegnyemb, Dieudonné E; Dittrich, Birger; Laatsch, Hartmut","Carbazole-, Aspidofractinine-, and Aspidocarpamine-Type Alkaloids from Pleiocarpa pycnantha.","Journal of natural products","2018","81","5","1193","1202","10.1021/acs.jnatprod.7b00958","","","0.7107","MoKα","","0.0694","0.0424","","","","0.08","","","","","","1.868","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1553329","7.4061","0.0003","9.1421","0.0004","14.8478","0.0006","90","","95.826","0.002","90","","1000.11","0.07","298","2","298","2","","","","","","","Extracted from stem-bark of Pleiocarpa pycnantha","4","P 1 21 1","P 2yb","4","Pleiocarpine","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C46 H56 N4 O8 -","2","1","","Ndongo, Joseph T.; Mbing, Joséphine N; Monteillier, Aymeric; Tala, Michel F.; Rütten, Michael; Mombers, Daniel; Cuendet, Muriel; Pegnyemb, Dieudonné E; Dittrich, Birger; Laatsch, Hartmut","Carbazole-, Aspidofractinine-, and Aspidocarpamine-Type Alkaloids from Pleiocarpa pycnantha.","Journal of natural products","2018","81","5","1193","1202","10.1021/acs.jnatprod.7b00958","","","0.71073","MoKα","","0.07","0.033","","","","0.036","","","","","","2.221","","","","has coordinates","234110","2020-10-21","18:00:00",""
"1553330","8.8766","0.0002","10.9773","0.0003","18.104","0.0005","90","","90","","90","","1764.07","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Qi, Xiao-Li; Zhang, Ying-Ying; Zhao, Peng; Zhou, Le; Wang, Xiao-Bo; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","ent-Kaurane Diterpenoids with Neuroprotective Properties from Corn Silk ( Zea mays).","Journal of natural products","2018","81","5","1225","1234","10.1021/acs.jnatprod.7b01017","","","1.54178","CuKα","","0.0695","0.0642","","","0.1545","0.1595","","","","","","1.115","","","","has coordinates","234112","2020-10-21","18:00:00",""
"1553331","14.7901","0.0004","19.0871","0.0005","8.0499","0.0002","90","","90","","90","","2272.49","0.1","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C1.43 H1.43 O0.72 -","- C1.43284 H1.43284 O0.716418 -","- C96 H96 O48 -","67","16.75","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0355","0.0348","","","0.0982","0.0991","","","","","","1.1","","","","has coordinates","234114","2020-10-21","18:00:00",""
"1553332","27.9933","0.0004","9.57267","0.00008","22.8556","0.0004","90","","118.274","0.002","90","","5393.91","0.16","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C H O -","- C1.49333 H1.28 O0.64 -","- C224 H192 O96 -","150","18.75","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1061","0.1079","","","","","","1.067","","","","has coordinates","234116","2020-10-21","18:00:00",""
"1553333","8.1894","0.0001","10.3069","0.0002","15.1113","0.0002","82.627","0.001","87.492","0.001","76.457","0.001","1229.66","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O12 -","- C28 H24 O12 -","- C56 H48 O24 -","2","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0372","0.0359","","","0.0997","0.1008","","","","","","1.028","","","","has coordinates","234118","2020-10-21","18:00:00",""
"1553334","22.066","0.0006","9.1694","0.0003","6.5996","0.0002","90","","107.302","0.002","90","","1274.89","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0339","0.0336","","","0.0926","0.0929","","","","","","1.044","","","","has coordinates","234119","2020-10-21","18:00:00",""
"1553335","5.0238","0.0004","5.5679","0.0004","12.8812","0.0014","99.395","0.007","94.679","0.008","105.645","0.007","339.31","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H15 Cl O7 -","- C13 H15 Cl O7 -","- C13 H15 Cl O7 -","1","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0798","0.0779","","","0.217","0.2196","","","","","","1.097","","","","has coordinates","234121","2020-10-21","18:00:00",""
"1553336","4.5542","0.0001","11.4674","0.0003","25.3578","0.0007","90","","90","","90","","1324.31","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0344","0.0319","","","0.0818","0.0838","","","","","","1.032","","","","has coordinates","234123","2020-10-21","18:00:00",""
"1553337","6.6328","0.0001","11.7781","0.0002","22.7943","0.0005","90","","90","","90","","1780.73","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.0532","0.0491","","","0.1173","0.1213","","","","","","1.109","","","","has coordinates","234125","2020-10-21","18:00:00",""
"1553338","8.9197","0.0002","13.6933","0.0003","16.4126","0.0003","90","","90","","90","","2004.64","0.07","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.0428","0.0397","","","0.1055","0.1078","","","","","","1.076","","","","has coordinates","234127","2020-10-21","18:00:00",""
"1553339","10.775","0.003","20.705","0.005","9.606","0.002","90","","90","","90","","2143.1","0.9","296","","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.1386","0.0699","","","0.1646","0.2127","","","","","","0.93","","","","has coordinates","234128","2020-10-21","18:00:00",""
"1553340","6.7584","0.0002","14.2353","0.0004","27.7506","0.0008","90","","90","","90","","2669.83","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Arbutin hydrate","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","1.54178","CuKα","","0.0344","0.0306","","","0.0693","0.0711","","","","","","1.04","","","","has coordinates","234130","2020-10-21","18:00:00",""
"1553341","14.958","0.003","4.754","0.001","15.974","0.003","90","","100.84","0.03","90","","1115.6","0.4","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O11 -","- C22 H28 O11 -","- C44 H56 O22 -","2","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","0.71073","MoKα","","0.0657","0.0492","","","0.1141","0.1229","","","","","","1.028","","","","has coordinates","234132","2020-10-21","18:00:00",""
"1553342","4.9","0.001","12.5","0.003","14.55","0.003","86.4","0.03","88.07","0.03","80.31","0.03","876.5","0.3","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C17 H22 O9 -","- C17 H22 O9 -","- C34 H44 O18 -","2","2","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","0.71073","MoKα","","0.054","0.0509","","","0.1358","0.1392","","","","","","1.058","","","","has coordinates,has disorder","234134","2020-10-21","18:00:00",""
"1553343","14.2391","0.0004","6.4146","0.0002","19.8531","0.0006","90","","95.8796","0.0009","90","","1803.81","0.09","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H24 O10 -","- C17 H24 O10 -","- C68 H96 O40 -","4","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","1.54178","CuKα","","0.0449","0.0446","","","0.1155","0.1158","","","","","","1.04","","","","has coordinates","234136","2020-10-21","18:00:00",""
"1553344","5.353","0.0011","17.855","0.004","19.903","0.004","90","","90","","90","","1902.3","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","","0.71073","MoKα","","0.0443","0.0398","","","0.1089","0.1129","","","","","","1.071","","","","has coordinates","234138","2020-10-21","18:00:00",""
"1553345","27.2552","0.0004","27.2552","0.0004","7.0051","0.0002","90","","90","","90","","5203.71","0.18","296","2","296","2","","","","","","","","3","I 4","I 4","79","","","","- C27 H36 O8 -","- C27 H36 O8 -","- C216 H288 O64 -","8","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0364","0.0359","","","0.1002","0.1005","","","","","","1.076","","","","has coordinates,has disorder","234140","2020-10-21","18:00:00",""
"1553346","8.0835","0.0002","14.1264","0.0003","21.173","0.0004","90","","90","","90","","2417.76","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.031","0.0308","","","0.0809","0.0811","","","","","","1.04","","","","has coordinates","234141","2020-10-21","18:00:00",""
"1553347","7.8574","0.0002","11.5792","0.0002","28.3079","0.0005","90","","90","","90","","2575.52","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O9 -","- C27 H40 O9 -","- C108 H160 O36 -","4","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0263","0.0262","","","0.0704","0.0707","","","","","","1.058","","","","has coordinates","234144","2020-10-21","18:00:00",""
"1553348","6.5706","0.0002","7.0972","0.0002","13.8873","0.0005","103.479","0.001","90.068","0.001","105.91","0.001","604.17","0.03","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C26 H34 O8 -","1","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0458","0.0322","","","0.0826","0.0994","","","","","","1.148","","","","has coordinates","234145","2020-10-21","18:00:00",""
"1553349","18.2722","0.0007","8.8097","0.0004","30.3644","0.0012","90","","106.554","0.002","90","","4685.2","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C208 H240 O72 -","8","4","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0398","0.0362","","","0.0937","0.0975","","","","","","1.022","","","","has coordinates","234147","2020-10-21","18:00:00",""
"1553350","12.239","0.0016","8.3534","0.001","23.758","0.003","90","","97.666","0.007","90","","2407.2","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","2","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.1619","0.1406","","","0.3624","0.3854","","","","","","1.617","","","","has coordinates","234149","2020-10-21","18:00:00",""
"1553351","6.02825","0.00015","12.9002","0.0004","17.5524","0.0006","90","","90","","90","","1364.97","0.07","107.3","","107.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","","1.5418","CuKα","","0.0437","0.0403","","","0.1007","0.1037","","","","","","1.05","","","","has coordinates","234151","2020-10-21","18:00:00",""
"1553352","7.4903","0.0006","10.5587","0.001","11.233","0.0009","63.805","0.009","72.976","0.007","85.623","0.007","760.77","0.13","105.9","","105.9","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C32 H52 O6 -","2","1","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","","1.5418","CuKα","","0.0447","0.0432","","","0.1107","0.1123","","","","","","1.052","","","","has coordinates","234153","2020-10-21","18:00:00",""
"1553353","6.0061","0.0003","25.4056","0.0009","13.9957","0.0007","90","","92.894","0.004","90","","2132.86","0.17","107.8","0.2","107.8","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O -","- C15 H26 O -","- C90 H156 O6 -","6","3","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","x-ray","1.54184","CuKα","","0.0441","0.041","","","0.1008","0.1039","","","","","","1.027","","","","has coordinates","234155","2020-10-21","18:00:00",""
"1553354","6.0342","0.0004","12.8921","0.0008","17.5406","0.001","90","","90","","90","","1364.54","0.15","107.4","","107.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","","1.5418","CuKα","","0.0381","0.0371","","","0.0972","0.0984","","","","","","1.041","","","","has coordinates","234156","2020-10-21","18:00:00",""
"1553355","45.884","0.003","7.0425","0.0007","15.7032","0.0017","90","","103.902","0.009","90","","4925.7","0.8","106.3","","106.3","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29.25 H43 O3.25 -","- C29.25 H43 O3.25 -","- C234 H344 O26 -","8","2","","Liu, Fei; Wang, Ya-Nan; Li, Yong; Ma, Shuang-Gang; Qu, Jing; Liu, Yun-Bao; Niu, Chang-Shan; Tang, Zhong-Hai; Li, Yu-Huan; Li, Li; Yu, Shi-Shan","Minor Nortriterpenoids from the Twigs and Leaves of Rhododendron latoucheae.","Journal of natural products","2018","81","8","1721","1733","10.1021/acs.jnatprod.7b01074","","","1.5418","CuKα","","0.1163","0.114","","","0.2516","0.2528","","","","","","1.129","","","","has coordinates,has disorder","234158","2020-10-21","18:00:00",""
"1553356","9.8858","0.0002","12.0145","0.0002","14.3049","0.0002","89.442","0.001","76.043","0.001","85.25","0.001","1643.12","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H48 O10 -","- C34 H48 O10 -","- C68 H96 O20 -","2","1","","Li, Yan-Ping; Hu, Kun; Yang, Xing-Wei; Xu, Gang","Antibacterial Dimeric Acylphloroglucinols from Hypericum japonicum.","Journal of natural products","2018","81","4","1098","1102","10.1021/acs.jnatprod.8b00017","","","1.54178","CuKα","","0.058","0.0572","","","0.1708","0.1719","","","","","","1.046","","","","has coordinates","234160","2020-10-21","18:00:00",""
"1553357","6.7548","0.0006","7.6045","0.0006","8.7945","0.0007","109.953","0.001","90.989","0.002","98.977","0.002","418.22","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 N O3 -","- C10 H8 N O3 -","- C20 H16 N2 O6 -","2","1","","Ghate, Nikhil B.; Chaudhuri, Dipankar; Panja, Sourav; Singh, Sudhir S.; Gupta, Gajendra; Lee, Chang Yeon; Mandal, Nripendranath","In Vitro Mechanistic Study of the Anti-inflammatory Activity of a Quinoline Isolated from Spondias pinnata Bark.","Journal of natural products","2018","81","9","1956","1961","10.1021/acs.jnatprod.8b00036","","","0.71073","MoKα","","0.077","0.0656","","","0.2015","0.2153","","","","","","1.06","","","","has coordinates","234162","2020-10-21","18:00:00",""
"1553358","7.1002","0.0009","12.6795","0.0015","18.118","0.002","90","","90","","90","","1631.1","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O6 -","- C15 H19 Cl N2 O6 -","- C60 H76 Cl4 N8 O24 -","4","1","","Fitch, Richard W.; Snider, Barry B.; Zhou, Quan; Foxman, Bruce M.; Pandya, Anshul A.; Yakel, Jerrel L.; Olson, Thao T.; Al-Muhtasib, Nour; Xiao, Yingxian; Welch, Kevin D.; Panter, Kip E.","Absolute Configuration and Pharmacology of the Poison Frog Alkaloid Phantasmidine.","Journal of natural products","2018","81","4","1029","1035","10.1021/acs.jnatprod.8b00062","","","0.71073","MoKα","","0.0487","0.0392","","0.0788","0.0741","0.0788","","","","","","1.0003","","","","has coordinates","234164","2020-10-21","18:00:00",""
"1553359","8.3572","0.0003","11.9056","0.0002","9.5276","0.0004","90","","110.117","0.005","90","","890.14","0.06","97.6","","97.6","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C40 H40 O14 -","2","1","","Ren, Fengxia; Chen, Shenxi; Zhang, Yang; Zhu, Shuaiming; Xiao, Junhai; Liu, Xingzhong; Su, Ruibin; Che, Yongsheng","Hawaiienols A-D, Highly Oxygenated p-Terphenyls from an Insect-Associated Fungus, Paraconiothyrium hawaiiense.","Journal of natural products","2018","81","8","1752","1759","10.1021/acs.jnatprod.8b00106","","","1.5418","CuKα","","0.04","0.0397","","","0.1044","0.1047","","","","","","1.044","","","","has coordinates","234165","2020-10-21","18:00:00",""
"1553360","8.054","0.0005","12.548","0.0007","14.0945","0.0008","115.86","0.001","94.702","0.001","102.435","0.001","1226.37","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H39 N O7 -","- C24 H35 N O7 -","- C48 H70 N2 O14 -","2","2","","Wang, Wenjing; Gong, Jiaojiao; Liu, Xiaorui; Dai, Chong; Wang, Yanyan; Li, Xiao-Nian; Wang, Jianping; Luo, Zengwei; Zhou, Yuan; Xue, Yongbo; Zhu, Hucheng; Chen, Chunmei; Zhang, Yonghui","Cytochalasans Produced by the Coculture of Aspergillus flavipes and Chaetomium globosum.","Journal of natural products","2018","81","7","1578","1587","10.1021/acs.jnatprod.8b00110","","","1.54178","CuKα","","0.0569","0.0559","","","0.1587","0.1626","","","","","","1.072","","","","has coordinates","234167","2020-10-21","18:00:00",""
"1553361","7.4196","0.0003","10.8293","0.0005","17.811","0.0009","90","","90","","90","","1431.1","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Shi, Zhen-Zhen; Miao, Feng-Ping; Fang, Sheng-Tao; Yin, Xiu-Li; Ji, Nai-Yun","Trichorenins A-C, Algicidal Tetracyclic Metabolites from the Marine-Alga-Epiphytic Fungus Trichoderma virens Y13-3.","Journal of natural products","2018","81","4","1121","1124","10.1021/acs.jnatprod.8b00164","","","1.54178","CuKα","","0.0481","0.0424","","","0.1091","0.1136","","","","","","1.051","","","","has coordinates","234169","2020-10-21","18:00:00",""
"1553362","8.2777","0.0008","11.3247","0.0009","10.202","0.0007","90","","94.708","0.008","90","","953.13","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Alstonoxine F","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C40 H56 N4 O10 -","2","1","","Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.","Journal of natural products","2018","81","5","1266","1277","10.1021/acs.jnatprod.8b00170","","","1.54184","CuKα","","0.0832","0.0714","","","0.1866","0.1984","","","","","","1.256","","","","has coordinates","234170","2020-10-21","18:00:00",""
"1553363","9.4917","0.0006","12.8453","0.0009","18.5275","0.001","90","","99.113","0.006","90","","2230.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Angustilongine A","","","- C45 H56 Cl6 N4 O5 -","- C45 H56 Cl6 N4 O5 -","- C90 H112 Cl12 N8 O10 -","2","1","","Yeap, Joanne Soon-Yee; Navanesan, Suerialoasan; Sim, Kae-Shin; Yong, Kien-Thai; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ajmaline, Oxindole, and Cytotoxic Macroline-Akuammiline Bisindole Alkaloids from Alstonia penangiana.","Journal of natural products","2018","81","5","1266","1277","10.1021/acs.jnatprod.8b00170","","","0.71073","MoKα","","0.0535","0.0445","","","0.1216","0.1429","","","","","","1.083","","","","has coordinates","234171","2020-10-21","18:00:00",""
"1553364","12.5134","0.0002","15.207","0.0002","20.2912","0.0003","90","","90","","90","","3861.24","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H54 O12 -","- C37 H54 O12 -","- C148 H216 O48 -","4","1","","Ye, Ye; Dawa, Drolma; Liu, Guang-Hui; Zhao, Min; Tseden, Dorje; Gu, Yu-Cheng; Ding, Li-Sheng; Cao, Zhi-Xing; Zhou, Yan","Antiproliferative Sesquiterpenoids from Ligularia rumicifolia with Diverse Skeletons.","Journal of natural products","2018","81","9","1992","2003","10.1021/acs.jnatprod.8b00197","","","1.54178","CuKα","","0.0312","0.0311","","","0.0791","0.0792","","","","","","1.068","","","","has coordinates","234173","2020-10-21","18:00:00",""
"1553365","7.2485","0.0002","11.0572","0.0004","17.0554","0.0006","90","","99.689","0.002","90","","1347.46","0.08","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H45 O5 -","- C30 H46 O5 -","- C60 H92 O10 -","2","1","","Bai, Wei; Yang, Hong-Ying; Jiao, Xing-Zhi; Feng, Ke-Na; Chen, Jian-Jun; Gao, Kun","Structurally Diverse Highly Oxygenated Triterpenoids from the Roots of Ailanthus altissima and Their Cytotoxicity.","Journal of natural products","2018","81","8","1777","1785","10.1021/acs.jnatprod.8b00208","","","1.54178","CuKα","","0.0371","0.0356","","","0.0906","0.092","","","","","","1.042","","","","has coordinates","234175","2020-10-21","18:00:00",""
"1553366","9.176","0.007","8.194","0.002","19.269","0.002","90","","93.524","0.014","90","","1446.1","1.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","baillonic acid","3,8-dimethoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid","","- C17 H14 O7 -","- C17 H14 O7 -","- C68 H56 O28 -","4","1","","Olivon, Florent; Nothias, Louis-Félix; Dumontet, Vincent; Retailleau, Pascal; Berger, Sylvie; Ferry, Gilles; Cohen, William; Pfeiffer, Bruno; Boutin, Jean A.; Scalbert, Elisabeth; Roussi, Fanny; Litaudon, Marc","Natural Inhibitors of the RhoA-p115 Complex from the Bark of Meiogyne baillonii.","Journal of natural products","2018","81","7","1610","1618","10.1021/acs.jnatprod.8b00209","","","1.54187","CuKα","","0.0443","0.0345","","","0.0909","0.1038","","","","","","1.112","","","","has coordinates","234177","2020-10-21","18:00:00",""
"1553371","10.272","0.0001","16.583","0.0002","18.9486","0.0002","90","","90","","90","","3227.72","0.06","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H24 O3.5 -","- C17.5 H24 O3.5 -","- C140 H192 O28 -","8","2","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.036","0.0343","","","0.0937","0.0959","","","","","","1.047","","","","has coordinates","234186","2020-10-21","18:00:00",""
"1553372","29.658","0.0019","6.8498","0.0005","7.4333","0.0005","90","","104.45","0.002","90","","1462.31","0.17","302","2","301.94","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0397","0.0386","","","0.1056","0.1074","","","","","","1.103","","","","has coordinates","234187","2020-10-21","18:00:00",""
"1553373","6.0879","0.0004","8.0119","0.0006","29.617","0.002","90","","90","","90","","1444.59","0.17","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0506","0.0376","","","0.1115","0.1208","","","","","","1.105","","","","has coordinates","234189","2020-10-21","18:00:00",""
"1553374","9.3465","0.0003","9.3699","0.0003","18.6281","0.0006","90","","90","","90","","1631.37","0.09","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0328","0.0318","","","0.0871","0.0881","","","","","","1.069","","","","has coordinates","234190","2020-10-21","18:00:00",""
"1553375","10.1815","0.0002","10.1849","0.0002","15.7912","0.0003","90","","90","","90","","1637.51","0.06","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.042","0.0413","","","0.1078","0.1087","","","","","","1.08","","","","has coordinates","234192","2020-10-21","18:00:00",""
"1553376","6.2785","0.0002","10.5538","0.0004","14.393","0.0004","100.197","0.003","100.924","0.003","91.722","0.003","919.64","0.05","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C42 H64 O6 -","2","2","","Zhang, Shasha; Wang, Xia; Hao, Jin; Li, Dangdang; Csuk, René; Li, Shengkun","Expediently Scalable Synthesis and Antifungal Exploration of (+)-Yahazunol and Related Meroterpenoids.","Journal of natural products","2018","81","9","2010","2017","10.1021/acs.jnatprod.8b00310","","x-ray","1.54184","CuKα","","0.0386","0.0359","","","0.0994","0.1077","","","","","","1.016","","","","has coordinates","234194","2020-10-21","18:00:00",""
"1553377","25.67","0.005","7.0317","0.0013","17.015","0.003","90","","103.786","0.003","90","","2982.8","1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C160 H128 N16 O24 -","8","2","","Liu, Ye; Yu, Heng-Yi; Xu, Hong-Zhe; Liu, Jun-Jun; Meng, Xiang-Gao; Zhou, Ming; Ruan, Han-Li","Alkaloids with Immunosuppressive Activity from the Bark of Pausinystalia yohimbe.","Journal of natural products","2018","81","8","1841","1849","10.1021/acs.jnatprod.8b00324","","","0.71073","MoKα","","0.1036","0.061","","","0.131","0.1493","","","","","","0.995","","","","has coordinates","234196","2020-10-21","18:00:00",""
"1553378","10.596","0.003","19.264","0.006","16.921","0.005","90","","106.312","0.005","90","","3314.9","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","2","","Liu, Ye; Yu, Heng-Yi; Xu, Hong-Zhe; Liu, Jun-Jun; Meng, Xiang-Gao; Zhou, Ming; Ruan, Han-Li","Alkaloids with Immunosuppressive Activity from the Bark of Pausinystalia yohimbe.","Journal of natural products","2018","81","8","1841","1849","10.1021/acs.jnatprod.8b00324","","","0.71073","MoKα","","0.1486","0.0583","","","0.1314","0.1774","","","","","","1.011","","","","has coordinates","234198","2020-10-21","18:00:00",""
"1553379","12.9258","0.0001","18.5966","0.0002","20.6239","0.0002","90","","90","","90","","4957.49","0.08","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C232 H280 N8 O24 -","8","1","","Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong","LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.","Journal of natural products","2018","81","11","2371","2380","10.1021/acs.jnatprod.8b00338","","x-ray","1.54184","CuKα","","0.1399","0.1102","","","0.2998","0.3396","","","","","","1.254","","","","has coordinates","234199","2020-10-21","18:00:00",""
"1553380","7.72842","0.00007","10.28179","0.0001","15.3023","0.00015","90","","91.9454","0.0009","90","","1215.25","0.02","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C58 H70 N2 O6 -","2","1","","Ma, Xiao-Li; Li, Jun; Zheng, Jiao; Gu, Xiao-Pan; Ferreira, Daneel; Zjawiony, Jordan K.; Zhao, Ming-Bo; Guo, Xiao-Yu; Tu, Peng-Fei; Jiang, Yong","LC-MS-Guided Isolation of Insulin-Secretion-Promoting Monoterpenoid Carbazole Alkaloids from Murraya microphylla.","Journal of natural products","2018","81","11","2371","2380","10.1021/acs.jnatprod.8b00338","","x-ray","1.54184","CuKα","","0.0564","0.0488","","","0.1023","0.1098","","","","","","1.148","","","","has coordinates","234201","2020-10-21","18:00:00",""
"1553381","5.6966","0.0003","5.6223","0.0002","22.2355","0.0014","90","","95.895","0.006","90","","708.39","0.06","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong","Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009.","Journal of natural products","2018","81","8","1860","1868","10.1021/acs.jnatprod.8b00345","","x-ray","1.54184","CuKα","","0.0752","0.0633","","","0.1729","0.1907","","","","","","1.102","","","","has coordinates","234203","2020-10-21","18:00:00",""
"1553382","7.73476","0.00008","8.02415","0.00008","25.5244","0.0003","90","","90","","90","","1584.17","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong","Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009.","Journal of natural products","2018","81","8","1860","1868","10.1021/acs.jnatprod.8b00345","","x-ray","1.54184","CuKα","","0.031","0.0306","","","0.084","0.0842","","","","","","1.101","","","","has coordinates","234204","2020-10-21","18:00:00",""
"1553383","4.2311","0.0006","13.8888","0.0018","18.56","0.002","90","","91.894","0.013","90","","1090.1","0.2","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong","Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009.","Journal of natural products","2018","81","8","1860","1868","10.1021/acs.jnatprod.8b00345","","x-ray","1.54184","CuKα","","0.0844","0.0673","","","0.1889","0.2162","","","","","","1.113","","","","has coordinates","234206","2020-10-21","18:00:00",""
"1553384","11.0078","0.0009","6.8749","0.0008","12.6547","0.0012","90","","98.677","0.008","90","","946.72","0.16","296.56","0.1","296.56","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Wei, Wen-Jun; Song, Qiu-Yan; Zheng, Zai-Qin; Yao, Xiaojun; Li, Ya; Gao, Kun","Phytotoxic ent-Isopimarane-Type Diterpenoids from Euphorbia hylonoma.","Journal of natural products","2018","81","11","2381","2391","10.1021/acs.jnatprod.8b00365","","","0.71073","MoKα","","0.1126","0.0631","","","0.1134","0.1435","","","","","","1.002","","","","has coordinates","234207","2020-10-21","18:00:00",""
"1553385","6.7154","0.0008","15.1719","0.0015","17.1256","0.0015","90","","90","","90","","1744.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C72 H104 O24 -","4","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0591","0.0493","","","0.1258","0.1349","","","","","","1.019","","","","has coordinates","234209","2020-10-21","18:00:00",""
"1553386","10.7912","0.0006","7.2246","0.0004","11.6007","0.0006","90","","96.97","0.003","90","","897.73","0.08","296","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C36 H52 O14 -","2","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0625","0.0505","","","0.1475","0.159","","","","","","1.057","","","","has coordinates","234210","2020-10-21","18:00:00",""
"1553387","8.9106","0.0001","10.0011","0.0002","11.0207","0.0002","90","","110.689","0.001","90","","918.78","0.03","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C38 H52 O14 -","2","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0333","0.0331","","","0.0926","0.0928","","","","","","1.113","","","","has coordinates","234212","2020-10-21","18:00:00",""
"1553388","8.32583","0.00011","13.41861","0.00019","29.848","0.0004","90","","90","","90","","3334.65","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 O6.5 -","- C19 H23 O6.5 -","- C152 H184 O52 -","8","2","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0372","0.0358","","","0.0952","0.096","","","","","","1.013","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553389","6.6414","0.0001","14.9068","0.0001","17.8924","0.0002","90","","90","","90","","1771.38","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0318","0.0312","","","0.0853","0.0857","","","","","","1.103","","","","has coordinates","234215","2020-10-21","18:00:00",""
"1553390","13.403","0.0008","13.403","0.0008","17.8604","0.001","90","","90","","120","","2778.6","0.3","293","2","293","2","","","","","","","","4","P 62","P 62","171","","","","- C38 H50 O14 S -","- C38 H50 O14 S -","- C114 H150 O42 S3 -","3","0.5","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0471","0.045","","","0.1211","0.1229","","","","","","1.161","","","","has coordinates","234217","2020-10-21","18:00:00",""
"1553391","36.457","0.002","4.886","0.0003","20.2686","0.0009","90","","105.385","0.005","90","","3481","0.3","100","0.3","100","0.3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.0898","0.0555","","","0.1152","0.1324","","","","","","1.029","","","","has coordinates,has disorder","234219","2020-10-21","18:00:00",""
"1553392","64.164","0.002","4.8171","0.0002","10.9786","0.0004","90","","90.556","0.003","90","","3393.2","0.2","100","0.2","100","0.2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.06","0.0484","","","0.1284","0.1383","","","","","","1.02","","","","has coordinates","234221","2020-10-21","18:00:00",""
"1553393","5.3774","0.0003","14.7492","0.0006","43.061","0.002","90","","90.817","0.005","90","","3414.9","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H36 O3 -","- C28 H36 O3 -","- C168 H216 O18 -","6","3","","Raghavan, Vijay; Johnson, Jordan L.; Stec, Donald F.; Song, Bongkeun; Zajac, Grzegorz; Baranska, Malgorzata; Harris, Constance M.; Schley, Nathan D.; Polavarapu, Prasad L.; Harris, Thomas M.","Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography.","Journal of natural products","2018","81","12","2654","2666","10.1021/acs.jnatprod.8b00458","","x-ray","1.54184","CuKα","","0.0767","0.0646","","","0.169","0.18","","","","","","1.046","","","","has coordinates","234223","2020-10-21","18:00:00",""
"1553394","6.3352","0.0003","39.6779","0.0016","11.4316","0.0005","90","","90.621","0.002","90","","2873.4","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26.5 H50 O11.5 -","- C26.5 H50 O11.5 -","- C106 H200 O46 -","4","2","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0723","0.0594","","","0.1552","0.167","","","","","","1.061","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1553395","6.9345","0.0002","13.2666","0.0004","28.7946","0.0008","90","","90","","90","","2649.02","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0392","0.0335","","","0.0782","0.081","","","","","","1.032","","","","has coordinates","234227","2020-10-21","18:00:00",""
"1553396","12.2958","0.0004","6.6149","0.0002","15.8066","0.0005","90","","92.789","0.001","90","","1284.11","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H44 O10 -","- C26 H44 O10 -","- C52 H88 O20 -","2","1","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0422","0.0391","","","0.106","0.1084","","","","","","1.046","","","","has coordinates","234228","2020-10-21","18:00:00",""
"1553397","9.209","0.0001","14.6102","0.0002","18.3937","0.0003","90","","90","","90","","2474.79","0.06","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C120 H168 O16 -","4","1","","Tabefam, Marzieh; Moridi Farimani, Mahdi; Danton, Ombeline; Ramseyer, Justine; Nejad Ebrahimi, Samad; Neuburger, Markus; Kaiser, Marcel; Salehi, Peyman; Potterat, Olivier; Hamburger, Matthias","Antiprotozoal Isoprenoids from Salvia hydrangea.","Journal of natural products","2018","81","12","2682","2691","10.1021/acs.jnatprod.8b00498","","","1.34143","GaKα","","0.0255","0.025","","0.0297","0.0291","0.029","","","","","","1.0761","","","","has coordinates","234230","2020-10-21","18:00:00",""
"1553398","14.1355","0.0004","18.3034","0.0004","20.5777","0.0006","90","","97.024","0.003","90","","5284.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","EUD15","EUD15","","- C36 H48 O9 -","- C36 H48 O9 -","- C216 H288 O54 -","6","3","","Kúsz, Norbert; Orvos, Péter; Bereczki, Laura; Fertey, Pierre; Bombicz, Petra; Csorba, Attila; Tálosi, László; Jakab, Gusztáv; Hohmann, Judit; Rédei, Dóra","Diterpenoids from Euphorbia dulcis with Potassium Ion Channel Inhibitory Activity with Selective G Protein-Activated Inwardly Rectifying Ion Channel (GIRK) Blocking Effect.","Journal of natural products","2018","81","11","2483","2492","10.1021/acs.jnatprod.8b00500","","x-ray","0.7999","synchrotron","","0.0659","0.0613","","","0.1714","0.1786","","","","","","1.078","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553399","11.686","0.0002","11.686","0.0002","29.8596","0.0006","90","","90","","120","","3531.4","0.11","296","2","296","2","","","","","","","","3","P 32 2 1","P 32 2""","154","(+) Mangostafeejin A","","","- C25 H28 O9 -","- C25 H28 O9 -","- C150 H168 O54 -","6","1","","Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.","Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.","Journal of natural products","2018","81","10","2244","2250","10.1021/acs.jnatprod.8b00519","","","1.54178","CuKα","","0.06","0.0435","","","0.113","0.1239","","","","","","1.006","","","","has coordinates,has disorder","234233","2020-10-21","18:00:00",""
"1553400","11.6878","0.0003","11.6878","0.0003","29.8747","0.0008","90","","90","","120","","3534.27","0.16","296","2","296","2","","","","","","","","3","P 31 2 1","P 31 2""","152","(-) Mangostafeejin A","","","- C25 H28 O9 -","- C25 H28 O9 -","- C150 H168 O54 -","6","1","","Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.","Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.","Journal of natural products","2018","81","10","2244","2250","10.1021/acs.jnatprod.8b00519","","","1.54178","CuKα","","0.0533","0.0389","","","0.1061","0.1152","","","","","","1.03","","","","has coordinates,has disorder","234235","2020-10-21","18:00:00",""
"1553401","22.1574","0.0011","10.8642","0.0005","21.0512","0.001","90","","115.067","0.001","90","","4590.2","0.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O9 -","- C25 H28 O9 -","- C200 H224 O72 -","8","1","","Arunrattiyakorn, Panarat; Kuno, Mayuso; Aree, Thammarat; Laphookhieo, Surat; Sriyatep, Teerayut; Kanzaki, Hiroshi; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Andersen, Raymond J.","Biotransformation of β-Mangostin by an Endophytic Fungus of Garcinia mangostana to Furnish Xanthenes with an Unprecedented Heterocyclic Skeleton.","Journal of natural products","2018","81","10","2244","2250","10.1021/acs.jnatprod.8b00519","","","0.71073","MoKα","","0.1061","0.0524","","","0.117","0.1419","","","","","","1.005","","","","has coordinates,has disorder","234237","2020-10-21","18:00:00",""
"1553655","24.741","0.005","24.741","0.005","19.826","0.004","90","","90","","120","","10510","4","400","2","400","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C432 H504 N72 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0629","0.0538","","","0.142","0.1513","","","","","","1.075","","","","has coordinates","235693","2020-10-21","18:00:00",""
"1553656","24.483","0.0011","24.483","0.0011","19.6123","0.0009","90","","90","","120","","10181","0.8","100","","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C73.1 H89.96 Cl1.55 N12 O1.89 -","- C73.095 H87.765 Cl1.551 N12 O1.893 -","- C438.57 H526.59 Cl9.306 N72 O11.358 -","6","0.333333","","Slater, A. G.; Little, M. A.; Briggs, M. E.; Jelfs, K. E.; Cooper, A. I.","A solution-processable dissymmetric porous organic cage","Molecular Systems Design & Engineering","2018","3","1","223","","10.1039/C7ME00090A","","x-ray","0.71073","MoKα","","0.0731","0.0608","","","0.1563","0.1666","","","","","","1.074","","","","has coordinates,has disorder","235693","2020-10-21","18:00:00",""
"1553657","10.0027","0.0006","10.4765","0.0006","12.2924","0.0007","74.478","0.003","72.643","0.003","79.707","0.003","1177.8","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H18 N2 O22 Se6 V3 -","- C4 H18 N2 O22 Se6 V3 -","- C8 H36 N4 O44 Se12 V6 -","2","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0222","0.018","","0.0412","0.0396","0.0412","","","","","","0.939","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553658","10.0879","0.0004","6.2047","0.0002","10.6765","0.0004","90","","116.566","0.0017","90","","597.71","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 N2 O10 Se2 V2 -","- C4 H12 N2 O10 Se2 V2 -","- C8 H24 N4 O20 Se4 V4 -","2","0.5","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.021","0.019","","0.053","0.0521","0.053","","","","","","1.0045","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553659","18.816","0.005","7.934","0.005","34.439","0.005","90","","95.85","0.005","90","","5114","4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H44 N4 O48 Se12 V6 -","- C8 H44 N4 O48 Se12 V6 -","- C32 H176 N16 O192 Se48 V24 -","4","0.5","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0561","0.0508","","0.1185","0.1167","0.1145","","","","","","1.1599","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553660","17.999","0.0007","15.658","0.0006","26.0344","0.001","90","","113.803","0.002","90","","6713.1","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H58.67 N6 O65.33 Se16 V8 -","- C8 H58.666 N6 O65.332 Se16 V8 -","- C32 H234.664 N24 O261.328 Se64 V32 -","4","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0534","0.0423","","0.1724","0.1134","0.102","","","","","","1.0242","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553661","24.713","0.002","7.9212","0.0008","34.399","0.002","90","","130.376","0.004","90","","5129.9","0.8","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H43 N4 O47 Se12 V6 -","- C8 H43 N4 O47 Se12 V6 -","- C32 H172 N16 O188 Se48 V24 -","4","1","","Xu, Rosalind J.; Olshansky, Jacob H.; Adler, Philip D. F.; Huang, Yongjia; Smith, Matthew D.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding structural adaptability: a reactant informatics approach to experiment design","Molecular Systems Design & Engineering","2018","3","3","473","","10.1039/C7ME00127D","","","0.71073","MoKα","","0.0563","0.0375","","0.097","0.0903","0.0867","","","","","","1.0613","","","","has coordinates","235695","2020-10-21","18:00:00",""
"1553696","27.6887","0.0013","27.6887","0.0013","27.6887","0.0013","90","","90","","90","","21227.9","1.7","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C42 H28 Cu2 N10 O8 -","- C42 H28 Cu2 N10 O8 -","- C252 H168 Cu12 N60 O48 -","6","0.25","","Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao","Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture","Materials Chemistry Frontiers","2018","2","1","129","","10.1039/C7QM00414A","","","1.54178","CuKα","","0.0225","0.02","","","0.0517","0.0535","","","","","","1.071","","","","has coordinates,has disorder","235909","2020-10-21","18:00:00",""
"1553697","28.1049","0.001","28.1049","0.001","28.1049","0.001","90","","90","","90","","22199.7","1.4","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C42 H28 N10 O8 Zn2 -","- C42 H28 N10 O8 Zn2 -","- C252 H168 N60 O48 Zn12 -","6","0.25","","Tan, Jing; Zhou, Beibei; Liang, Congcong; Zinky, Hannah; Zhou, Hao-Long; Zhang, Yue-Biao","Secondary-amine-functionalized isoreticular metal‒organic frameworks for controllable and selective dye capture","Materials Chemistry Frontiers","2018","2","1","129","","10.1039/C7QM00414A","","","1.54178","CuKα","","0.0363","0.0322","","","0.081","0.0826","","","","","","1.084","","","","has coordinates,has disorder","235909","2020-10-21","18:00:00",""
"1553698","8.7512","0.0009","8.8377","0.001","11.1832","0.001","90.101","0.008","91.344","0.008","106.984","0.009","826.93","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0915","0.0485","","","0.1139","0.1439","","","","","","1.027","","","","has coordinates","235912","2020-10-21","18:00:00",""
"1553699","10.8856","0.0012","5.8214","0.0006","26.159","0.003","90","","95.577","0.013","90","","1649.8","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0968","0.0576","","","0.1377","0.1653","","","","","","1.035","","","","has coordinates","235912","2020-10-21","18:00:00",""
"1553700","9.2692","0.0008","9.9355","0.001","10.8222","0.0009","79.332","0.008","65.483","0.008","69.001","0.009","845.8","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong","Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics","Materials Chemistry Frontiers","2018","2","1","180","","10.1039/C7QM00435D","","","0.71073","MoKα","","0.0808","0.0516","","","0.122","0.1468","","","","","","1.033","","","","has coordinates","235912","2020-10-21","18:00:00",""
"1553701","7.622","0.003","14.074","0.005","18.644","0.007","108.82","0.004","99.259","0.005","95.596","0.003","1844.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 N2 O S4 -","- C39 H50 N2 O S4 -","- C78 H100 N4 O2 S8 -","2","1","","Hashikawa, Yoshifumi; Yasui, Hidefumi; Kurotobi, Kei; Murata, Yasujiro","Synthesis and properties of open-cage fullerene C60 derivatives: impact of the extended π-conjugation","Materials Chemistry Frontiers","2018","2","2","206","","10.1039/C7QM00449D","","","0.71073","MoKα","","0.0411","0.035","","","0.0926","0.1025","","","","","","1.099","","","","has coordinates,has disorder","235917","2020-10-21","18:00:00",""
"1553702","7.1876","0.0012","10.559","0.002","10.841","0.002","77.421","0.005","88.462","0.006","76.313","0.005","779.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H34 B20 -","- C26 H34 B20 -","- C26 H34 B20 -","1","0.5","","Mori, Hiroki; Nishino, Kenta; Wada, Keisuke; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Modulation of luminescence chromic behaviors and environment-responsive intensity changes by substituents in bis-o-carborane-substituted conjugated molecules","Materials Chemistry Frontiers","2018","2","3","573","","10.1039/C7QM00486A","","","0.71075","MoKα","","0.2093","0.1011","","","0.2201","0.2833","","","","","","1.005","","","","has coordinates","235920","2020-10-21","18:00:00",""
"1553703","8.3944","0.0011","14.3259","0.0018","11.7204","0.0014","90","","90.646","0.002","90","","1409.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 O4 Si2 -","- C28 H34 O4 Si2 -","- C56 H68 O8 Si4 -","2","0.5","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0527","0.0438","","","0.1134","0.1173","","","","","","1.058","","","","has coordinates","235921","2020-10-21","18:00:00",""
"1553704","11.7637","0.0012","12.6947","0.0014","13.4413","0.0014","90","","92.205","0.002","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 O4 Si2 -","- C48 H42 O4 Si2 -","- C96 H84 O8 Si4 -","2","0.5","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0476","0.0432","","","0.1165","0.1205","","","","","","1.056","","","","has coordinates","235921","2020-10-21","18:00:00",""
"1553705","8.0255","0.0008","15.7261","0.0015","15.9887","0.0015","111.511","0.002","104.2","0.002","100.188","0.002","1738.5","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 O4 Si2 -","- C34 H46 O4 Si2 -","- C68 H92 O8 Si4 -","2","1","","Shimizu, Masaki; Kinoshita, Takumi; Shigitani, Ryosuke; Miyake, Yusuke; Tajima, Kunihiko","Use of silylmethoxy groups as inducers of efficient room temperature phosphorescence from precious-metal-free organic luminophores","Materials Chemistry Frontiers","2018","2","2","347","","10.1039/C7QM00524E","","","0.71073","MoKα","","0.0912","0.0765","","","0.2228","0.2361","","","","","","1.076","","","","has coordinates","235921","2020-10-21","18:00:00",""
"1553706","10.295","0.003","15.211","0.004","15.71","0.004","97.505","0.003","103.952","0.003","98.491","0.002","2325.7","1.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H48 Cl20 N4 O18 Ru4 -","- C76 H40 Cl20 N4 O18 Ru4 -","- C76 H40 Cl20 N4 O18 Ru4 -","1","0.5","","Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi","Metamagnetism with TN = 97 K in a layered assembly of paddlewheel [Ru2] units and TCNQ: an empirical rule for interlayer distances determining the magnetic ground state","Materials Chemistry Frontiers","2018","2","3","497","","10.1039/C7QM00534B","","","0.71075","MoKα","","0.0612","0.0503","","","0.1445","0.1569","","","","","","1.076","","","","has coordinates","235923","2020-10-21","18:00:00",""
"1553707","13.2528","0.0003","16.273","0.0004","18.7976","0.0004","100.659","0.0008","93.188","0.0008","98.3918","0.0014","3927.09","0.16","213","","213","","","","","","","","","3","P -1","-P 1","2","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene","","- C72 H60 O12 -","- C72 H60 O12 -","- C144 H120 O24 -","2","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","0.8","synchrotron","","0.134","0.1263","","","0.4032","0.4165","","","","","","1.957","","","","has coordinates","235926","2020-10-21","18:00:00",""
"1553708","14.593","0.0005","15.3214","0.0005","20.375","0.0006","102.97","0.002","102.468","0.003","97.238","0.003","4261.2","0.3","213","","213","","","","","","","","","3","P -1","-P 1","2","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene","","- C72 H60 O12 -","- C72 H60 O12 -","- C144 H120 O24 -","2","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.1668","0.1052","","","0.3034","0.3608","","","","","","1.017","","","","has coordinates","235926","2020-10-21","18:00:00",""
"1553709","12.2591","0.0003","38.9347","0.0008","18.0305","0.0004","90","","93.869","0.002","90","","8586.4","0.3","213","","213","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-difluorophenyl)triphenylene","","- C60 H24 F12 O12 -","- C60 H24 F12 O12 -","- C240 H96 F48 O48 -","4","0.5","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.1257","0.1061","","","0.3522","0.3784","","","","","","1.481","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553710","27.8455","0.0003","22.4501","0.0002","29.8331","0.0003","90","","95.3352","0.0009","90","","18568.9","0.3","213","","213","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","hexakis(4-carboxy-3,5-dimethylphenyl)triphenylene, methyl benzoate solvate","","- C80 H68 O14 -","- C80 H67.9999 O13.9998 -","- C640 H543.999 O111.998 -","8","1","","Hisaki, Ichiro; Ikenaka, Nobuaki; Tsuzuki, Seiji; Tohnai, Norimitsu","Sterically crowded hydrogen-bonded hexagonal network frameworks","Materials Chemistry Frontiers","2018","2","2","338","","10.1039/C7QM00544J","","","1.54187","CuKα","","0.0975","0.0883","","","0.2811","0.2926","","","","","","1.05","","","","has coordinates,has disorder","235926","2020-10-21","18:00:00",""
"1553711","14.2255","0.0016","29.98","0.004","22.944","0.003","90","","92.5721","0.0018","90","","9775","2","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C63 H55 N6 -","- C63 H52 N6 -","- C504 H416 N48 -","8","2","","Sakamaki, Daisuke; Saeki, Hidenori; Seki, Shu","Synthesis and properties of a twin donor molecule composed of cofacially stacked dihydrodiazapentacenes","Materials Chemistry Frontiers","2018","2","3","530","","10.1039/C7QM00563F","","","0.71075","MoKα","","0.2031","0.1153","","","0.2622","0.3164","","","","","","1.072","","","","has coordinates","235929","2020-10-21","18:00:00",""
"1553712","15.927","0.003","13.626","0.002","25.437","0.004","90","","106.335","0.002","90","","5297.5","1.5","143","","143","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H58 F6 N6 O Sb -","- C63 H51 F6 N6 O Sb -","- C252 H204 F24 N24 O4 Sb4 -","4","1","","Sakamaki, Daisuke; Saeki, Hidenori; Seki, Shu","Synthesis and properties of a twin donor molecule composed of cofacially stacked dihydrodiazapentacenes","Materials Chemistry Frontiers","2018","2","3","530","","10.1039/C7QM00563F","","","0.71075","MoKα","","0.0761","0.0603","","","0.1458","0.1568","","","","","","1.074","","","","has coordinates","235929","2020-10-21","18:00:00",""
"1553713","8.9246","0.0013","26.061","0.004","15.999","0.002","90","","103.344","0.003","90","","3620.6","0.9","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4'-Iodo-1,1'-biphenyl-4-yl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl","","- C19 H20 I N2 O2 -","- C19 H20 I N2 O2 -","- C152 H160 I8 N16 O16 -","8","2","","Suzuki, Shuichi; Nakamura, Fumiya; Naota, Takeshi","A direct synthetic method for (nitronyl nitroxide)-substituted π-electronic compounds via a palladium-catalyzed cross-coupling reaction with a zinc complex","Materials Chemistry Frontiers","2018","2","3","591","","10.1039/C7QM00565B","","","0.71075","MoKα","","0.1256","0.0748","","","0.1833","0.2065","","","","","","0.922","","","","has coordinates","235931","2020-10-21","18:00:00",""
"1553714","8.9325","0.0009","9.7653","0.0011","13.1883","0.0016","81.1923","0.001","77.908","0.001","74.017","0.008","1075.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","2-(10-Phenyl-10H-phenothiazine-3-yl)-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C50 H48 N6 O4 S2 -","2","1","","Suzuki, Shuichi; Nakamura, Fumiya; Naota, Takeshi","A direct synthetic method for (nitronyl nitroxide)-substituted π-electronic compounds via a palladium-catalyzed cross-coupling reaction with a zinc complex","Materials Chemistry Frontiers","2018","2","3","591","","10.1039/C7QM00565B","","","0.71075","MoKα","","0.0724","0.0615","","","0.1651","0.1706","","","","","","1.024","","","","has coordinates","235931","2020-10-21","18:00:00",""
"1553715","33.29","0.04","7.227","0.007","13.232","0.014","90","","105.227","0.018","90","","3072","6","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cl O6 S12 -","- C24 H16 Cl O6 S12 -","- C96 H64 Cl4 O24 S48 -","4","0.5","","Ueda, Akira; Mori, Hatsumi","A phenol-fused tetrathiafulvalene: modulation of hydrogen-bond patterns and electrical conductivity in the charge-transfer salt","Materials Chemistry Frontiers","2018","2","3","566","","10.1039/C7QM00574A","","","0.71073","MoKα","","0.1869","0.0754","","","0.1778","0.2367","","","","","","1.134","","","","has coordinates","235933","2020-10-21","18:00:00",""
"1553716","12.369","0.005","11.196","0.004","10.011","0.004","90","","92.537","0.005","90","","1385","0.9","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O S6 -","- C12 H8 O S6 -","- C48 H32 O4 S24 -","4","1","","Ueda, Akira; Mori, Hatsumi","A phenol-fused tetrathiafulvalene: modulation of hydrogen-bond patterns and electrical conductivity in the charge-transfer salt","Materials Chemistry Frontiers","2018","2","3","566","","10.1039/C7QM00574A","","","0.71073","MoKα","","0.1661","0.0819","","","0.1724","0.2098","","","","","","1.01","","","","has coordinates,has disorder","235933","2020-10-21","18:00:00",""
"1553717","14.367","0.004","14.367","0.004","7.992","0.003","90","","90","","90","","1649.6","0.9","213","2","213","2","","","","","","","","2","P -4 c 2","P -4 -2c","116","CBF","9,9'-bifluorenylidene cyclic dimer","","- C13 H7 -","- C13 H7 -","- C104 H56 -","8","1","","Xu, Jinjia; Takai, Atsuro; Bannaron, Alisa; Nakagawa, Takafumi; Matsuo, Yutaka; Sugimoto, Manabu; Matsushita, Yoshitaka; Takeuchi, Masayuki","A helically-twisted ladder based on 9,9′-bifluorenylidene: synthesis, characterization, and carrier-transport properties","Materials Chemistry Frontiers","2018","2","4","780","","10.1039/C7QM00583K","","","0.71073","MoKα","","0.0488","0.0469","","","0.1059","0.1067","","","","","","1.299","","","","has coordinates","235935","2020-10-21","18:00:00",""
"1553718","18.181","0.002","12.65","0.0016","19.801","0.002","90","","96.169","0.003","90","","4527.7","0.9","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","CBF_with_o-dichlorobenzene","","- C64 H36 Cl4 -","- C64 H36 Cl4 -","- C256 H144 Cl16 -","4","1","","Xu, Jinjia; Takai, Atsuro; Bannaron, Alisa; Nakagawa, Takafumi; Matsuo, Yutaka; Sugimoto, Manabu; Matsushita, Yoshitaka; Takeuchi, Masayuki","A helically-twisted ladder based on 9,9′-bifluorenylidene: synthesis, characterization, and carrier-transport properties","Materials Chemistry Frontiers","2018","2","4","780","","10.1039/C7QM00583K","","","0.71073","MoKα","","0.064","0.0382","","","0.0938","0.1363","","","","","","1.113","","","","has coordinates","235935","2020-10-21","18:00:00",""
"1553719","9.768","0.0007","11.2196","0.0008","25.3543","0.0018","88.261","0.001","82.947","0.001","86.248","0.001","2751","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H62 Cl2 Ge O12 S4 -","- C61 H62 Cl2 Ge O12 S4 -","- C122 H124 Cl4 Ge2 O24 S8 -","2","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0438","0.0352","","","0.0848","0.0888","","","","","","1.032","","","","has coordinates,has disorder","235937","2020-10-21","18:00:00",""
"1553720","9.7198","0.0013","13.551","0.0018","21.616","0.003","104.724","0.002","100.877","0.001","95.266","0.002","2674.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H60 O12 S4 Si -","- C60 H60 O12 S4 Si -","- C120 H120 O24 S8 Si2 -","2","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0481","0.0395","","","0.1044","0.1104","","","","","","1.023","","","","has coordinates,has disorder","235937","2020-10-21","18:00:00",""
"1553721","9.2728","0.0007","21.8232","0.0016","27.505","0.002","90","","97.123","0.001","90","","5523","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H62 Cl2 O12 S4 Sn -","- C61 H62 Cl2 O12 S4 Sn -","- C244 H248 Cl8 O48 S16 Sn4 -","4","1","","Furukawa, Shunsuke; Hayashi, Keisuke; Yamagishi, Ken; Saito, Masaichi","Synthesis and properties of spiro-type heterasumanenes containing group 14 elements as bridging atoms","Materials Chemistry Frontiers","2018","2","5","929","","10.1039/C7QM00590C","","","0.71073","MoKα","","0.0435","0.0295","","","0.0664","0.0723","","","","","","1.016","","","","has coordinates","235937","2020-10-21","18:00:00",""
"1553722","5.0788","0.0003","10.061","0.0007","12.9069","0.0008","76.261","0.005","80.914","0.005","81.176","0.005","627.97","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C28 H30 N2 O8 -","2","1","","Cui, Rong Rong; Lv, Yuan Chao; Zhao, Yong Sheng; Zhao, Na; Li, Nan","Solid-state fluorescent materials based on coumarin derivatives: polymorphism, stimuli-responsive emission, self-assembly and optical waveguides","Materials Chemistry Frontiers","2018","2","5","910","","10.1039/C7QM00617A","","","1.54178","CuKα","","0.0773","0.0539","","","0.1611","0.1811","","","","","","1.074","","","","has coordinates","235940","2020-10-21","18:00:00",""
"1553723","9.1235","0.0002","60.8969","0.0013","8.8517","0.0002","90","","93.03","0.001","90","","4911.07","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 O10 -","- C60 H56 O10 -","- C240 H224 O40 -","4","1","","Nabeya, Kota; Muraoka, Takahiro; Hoshino, Norihisa; Aizawa, Miho; Kajitani, Takashi; Akutagawa, Tomoyuki; Shishido, Atsushi; Fukushima, Takanori; Kinbara, Kazushi","Thermal and optical properties of multiblock macrocycles with hysteretic polymorphic transition","Materials Chemistry Frontiers","2018","2","5","969","","10.1039/C7QM00621G","","","1.54187","CuKα","","0.0578","0.0507","","","0.1265","0.1325","","","","","","1.035","","","","has coordinates,has disorder","235942","2020-10-21","18:00:00",""
"1553856","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","236101","2020-10-21","18:00:00",""
"1553857","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553858","13.633","0.004","15.357","0.004","20.965","0.005","91.591","0.007","94.087","0.007","111.251","0.008","4073.6","1.9","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C90 H125 N3 O10 -","- C90 H125 N3 O10 -","- C180 H250 N6 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0506","","","","0.1486","","","","","","1.07","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553859","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553860","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553861","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553862","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C82 H85 O12 -","- C82 H85 O12 -","- C328 H340 O48 -","4","2","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","273808","2022-03-18","10:32:15",""
"1553863","16.619","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.009","114.325","0.008","3527.9","1.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.1159","","","","0.3888","","","","","","0.799","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553864","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553865","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H.","A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state","Organic Chemistry Frontiers","2018","5","1","10","","10.1039/C7QO00641A","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","236101","2020-10-21","18:00:00",""
"1553872","12.1518","0.0014","12.3848","0.0015","19.412","0.002","90","","90","","90","","2921.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 I N3 O5 -","- C30 H30 I N3 O5 -","- C120 H120 I4 N12 O20 -","4","1","","Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping","A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","1","70","","10.1039/C7QO00691H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0775","0.0799","","","","","","1.038","","","","has coordinates","236109","2020-10-21","18:00:00",""
"1553873","6.1598","0.0003","8.133","0.0004","31.1006","0.0015","90","","90","","90","","1558.07","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C52 H92 N4 O16 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","x-ray","0.71073","MoKα","","0.0588","0.0466","","","0.0947","0.1025","","","","","","1.058","","","","has coordinates","236111","2020-10-21","18:00:00",""
"1553874","7.9925","0.0003","13.9906","0.0004","19.0487","0.0006","90","","90","","90","","2130.02","0.12","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","","0.71073","MoKα","","0.0451","0.0389","","","0.0939","0.098","","","","","","1.113","","","","has coordinates","236111","2020-10-21","18:00:00",""
"1553880","3.8516","0.0002","11.2844","0.0004","21.4208","0.0008","90","","89.074","0.003","90","","930.89","0.07","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl N O2 -","- C10 H8 Cl N O2 -","- C40 H32 Cl4 N4 O8 -","4","1","","Ledovskaya, Maria S.; Rodygin, Konstantin S.; Ananikov, Valentine P.","Calcium-mediated one-pot preparation of isoxazoles with deuterium incorporation","Organic Chemistry Frontiers","2018","5","2","226","","10.1039/C7QO00705A","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","236116","2020-10-21","18:00:00",""
"1553883","10.8597","0.0007","13.0923","0.0008","18.0508","0.0012","75.984","0.002","74.865","0.002","66.722","0.002","2247.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H60 N2 P Sc Si2 -","- C43 H60 N2 P Sc Si2 -","- C86 H120 N4 P2 Sc2 Si4 -","2","1","","Gao, Hongjie; Su, Jianhong; Xu, Pengfei; Xu, Xin","Scandium-catalyzed C(sp3)‒H alkylation of N,N-dimethyl anilines with alkenes","Organic Chemistry Frontiers","2018","5","1","59","","10.1039/C7QO00718C","","","0.71073","MoKα","","0.09","0.0474","","","0.1213","0.1448","","","","","","1.07","","","","has coordinates","236120","2020-10-21","18:00:00",""
"1553884","8.859","0.0015","21.377","0.004","8.0979","0.0014","90","","106.44","0.004","90","","1470.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O -","- C19 H20 O -","- C76 H80 O4 -","4","1","","Zang, Wenqing; Wei, Yin; Shi, Min","Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs)","Organic Chemistry Frontiers","2018","5","2","197","","10.1039/C7QO00722A","","","0.71073","MoKα","","0.0664","0.0449","","","0.115","0.1272","","","","","","1.034","","","","has coordinates","236121","2020-10-21","18:00:00",""
"1553885","6.059","0.0012","8.893","0.0018","13.346","0.003","91.59","0.03","93.75","0.03","108.42","0.03","679.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 O2 -","- C15 H12 Cl2 O2 -","- C30 H24 Cl4 O4 -","2","1","","Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian","An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes","Organic Chemistry Frontiers","2018","5","4","561","","10.1039/C7QO00726D","","","0.71073","MoKα","","0.0734","0.0514","","","0.1484","0.166","","","","","","1.004","","","","has coordinates","236123","2020-10-21","18:00:00",""
"1553886","8.26","0.0017","10.221","0.002","10.602","0.002","102.5","0.03","107.52","0.03","109.03","0.03","756.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","","Dai, Jie; Ren, Wenlong; Li, Jingfu; Shi, Yian","An effective approach to aryl-substituted propanoic acids via the Pd-catalyzed hydrocarboxylation of stilbenes","Organic Chemistry Frontiers","2018","5","4","561","","10.1039/C7QO00726D","","","0.71073","MoKα","","0.0901","0.0617","","","0.168","0.1912","","","","","","1.001","","","","has coordinates","236123","2020-10-21","18:00:00",""
"1553887","17.558","0.0012","9.331","0.0006","9.8891","0.0006","90","","91.367","0.002","90","","1619.71","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Sun, Deli; Zhang, Ronghua","Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides","Organic Chemistry Frontiers","2018","5","1","92","","10.1039/C7QO00729A","","","0.71073","MoKα","","0.067","0.0466","","","0.1158","0.1264","","","","","","1.048","","","","has coordinates","236125","2020-10-21","18:00:00",""
"1553888","15.8995","0.0014","8.3725","0.0008","9.9537","0.0009","90","","100.406","0.003","90","","1303.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Sun, Deli; Zhang, Ronghua","Transition-metal-free, visible-light-induced oxidative cross-coupling for constructing β-acetylamino acrylosulfones from sodium sulfinates and enamides","Organic Chemistry Frontiers","2018","5","1","92","","10.1039/C7QO00729A","","","0.71073","MoKα","","0.0959","0.0708","","","0.1171","0.1261","","","","","","1.155","","","","has coordinates","236125","2020-10-21","18:00:00",""
"1553889","13.2285","0.0011","9.3407","0.0008","14.9536","0.0012","90","","95.087","0.001","90","","1840.4","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O3 S -","- C18 H17 Cl N2 O3 S -","- C72 H68 Cl4 N8 O12 S4 -","4","1","","Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines","Organic Chemistry Frontiers","2018","5","2","189","","10.1039/C7QO00743D","","","0.71073","MoKα","","0.1116","0.0511","","","0.15","0.2046","","","","","","0.943","","","","has coordinates","236127","2020-10-21","18:00:00",""
"1553890","11.6687","0.0009","8.7574","0.0006","17.8369","0.0015","90","","96.512","0.001","90","","1810.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl2 N2 O2 S -","- C17 H14 Cl2 N2 O2 S -","- C68 H56 Cl8 N8 O8 S4 -","4","1","","Jiang, Dong-Fang; Hu, Jie-Yu; Hao, Wen-Juan; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Tunable Cu(i)-catalyzed site-selective dehydrogenative amination of β,γ-unsaturated hydrazones for divergent synthesis of pyrazol-4-ones and 1,6-dihydropyradazines","Organic Chemistry Frontiers","2018","5","2","189","","10.1039/C7QO00743D","","","0.71073","MoKα","","0.1131","0.0508","","","0.0895","0.1018","","","","","","0.996","","","","has coordinates","236127","2020-10-21","18:00:00",""
"1553891","10.5217","0.0013","14.8118","0.0018","29.451","0.003","90","","94.42","0.003","90","","4576.1","0.9","128","2","128","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 N O1.5 P -","- C27 H35 N O1.5 P -","- C216 H280 N8 O12 P8 -","8","1","","Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin","The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C‒H activation","Organic Chemistry Frontiers","2018","5","1","88","","10.1039/C7QO00746A","","","0.71073","MoKα","","0.0427","0.0357","","","0.0934","0.0968","","","","","","1.057","","","","has coordinates","236129","2020-10-21","18:00:00",""
"1553892","24.609","0.006","9.508","0.002","21.415","0.005","90","","115.972","0.004","90","","4504.7","1.8","213","2","213.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N O2 P -","- C28 H24 N O2 P -","- C224 H192 N8 O16 P8 -","8","1","","Wang, Huanan; Li, Shuaiqi; Wang, Baiquan; Li, Bin","The regioselective synthesis of 2-phosphinoylindoles via Rh(iii)-catalyzed C‒H activation","Organic Chemistry Frontiers","2018","5","1","88","","10.1039/C7QO00746A","","","0.71073","MoKα","","0.0569","0.0471","","","0.132","0.1488","","","","","","1.029","","","","has coordinates","236129","2020-10-21","18:00:00",""
"1553893","11.707","0.005","16.717","0.007","15.157","0.007","90","","96.39","0.007","90","","2948","2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Au F3 N4 O3 P S -","- C30 H23 Au F3 N4 O3 P S -","- C120 H92 Au4 F12 N16 O12 P4 S4 -","4","1","","Huang, Ronghui; Yang, Yongchun; Wang, Duo-Sheng; Zhang, Liang; Wang, Dawei","Where does Au coordinate to N-(2-pyridiyl)benzotriazole: gold-catalyzed chemoselective dehydrogenation and borrowing hydrogen reactions","Organic Chemistry Frontiers","2018","5","2","203","","10.1039/C7QO00756F","","","0.71073","MoKα","","0.0791","0.046","","","0.1132","0.1336","","","","","","1.027","","","","has coordinates","236131","2020-10-21","18:00:00",""
"1553894","10.31419","0.00017","19.2062","0.0003","11.0205","0.0002","90","","109.532","0.002","90","","2057.49","0.07","135","","135","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C96 H80 N8 O20 -","4","2","","Ruan, Sai; Lin, Xiaobin; Xie, Lihua; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua","Asymmetric synthesis of 3-aminodihydrocoumarins via the chiral guanidine catalyzed cascade reaction of azlactones","Organic Chemistry Frontiers","2018","5","1","32","","10.1039/C7QO00768J","","x-ray","1.54184","CuKα","","0.0427","0.0414","","","0.1079","0.1097","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553895","8.7889","0.0018","8.9182","0.0018","22.444","0.005","90","","91.02","0.03","90","","1758.9","0.6","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","9b-(2-bromobenzyl)-5-methyl-5,9b-dihydropyrrolizino[3,2-b]indol-10(4aH)-one","","- C21 H17 Br N2 O -","- C10.5 H8.5 Br0.5 N O0.5 -","- C84 H68 Br4 N8 O4 -","8","2","","Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao","Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones","Organic Chemistry Frontiers","2018","5","1","80","","10.1039/C7QO00771J","","","0.71073","MoKα","","0.119","0.0742","","","0.2136","0.2675","","","","","","1.095","","","","has coordinates","236135","2020-10-21","18:00:00",""
"1553896","9.8465","0.0005","26.3558","0.0014","9.9725","0.0005","90","","104.267","0.002","90","","2508.2","0.2","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C120 H112 N16 O8 -","8","2","","Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao","Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones","Organic Chemistry Frontiers","2018","5","1","80","","10.1039/C7QO00771J","","","1.54178","CuKα","","0.0474","0.042","","","0.1109","0.1155","","","","","","1.033","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553897","18.1727","0.0015","10.5743","0.0009","23.813","0.0019","90","","90","","90","","4576","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl F3 N2 O3 -","- C23 H20 Cl F3 N2 O3 -","- C184 H160 Cl8 F24 N16 O24 -","8","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.1089","0.0596","","","0.1255","0.1478","","","","","","1.032","","","","has coordinates","236137","2020-10-21","18:00:00",""
"1553898","18.416","0.005","11.31","0.003","9.759","0.003","90","","93.907","0.007","90","","2027.9","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","2","210","","10.1039/C7QO00772H","","","0.71073","MoKα","","0.0672","0.0457","","","0.1271","0.1398","","","","","","1.027","","","","has coordinates","236137","2020-10-21","18:00:00",""
"1553899","5.36821","0.00006","11.71337","0.00015","21.6232","0.0003","90","","90","","90","","1359.66","0.03","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(2R,4S,5R)-3-(Hydroxymethyl)-8,8-dimethyl-2-(thiophen-2-yl)-7-oxa-1-azaspiro[4.4]nonan-6-one","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Reboredo, Silvia; García-Marijuan, Ainara; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Ugarriza, Iratxe; Vicario, Jose L.","Highly diastereoselective C →N acyl rearrangement in polysubstituted pyrrolidine 2,2-dicarboxylates. Stereocontrolled synthesis of densely functionalized prolines","Organic Chemistry Frontiers","2018","5","6","933","","10.1039/C7QO00793K","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0615","0.062","","","","","","1.079","","","","has coordinates,has disorder","236139","2020-10-21","18:00:00",""
"1553900","9.673","0.0007","11.975","0.0008","10.6305","0.0008","90","","96.144","0.002","90","","1224.3","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C52 H52 Br4 N8 O4 -","4","1","","Zhao, He; Chen, Xiuwen; Jiang, Huanfeng; Zhang, Min","Copper-catalysed dehydrogenative α-C(sp3)‒H amination of tetrahydroquinolines with O-benzoyl hydroxylamines","Organic Chemistry Frontiers","2018","5","4","539","","10.1039/C7QO00794A","","","0.71073","MoKα","","0.0725","0.0383","","","0.0891","0.1042","","","","","","1.001","","","","has coordinates","236142","2020-10-21","18:00:00",""
"1553901","6.5337","0.0001","8.4509","0.0001","26.0879","0.0003","90","","90","","90","","1440.46","0.03","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((1R,5R)-1-hydroxy-3-oxo-5-phenylcyclohexyl)pyridine 1-oxide","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Xu, Youguo; Zhang, Sheng; Li, Lijun; Wang, Yukang; Zha, Zhenggen; Wang, Zhiyong","l-Phenylalanine potassium catalyzed asymmetric formal [3 + 3] annulation of 2-enoyl-pyridine N-oxides with acetone","Organic Chemistry Frontiers","2018","5","3","376","","10.1039/C7QO00796E","","","1.54184","CuKα","","0.0349","0.0324","","","0.0876","0.0987","","","","","","1.068","","","","has coordinates","236144","2020-10-21","18:00:00",""
"1553902","18.4928","0.0016","11.5835","0.0008","11.4759","0.0008","90","","90","","90","","2458.3","0.3","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H36 Br Cl3 Fe N -","- C16 H36 Br Cl3 Fe N -","- C64 H144 Br4 Cl12 Fe4 N4 -","4","0.5","","Li, Sanliang; Zhu, Bo; Lee, Richmond; Qiao, Baokun; Jiang, Zhiyong","Visible light-induced selective aerobic oxidative transposition of vinyl halides using a tetrahalogenoferrate(iii) complex catalyst","Organic Chemistry Frontiers","2018","5","3","380","","10.1039/C7QO00798A","","x-ray","1.54184","CuKα","","0.0724","0.0426","","","0.1123","0.1363","","","","","","1.026","","","","has coordinates,has disorder","236146","2020-10-21","18:00:00",""
"1553903","10.4684","0.0007","7.428","0.0004","18.7773","0.0011","90","","90.086","0.003","90","","1460.11","0.15","150","","150","","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 F -","- C24 H13 F -","- C96 H52 F4 -","4","1","","Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation","Organic Chemistry Frontiers","2018","5","3","398","","10.1039/C7QO00799J","","x-ray","0.71073","MoKα","","0.0962","0.0647","","","0.1592","0.1789","","","","","","1.047","","","","has coordinates,has disorder","236148","2020-10-21","18:00:00",""
"1553904","16.8237","0.0012","11.333","0.0007","10.2994","0.0008","90","","114.382","0.003","90","","1788.6","0.2","150","","150","","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Cl2 -","- C24 H14 Cl2 -","- C96 H56 Cl8 -","4","0.5","","Shi, Xinzhe; Roisnel, Thierry; Soulé, Jean-François; Doucet, Henri","Synthesis of mono- and di-arylated acenaphthylenes and programmed access to dibenzo[j,l]fluoranthenes via palladium-catalysed C‒H bond functionalisation","Organic Chemistry Frontiers","2018","5","3","398","","10.1039/C7QO00799J","","x-ray","0.71073","MoKα","","0.0404","0.0331","","","0.0828","0.0889","","","","","","1.039","","","","has coordinates","236148","2020-10-21","18:00:00",""
"1553905","17.47","0.004","5.702","0.0013","20.396","0.005","90","","114.211","0.004","90","","1853","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(4-julolidylidene)-4-phenylthiosemicarbazide","","","- C20 H22 N4 S -","- C20 H22 N4 S -","- C80 H88 N16 S4 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Fabbrizzi, Luigi; La Cognata, Sonia; Legnani, Laura; Lo Presti, Eliana; Mangano, Carlo; Miljkovic, Ana","Anion-induced isomerization of fluorescent semi(thio)carbazones","Organic Chemistry Frontiers","2018","5","3","391","","10.1039/C7QO00805H","","","0.7107","MoKα","","0.1167","0.0691","","","0.1993","0.2389","","","","","","1.004","","","","has coordinates","236150","2020-10-21","18:00:00",""
"1553906","17.0278","0.0009","8.4534","0.0005","14.668","0.0008","90","","110.034","0.002","90","","1983.59","0.19","301","2","301.2","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui","Enantioselective palladium-catalyzed C‒H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand","Organic Chemistry Frontiers","2018","5","4","611","","10.1039/C7QO00815E","","","1.54178","CuKα","","0.0703","0.064","","","0.1766","0.1844","","","","","","1.048","","","","has coordinates","236152","2020-10-21","18:00:00",""
"1553907","16.1979","0.0011","9.8887","0.0007","17.2384","0.0015","90","","100.854","0.002","90","","2711.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","FeCl2-OIP-iPr","","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C25.5 H35 Cl2 Fe N3 O1.5 -","- C102 H140 Cl8 Fe4 N12 O6 -","4","2","","Chen, Jianhui; Xi, Tuo; Lu, Zhan","10 gram-scale synthesis of a chiral oxazoline iminopyridine ligand and its applications","Organic Chemistry Frontiers","2018","5","2","247","","10.1039/C7QO00816C","","","0.71073","MoKα","","0.1689","0.0788","","","0.1317","0.1638","","","","","","1","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553908","8.277","0.002","19.206","0.006","11.294","0.004","90","","93.738","0.006","90","","1791.6","1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Br O2 -","- C21 H19 Br O2 -","- C84 H76 Br4 O8 -","4","1","","Qi, Jifeng; Zheng, Jing; Cui, Sunliang","Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization","Organic Chemistry Frontiers","2018","5","2","222","","10.1039/C7QO00817A","","","0.71073","MoKα","","0.1121","0.05","","","0.0829","0.1024","","","","","","1.003","","","","has coordinates","236155","2020-10-21","18:00:00",""
"1553909","8.914","0.01","9.542","0.011","13.652","0.015","86.106","0.014","80.322","0.012","67.976","0.012","1061","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H28 O2 -","- C26 H28 O2 -","- C52 H56 O4 -","2","1","","Qi, Jifeng; Zheng, Jing; Cui, Sunliang","Facile synthesis of carbo- and heterocycles via Fe(iii)-catalyzed alkene hydrofunctionalization","Organic Chemistry Frontiers","2018","5","2","222","","10.1039/C7QO00817A","","","0.71073","MoKα","","0.1976","0.1187","","","0.312","0.3561","","","","","","1.049","","","","has coordinates","236155","2020-10-21","18:00:00",""
"1553910","21.1618","0.0016","11.9414","0.0011","23.2097","0.0017","90","","90","","90","","5865.1","0.8","291","","291","","","","","","","","","4","P b c n","-P 2n 2ab","60","","7,16-[2,2'-(hexano-2,4-diyne-1,6-dioxy)-dibenzoylo]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecine","","- C38 H26 N4 O4 -","- C38 H26 N4 O4 -","- C304 H208 N32 O32 -","8","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0954","0.0404","","","0.0583","0.0619","","","","","","0.954","","","","has coordinates","236157","2020-10-21","18:00:00",""
"1553911","11.2639","0.0012","15.6341","0.0017","13.7495","0.0015","90","","110.204","0.002","90","","2272.3","0.4","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","{7,16-bis[2-(prop-2-yn-1-yloxy)benzoyl]-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecinato(2-)k^4^N} zinc(II)","","- C46 H50 N4 O8 S4 Zn -","- C46 H50 N4 O8 S4 Zn -","- C92 H100 N8 O16 S8 Zn2 -","2","1","","Zwoliński, K. M.; Sieroń, L.; Eilmes, J.","One-flask synthesis of dibenzotetraaza[14]annulene cyclic congeners bearing buta-1,3-diyne bridges","Organic Chemistry Frontiers","2018","5","2","171","","10.1039/C7QO00821J","","","0.71073","MoKα","","0.0275","0.0269","","","0.0703","0.0708","","","","","","1.011","","","","has coordinates,has disorder","236157","2020-10-21","18:00:00",""
"1553912","17.1209","0.001","6.8257","0.0005","14.2218","0.001","90","","100.2","0.003","90","","1635.72","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.8 H2.8 Br0.2 N0.2 O0.4 -","- C3.8 H2.8 Br0.2 N0.2 O0.4 -","- C76 H56 Br4 N4 O8 -","20","5","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C‒H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.71073","MoKα","","0.048","0.0357","","","0.0917","0.0987","","","","","","1.016","","","","has coordinates","236159","2020-10-21","18:00:00",""
"1553913","8.581","0.0017","10.888","0.002","11.352","0.002","93.19","0.03","106.92","0.03","90.49","0.03","1012.8","0.4","194","2","194","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N O2 Rh -","- C24 H28 N O2 Rh -","- C48 H56 N2 O4 Rh2 -","2","1","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C‒H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.7201","","","0.0697","0.0601","","","0.1666","0.1888","","","","","","1.105","","","","has coordinates","236159","2020-10-21","18:00:00",""
"1553914","7.1832","0.001","10.3531","0.0016","12.7041","0.0018","99.499","0.006","102.356","0.006","98.881","0.005","892.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C2.44 H1.78 N0.22 O0.22 -","- C2.44444 H1.77778 N0.222222 O0.222222 -","- C44 H32 N4 O4 -","18","9","","Chen, Changjun; Pan, Yixiao; Zhao, Haoqiang; Xu, Xin; Xu, Jianbin; Zhang, Zongyao; Xi, Siqi; Xu, Lijin; Li, Huanrong","A versatile rhodium(iii) catalyst for direct acyloxylation of aryl and alkenyl C‒H bonds with carboxylic acids","Organic Chemistry Frontiers","2018","5","3","415","","10.1039/C7QO00844A","","","0.71073","MoKα","","0.0429","0.0369","","","0.0949","0.0987","","","","","","1.052","","","","has coordinates","236159","2020-10-21","18:00:00",""
"1553915","30.962","0.005","10.076","0.0018","20.18","0.004","90","","121.016","0.004","90","","5395.5","1.7","205","","205","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C232 H256 O24 -","8","1","","Liu, Lina; Yuan, Zhenbo; Pan, Rui; Zeng, Yuye; Lin, Aijun; Yao, Hequan; Huang, Yue","1,6-Conjugated addition-mediated [4 + 1] annulation: an approach to 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","4","623","","10.1039/C7QO00846E","","","0.71073","MoKα","","0.11","0.0602","","","0.1559","0.1836","","","","","","0.962","","","","has coordinates","236161","2020-10-21","18:00:00",""
"1553916","10.1754","0.0007","13.7004","0.0008","13.8309","0.001","119.49","0.007","102.929","0.006","92.342","0.005","1609.7","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","2","","Daggupati, Ramana V.; Malapaka, Chandrasekharam","Cu(i)-Catalyzed amidation/imidation of N-arylglycine ester derivatives via C‒N coupling under mild conditions","Organic Chemistry Frontiers","2018","5","5","788","","10.1039/C7QO00851A","","x-ray","1.54184","CuKα","","0.057","0.0468","","","0.1497","0.1676","","","","","","1.1456","","","","has coordinates","236163","2020-10-21","18:00:00",""
"1553917","6.0881","0.0002","7.8709","0.0004","14.5993","0.0007","86.207","0.004","88.891","0.003","76.774","0.004","679.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C32 H30 N6 O4 -","2","1","","Zhu, Chuanle; Zeng, Hao; Chen, Fulin; Liu, Chi; Zhu, Rui; Wu, Wanqing; Jiang, Huanfeng","Copper-catalyzed coupling of oxime acetates and aryldiazonium salts: an azide-free strategy toward N-2-aryl-1,2,3-triazoles","Organic Chemistry Frontiers","2018","5","4","571","","10.1039/C7QO00874K","","x-ray","1.54184","CuKα","","0.0414","0.0396","","","0.1061","0.1077","","","","","","1.069","","","","has coordinates","236165","2020-10-21","18:00:00",""
"1553918","6.4301","0.0002","13.8923","0.0003","12.2241","0.0003","90","","103.031","0.002","90","","1063.85","0.05","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C56 H52 N4 -","2","0.5","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0444","0.0391","","","0.0983","0.1024","","","","","","1.063","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553919","9.0141","0.0007","12.9277","0.001","15.5179","0.0009","111.75","0.006","98.849","0.006","99.031","0.007","1613.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","- C80 H108 B4 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0891","0.0665","","","0.1693","0.1931","","","","","","1.05","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553920","17.2519","0.0002","10.4002","0.0001","18.7527","0.0002","90","","94.829","0.001","90","","3352.73","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B2 N2 -","- C40 H54 B2 N2 -","- C160 H216 B8 N8 -","4","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0727","0.0611","","","0.1623","0.17","","","","","","1.025","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553921","10.7137","0.0003","14.9388","0.0004","11.2075","0.0004","90","","101.824","0.003","90","","1755.7","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 B2 N2 -","- C44 H56 B2 N2 -","- C88 H112 B4 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0572","0.0464","","","0.096","0.1036","","","","","","1.039","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553922","13.3636","0.0003","12.765","0.0002","15.0491","0.0003","90","","111.844","0.002","90","","2382.85","0.09","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H29 B2 F20 N3 -","- C50 H29 B2 F20 N3 -","- C100 H58 B4 F40 N6 -","2","0.5","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","1.54184","CuKα","","0.0579","0.051","","","0.1688","0.1791","","","","","","1.094","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553923","11.196","0.005","13.488","0.007","19.102","0.011","102.11","0.02","104.06","0.02","108.18","0.02","2528","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H38 B2 F20 N2 -","- C60 H38 B2 F20 N2 -","- C120 H76 B4 F40 N4 -","2","1","","Grandl, Markus; Sun, Yu; Pammer, Frank","Electronic and structural properties of N →B-ladder boranes with high electron affinity","Organic Chemistry Frontiers","2018","5","3","336","","10.1039/C7QO00876G","","","0.71073","MoKα","","0.0487","0.041","","","0.0998","0.1044","","","","","","1.079","","","","has coordinates","236167","2020-10-21","18:00:00",""
"1553924","8.616","0.004","21.777","0.009","18.552","0.008","90","","100.259","0.009","90","","3425","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H37 Cl2 N3 O4 S2 -","- C35 H37 Cl2 N3 O4 S2 -","- C140 H148 Cl8 N12 O16 S8 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.1275","0.054","","","0.1211","0.1549","","","","","","1.01","","","","has coordinates","236169","2020-10-21","18:00:00",""
"1553925","24.106","0.003","8.4201","0.001","20.584","0.002","90","","90","","90","","4178","0.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.1417","0.0743","","","0.1769","0.2014","","","","","","0.846","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1553926","33.342","0.003","14.1163","0.0013","13.8882","0.0014","90","","113.533","0.002","90","","5993","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 N3 O4 S2 -","- C33 H33 N3 O4 S2 -","- C264 H264 N24 O32 S16 -","8","1","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.0784","0.0524","","","0.1319","0.1466","","","","","","1.046","","","","has coordinates","236169","2020-10-21","18:00:00",""
"1553927","20.618","0.002","12.7286","0.0014","11.5829","0.0013","90","","96.577","0.002","90","","3019.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N3 O4 S2 -","- C33 H33 N3 O4 S2 -","- C132 H132 N12 O16 S8 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons","Organic Chemistry Frontiers","2018","5","3","423","","10.1039/C7QO00882A","","","0.71073","MoKα","","0.0574","0.0436","","","0.1133","0.1233","","","","","","1.027","","","","has coordinates","236169","2020-10-21","18:00:00",""
"1553928","16.4746","0.0007","9.1306","0.0003","19.2167","0.0008","90","","113.764","0.005","90","","2645.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N3 -","- C36 H29 N3 -","- C144 H116 N12 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0512","0.0406","","","0.0952","0.1024","","","","","","1.021","","","","has coordinates","236172","2020-10-21","18:00:00",""
"1553929","9.0006","0.0003","13.4106","0.0007","13.9272","0.0004","73.859","0.004","78.251","0.003","71.617","0.004","1519.94","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.35 H35.05 N3 O1.67 -","- C40.3506 H35.053 N3 O1.675 -","- C80.7012 H70.106 N6 O3.35 -","2","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","x-ray","1.54184","CuKα","","0.06","0.0478","","","0.1249","0.1337","","","","","","1.04","","","","has coordinates,has disorder","236172","2020-10-21","18:00:00",""
"1553930","9.8591","0.0003","17.6789","0.0006","16.9614","0.0006","90","","96.753","0.003","90","","2935.83","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H29 N3 O2 -","- C39 H29 N3 O2 -","- C156 H116 N12 O8 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0712","0.052","","","0.1152","0.1249","","","","","","1.021","","","","has coordinates,has disorder","236172","2020-10-21","18:00:00",""
"1553931","9.7752","0.0005","18.4617","0.0008","18.0848","0.0009","90","","102.389","0.005","90","","3187.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H29 N3 -","- C43 H29 N3 -","- C172 H116 N12 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0534","0.0427","","","0.0926","0.0987","","","","","","1.017","","","","has coordinates","236172","2020-10-21","18:00:00",""
"1553932","9.9057","0.0003","18.2185","0.0005","17.9256","0.0005","90","","94.694","0.003","90","","3224.13","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N3 O -","- C44 H31 N3 O -","- C176 H124 N12 O4 -","4","1","","Filatov, A. S.; Knyazev, N. A.; Ryazantsev, M. N.; Suslonov, V. V.; Larina, A. G.; Molchanov, A. P.; Kostikov, R. R.; Boitsov, V. M.; Stepakov, A. V.","A highly diastereoselective one-pot three-component 1,3-dipolar cycloaddition of cyclopropenes with azomethine ylides generated from 11H-indeno[1,2-b]-quinoxalin-11-ones","Organic Chemistry Frontiers","2018","5","4","595","","10.1039/C7QO00888K","","","0.71073","MoKα","","0.0596","0.0442","","","0.0951","0.1036","","","","","","1.014","","","","has coordinates","236172","2020-10-21","18:00:00",""
"1553933","9.9528","0.001","5.6608","0.0006","10.1737","0.0008","90","","119.444","0.007","90","","499.16","0.09","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C20 H30 N2 O6 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Highly diastereoselective access to polyfunctionalized 1,3-oxazines promoted by Brønsted/Lewis acids","Organic Chemistry Frontiers","2018","5","4","566","","10.1039/C7QO00891K","","","0.71073","MoKα","","0.0356","0.0326","","","0.0793","0.0816","","","","","","1.044","","","","has coordinates","236174","2020-10-21","18:00:00",""
"1553934","6.934","0.0005","9.4461","0.0008","12.5549","0.0011","77.759","0.001","76.1","0.001","88.981","0.002","779.63","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C32 H28 O14 -","2","1","","Xu, Li-Chen; Zhou, Peng; Li, Jia-Zhuo; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Thiazolium salt-catalyzed [3 + 2 + 1] cyclization for the synthesis of trisubstituted 2-pyrones using arylglyoxals as a carbonyl source","Organic Chemistry Frontiers","2018","5","5","753","","10.1039/C7QO00899F","","","0.71073","MoKα","","0.1689","0.1071","","","0.2366","0.2612","","","","","","1.071","","","","has coordinates","236176","2020-10-21","18:00:00",""
"1553935","14.18","0.002","16.43","0.003","16.973","0.002","65.7","0.012","71.841","0.016","79.491","0.018","3417.8","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H63 F6 N8 O12 P S6 -","- C65 H63 F6 N8 O12 P S6 -","- C130 H126 F12 N16 O24 P2 S12 -","2","1","","Zhao, Meng-Yao; Guo, Qing-Hui; Wang, Mei-Xiang","Understanding the driving force for the molecular recognition of S6-corona[3]arene[3]pyridazine toward organic ammonium cations","Organic Chemistry Frontiers","2018","5","5","760","","10.1039/C7QO00900C","","","0.71073","MoKα","","0.1783","0.1451","","","0.32","0.3417","","","","","","1.207","","","","has coordinates,has disorder","236178","2020-10-21","18:00:00",""
"1553936","8.4287","0.0001","10.7538","0.0001","30.9419","0.0004","90","","90","","90","","2804.59","0.06","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N3 O5 P Ru -","- C26 H28 Cl2 N3 O5 P Ru -","- C104 H112 Cl8 N12 O20 P4 Ru4 -","4","1","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","","1.5418","CuKα","","0.053","0.0512","","","0.1296","0.1311","","","","","","1.069","","","","has coordinates","236180","2020-10-21","18:00:00",""
"1553937","28.3195","0.0004","28.3195","0.0004","8.539","0.0002","90","","90","","90","","6848.2","0.2","150","2","150","2","","","","","","","","7","P 4","P 4","75","","","","- C33 H30 Cl2 N3 O4 P Ru -","- C33 H30 Cl2 N3 O4 P Ru -","- C264 H240 Cl16 N24 O32 P8 Ru8 -","8","2","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","x-ray","1.5418","CuKα","","0.0515","0.0432","","","0.1131","0.1184","","","","","","1.062","","","","has coordinates","236180","2020-10-21","18:00:00",""
"1553938","31.825","0.009","31.825","0.009","8.303","0.002","90","","90","","90","","8410","4","296","2","296.15","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C432 H368 N48 O16 -","16","1","","Zhang, Chen; Pi, Junxia; Chen, Shu; Liu, Ping; Sun, Peipei","Construction of a 4H-pyrido[4,3,2-gh]phenanthridin-5(6H)-one skeleton via a catalyst-free radical cascade addition/cyclization using azo compounds as radical sources","Organic Chemistry Frontiers","2018","5","5","793","","10.1039/C7QO00926G","","","0.71073","MoKα","","0.0381","0.0329","","","0.0924","0.0969","","","","","","1.126","","","","has coordinates","236182","2020-10-21","18:00:00",""
"1553939","8.8464","0.0004","13.6195","0.0006","30.1026","0.0012","90","","90","","90","","3626.9","0.3","180","0.1","180","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","x-ray","0.71073","MoKα","","0.04","0.0365","","","0.0977","0.1005","","","","","","1.034","","","","has coordinates","236184","2020-10-21","18:00:00",""
"1553940","12.2864","0.0007","9.5206","0.0006","14.4288","0.0008","90","","96.731","0.006","90","","1676.16","0.17","180","0.1","180","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Si -","- C21 H20 Si -","- C84 H80 Si4 -","4","1","","Yang, Qi; Liu, Liang; Chi, Yue; Hao, Wei; Zhang, Wen-Xiong; Xi, Zhenfeng","Rhodium-catalyzed intramolecular carbosilylation of alkynes via C(sp3)‒Si bond cleavage","Organic Chemistry Frontiers","2018","5","5","860","","10.1039/C7QO00927E","","","0.71073","MoKα","","0.0575","0.0407","","","0.0958","0.1069","","","","","","1.074","","","","has coordinates","236184","2020-10-21","18:00:00",""
"1553941","9.297","0.007","11.515","0.009","11.957","0.009","61.974","0.007","80.333","0.011","67.602","0.01","1044.6","1.4","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H22 N2 O7 -","- C23 H22 N2 O7 -","- C46 H44 N4 O14 -","2","2","","Han, Jianxin; Niu, Sheng-Tong; Liu, Yushuang; Gan, Lishe; Wang, Tianfu; Lu, Chong-Dao; Yuan, Tao","Robustanoids A and B, two novel pyrrolo[2,3-b]indole alkaloids from Coffea canephora: isolation and total synthesis","Organic Chemistry Frontiers","2018","5","4","586","","10.1039/C7QO00931C","","","0.71073","MoKα","","0.0863","0.0699","","","0.1773","0.2","","","","","","1.028","","","","has coordinates","236186","2020-10-21","18:00:00",""
"1553942","7.483","0.002","12.28","0.004","13.156","0.004","73.055","0.004","75.131","0.005","76.779","0.005","1102.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N5 O -","- C28 H21 N5 O -","- C56 H42 N10 O2 -","2","1","","Gao, Qinghe; He, Shuang; Wu, Xia; Zhang, Jingjing; Bai, Suping; Wu, Yandong; Wu, Anxin","Selective access to dipyrazolo-fused pyridines via formal [3 + 2 + 1] heteroannulation of methyl ketones with pyrazol-5-amines","Organic Chemistry Frontiers","2018","5","5","765","","10.1039/C7QO00941K","","","0.71073","MoKα","","0.1131","0.0584","","","0.1352","0.1763","","","","","","0.885","","","","has coordinates","236188","2020-10-21","18:00:00",""
"1553943","9.6948","0.0002","10.6078","0.0003","14.8224","0.0004","105.266","0.001","103.77","0.002","93.623","0.002","1415.35","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C83 H54 Cl2 N2 O2 -","- C83 H54 Cl2 N2 O2 -","- C83 H54 Cl2 N2 O2 -","1","0.5","","Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D.","A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence","Organic Chemistry Frontiers","2018","5","4","640","","10.1039/C7QO00948H","","","0.71073","MoKα","","0.0984","0.085","","","0.2379","0.2508","","","","","","1.043","","","","has coordinates","236189","2020-10-21","18:00:00",""
"1553944","14.1223","0.0005","10.4359","0.0003","19.4476","0.0006","90","","97.282","0.002","90","","2843.05","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl2 N O3 -","- C34 H29 Cl2 N O3 -","- C136 H116 Cl8 N4 O12 -","4","1","","Marin, L.; Guillot, R.; Gandon, V.; Schulz, E.; Lebœuf, D.","A diversity-oriented synthesis of cyclopenta[b]pyrroles and related compounds through a calcium(ii)/copper(ii) catalytic sequence","Organic Chemistry Frontiers","2018","5","4","640","","10.1039/C7QO00948H","","","0.71073","MoKα","","0.1094","0.0556","","","0.1196","0.1434","","","","","","1.022","","","","has coordinates,has disorder","236189","2020-10-21","18:00:00",""
"1553945","6.18585","0.00012","19.014","0.0005","13.0299","0.0003","90","","104.086","0.0007","90","","1486.46","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl F4 N S -","- C13 H9 Br Cl F4 N S -","- C52 H36 Br4 Cl4 F16 N4 S4 -","4","1","","Das, Prajwalita; Takada, Masahiro; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio","Synthesis of pyridine trans-tetrafluoro-λ6-sulfane derivatives via radical addition","Organic Chemistry Frontiers","2018","5","5","719","","10.1039/C7QO00994A","","","0.71075","MoKα","","","0.0243","","","","0.0607","","","","","","1.095","","","","has coordinates","236191","2020-10-21","18:00:00",""
"1553946","24.908","0.003","13.4385","0.0017","8.7528","0.0013","90","","93.042","0.006","90","","2925.7","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C128 H96 Cl8 N8 O16 S8 -","8","1","","Zhao, Lang; Liao, Wei-Wei","Pd-Catalyzed intramolecular C‒H addition to the cyano-group: construction of functionalized 2,3-fused thiophene scaffolds","Organic Chemistry Frontiers","2018","5","5","801","","10.1039/C7QO01000A","","","0.71073","MoKα","","0.0507","0.0406","","","0.0937","0.1023","","","","","","1.021","","","","has coordinates","236193","2020-10-21","18:00:00",""
"1553947","9.5527","0.0003","12.362","0.0005","12.0679","0.0005","90","","92.577","0.003","90","","1423.66","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(8-quinolyl)-N-(2-tetrahydrofuranyl)propionamide","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Yue, Qiang; Xiao, Zhen; Ran, Ziyao; Yuan, Songdong; Zhang, Qian; Li, Dong","Copper-catalyzed α-C‒H amidation of simple ethers through C(sp3)‒H/N‒H cross dehydrogenative coupling","Organic Chemistry Frontiers","2018","5","6","967","","10.1039/C7QO01003F","","x-ray","1.54184","CuKα","","0.0642","0.048","","","0.1289","0.1442","","","","","","1.04","","","","has coordinates,has disorder","236195","2020-10-21","18:00:00",""
"1553948","13.1217","0.0007","8.2301","0.0004","15.9865","0.0009","90","","109.525","0.006","90","","1627.15","0.16","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 N2 O3.5 S -","- C17 H15.5 N2 O3.5 S -","- C68 H62 N8 O14 S4 -","4","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0764","0.0593","","","0.1473","0.1627","","","","","","1.015","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1553949","8.0275","0.0005","13.876","0.0008","31.686","0.003","90","","90","","90","","3529.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 N O3.5 -","- C19 H17 F3 N O3.5 -","- C152 H136 F24 N8 O28 -","8","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0494","0.0384","","","0.1104","0.1192","","","","","","0.853","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553950","10.4482","0.0002","7.41078","0.00018","13.6312","0.0004","90","","105.538","0.003","90","","1016.88","0.05","172.95","0.1","172.95","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","0.5","","Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin","Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes","Organic Chemistry Frontiers","2018","5","7","1096","","10.1039/C7QO01041A","","","1.54184","CuKα","","0.0309","0.03","","","0.0768","0.0778","","","","","","1.07","","","","has coordinates","236199","2020-10-21","18:00:00",""
"1553951","8.5997","0.0003","11.3141","0.0005","23.5957","0.0009","89.88","0.003","86.923","0.003","89.086","0.003","2292.21","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O3.5 Rh -","- C25 H30 N2 O3.5 Rh -","- C100 H120 N8 O14 Rh4 -","4","2","","Qin, Wen-Bing; Li, Wei-Wei; Zhu, Peng-Fei; Mo, Xiao-Gang; Zhang, Hui-Jun; Wen, Ting-Bin","Rh(iii)-Catalyzed regio- and stereoselective bisindolylation of vinyl acetate: an efficient approach toward (E)-1,2-bis(2-indolyl)ethenes","Organic Chemistry Frontiers","2018","5","7","1096","","10.1039/C7QO01041A","","","1.54184","CuKα","","0.0587","0.056","","","0.1369","0.1411","","","","","","1.052","","","","has coordinates","236199","2020-10-21","18:00:00",""
"1553952","31.277","0.009","16.691","0.005","10.668","0.003","90","","93.503","0.006","90","","5559","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.1099","0.0642","","","0.1494","0.1644","","","","","","1.046","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1553953","19.71","0.004","13.215","0.003","10.489","0.002","90","","103.753","0.003","90","","2653.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C88 H80 S28 Si8 -","4","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0446","0.0356","","","0.0985","0.1037","","","","","","1.087","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1553954","12.594","0.005","7.353","0.003","15.175","0.006","90","","90","","90","","1405.3","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0414","0.0314","","","0.0795","0.0832","","","","","","1.018","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1553955","11.5286","0.001","15.8164","0.0013","8.4588","0.0007","90","","110.19","0.001","90","","1447.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","1","","Liu, Xinming; Sun, Huiliang; Xu, Wan; Wan, Shisheng; Shi, Jianwu; Li, Chunli; Wang, Hua","Syntheses and structures of [7]helicene and double helicene based on dithieno[2,3-b:2′,3′-d]thiophene","Organic Chemistry Frontiers","2018","5","8","1257","","10.1039/C7QO01049D","","","0.71073","MoKα","","0.0442","0.0296","","","0.0691","0.0751","","","","","","1.024","","","","has coordinates","236200","2020-10-21","18:00:00",""
"1553956","11.566","0.001","31.513","0.003","12.0437","0.001","90","","92.279","0.002","90","","4386.2","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H49 Cl2 N3 O3 -","- C53 H49 Cl2 N3 O3 -","- C212 H196 Cl8 N12 O12 -","4","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.1575","0.1192","","","0.199","0.2111","","","","","","1.286","","","","has coordinates","236202","2020-10-21","18:00:00",""
"1553957","29.069","0.003","16.647","0.0018","23.834","0.003","90","","124.203","0.002","90","","9538.8","1.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.5 H49 Cl I N3 O5 -","- C50.5 H49 Cl I N3 O5 -","- C404 H392 Cl8 I8 N24 O40 -","8","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.0456","0.0367","","","0.0878","0.0913","","","","","","1.016","","","","has coordinates","236202","2020-10-21","18:00:00",""
"1553958","13.605","0.003","13.333","0.003","23.507","0.006","90","","101.393","0.006","90","","4180","1.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 N3 O3 -","- C52 H47 N3 O3 -","- C208 H188 N12 O12 -","4","1","","Krishnan, Jagadeesh; Jose, Anu; Sasidhar, B. S.; Suresh, E.; Menon, Rajeev S.; Nair, Vijay","An uncommon multicomponent reaction involving nucleophilic heterocyclic carbenes: facile synthesis of fully substituted cyclopentanones","Organic Chemistry Frontiers","2018","5","7","1202","","10.1039/C7QO01051F","","","0.71073","MoKα","","0.165","0.0784","","","0.1391","0.1724","","","","","","0.999","","","","has coordinates","236202","2020-10-21","18:00:00",""
"1553959","7.6879","0.0003","13.3936","0.0005","15.696","0.0006","90","","103.359","0.001","90","","1572.46","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Chen, Wei; Zhang, Yicheng; Li, Pinhua; Wang, Lei","tert-Butyl peroxybenzoate mediated formation of 3-alkylated quinolines from N-propargylamines via a cascade radical addition/cyclization reaction","Organic Chemistry Frontiers","2018","5","5","855","","10.1039/C7QO01052D","","","0.71073","MoKα","","0.0535","0.0399","","","0.0985","0.1099","","","","","","1.034","","","","has coordinates","236204","2020-10-21","18:00:00",""
"1553960","12.074","0.003","22.964","0.006","17.711","0.005","90","","93.931","0.005","90","","4899","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H51 Cl5 N4 O2 P2 Ru -","- C51 H51 Cl5 N4 O2 P2 Ru -","- C204 H204 Cl20 N16 O8 P8 Ru4 -","4","1","","Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj","ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols","Organic Chemistry Frontiers","2018","5","6","1008","","10.1039/C7QO01061C","","","0.71073","MoKα","","0.1545","0.0865","","","0.1957","0.2339","","","","","","1.137","","","","has coordinates","236206","2020-10-21","18:00:00",""
"1553961","24.447","0.006","12.95","0.003","7.9","0.0019","90","","90","","90","","2501.1","1","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H28 Cl F6 N4 P Ru -","- C22 H28 Cl F6 N4 P Ru -","- C88 H112 Cl4 F24 N16 P4 Ru4 -","4","1","","Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj","ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols","Organic Chemistry Frontiers","2018","5","6","1008","","10.1039/C7QO01061C","","","0.71073","MoKα","","0.0411","0.0357","","","0.082","0.0865","","","","","","1.041","","","","has coordinates","236206","2020-10-21","18:00:00",""
"1553962","9.679","0.003","19.168","0.006","21.719","0.007","90","","91.489","0.006","90","","4028","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl2 N4 P2 Ru -","- C48 H44 Cl2 N4 P2 Ru -","- C192 H176 Cl8 N16 P8 Ru4 -","4","1","","Roy, Bivas Chandra; Debnath, Subhankar; Chakrabarti, Kaushik; Paul, Bhaskar; Maji, Milan; Kundu, Sabuj","ortho-Amino group functionalized 2,2′-bipyridine based Ru(ii) complex catalysed alkylation of secondary alcohols, nitriles and amines using alcohols","Organic Chemistry Frontiers","2018","5","6","1008","","10.1039/C7QO01061C","","","0.71073","MoKα","","0.1188","0.0606","","","0.1423","0.1855","","","","","","0.952","","","","has coordinates","236206","2020-10-21","18:00:00",""
"1553963","8.0484","0.0007","10.6055","0.0009","21.9053","0.0018","90","","90","","90","","1869.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Li, Yun; Chen, Jingchao; He, Zhenxiu; Qin, Hongyu; Zhou, Yongyun; Khan, Ruhima; Fan, Baomin","Cobalt-catalyzed asymmetric reactions of heterobicyclic alkenes with in situ generated organozinc halides","Organic Chemistry Frontiers","2018","5","7","1108","","10.1039/C7QO01064H","","","0.71073","MoKα","","0.0286","0.0274","","","0.0727","0.0736","","","","","","1.086","","","","has coordinates","236208","2020-10-21","18:00:00",""
"1553964","14.839","0.004","17.596","0.004","8.652","0.002","90","","90","","90","","2259.1","1","173","2","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H27 Br O3 -","- C26 H27 Br O3 -","- C104 H108 Br4 O12 -","4","1","","Li, Shoulei; Liu, Bin; Chen, Li; Li, Xin; Cheng, Jin-Pei","N-Heterocyclic carbene promoted enantioselective desymmetrization reaction of diarylalkane-bisphenols","Organic Chemistry Frontiers","2018","5","7","1101","","10.1039/C7QO01083D","","","0.71073","MoKα","","0.055","0.048","","","0.0846","0.0877","","","","","","1.101","","","","has coordinates","236210","2020-10-21","18:00:00",""
"1553965","4.3504","0.0004","24.437","0.002","8.5476","0.0007","90","","102.442","0.002","90","","887.36","0.13","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Qiao, Kai; Zhang, Dong; Zhang, Kai; Yuan, Xin; Zheng, Ming-Wei; Guo, Tian-Fo; Fang, Zheng; Wan, Li; Guo, Kai","Iron(ii)-catalyzed C-2 cyanomethylation of indoles and pyrroles via direct oxidative cross-dehydrogenative coupling with acetonitrile derivatives","Organic Chemistry Frontiers","2018","5","7","1129","","10.1039/C7QO01086A","","","0.71073","MoKα","","0.0481","0.0449","","","0.1151","0.1186","","","","","","1.058","","","","has coordinates","236212","2020-10-21","18:00:00",""
"1553966","9.4077","0.0015","9.9254","0.0016","17.562","0.003","90","","90","","90","","1639.9","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-n-Butyl-4-phenyl-3,4-dihydro-2H-benzo[e][1,2]thiazine 1,1-dioxide","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Song, Bo; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams with two adjacent stereocenters via palladium-catalyzed dynamic kinetic resolution","Organic Chemistry Frontiers","2018","5","7","1113","","10.1039/C7QO01098B","","","0.71073","MoKα","","0.0932","0.0553","","","0.12","0.1375","","","","","","1.014","","","","has coordinates","236214","2020-10-21","18:00:00",""
"1553967","8.9388","0.0002","9.7832","0.0002","13.5584","0.0003","90","","107.86","0.003","90","","1128.54","0.05","294.5","0.7","294.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl F N O -","- C15 H7 Cl F N O -","- C60 H28 Cl4 F4 N4 O4 -","4","1","","Liu, Jianming; Yan, Xuyang; Liu, Na; Zhang, Yanyan; Zhao, Shufang; Wang, Xiaopei; Zhuo, Kelei; Yue, Yuanyuan","Elemental sulfur accelerated the reactivity of the 3-position of indole for the construction of chromeno[2,3-b]indoles","Organic Chemistry Frontiers","2018","5","6","1034","","10.1039/C7QO01114H","","x-ray","1.54184","CuKα","","0.0585","0.0567","","","0.141","0.1433","","","","","","1.047","","","","has coordinates","236215","2020-10-21","18:00:00",""
"1553968","9.2089","0.0003","10.5763","0.0004","10.9769","0.0004","100.503","0.003","95.221","0.003","91.16","0.003","1046.09","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines","Organic Chemistry Frontiers","2018","5","7","1160","","10.1039/C7QO01122A","","x-ray","1.54184","CuKα","","0.0418","0.0398","","","0.102","0.1039","","","","","","1.044","","","","has coordinates","236218","2020-10-21","18:00:00",""
"1553969","8.9683","0.0005","9.8217","0.0005","11.353","0.0007","75.074","0.005","77.458","0.005","63.345","0.005","857.59","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 F O2 -","- C23 H19 F O2 -","- C46 H38 F2 O4 -","2","1","","Luo, Hejiang; Liang, Renxiao; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa","A silver-catalyzed three-component reaction via stabilized cation: synthesis of polysubstituted tetrahydronaphthols and tetrahydronaphthylamines","Organic Chemistry Frontiers","2018","5","7","1160","","10.1039/C7QO01122A","","x-ray","0.71073","MoKα","","0.0681","0.0489","","","0.1073","0.1198","","","","","","1.034","","","","has coordinates","236218","2020-10-21","18:00:00",""
"1553970","29.1539","0.0005","14.0671","0.0003","24.2333","0.0007","90","","126.156","0.001","90","","8024.4","0.3","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H100 N4 Na4 O46 -","- C64 H84 N4 Na4 O46 -","- C256 H336 N16 Na16 O184 -","4","0.5","","Zhang, Yao; Yu, Shang-Bo; Yang, Bo; Wang, Hui; Zhang, Dan-Wei; Li, Zhan-Ting","Ion-pair electrostatic attraction-enhanced donor‒acceptor interactions between the prototypic 1,4-dialkoxybenzene-viologen binding mode in water","Organic Chemistry Frontiers","2018","5","6","1039","","10.1039/C7QO01126A","","","1.54178","CuKα","","0.1207","0.1053","","","0.2954","0.3094","","","","","","1.041","","","","has coordinates","236220","2020-10-21","18:00:00",""
"1553971","8.7382","0.0006","5.8569","0.0004","23.8346","0.0018","90","","91.141","0.001","90","","1219.58","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br F N O4 S -","- C10 H9 Br F N O4 S -","- C40 H36 Br4 F4 N4 O16 S4 -","4","1","","Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li","Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C‒H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams","Organic Chemistry Frontiers","2018","5","9","1411","","10.1039/C7QO01128H","","","0.71073","MoKα","","0.0627","0.0397","","","0.0926","0.0996","","","","","","1.043","","","","has coordinates","236222","2020-10-21","18:00:00",""
"1553972","8.6492","0.0009","6.7929","0.0008","25.645","0.003","90","","98.112","0.002","90","","1491.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F O5 S -","- C15 H11 F O5 S -","- C60 H44 F4 O20 S4 -","4","1","","Wang, Shi-Meng; Li, Chen; Leng, Jing; Bukhari, Syed Nasir Abbas; Qin, Hua-Li","Rhodium(iii)-catalyzed Oxidative Coupling of N-Methoxybenzamides and Ethenesulfonyl fluoride: a C‒H Bond Activation Strategy for the Preparation of 2-Aryl ethenesulfonyl fluorides and Sulfonyl fluoride Substituted γ-Lactams","Organic Chemistry Frontiers","2018","5","9","1411","","10.1039/C7QO01128H","","","0.71073","MoKα","","0.1039","0.0813","","","0.216","0.2291","","","","","","1.053","","","","has coordinates","236222","2020-10-21","18:00:00",""
"1553973","12.062","0.003","4.0452","0.0009","21.707","0.005","90","","90.12","0.02","90","","1059.2","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Reddy, Ganapam Manohar; Rao, Naidu Sambasiva; Maheswaran, H.","Highly meta-selective halogenation of 2-phenylpyridine with a ruthenium(i) catalyst","Organic Chemistry Frontiers","2018","5","7","1118","","10.1039/C7QO01133D","","","0.71073","MoKα","","0.1009","0.0419","","","0.076","0.0864","","","","","","0.776","","","","has coordinates","236224","2020-10-21","18:00:00",""
"1553974","8.799","0.0004","14.7395","0.0006","16.0279","0.0006","90","","90","","90","","2078.7","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N O -","- C24 H25 Cl2 N O -","- C96 H100 Cl8 N4 O4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.0259","0.0253","","","0.0677","0.0683","","","","","","1.026","","","","has coordinates","236225","2020-10-21","18:00:00",""
"1553975","5.6782","0.0002","8.5568","0.0003","38.5091","0.001","90","","90","","90","","1871.05","0.1","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C88 H92 N4 O4 S4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.042","0.0371","","","0.0905","0.0934","","","","","","1.047","","","","has coordinates","236225","2020-10-21","18:00:00",""
"1553976","10.5329","0.0009","10.3187","0.0008","18.4305","0.0016","90","","97.847","0.002","90","","1984.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O4 -","- C21 H20 N4 O4 -","- C84 H80 N16 O16 -","4","1","","Cao, Wen-Bin; Liu, Bei-Bei; Xu, Xiao-Ping; Ji, Shun-Jun","Cooperation of copper and dioxygen for the site-selective construction of benzo[1,5]diazocin-6(5H)-ones from indoles and enaminone analogues","Organic Chemistry Frontiers","2018","5","7","1194","","10.1039/C7QO01154G","","","0.71073","MoKα","","0.126","0.065","","","0.1819","0.2811","","","","","","1.003","","","","has coordinates","236227","2020-10-21","18:00:00",""
"1553977","11.9446","0.0012","13.7058","0.0014","19.238","0.002","90","","90","","90","","3149.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N O6 P S -","- C34 H28 N O6 P S -","- C136 H112 N4 O24 P4 S4 -","4","1","","Gu, Zheng; Zhou, Ji; Jiang, Guo-Fang; Zhou, Yong-Gui","Synthesis of chiral γ-aminophosphonates through the organocatalytic hydrophosphonylation of azadienes with phosphites","Organic Chemistry Frontiers","2018","5","7","1148","","10.1039/C7QO01158J","","","0.71073","MoKα","","0.0462","0.0322","","","0.0789","0.0874","","","","","","1.038","","","","has coordinates","236229","2020-10-21","18:00:00",""
"1553978","7.9384","0.0009","9.9744","0.0012","17.126","0.002","90","","90","","90","","1356","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.0732","0.0717","","","0.1684","0.1693","","","","","","1.246","","","","has coordinates","236231","2020-10-21","18:00:00",""
"1553979","12.6396","0.001","9.6186","0.0008","11.8318","0.0009","90","","103.394","0.001","90","","1399.33","0.19","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.0521","0.0445","","","0.1237","0.1298","","","","","","1.034","","","","has coordinates","236231","2020-10-21","18:00:00",""
"1553980","13.13","0.04","12.87","0.04","7.8","0.02","90","","105.51","0.02","90","","1270","6","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.1204","0.067","","","0.1725","0.2015","","","","","","1.032","","","","has coordinates","236231","2020-10-21","18:00:00",""
"1553981","29.8513","0.0007","27.0724","0.0007","28.996","0.0006","90","","90","","90","","23433","1","93","0.3","93","0.3","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0552","0.0418","","","0.0968","0.1033","","","","","","1.014","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553982","30.1004","0.0007","27.2979","0.0007","29.2079","0.0006","90","","90","","90","","23999.5","1","292.99","0.11","292.99","0.11","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.087","0.0536","","","0.1024","0.1154","","","","","","1.017","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553983","30.1847","0.0007","27.3736","0.0007","29.2444","0.0006","90","","90","","90","","24163.6","1","273","0.12","273","0.12","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0668","0.0427","","","0.085","0.0928","","","","","","1.019","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553984","29.9954","0.001","27.188","0.0009","29.1016","0.0007","90","","90","","90","","23732.8","1.3","183.01","0.1","183.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C104 H96 Au8 Cl10 P8 S2 -","- C104 H96 Au8 Cl10 P8 S2 -","- C832 H768 Au64 Cl80 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0554","0.0393","","","0.0879","0.0942","","","","","","1.024","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553985","30.1665","0.0011","27.3016","0.001","29.212","0.0008","90","","90","","90","","24058.8","1.4","243.01","0.1","243.01","0.1","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0837","0.0911","","","","","","0.975","","","","has coordinates","236261","2020-10-21","18:00:00",""
"1553986","19.878","0.002","19.878","0.002","27.361","0.003","90","","90","","120","","9362.8","1.7","173","2","173","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C150 H132 Au13 Cl5 P12 -","- C150 H132 Au13 Cl5 P12 -","- C300 H264 Au26 Cl10 P24 -","2","0.166667","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.084","0.0406","","","0.0815","0.0943","","","","","","0.97","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553987","27.105","0.006","29.82","0.007","28.748","0.006","90","","90","","90","","23236","9","173.15","","173.15","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C102 H92 Au8 Cl6 P8 S2 -","- C102 H92 Au8 Cl6 P8 S2 -","- C816 H736 Au64 Cl48 P64 S16 -","8","0.5","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","","0.71073","MoKα","","0.1037","0.0542","","","0.1279","0.1549","","","","","","1.038","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553988","17.4438","0.0003","19.0667","0.0004","24.5099","0.0004","86.385","0.001","84.399","0.001","84.413","0.001","8062.6","0.3","93","0.1","93","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H138 Au13 Cl F24 P16 -","- C156 H138 Au13 Cl F24 P16 -","- C312 H276 Au26 Cl2 F48 P32 -","2","1","","Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di","Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters.","Chemical science","2018","9","5","1251","1258","10.1039/c7sc03566g","","x-ray","0.71073","MoKα","","0.0694","0.046","","","0.0988","0.1087","","","","","","1.023","","","","has coordinates","236264","2020-10-21","18:00:00",""
"1553989","11.3282","0.0002","14.2177","0.0003","14.6725","0.0003","90","","98.096","0.002","90","","2339.61","0.08","149.95","0.1","149.95","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B2 Co F8 N6 O2 -","- C20 H20 B2 Co F8 N6 O2 -","- C80 H80 B8 Co4 F32 N24 O8 -","4","1","","Queyriaux, N.; Giannoudis, E.; Windle, C. D.; Roy, S.; Pécaut, J.; Coutsolelos, A. G.; Artero, V.; Chavarot-Kerlidou, M.","A noble metal-free photocatalytic system based on a novel cobalt tetrapyridyl catalyst for hydrogen production in fully aqueous medium","Sustainable Energy & Fuels","2018","2","3","553","","10.1039/C7SE00428A","","x-ray","0.71073","MoKα","","0.0547","0.0384","","","0.0781","0.0846","","","","","","1.033","","","","has coordinates,has disorder","236268","2020-10-21","18:00:00",""
"1553990","17.9676","0.0003","25.7114","0.0006","27.222","0.0005","90","","90","","90","","12575.8","0.4","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C48H40P2Mo3S7Br6","","- C48 H40 Br6 Mo3 P2 S7 -","- C48 H40 Br6 Mo3 P2 S7 -","- C384 H320 Br48 Mo24 P16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0668","0.0451","","","0.1182","0.1266","","","","","","1.135","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1553991","18.3547","0.0003","18.62","0.0003","29.2421","0.0005","90","","90","","90","","9993.9","0.3","150.05","0.1","150.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","C32H72Cl6Mo3S7N2","","- C32 H72 Cl6 Mo3 N2 S7 -","- C32 H72 Cl6 Mo3 N2 S7 -","- C256 H576 Cl48 Mo24 N16 S56 -","8","1","","Dave, M.; Rajagopal, A.; Damm-Ruttensperger, M.; Schwarz, B.; Nägele, F.; Daccache, L.; Fantauzzi, D.; Jacob, T.; Streb, C.","Understanding homogeneous hydrogen evolution reactivity and deactivation pathways of molecular molybdenum sulfide catalysts","Sustainable Energy & Fuels","2018","2","5","1020","","10.1039/C7SE00599G","","x-ray","0.71073","MoKα","","0.0881","0.0641","","","0.1665","0.1858","","","","","","1.067","","","","has coordinates","236270","2020-10-21","18:00:00",""
"1554048","22.184","0.003","9.3308","0.0011","8.3408","0.001","90","","93.793","0.002","90","","1722.7","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go","Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study.","The journal of physical chemistry. B","2018","122","46","10615","10626","10.1021/acs.jpcb.8b07653","","","0.71073","MoKα","","0.0765","0.0434","","","0.1208","0.145","","","","","","0.894","","","","has coordinates","236494","2020-10-21","18:00:00",""
"1554049","8.3747","0.0007","7.8561","0.0006","14.2286","0.0012","90","","100.751","0.001","90","","919.7","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Br O6 Ru -","- C17 H18 Br O6 Ru -","- C34 H36 Br2 O12 Ru2 -","2","1","","Yoshida, Jun; Tamura, Syuhei; Hoshino, Keisuke; Yuge, Hidetaka; Sato, Hisako; Yamazaki, Akane; Yoneda, Shigetaka; Watanabe, Go","Comprehensive Understanding of Host- and Guest-Dependent Helix Inversion in Chiral Nematic Liquid Crystals: Experimental and Molecular Dynamics Simulation Study.","The journal of physical chemistry. B","2018","122","46","10615","10626","10.1021/acs.jpcb.8b07653","","","0.71073","MoKα","","0.0212","0.0199","","","0.0455","0.0459","","","","","","0.826","","","","has coordinates","236496","2020-10-21","18:00:00",""
"1554050","5.0746","0.0004","22.6735","0.0013","9.7382","0.0006","90","","91.266","0.006","90","","1120.19","0.13","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 F2 Li N O6 S3 -","- C4 H8 F2 Li N O6 S3 -","- C16 H32 F8 Li4 N4 O24 S12 -","4","1","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","x-ray","0.71073","MoKα","","0.0935","0.0523","","","0.1374","0.1627","","","","","","0.954","","","","has coordinates","236498","2020-10-21","18:00:00",""
"1554051","5.156","0.0011","8.8536","0.0017","18.337","0.003","90","","90","","90","","837.1","0.3","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 B F4 Li O2 S -","- C4 H8 B F4 Li O2 S -","- C16 H32 B4 F16 Li4 O8 S4 -","4","1","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","x-ray","0.71073","MoKα","","0.0529","0.0447","","","0.1128","0.1177","","","","","","0.88","","","","has coordinates","236500","2020-10-21","18:00:00",""
"1554052","8.7664","0.0013","8.5519","0.0019","19.416","0.005","90","","94.157","0.016","90","","1451.8","0.5","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Cl Li O10 S -","- C6.4 H12.8 Cl0.8 Li0.8 O6.4 S1.6 -","- C32 H64 Cl4 Li4 O32 S8 -","5","1.25","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","","0.71073","MoKα","","0.205","0.084","","","0.1761","0.2298","","","","","","1.01","","","","has coordinates","236502","2020-10-21","18:00:00",""
"1554102","9.0071","0.0016","15.226","0.003","15.753","0.003","90","","90","","90","","2160.4","0.7","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","0.5","","Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations","The Journal of Physical Chemistry C","2018","122","17","9339","","10.1021/acs.jpcc.8b02184","","","0.71073","MoKα","","0.0841","0.0521","","","0.1361","0.1559","","","","","","1.005","","","","has coordinates","236575","2020-10-21","18:00:00",""
"1554103","8.0069","0.0008","15.6265","0.0016","17.2565","0.0018","90","","95.002","0.002","90","","2150.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl6 O4 Sb -","- C48 H44 Cl6 O4 Sb -","- C96 H88 Cl12 O8 Sb2 -","2","0.5","","Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations","The Journal of Physical Chemistry C","2018","122","17","9339","","10.1021/acs.jpcc.8b02184","","","0.71073","MoKα","","0.0729","0.0415","","","0.0851","0.0965","","","","","","1.015","","","","has coordinates","236576","2020-10-21","18:00:00",""
"1554104","24.449","0.004","15.41","0.002","26.186","0.004","90","","110.194","0.002","90","","9259","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26.77 H27.55 Cl7.55 O4 Sb -","- C26.774 H27.548 Cl7.548 O4 Sb -","- C321.288 H330.576 Cl90.576 O48 Sb12 -","12","3","","Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations","The Journal of Physical Chemistry C","2018","122","17","9339","","10.1021/acs.jpcc.8b02184","","","0.71073","MoKα","","0.1848","0.0724","","","0.1442","0.1879","","","","","","1.016","","","","has coordinates,has disorder","236577","2020-10-21","18:00:00",""
"1554105","15.3874","0.0003","12.9063","0.0003","8.8","0.0002","90","","92.315","0.001","90","","1746.2","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Ivanova, Lena V.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Probing Charge Delocalization in Solid State Polychromophoric Cation Radicals Using X-ray Crystallography and DFT Calculations","The Journal of Physical Chemistry C","2018","122","17","9339","","10.1021/acs.jpcc.8b02184","","","1.54178","CuKα","","0.0363","0.0347","","","0.0972","0.0988","","","","","","0.997","","","","has coordinates","236579","2020-10-21","18:00:00",""
"1554106","17.9035","0.0007","4.6373","0.0002","17.9058","0.0007","90","","92.1361","0.0014","90","","1485.58","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C76 H92 N4 -","2","0.5","","Más-Montoya, Miriam; Georgakopoulos, Stamatis; Cerón-Carrasco, José Pedro; Pérez, José; Tárraga, Alberto; Curiel, David","Structure‒Property Correlation behind the High Mobility of Carbazolocarbazole","The Journal of Physical Chemistry C","2018","122","22","11736","","10.1021/acs.jpcc.8b03878","","","0.71073","MoKα","","0.0553","0.0411","","","0.0974","0.1049","","","","","","1.031","","","","has coordinates","236580","2020-10-21","18:00:00",""
"1554107","7.2423","0.0002","13.4771","0.0003","16.3116","0.0005","110.15","0.002","97.962","0.002","101.905","0.002","1423.93","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 Cl8 O8 -","- C60 H62 Cl8 O8 -","- C60 H62 Cl8 O8 -","1","0.5","","Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra","Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis","The Journal of Physical Chemistry C","2018","122","43","24527","","10.1021/acs.jpcc.8b06068","","","1.54178","CuKα","","0.0364","0.0337","","","0.0888","0.0908","","","","","","1.009","","","","has coordinates,has disorder","236582","2020-10-21","18:00:00",""
"1554108","9.8693","0.0005","13.3894","0.0006","14.5898","0.0007","102.43","0.003","95.186","0.002","106.663","0.003","1779.7","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H66 Cl18 O8 Sb -","- C62 H66 Cl18 O8 Sb -","- C62 H66 Cl18 O8 Sb -","1","0.5","","Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra","Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis","The Journal of Physical Chemistry C","2018","122","43","24527","","10.1021/acs.jpcc.8b06068","","","1.54178","CuKα","","0.0613","0.0532","","","0.1389","0.1452","","","","","","1.004","","","","has coordinates,has disorder","236584","2020-10-21","18:00:00",""
"1554109","31.8593","0.0016","8.0078","0.0004","51.818","0.003","90","","97.15","0.003","90","","13117.2","1.2","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C48 H38 -","- C48 H38 -","- C768 H608 -","16","4","","Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra","Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis","The Journal of Physical Chemistry C","2018","122","43","24527","","10.1021/acs.jpcc.8b06068","","","1.54178","CuKα","","0.0656","0.0562","","","0.1378","0.144","","","","","","1.024","","","","has coordinates","236586","2020-10-21","18:00:00",""
"1554110","9.8602","0.0003","10.0886","0.0002","14.1215","0.0003","71.273","0.001","74.028","0.001","61.981","0.001","1161.38","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H42 Cl10 Sb -","- C50 H42 Cl10 Sb -","- C50 H42 Cl10 Sb -","1","0.5","","Ivanov, Maxim V.; Shukla, Ruchi; Lindeman, Sergey V.; Wang, Denan; Rathore, Rajendra","Pyrene-Like HOMO Governs Polaron Delocalization in Model Graphitic Strips: A Combined Experimental and Computational Analysis","The Journal of Physical Chemistry C","2018","122","43","24527","","10.1021/acs.jpcc.8b06068","","","1.54178","CuKα","","0.0251","0.0242","","","0.0636","0.0643","","","","","","1.003","","","","has coordinates","236588","2020-10-21","18:00:00",""
"1554111","11.7088","0.0013","5.4866","0.0006","12.494","0.0015","90","","100.697","0.012","90","","788.69","0.16","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-O form (I)","","","- C6 H7 N3 O S -","- C6 H7 N3 O S -","- C24 H28 N12 O4 S4 -","4","1","","Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng","Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups","The Journal of Physical Chemistry C","2018","122","43","24933","","10.1021/acs.jpcc.8b07408","","","0.71073","MoKα","","0.0741","0.0484","","","0.1311","0.1466","","","","","","1.047","","","","has coordinates","236589","2020-10-21","18:00:00",""
"1554112","11.708","0.003","5.4645","0.0009","12.461","0.003","90","","100.72","0.02","90","","783.3","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-O form (II)","","","- C6 H7 N3 O S -","- C6 H7 N3 O S -","- C24 H28 N12 O4 S4 -","4","1","","Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng","Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups","The Journal of Physical Chemistry C","2018","122","43","24933","","10.1021/acs.jpcc.8b07408","","","0.71073","MoKα","","0.2077","0.1109","","","0.2498","0.3211","","","","","","1.027","","","","has coordinates","236589","2020-10-21","18:00:00",""
"1554113","13.571","0.002","5.8222","0.001","21.393","0.004","90","","96.499","0.002","90","","1679.5","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-H form (I)","","","- C6 H7 N3 S2 -","- C6 H7 N3 S2 -","- C48 H56 N24 S16 -","8","2","","Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng","Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups","The Journal of Physical Chemistry C","2018","122","43","24933","","10.1021/acs.jpcc.8b07408","","","0.71073","MoKα","","0.096","0.0471","","","0.0909","0.1092","","","","","","1.007","","","","has coordinates","236591","2020-10-21","18:00:00",""
"1554114","13.676","0.005","5.846","0.002","21.421","0.008","90","","95.877","0.005","90","","1703.6","1.1","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-H form (II)","","","- C6 H7 N3 S2 -","- C6 H7 N3 S2 -","- C48 H56 N24 S16 -","8","2","","Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng","Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups","The Journal of Physical Chemistry C","2018","122","43","24933","","10.1021/acs.jpcc.8b07408","","","0.71073","MoKα","","0.1528","0.076","","","0.2121","0.2576","","","","","","1.04","","","","has coordinates","236591","2020-10-21","18:00:00",""
"1554115","13.5702","0.0019","5.8215","0.0008","21.396","0.003","90","","96.44","0.002","90","","1679.6","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-H form (III)","","","- C6 H7 N3 S2 -","- C6 H7 N3 S2 -","- C48 H56 N24 S16 -","8","2","","Ding, Sheng; Lin, He; Yu, Yuming; Liu, Lang; Deng, Caiming; Zhao, Jianzhang; Jia, Dianzeng","Molecular Orbital Delocalization/Localization-Induced Crystal-to-Crystal Photochromism of Schiff Bases without ortho-Hydroxyl Groups","The Journal of Physical Chemistry C","2018","122","43","24933","","10.1021/acs.jpcc.8b07408","","","0.71073","MoKα","","0.0655","0.0395","","","0.086","0.0976","","","","","","1.049","","","","has coordinates","236591","2020-10-21","18:00:00",""
"1554116","8.283","0.002","12.815","0.004","16.686","0.004","67.954","0.007","78.039","0.006","84.714","0.007","1605.8","0.7","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H17 N5 S2 -","- C34 H17 N5 S2 -","- C68 H34 N10 S4 -","2","1","","Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao","Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On","The Journal of Physical Chemistry C","2018","122","51","29488","","10.1021/acs.jpcc.8b10118","","","0.71073","MoKα","","0.09","0.0745","","","0.2183","0.2263","","","","","","1.086","","","","has coordinates","236593","2020-10-21","18:00:00",""
"1554117","10.649","0.01","11.826","0.011","17.306","0.016","109.939","0.014","100.431","0.015","92.727","0.014","2001","3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 Cl3 N4 S -","- C45 H27 Cl3 N4 S -","- C90 H54 Cl6 N8 S2 -","2","1","","Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao","Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On","The Journal of Physical Chemistry C","2018","122","51","29488","","10.1021/acs.jpcc.8b10118","","","0.71073","MoKα","","0.1322","0.0651","","","0.1668","0.1956","","","","","","0.904","","","","has coordinates","236593","2020-10-21","18:00:00",""
"1554118","10.498","0.004","11.83","0.004","18.204","0.006","105.686","0.006","91.636","0.007","93.649","0.006","2169.7","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H26 N4 S -","- C44 H26 N4 S -","- C88 H52 N8 S2 -","2","1","","Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao","Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On","The Journal of Physical Chemistry C","2018","122","51","29488","","10.1021/acs.jpcc.8b10118","","","0.71073","MoKα","","0.2039","0.0925","","","0.1893","0.2149","","","","","","0.972","","","","has coordinates","236593","2020-10-21","18:00:00",""
"1554119","8.248","0.003","12.91","0.004","16.731","0.005","112.308","0.005","97.811","0.004","94.47","0.005","1616.5","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H17 N5 S2 -","- C34 H17 N5 S2 -","- C68 H34 N10 S4 -","2","1","","Peng, Yu-Xin; Gan, Yi-Tao; Shi, Rong-Guang; Huang, Wei; Tao, Tao","Construction of a Layered Hydrogen-Bonded Organic Framework Showing High-Contrast Mechanoresponsive Luminescence Turn-On","The Journal of Physical Chemistry C","2018","122","51","29488","","10.1021/acs.jpcc.8b10118","","","0.71073","MoKα","","0.1047","0.0685","","","0.1934","0.2143","","","","","","0.982","","","","has coordinates","236595","2020-10-21","18:00:00",""
"1554120","12.9552","0.0004","12.9939","0.0004","20.0294","0.0007","90","","90","","90","","3371.72","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C43 H36 N2 O2 S -","- C43 H36 N2 O2 S -","- C172 H144 N8 O8 S4 -","4","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0352","0.0296","","","0.0692","0.0712","","","","","","1.046","","","","has coordinates,has disorder","236597","2020-10-21","18:00:00",""
"1554121","13.3299","0.0007","18.653","0.001","12.4216","0.0007","90","","105.127","0.0019","90","","2981.5","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-Bis(diphenylamino)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C39 H32 N2 O2 S -","- C39 H32 N2 O2 S -","- C156 H128 N8 O8 S4 -","4","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.056","0.0394","","","0.0886","0.0973","","","","","","1.023","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554122","12.4874","0.0006","13.7988","0.0007","18.8029","0.0009","76.4901","0.0019","75.159","0.0018","83.1146","0.0019","3039","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","3,6-Bis(diphenylamino)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C39 H32 N2 O2 S -","- C39 H32 N2 O2 S -","- C156 H128 N8 O8 S4 -","4","2","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0707","0.0429","","","0.0995","0.1087","","","","","","1.035","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554123","12.8953","0.0006","16.0322","0.0007","32.3384","0.0014","90","","90","","90","","6685.6","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(diphenylamino)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C41.7 H38.28 Cl0.12 N2 O2 S -","- C333.6 H306.24 Cl0.96 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0527","0.0369","","","0.0831","0.0907","","","","","","1.034","","","","has coordinates,has disorder","236597","2020-10-21","18:00:00",""
"1554124","16.8912","0.0006","11.396","0.0004","37.1194","0.0014","90","","90","","90","","7145.2","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.6889","synchrotron","","0.1134","0.0846","","","0.2421","0.2726","","","","","","1.041","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554125","16.9973","0.0007","11.406","0.0005","37.216","0.0016","90","","90","","90","","7215.1","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, dichloromethane solvate","","- C44 H38 Cl2 N2 O2 S -","- C44 H38 Cl2 N2 O2 S -","- C352 H304 Cl16 N16 O16 S8 -","8","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","1.54184","CuKα","","0.075","0.0534","","","0.1247","0.1337","","","","","","1.064","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554126","11.721","0.004","11.304","0.004","27.587","0.01","90","","96.745","0.006","90","","3630","2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide, acetone solvate","","- C46 H42 N2 O3 S -","- C46 H42 N2 O3 S -","- C184 H168 N8 O12 S4 -","4","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","1.54184","CuKα","","0.2137","0.0809","","","0.1593","0.2109","","","","","","0.976","","","","has coordinates","236597","2020-10-21","18:00:00",""
"1554172","11.582","0.003","17.782","0.004","25.537","0.006","90","","90","","90","","5259","2","100","","100","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C34 H28 Cl2 Hf -","- C34 H28 Cl2 Hf -","- C272 H224 Cl16 Hf8 -","8","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","x-ray","0.71073","MoKα","","0.0656","0.0418","","","0.0625","0.0694","","","","","","1.162","","","","has coordinates,has disorder","236724","2020-10-21","18:00:00",""
"1554173","9.7645","0.0005","14.7201","0.0007","13.8849","0.0008","90","","100.805","0.002","90","","1960.36","0.18","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl2 Hf -","- C25 H20 Cl2 Hf -","- C100 H80 Cl8 Hf4 -","4","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","x-ray","0.71073","MoKα","","0.0134","0.0127","","","0.026","0.0262","","","","","","1.177","","","","has coordinates","236724","2020-10-21","18:00:00",""
"1554174","28.757","0.005","14.932","0.003","15.353","0.003","90","","93.341","0.005","90","","6581","2","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 Cl2 Hf -","- C39 H28 Cl2 Hf -","- C312 H224 Cl16 Hf8 -","8","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","x-ray","0.71073","MoKα","","0.0405","0.0282","","","0.0515","0.0541","","","","","","1.016","","","","has coordinates","236724","2020-10-21","18:00:00",""
"1554175","14.378","0.0003","14.7549","0.0003","14.6714","0.0003","90","","115.446","0.0008","90","","2810.55","0.1","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl2 Hf -","- C33 H26 Cl2 Hf -","- C132 H104 Cl8 Hf4 -","4","1","","Machat, Martin R.; Lanzinger, Dominik; Drees, Markus; Altmann, Philipp J.; Herdtweck, Eberhardt; Rieger, Bernhard","High-Melting, Elastic Polypropylene: A One-Pot, One-Catalyst Strategy toward Propylene-Based Thermoplastic Elastomers","Macromolecules","2018","51","3","914","","10.1021/acs.macromol.7b02679","","","0.71073","MoKα","","0.0121","0.0116","","","0.0295","0.0297","","","","","","1.052","","","","has coordinates","236724","2020-10-21","18:00:00",""
"1554183","33.802","0.003","7.3184","0.0009","33.855","0.005","90","","100.321","0.008","90","","8239.4","1.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 I2 -","- C28 H20 I2 -","- C392 H280 I28 -","14","3.5","","Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick","Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.","Nano letters","2018","18","6","3780","3784","10.1021/acs.nanolett.8b00956","","","0.71073","MoKα","","0.1012","0.0402","","","0.0664","0.0747","","","","","","0.994","","","","has coordinates","236741","2020-10-21","18:00:00",""
"1554184","10.0535","0.0008","7.3424","0.0005","16.0744","0.0015","90","","91.669","0.006","90","","1186.06","0.17","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 I2 -","- C28 H20 I2 -","- C56 H40 I4 -","2","0.5","","Simonov, Sergey; Zorina, Leokadiya; Wzietek, Pawel; Rodríguez-Fortea, Antonio; Canadell, Enric; Mézière, Cécile; Bastien, Guillaume; Lemouchi, Cyprien; Garcia-Garibay, Miguel A; Batail, Patrick","Static Modulation Wave of Arrays of Halogen Interactions Transduced to a Hierarchy of Nanoscale Change Stimuli of Crystalline Rotors Dynamics.","Nano letters","2018","18","6","3780","3784","10.1021/acs.nanolett.8b00956","","","0.71073","MoKα","","0.0459","0.0303","","","0.0593","0.0629","","","","","","1.011","","","","has coordinates","236743","2020-10-21","18:00:00",""
"1554189","10.0354","0.0005","12.4751","0.0012","22.059","0.0013","90","","93.55","0.004","90","","2756.3","0.3","","","99.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 O3 P Ru -","- C29 H31 Cl2 O3 P Ru -","- C116 H124 Cl8 O12 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","1.54178","CuKα","","0.028","0.0251","","","0.0624","0.0641","","","","","","1.0449","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554190","16.387","0.013","27.97","0.02","26.66","0.02","90","","101.396","0.015","90","","11979","16","100","2","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C123.3 Cl8 O8 P4 Ru4 Zn2 -","- C123.28 Cl8 O8 P4 Ru4 Zn2 -","- C493.12 Cl32 O32 P16 Ru16 Zn8 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.1649","0.0811","","","0.2023","0.2562","","","","","","1.008","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554191","10.595","0.002","12.873","0.003","18.387","0.004","90","","106.74","","90","","2401.5","0.9","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl2 O2 P Ru -","- C25 H29 Cl2 O2 P Ru -","- C100 H116 Cl8 O8 P4 Ru4 -","4","1","","Amenuvor, Gershon; Darkwa, James; Makhubela, Banothile C. E.","Homogeneous polymetallic ruthenium(ii)^zinc(ii) complexes: robust catalysts for the efficient hydrogenation of levulinic acid to γ-valerolactone","Catalysis Science & Technology","2018","8","9","2370","","10.1039/C8CY00265G","","","0.71073","MoKα","","0.0874","0.042","","","0.0624","0.0714","","","","","","0.577","","","","has coordinates","236817","2020-10-21","18:00:00",""
"1554194","12.8613","0.0001","18.9007","0.0002","20.5254","0.0002","90","","102.991","0.001","90","","4861.77","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cu3 N O15 P2 -","- C31 H26 Cu3 N O15 P2 -","- C124 H104 Cu12 N4 O60 P8 -","4","1","","Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong","Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations","Materials Chemistry Frontiers","2018","2","8","1436","","10.1039/C8QM00029H","","","1.54184","CuKα","","0.0506","0.0457","","","0.1203","0.1227","","","","","","1.018","","","","has coordinates","237009","2020-10-21","18:00:00",""
"1554195","11.302","0.0002","13.5426","0.0002","15.7763","0.0002","90","","90","","90","","2414.7","0.06","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C28 H16 Mg3 N0 O16 P2 -","- C28 H16 Mg3 O16 P2 -","- C56 H32 Mg6 O32 P4 -","2","0.25","","Li, Lan; Yin, Qi; Li, Hong-Fang; Liu, Tian-Fu; Cao, Rong","Rational design of phosphonocarboxylate metal‒organic frameworks for light hydrocarbon separations","Materials Chemistry Frontiers","2018","2","8","1436","","10.1039/C8QM00029H","","","1.54184","CuKα","","0.0827","0.0765","","","0.2051","0.2102","","","","","","1.097","","","","has coordinates","237009","2020-10-21","18:00:00",""
"1554196","13.3247","0.0007","16.6349","0.0009","19.0232","0.0008","93.227","0.003","97.302","0.003","103.143","0.003","4057","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H52 N2 O4 -","- C52 H51 N2 O4 -","- C208 H204 N8 O16 -","4","2","","Xin, Hanshen; Li, Jing; Ge, Congwu; Yang, Xiaodi; Xue, Tianrui; Gao, Xike","6,6′-Diaryl-substituted biazulene diimides for solution-processable high-performance n-type organic semiconductors","Materials Chemistry Frontiers","2018","2","5","975","","10.1039/C8QM00047F","","","1.54178","CuKα","","0.1758","0.0976","","","0.2346","0.2647","","","","","","1.347","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554197","22.853","0.003","23.83","0.003","18.909","0.002","90","","90","","90","","10298","2","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","Ir(tfmpqz)2(tpip)","Bis(4-(3,5-bis(trifluoromethyl)phenyl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)","","- C56 H34 F12 Ir N5 O2 P2 -","- C56 H34 F12 Ir N5 O2 P2 -","- C448 H272 F96 Ir8 N40 O16 P16 -","8","1","","Han, Hua-Bo; Ma, Xiao-Feng; Wu, Zheng-Guang; Zheng, You-Xuan","Highly efficient yellow electroluminescence of iridium complexes with good electron mobility","Materials Chemistry Frontiers","2018","2","7","1284","","10.1039/C8QM00060C","","","0.71073","MoKα","","0.1017","0.0389","","","0.0665","0.0837","","","","","","0.989","","","","has coordinates","237012","2020-10-21","18:00:00",""
"1554198","10.5053","0.0014","11.0003","0.0018","14.675","0.002","79.575","0.005","87.376","0.004","86.965","0.005","1664.4","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","Gold-complex","","- C30 H24 Au2 F10 N2 O5 -","- C30 H23 Au2 F10 N2 O5 -","- C60 H46 Au4 F20 N4 O10 -","2","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.1349","0.0757","","","0.1695","0.2389","","","","","","1.039","","","","has coordinates,has disorder","237015","2020-10-21","18:00:00",""
"1554199","10.528","0.0009","11.5191","0.0011","11.8538","0.0011","70.006","0.002","70.754","0.002","67.223","0.003","1212.85","0.19","123","","123","","","","","","","","","6","P -1","-P 1","2","","1c","","- C24 H12 Au2 F10 N2 O -","- C24 H12 Au2 F10 N2 O -","- C48 H24 Au4 F20 N4 O2 -","2","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.1062","0.0689","","","0.1783","0.2219","","","","","","0.979","","","","has coordinates","237015","2020-10-21","18:00:00",""
"1554200","8.4401","0.0007","17.347","0.0013","19.5954","0.0015","90","","98.181","0.002","90","","2839.8","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Gold-complex","","- C28 H20 Au2 F10 N2 O2 -","- C28 H20 Au2 F10 N2 O2 -","- C112 H80 Au8 F40 N8 O8 -","4","1","","Seki, Tomohiro; Ida, Kentaro; Ito, Hajime","A meta-diisocyanide benzene-based aryl gold isocyanide complex exhibiting multiple solid-state molecular arrangements and luminescent mechanochromism","Materials Chemistry Frontiers","2018","2","6","1195","","10.1039/C8QM00074C","","","0.71075","MoKα","","0.0789","0.0623","","","0.142","0.1544","","","","","","0.99","","","","has coordinates,has disorder","237015","2020-10-21","18:00:00",""
"1554201","6.6509","0.0006","7.914","0.0006","12.3019","0.0011","90.852","0.006","104.072","0.007","112.181","0.007","577.49","0.09","102.3","","102.3","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 N4 -","- C32 H20 N4 -","- C32 H20 N4 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.7107","MoKα","","0.0537","0.0419","","","0.0881","0.0951","","","","","","1.044","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554202","11.1457","0.0011","11.6511","0.0012","13.2828","0.0014","82.622","0.003","83.818","0.003","80.79","0.003","1681.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N2 O8 -","- C38 H30 N2 O8 -","- C76 H60 N4 O16 -","2","1","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1357","0.0732","","","0.1979","0.2422","","","","","","1.034","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554203","12.3284","0.0006","6.1277","0.0003","20.3379","0.0011","90","","105.907","0.005","90","","1477.59","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C68 H52 N4 O8 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.0722","0.0565","","","0.1568","0.172","","","","","","1.074","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554204","12.144","0.008","8.484","0.006","17.017","0.011","90","","100.58","0.02","90","","1723","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N2 -","- C42 H46 N2 -","- C84 H92 N4 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.093","0.053","","","0.1432","0.1737","","","","","","0.964","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554205","6.0244","0.0007","9.5199","0.0011","10.6867","0.0014","97.209","0.01","98.46","0.01","102.006","0.01","585.2","0.13","102.4","","102.4","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H20 N4 -","- C32 H20 N4 -","- C32 H20 N4 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.7107","MoKα","","0.0692","0.0486","","","0.0988","0.1101","","","","","","1.037","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554206","6.0988","0.0012","11.519","0.002","11.831","0.002","116.842","0.005","104.607","0.006","91.839","0.006","707.3","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 N2 -","- C36 H34 N2 -","- C36 H34 N2 -","1","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.096","0.0572","","","0.1401","0.1672","","","","","","0.958","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554207","9.068","0.004","12.768","0.005","15.473","0.006","75.908","0.007","78.601","0.008","75.752","0.007","1665.9","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C80 H76 N4 O8 -","2","1","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1789","0.0889","","","0.216","0.2919","","","","","","1.01","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554208","5.6456","0.0011","12.856","0.003","22.586","0.005","90","","96.79","0.03","90","","1627.8","0.6","153.15","","153.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C80 H76 N4 O8 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.1345","0.1004","","","0.1438","0.1586","","","","","","1.174","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554209","11.72","0.002","6.2246","0.0012","23.409","0.005","90","","99.65","0.03","90","","1683.6","0.6","153.15","","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 N8 O2 -","- C40 H32 N8 O2 -","- C80 H64 N16 O4 -","2","0.5","","Peng, Zhe; Ji, Yingchun; Huang, Zihan; Tong, Bin; Shi, Jianbing; Dong, Yuping","A strategy for the molecular design of aggregation-induced emission units further modified by substituents","Materials Chemistry Frontiers","2018","2","6","1175","","10.1039/C8QM00096D","","","0.71073","MoKα","","0.0794","0.066","","","0.1507","0.1715","","","","","","1.272","","","","has coordinates","237017","2020-10-21","18:00:00",""
"1554210","18.5961","0.0002","18.5961","0.0002","38.21","0.0007","90","","90","","120","","11443.3","0.3","100","0.1","100","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C5.5 H2.5 Cu0.5 N0.25 O3 -","- C5.5 H2.5 Cu0.5 N0.25 O3 -","- C198 H90 Cu18 N9 O108 -","36","1","","Liu, Xiuping; Fan, Weidong; Zhang, Minghui; Li, Guixia; Liu, Haijun; Sun, Daofeng; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue","Enhancing light hydrocarbon storage and separation through introducing Lewis basic nitrogen sites within a carboxylate-decorated copper‒organic framework","Materials Chemistry Frontiers","2018","2","6","1146","","10.1039/C8QM00105G","","","1.54178","CuKα","","0.0705","0.0642","","","0.2013","0.2083","","","","","","1.055","","","","has coordinates","237019","2020-10-21","18:00:00",""
"1554211","10.0725","0.0014","10.8786","0.0015","12.9332","0.0018","113.11","0.002","105.578","0.002","90.301","0.002","1245.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(benzo[ghi]perylene)3TCNQ","","","- C78 H40 N4 -","- C78 H40 N4 -","- C78 H40 N4 -","1","0.5","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0914","0.049","","","0.1053","0.1189","","","","","","1.003","","","","has coordinates,has disorder","237021","2020-10-21","18:00:00",""
"1554212","9.7377","0.0008","11.9539","0.001","11.3813","0.001","90","","97.968","0.001","90","","1312.03","0.19","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","benzo[ghi]perylene","","","- C22 H12 -","- C22 H12 -","- C88 H48 -","4","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0453","0.0401","","","0.1205","0.1267","","","","","","1.048","","","","has coordinates","237022","2020-10-21","18:00:00",""
"1554213","7.1246","0.0008","12.3495","0.0014","21.257","0.003","78.598","0.002","80.637","0.002","80.207","0.002","1790.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(benzo[ghi]perylene)2TCNQ","","","- C56 H28 N4 -","- C56 H28 N4 -","- C112 H56 N8 -","2","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.1563","0.0783","","","0.1543","0.1755","","","","","","1.003","","","","has coordinates","237024","2020-10-21","18:00:00",""
"1554214","7.1719","0.0004","10.8284","0.0005","29.7864","0.0015","90","","90","","90","","2313.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(benzo[ghi]perylene)TCNQ","","","- C34 H16 N4 -","- C34 H16 N4 -","- C136 H64 N16 -","4","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0522","0.0386","","","0.076","0.0799","","","","","","1.03","","","","has coordinates","237027","2020-10-21","18:00:00",""
"1554215","9.8455","0.0009","11.0998","0.001","12.8243","0.0011","86.101","0.001","67.763","0.001","89.093","0.001","1294.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(benzo[ghi]perylene)3Mo6O19","","","- C66 H36 Mo6 O19 -","- C66 H36 Mo6 O19 -","- C66 H36 Mo6 O19 -","1","0.5","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0266","0.0204","","","0.0488","0.0515","","","","","","1.026","","","","has coordinates,has disorder","237028","2020-10-21","18:00:00",""
"1554216","31.8272","0.0003","31.8272","0.0003","27.8945","0.0008","90","","90","","90","","28256.3","0.9","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C39 H25 Cu1.5 N2.5 O6 -","- C39 H25.5 Cu1.5 N2.5 O6 -","- C624 H408 Cu24 N40 O96 -","16","1","","Chen, Dong-Hui; Zhuo, Chao; Wen, Yue-Hong; Lin, Ling; Zhang, Yu-Xiao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Porous metal‒organic frameworks based on 3,6-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole for HPLC separation of small organic molecules","Materials Chemistry Frontiers","2018","2","8","1508","","10.1039/C8QM00147B","","","1.54178","CuKα","","0.1159","0.0985","","","0.326","0.3548","","","","","","1.098","","","","has coordinates,has disorder","237030","2020-10-21","18:00:00",""
"1554217","7.9035","0.0002","17.3632","0.0005","30.8922","0.001","90","","93.818","0.001","90","","4229.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6a","6a","","- C48 H58 N2 O6 S2 -","- C48 H58 N2 O6 S2 -","- C192 H232 N8 O24 S8 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0361","0.0351","","","0.0878","0.0885","","","","","","1.061","","","","has coordinates","237032","2020-10-21","18:00:00",""
"1554218","15.4628","0.0006","32.3858","0.0013","9.181","0.0004","90","","93.89","0.002","90","","4587","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6b[ZnCl2]","6b[ZnCl2]","","- C48 H58 Cl2 N2 O6 Se2 Zn -","- C48 H58 Cl2 N2 O6 Se2 Zn -","- C192 H232 Cl8 N8 O24 Se8 Zn4 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.1255","0.0904","","","0.2253","0.2497","","","","","","1.048","","","","has coordinates,has disorder","237032","2020-10-21","18:00:00",""
"1554219","15.7813","0.0007","32.2684","0.0015","9.0074","0.0005","90","","97.563","0.002","90","","4547","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","6a[ZnCl2]","6a[ZnCl2]","","- C48 H58 Cl2 N2 O6 S2 Zn -","- C48 H58 Cl2 N2 O6 S2 Zn -","- C192 H232 Cl8 N8 O24 S8 Zn4 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0656","0.0495","","","0.1268","0.1434","","","","","","1.065","","","","has coordinates","237032","2020-10-21","18:00:00",""
"1554220","7.897","0.0003","17.4785","0.0006","31.1201","0.001","90","","92.646","0.001","90","","4290.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6b","6b","","- C48 H58 N2 O6 Se2 -","- C48 H58 N2 O6 Se2 -","- C192 H232 N8 O24 Se8 -","4","1","","Geng, Ruili; Hou, Xueqing; Sun, Yantao; Yan, Chaoxian; Wu, Yuewei; Zhang, Hao-Li; Shao, Xiangfeng","Driving π-plane to π-bowl through lateral coordination at room temperature","Materials Chemistry Frontiers","2018","2","8","1456","","10.1039/C8QM00168E","","","1.54178","CuKα","","0.0368","0.0348","","","0.0891","0.0906","","","","","","1.089","","","","has coordinates","237032","2020-10-21","18:00:00",""
"1554221","15.8769","0.0002","17.4704","0.0002","16.902","0.0002","90","","101.409","0.001","90","","4595.57","0.1","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 F12 N4 -","- C22 H12 F12 N4 -","- C176 H96 F96 N32 -","8","2","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Controlling the canonical/zwitterionic balance through intramolecular proton transfer: a strategy for vapochromism","Materials Chemistry Frontiers","2018","2","9","1618","","10.1039/C8QM00171E","","x-ray","1.54184","CuKα","","0.0882","0.0815","","","0.2315","0.2431","","","","","","1.051","","","","has coordinates,has disorder","237035","2020-10-21","18:00:00",""
"1554222","9.0537","0.0002","17.8869","0.0004","22.6505","0.0004","90","","92.648","0.002","90","","3664.16","0.13","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 F2 N8 O8 -","- C34 H42 F2 N8 O8 -","- C136 H168 F8 N32 O32 -","4","1","","Pascal, Simon; Lavaud, Lucien; Azarias, Cloé; Canard, Gabriel; Giorgi, Michel; Jacquemin, Denis; Siri, Olivier","Controlling the canonical/zwitterionic balance through intramolecular proton transfer: a strategy for vapochromism","Materials Chemistry Frontiers","2018","2","9","1618","","10.1039/C8QM00171E","","x-ray","1.54184","CuKα","","0.093","0.0727","","","0.2032","0.2245","","","","","","1.029","","","","has coordinates,has disorder","237035","2020-10-21","18:00:00",""
"1554223","11.941","0.002","6.1614","0.0012","14.5","0.003","90","","109.93","0.03","90","","1002.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","thianthrene","","- C12 H8 S2 -","- C12 H8 S2 -","- C48 H32 S8 -","4","1","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin‒orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.0391","0.0343","","","0.0904","0.0931","","","","","","1.076","","","","has coordinates","237037","2020-10-21","18:00:00",""
"1554224","23.376","0.005","6.0798","0.0012","14.364","0.003","90","","99.514","0.005","90","","2013.4","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2'-bithianthrene","","- C24 H14 S4 -","- C24 H14 S4 -","- C96 H56 S16 -","4","1","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin‒orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.0923","0.0436","","","0.0917","0.1233","","","","","","1.018","","","","has coordinates","237037","2020-10-21","18:00:00",""
"1554225","10.151","0.002","10.193","0.002","21.148","0.004","97.15","0.03","97.6","0.03","111.09","0.03","1988.3","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1,1'-bithianthrene","","- C24 H14 S4 -","- C24 H14 S4 -","- C96 H56 S16 -","4","2","","Liu, Haichao; Gao, Yu; Cao, Jungang; Li, Tingxuan; Wen, Yating; Ge, Yunpeng; Zhang, Lili; Pan, Guocui; Zhou, Tong; Yang, Bing","Efficient room-temperature phosphorescence based on a pure organic sulfur-containing heterocycle: folding-induced spin‒orbit coupling enhancement","Materials Chemistry Frontiers","2018","2","10","1853","","10.1039/C8QM00320C","","","0.71073","MoKα","","0.1066","0.0714","","","0.1902","0.2052","","","","","","1.086","","","","has coordinates","237037","2020-10-21","18:00:00",""
"1554226","11.8232","0.0008","14.4169","0.0009","14.7764","0.0009","90","","104.264","0.007","90","","2441","0.3","175","70","175","70","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,6-dihydroxy-4-(indolin-1-yl)phenyl)-4-(diphenylamino)cyclobuta-1,3-diene-1,3-bis(olate)","","- C30.5 H23 Cl N2 O4 -","- C30.5 H22 Cl N2 O4 -","- C122 H88 Cl4 N8 O16 -","4","1","","Yang, Lin; Yang, Daobin; Chen, Yao; Wu, Jianglin; Lu, Zhiyun; Sasabe, Hisahiro; Kido, Junji; Sano, Takeshi; Huang, Yan","Effects of different types of unsymmetrical squaraines on the material properties and Coulomb interactions in organic photovoltaic devices","Materials Chemistry Frontiers","2018","2","11","2116","","10.1039/C8QM00327K","","x-ray","0.71073","MoKα","","0.0798","0.0637","","","0.1582","0.1758","","","","","","1.09","","","","has coordinates","237039","2020-10-21","18:00:00",""
"1554227","10.8776","0.0008","12.2628","0.0008","15.8498","0.0008","103.335","0.005","105.575","0.006","108.689","0.006","1809.3","0.2","143","0.1","143","0.1","","","","","","","","4","P -1","-P 1","2","","2-(2,6-dihydroxy-4-(1,2,3,3a-tetrahydrocyclopenta[b]indol-4(8bH)-yl)phenyl)-4-(4-p-tolyl-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)cyclobuta-1,3-diene-1,3-bis(olate)","","- C39 H34 N2 O4 -","- C39 H34 N2 O4 -","- C78 H68 N4 O8 -","2","1","","Yang, Lin; Yang, Daobin; Chen, Yao; Wu, Jianglin; Lu, Zhiyun; Sasabe, Hisahiro; Kido, Junji; Sano, Takeshi; Huang, Yan","Effects of different types of unsymmetrical squaraines on the material properties and Coulomb interactions in organic photovoltaic devices","Materials Chemistry Frontiers","2018","2","11","2116","","10.1039/C8QM00327K","","x-ray","0.71073","MoKα","","0.1694","0.089","","","0.2484","0.3026","","","","","","0.954","","","","has coordinates,has disorder","237039","2020-10-21","18:00:00",""
"1554228","9.825","0.0002","9.4992","0.0002","10.7097","0.0002","90","","107.106","0.002","90","","955.32","0.03","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0545","0.0519","","","0.1317","0.1344","","","","","","1.063","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554229","9.8155","0.0002","15.6764","0.0002","22.6588","0.0002","90","","90","","90","","3486.55","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 I4 -","- C26 H16 I4 -","- C104 H64 I16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0623","0.0585","","","0.1867","0.1914","","","","","","1.077","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554230","9.6034","0.0002","15.4711","0.0002","22.0743","0.0003","90","","90","","90","","3279.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C104 H64 Br16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0355","0.0327","","","0.0917","0.0937","","","","","","1.134","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554231","9.3671","0.0002","10.3688","0.0001","18.1087","0.0003","98.152","0.001","91.531","0.001","109.275","0.001","1638.36","0.05","153","2","153","2","","","","","","","","3","P -1","-P 1","2","DPAc-4PyPM","","","- C46 H32 N4 -","- C46 H32 N4 -","- C92 H64 N8 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Lv, Xialei; Liu, Wei; Zeng, Hongxia; Guo, Runda; Ye, Shaofeng; Leng, Panpan; Xiang, Songpo; Wang, Lei","Manipulating the positions of CH⋯N in acceptors of pyrimidine‒pyridine hybrids for highly efficient sky-blue thermally activated delayed fluorescent OLEDs","Materials Chemistry Frontiers","2018","2","11","2054","","10.1039/C8QM00382C","","","0.71073","MoKα","","0.0559","0.0526","","","0.1481","0.1514","","","","","","1.024","","","","has coordinates","237043","2020-10-21","18:00:00",""
"1554232","9.36291","0.00019","10.3424","0.0003","18.1892","0.0005","97.675","0.002","91.13","0.002","109.359","0.002","1643.02","0.08","100.01","0.13","100.01","0.13","","","","","","","","3","P -1","-P 1","2","DPAc-6PyPM","DPAc-6PyPM","","- C46 H32 N4 -","- C46 H32 N4 -","- C92 H64 N8 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Lv, Xialei; Liu, Wei; Zeng, Hongxia; Guo, Runda; Ye, Shaofeng; Leng, Panpan; Xiang, Songpo; Wang, Lei","Manipulating the positions of CH⋯N in acceptors of pyrimidine‒pyridine hybrids for highly efficient sky-blue thermally activated delayed fluorescent OLEDs","Materials Chemistry Frontiers","2018","2","11","2054","","10.1039/C8QM00382C","","x-ray","1.54184","CuKα","","0.0667","0.0621","","","0.1632","0.1667","","","","","","1.057","","","","has coordinates","237043","2020-10-21","18:00:00",""
"1554233","7.297","0.004","6.045","0.003","8.354","0.004","90","","90","","90","","368.5","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H3 N O2 -","- C3 H3 N O2 -","- C12 H12 N4 O8 -","4","0.5","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0373","0.0327","","","0.0955","0.1017","","","","","","1.161","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554234","6.094","0.005","7.56","0.006","9.327","0.006","90","","124.18","0.04","90","","355.5","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H2 N2 O0 -","- C3 H2 N2 -","- C12 H8 N8 -","4","1","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0756","0.0655","","","0.1843","0.1913","","","","","","1.214","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554235","5.146","0.003","5.331","0.003","8.386","0.006","108.358","0.01","100.693","0.013","95.006","0.01","211.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C3 H4 O4 -","- C2.985 H4 O4 -","- C5.97 H8 O8 -","2","1","","Fang, Manman; Yang, Jie; Xiang, Xueqin; Xie, Yujun; Dong, Yongqiang; Peng, Qian; Li, Qianqian; Li, Zhen","Unexpected room-temperature phosphorescence from a non-aromatic, low molecular weight, pure organic molecule through the intermolecular hydrogen bond","Materials Chemistry Frontiers","2018","2","11","2124","","10.1039/C8QM00396C","","","0.71073","MoKα","","0.0467","0.0433","","","0.1131","0.1166","","","","","","1.096","","","","has coordinates","237044","2020-10-21","18:00:00",""
"1554253","8.8119","0.0001","10.4134","0.0001","27.1396","0.0003","90","","90","","90","","2490.38","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br F3 N3 O4 S -","- C25 H21 Br F3 N3 O4 S -","- C100 H84 Br4 F12 N12 O16 S4 -","4","1","","Zhu, Wen-Run; Chen, Qing; Lin, Ning; Chen, Kai-Bin; Zhang, Zhen-Wei; Fang, Gang; Weng, Jiang; Lu, Gui","Organocatalytic Michael/cyclization cascade reactions of 3-isothiocyanato oxindoles with 3-trifluoroethylidene oxindoles: an approach for the synthesis of 3′-trifluoromethyl substituted 3,2′-pyrrolidinyl-bispirooxindoles","Organic Chemistry Frontiers","2018","5","8","1375","","10.1039/C8QO00044A","","","1.54178","CuKα","","0.0329","0.0312","","","0.0763","0.0774","","","","","","1.031","","","","has coordinates","237067","2020-10-21","18:00:00",""
"1554254","13.986","0.0008","14.019","0.0008","28.0285","0.0013","98.119","0.003","91.053","0.003","90.157","0.003","5439.5","0.5","273","2","273","2","","","","","","","","3","P 1","P 1","1","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C224 H288 O64 -","8","8","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.1592","0.1102","","","0.2928","0.3537","","","","","","1.147","","","","has coordinates","237068","2020-10-21","18:00:00",""
"1554255","8.3949","0.0009","15.0525","0.0016","22.267","0.002","90","","90","","90","","2813.8","0.5","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15-13","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.0338","0.0326","","","0.0864","0.0873","","","","","","1.052","","","","has coordinates","237068","2020-10-21","18:00:00",""
"1554256","9.34542","0.00007","14.58845","0.00013","24.65138","0.00016","90","","90","","90","","3360.85","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lithocarpin C","W-55","","- C37 H42 O11 -","- C37 H42 O11 -","- C148 H168 O44 -","4","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A‒D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0889","0.0897","","","","","","1.047","","","","has coordinates","237071","2020-10-21","18:00:00",""
"1554257","12.0999","0.0003","8.9388","0.0002","17.0397","0.0004","90","","90.378","0.002","90","","1842.95","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Lithocarpin A","w-36","","- C38 H43 Cl3 O11 -","- C38 H43 Cl3 O11 -","- C76 H86 Cl6 O22 -","2","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A‒D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.094","0.0906","","","0.2611","0.265","","","","","","1.036","","","","has coordinates,has disorder","237071","2020-10-21","18:00:00",""
"1554258","8.8203","0.0001","9.95","0.0002","11.3663","0.0002","90","","104.882","0.002","90","","964.07","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C42 H56 O8 -","2","1","","Hu, Li-Jun; Cheng, Min-Jing; Cao, Jia-Qing; Zhong, Li-Ping; Hu, Ya-Jian; Wang, Ying; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Asymmetric total syntheses of callistrilones B, G and J","Organic Chemistry Frontiers","2018","5","9","1506","","10.1039/C8QO00130H","","x-ray","1.54178","CuKα","","0.03","0.0298","","","0.0801","0.0804","","","","","","1.046","","","","has coordinates","237073","2020-10-21","18:00:00",""
"1554259","9.56","0.001","10.76","0.003","11.542","0.003","89.84","0.03","78.84","0.02","80.4","0.02","1148","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","{2-[3-Ethoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-diyl}bis(phenylmethanone)","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0904","0.0459","","","0.1151","0.1363","","","","","","1.04","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554260","5.565","0.001","17.417","0.006","19.97","0.005","90","","90","","90","","1935.6","0.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9-Methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-4-amine","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.0728","0.0429","","","0.102","0.1167","","","","","","1.1","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554261","10.139","0.003","10.399","0.006","14.357","0.005","80.36","0.04","69.86","0.03","89.98","0.04","1398.4","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.141","0.056","","","0.1299","0.1632","","","","","","1.01","","","","has coordinates,has disorder","237075","2020-10-21","18:00:00",""
"1554262","9.9233","0.0007","15.1382","0.001","8.9089","0.0006","90","","105.815","0.001","90","","1287.64","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromo-6-ethoxy-9-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene","","- C13 H15 Br O3 -","- C13 H15 Br O3 -","- C52 H60 Br4 O12 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0323","0.0251","","","0.0596","0.0618","","","","","","1.052","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554263","8.638","0.003","15.409","0.007","8.594","0.002","90","","111.43","0.02","90","","1064.8","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-9-methyl-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.072","0.0393","","","0.0928","0.1071","","","","","","1.02","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554264","9.944","0.005","16.675","0.008","15.179","0.007","90","","108.38","0.04","90","","2389","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-[4-(2-Hydroxyphenyl)-2-methyl-4,5-dihydrofuran-3-yl]ethanone","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","2","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","1.54178","CuKα","","0.1516","0.0589","","","0.1474","0.1892","","","","","","0.995","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554265","7.1922","0.0006","9.9323","0.0008","16.0391","0.0013","78.066","0.001","84.732","0.001","86.302","0.001","1115.04","0.16","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","{4-[3-Ethoxy-2-(methoxymethoxy)phenyl]-2-phenyl-4,5-dihydrofuran-3-yl}(phenyl)methanone","","- C27 H26 O5 -","- C27 H26 O5 -","- C54 H52 O10 -","2","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0562","0.0423","","","0.1006","0.109","","","","","","1.029","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554266","9.9599","0.0006","6.7335","0.0004","20.4059","0.0012","90","","93.522","0.001","90","","1365.94","0.14","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Methyl 4-[2-(methoxymethoxy)phenyl]-2-methyl-4,5-dihydrofuran-3-carboxylate","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Ivanov, Konstantin L.; Vatsouro, Ivan M.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya.; Budynina, Ekaterina M.","Domino construction of a bullataketal core via double bond cleavage in activated dihydrofurans","Organic Chemistry Frontiers","2018","5","10","1655","","10.1039/C8QO00132D","","","0.71073","MoKα","","0.0419","0.0365","","","0.0952","0.0994","","","","","","1.032","","","","has coordinates","237075","2020-10-21","18:00:00",""
"1554267","8.2403","0.0004","11.2635","0.0005","11.6154","0.0007","80.692","0.004","75.701","0.005","83.849","0.004","1028.38","0.1","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C46 H64 O12 -","2","1","","Liu, Mengchen; Cheng, Chuanxu; Xiong, Weiyan; Cheng, Hang; Wang, Jian-Li; Xu, Liang","Total synthesis of C19-diterpenoid alkaloid: construction of a functionalized ABCDE-ring system","Organic Chemistry Frontiers","2018","5","9","1502","","10.1039/C8QO00143J","","x-ray","0.71073","MoKα","","0.0702","0.0474","","","0.1041","0.1173","","","","","","1.029","","","","has coordinates","237078","2020-10-21","18:00:00",""
"1554268","10.8545","0.0006","11.1988","0.0004","10.9655","0.0006","90","","117.846","0.007","90","","1178.59","0.13","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Liu, Mengchen; Cheng, Chuanxu; Xiong, Weiyan; Cheng, Hang; Wang, Jian-Li; Xu, Liang","Total synthesis of C19-diterpenoid alkaloid: construction of a functionalized ABCDE-ring system","Organic Chemistry Frontiers","2018","5","9","1502","","10.1039/C8QO00143J","","","0.7107","MoKα","","0.0516","0.0402","","","0.0916","0.1002","","","","","","1.025","","","","has coordinates","237078","2020-10-21","18:00:00",""
"1554269","13.7347","0.0009","21.989","0.0014","13.7372","0.0011","90","","110.63","0.007","90","","3882.8","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H104 O26 S3 -","- C76 H84 O26 S3 -","- C152 H168 O52 S6 -","2","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.1566","0.1161","","","0.2152","0.2368","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554270","10.70154","0.00011","27.4281","0.0003","26.4591","0.0003","90","","90","","90","","7766.35","0.15","150","2","150.15","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C78 H96 N4 O22 -","- C78 H96 N4 O22 -","- C312 H384 N16 O88 -","4","0.5","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54178","CuKα","","0.0776","0.0757","","","0.2014","0.204","","","","","","1.05","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554271","9.18292","0.00014","12.4621","0.0002","28.4369","0.0005","90","","90","","90","","3254.28","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54184","CuKα","","0.0272","0.0268","","","0.0674","0.0677","","","","","","1.076","","","","has coordinates","237081","2020-10-21","18:00:00",""
"1554272","15.8696","0.0006","16.1185","0.0005","32.0556","0.0007","90","","90","","90","","8199.6","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H90 Cl12 O24 -","- C74 H90 Cl12 O24 -","- C296 H360 Cl48 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0957","0.0812","","","0.1738","0.1837","","","","","","1.003","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554273","10.54064","0.00016","14.6009","0.0003","14.9312","0.0002","62.0192","0.0018","84.9082","0.0013","68.8864","0.0016","1884.1","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C77.37 H93.1 N4 O24 -","- C77.364 H93.132 N4 O24 -","- C77.364 H93.132 N4 O24 -","1","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54184","CuKα","","0.051","0.0506","","","0.1346","0.135","","","","","","1.02","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554274","15.2487","0.0011","16.1229","0.0011","29.1352","0.0019","90","","90","","90","","7163","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H91 N2 O24 -","- C74 H91 N2 O24 -","- C296 H364 N8 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","0.71073","MoKα","","0.0842","0.0548","","","0.1445","0.1638","","","","","","1.026","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554275","14.7018","0.0001","14.7018","0.0001","53.2893","0.0002","90","","90","","120","","9974.97","0.1","293","2","293","2","","","","","","","","3","P 65","P 65","170","","","","- C70 H84 O24 -","- C70 H84 O24 -","- C420 H504 O144 -","6","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0736","0.0724","","","0.2119","0.2145","","","","","","1.026","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554276","13.3662","0.0008","19.3514","0.0012","18.2778","0.0011","90","","107.451","0.002","90","","4510","0.5","300","2","300.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H49 Cl2 N3 O3 Ru S -","- C42 H49 Cl2 N3 O3 Ru S -","- C168 H196 Cl8 N12 O12 Ru4 S4 -","4","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.0556","0.0425","","","0.1139","0.1226","","","","","","1.0356","","","","has coordinates","237085","2020-10-21","18:00:00",""
"1554277","14.573","0.01","14.783","0.01","16.116","0.01","90","","104.49","0.02","90","","3361","4","300","2","300.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 Cl2 N2 O Ru -","- C33 H46 Cl2 N2 O Ru -","- C132 H184 Cl8 N8 O4 Ru4 -","4","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.1839","0.1163","","","0.279","0.3651","","","","","","1.281","","","","has coordinates","237088","2020-10-21","18:00:00",""
"1554278","26.317","0.004","17.57","0.002","17.431","0.002","90","","110.1","0.004","90","","7569","1.7","200","2","200.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cl2 N2 O Ru -","- C36 H44 Cl2 N2 O Ru -","- C288 H352 Cl16 N16 O8 Ru8 -","8","1","","Sabbasani, Venkata R.; Gupta, Saswata; Young Yun, Sang; Lee, Daesung","A general approach for the formation of oxygen-chelated ruthenium alkylidene complexes relying on the Thorpe‒Ingold effect","Organic Chemistry Frontiers","2018","5","9","1532","","10.1039/C8QO00160J","","","0.71073","MoKα","","0.0528","0.0417","","","0.1117","0.124","","","","","","1.08","","","","has coordinates","237088","2020-10-21","18:00:00",""
"1554279","17.5111","0.0007","18.0998","0.0006","8.8623","0.0003","90","","98.023","0.004","90","","2781.39","0.17","291.74","0.1","291.74","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 N5 -","- C16 H9 N5 -","- C128 H72 N40 -","8","2","","Xin, Jing-Rui; He, Yan-Hong; Guan, Zhi","Metal-free aerobic oxidative direct C‒H amination of electron-deficient alkenes via photoredox catalysis","Organic Chemistry Frontiers","2018","5","10","1684","","10.1039/C8QO00161H","","x-ray","1.54184","CuKα","","0.0739","0.0585","","","0.2017","0.2344","","","","","","1.092","","","","has coordinates","237090","2020-10-21","18:00:00",""
"1554280","16.9028","0.0008","16.5253","0.0007","9.9901","0.0004","90","","90","","90","","2790.5","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C160 H112 N16 O16 -","8","2","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0688","0.0592","","","0.1431","0.1482","","","","","","1.597","","","","has coordinates,has disorder","237093","2020-10-21","18:00:00",""
"1554281","13.3145","0.0004","13.4792","0.0004","7.0709","0.0002","90","","93.942","0.001","90","","1266","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 N O -","- C9 H6 N O -","- C72 H48 N8 O8 -","8","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","1.54178","CuKα","","0.0413","0.0383","","","0.1095","0.1143","","","","","","1.092","","","","has coordinates","237093","2020-10-21","18:00:00",""
"1554282","17.23","0.003","8.7235","0.0016","9.6499","0.0018","90","","90","","90","","1450.4","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0518","0.0476","","","0.1125","0.1155","","","","","","1.062","","","","has coordinates","237093","2020-10-21","18:00:00",""
"1554283","8.0334","0.0012","24.561","0.004","9.1052","0.0013","90","","105.603","0.002","90","","1730.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.0655","0.0516","","","0.1345","0.1443","","","","","","1.059","","","","has coordinates","237093","2020-10-21","18:00:00",""
"1554284","5.3397","0.0005","12.5882","0.001","17.165","0.0013","95.56","0.003","94.461","0.003","101.447","0.003","1119.93","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C64 H44 N4 O4 -","2","1","","Yao, Wei; Sun, Mingtai; Zhang, Yuannian; Yang, Hui; Liang, Dong; Wu, Haixia; Ni, Runyan; Wong, Ming Wah; Huang, Dejian","Photo-induced C‒H bond activation of N,N′-dialkylethylenediamine upon aza-Michael addition to 1,8-pyrenedione: facile synthesis of fluorescent pyrene derivatives","Organic Chemistry Frontiers","2018","5","10","1679","","10.1039/C8QO00183A","","","0.71073","MoKα","","0.1775","0.1105","","","0.2431","0.2798","","","","","","1.056","","","","has coordinates,has disorder","237093","2020-10-21","18:00:00",""
"1554285","9.533","0.006","17.215","0.01","11.031","0.005","90","","122.95","0.04","90","","1519.1","1.6","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.081","0.0524","","","0.1141","0.1281","","","","","","1.084","","","","has coordinates","237095","2020-10-21","18:00:00",""
"1554286","8.166","0.004","9.066","0.005","9.404","0.006","85.402","0.019","75.824","0.017","71.601","0.017","640.5","0.6","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O -","- C17 H14 O -","- C34 H28 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0621","0.0469","","","0.1187","0.1288","","","","","","1.044","","","","has coordinates","237095","2020-10-21","18:00:00",""
"1554287","9.603","0.003","10.694","0.004","10.7294","0.0016","70.55","0.05","64.18","0.05","81.02","0.06","935.2","0.7","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 O -","- C27 H18 O -","- C54 H36 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0818","0.0595","","","0.1441","0.1523","","","","","","0.995","","","","has coordinates","237095","2020-10-21","18:00:00",""
"1554288","8.4085","0.0015","9.35","0.0016","14.153","0.003","105.907","0.01","95.411","0.018","97.753","0.013","1050.2","0.4","128","2","128","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H20 O -","- C31 H20 O -","- C62 H40 O2 -","2","1","","Guo, Weijie; Wu, Shutao; Wang, Tao; Xie, Qingxiao; Duan, Yulian; Luo, Siyuan; Wang, Jianhui; Yu, Xiaobo","Rhodium-catalyzed decarbonylative cycloadditions of 1H-indene-1,2,3-triones and alkynes via direct C‒C bond activation: divergent synthesis of indenones and quinones","Organic Chemistry Frontiers","2018","5","10","1613","","10.1039/C8QO00186C","","","0.71073","MoKα","","0.0583","0.0427","","","0.1172","0.1221","","","","","","1.063","","","","has coordinates","237095","2020-10-21","18:00:00",""
"1554289","23.315","0.0015","11.3915","0.0007","18.4957","0.0012","90","","93.135","0.003","90","","4905","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.93 H3.28 Br0.13 N0.26 O0.26 -","- C3.93443 H3.27869 Br0.131148 N0.262295 O0.262295 -","- C240 H200 Br8 N16 O16 -","61","15.25","","Wang, Chao-Ming; Song, Dan; Xia, Peng-Ju; Ye, Zhi-Peng; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-catalyzed direct aminoalkylation of isatins: diastereoselective access to 3-hydroxy-3-aminoalkylindolin-2-ones analogues","Organic Chemistry Frontiers","2018","5","10","1608","","10.1039/C8QO00201K","","","0.71073","MoKα","","0.0723","0.0513","","","0.1258","0.1394","","","","","","1.029","","","","has coordinates","237097","2020-10-21","18:00:00",""
"1554290","7.6842","0.0009","19.978","0.002","13.7517","0.0018","90","","98.473","0.012","90","","2088","0.4","173","0.1","173","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Chen, Wei; Ji, Dong-Sheng; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei","Directing group assisted ZnI2-catalyzed cyclopropanation of indoles via 2-furylcarbenoids","Organic Chemistry Frontiers","2018","5","11","1768","","10.1039/C8QO00232K","","","0.7107","MoKα","","0.1502","0.0669","","","0.1133","0.1605","","","","","","1.028","","","","has coordinates","237098","2020-10-21","18:00:00",""
"1554291","27.4221","0.0008","5.1994","0.0002","19.0212","0.0006","90","","121.717","0.001","90","","2306.99","0.14","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H14 O2 S2 -","- C11 H14 O2 S2 -","- C88 H112 O16 S16 -","8","2","","Liu, Yan; Zeng, Jing; Sun, Jiuchang; Cai, Lei; Zhao, Yueqi; Fang, Jing; Hu, Bo; Shu, Penghua; Meng, Lingkui; Wan, Qian","1,4-Dithiothreitol mediated cleavage of the acetal and ketal type of diol protecting groups","Organic Chemistry Frontiers","2018","5","16","2427","","10.1039/C8QO00247A","","","1.54178","CuKα","","0.0409","0.04","","","0.105","0.1096","","","","","","1.094","","","","has coordinates","237099","2020-10-21","18:00:00",""
"1554292","9.0455","0.0008","9.948","0.0009","11.7172","0.0017","94.495","0.01","95.25","0.01","98.331","0.007","1034.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Li, Bingnan; Mai, Shaoyu; Song, Qiuling","Synthesis of fused benzimidazoles via successive nucleophilic additions of benzimidazole derivatives to arynes under transition metal-free conditions","Organic Chemistry Frontiers","2018","5","10","1639","","10.1039/C8QO00251G","","x-ray","0.71073","MoKα","","0.1661","0.1274","","","0.3304","0.3582","","","","","","1.059","","","","has coordinates","237100","2020-10-21","18:00:00",""
"1554293","10.3357","0.0005","23.6593","0.0011","11.6006","0.0005","90","","104.704","0.002","90","","2743.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N O5 -","- C34 H31 N O5 -","- C136 H124 N4 O20 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","0.71073","MoKα","","0.0635","0.0477","","","0.1065","0.1145","","","","","","1.043","","","","has coordinates","237103","2020-10-21","18:00:00",""
"1554294","10.9629","0.0005","9.8209","0.0004","27.4846","0.0012","90","","91.397","0.001","90","","2958.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O4 -","- C36 H36 N2 O4 -","- C144 H144 N8 O16 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","1.54178","CuKα","","0.0398","0.0366","","","0.0937","0.0965","","","","","","1.017","","","","has coordinates","237103","2020-10-21","18:00:00",""
"1554295","18.1688","0.0009","18.3501","0.001","11.8464","0.0007","90","","90","","90","","3949.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C44 H44 Cl2 N2 O6 S -","- C44 H44 Cl2 N2 O6 S -","- C176 H176 Cl8 N8 O24 S4 -","4","1","","Alajarin, Mateo; Bañon, Daniel; Egea, Adrian; Marín-Luna, Marta; Orenes, Raul-Angel; Vidal, Angel","Accessing polysubstituted oxazolidines, pyrrolidines and imidazolidines by regioselective [3 + 2] annulations of ketenimines with donor‒acceptor oxiranes and aziridines","Organic Chemistry Frontiers","2018","5","13","2020","","10.1039/C8QO00255J","","","0.71073","MoKα","","0.0631","0.0463","","","0.1027","0.1119","","","","","","0.918","","","","has coordinates,has disorder","237103","2020-10-21","18:00:00",""
"1554296","12.143","0.003","10.204","0.002","18.499","0.004","90","","94.972","0.012","90","","2283.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O4 S2 -","- C23 H24 N2 O4 S2 -","- C92 H96 N8 O16 S8 -","4","1","","Luo, Fan; Lu, Yu; Hu, Mengjie; Tian, Junsong; Zhang, Lei; Bao, Wangzhen; Yan, Chao; Huang, Xin; Wang, Zhi-Xiang; Peng, Bo","Reductive ortho C‒H cyanoalkylation of aryl(heteroaryl) sulfoxides: a general approach to α-aryl(heteroaryl) nitriles","Organic Chemistry Frontiers","2018","5","11","1756","","10.1039/C8QO00268A","","","0.71073","MoKα","","","0.0564","","","0.1209","0.1367","","","","","","1.052","","","","has coordinates","237105","2020-10-21","18:00:00",""
"1554297","9.0286","0.0006","24.083","0.0016","10.3285","0.0007","90","","114.965","0.003","90","","2036","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 S2 -","- C21 H22 N2 O2 S2 -","- C84 H88 N8 O8 S8 -","4","1","","Luo, Fan; Lu, Yu; Hu, Mengjie; Tian, Junsong; Zhang, Lei; Bao, Wangzhen; Yan, Chao; Huang, Xin; Wang, Zhi-Xiang; Peng, Bo","Reductive ortho C‒H cyanoalkylation of aryl(heteroaryl) sulfoxides: a general approach to α-aryl(heteroaryl) nitriles","Organic Chemistry Frontiers","2018","5","11","1756","","10.1039/C8QO00268A","","","0.71073","MoKα","","","0.0439","","","0.1166","0.1287","","","","","","1.065","","","","has coordinates","237105","2020-10-21","18:00:00",""
"1554298","10.4066","0.0014","26.417","0.004","12.0692","0.0014","90","","90","","90","","3318","0.8","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7009","","- C26 H39 Cl2 Co N3 O12 -","- C26 H39 Cl2 Co N3 O12 -","- C104 H156 Cl8 Co4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.1363","0.0755","","","0.1596","0.1969","","","","","","1.003","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554299","10.3907","0.0009","11.9429","0.0011","26.537","0.003","90","","90","","90","","3293.1","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7163","","- C26 H39 Cl2 N3 Ni O12 -","- C26 H39 Cl2 N3 Ni O12 -","- C104 H156 Cl8 N12 Ni4 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.128","0.0735","","","0.1546","0.1907","","","","","","1.011","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554300","6.96436","0.00013","7.91974","0.00013","15.2392","0.0003","90","","92.2266","0.0016","90","","839.9","0.03","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","ZHY8126","","- C22 H18 O -","- C22 H18 O -","- C44 H36 O2 -","2","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","1.54184","CuKα","","0.041","0.0395","","","0.1052","0.1077","","","","","","1.029","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554301","10.3081","0.0003","11.98","0.0002","26.1548","0.0005","90","","90","","90","","3229.88","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","zhy8105","","- C26 H41 Cl2 Fe N3 O12 -","- C26 H41 Cl2 Fe N3 O12 -","- C104 H164 Cl8 Fe4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","x-ray","1.54184","CuKα","","0.0535","0.0491","","","0.1266","0.1292","","","","","","1.066","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554302","10.0093","0.0002","14.3918","0.0003","10.7208","0.0002","90","","104.176","0.002","90","","1497.32","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Yu, Ji-cong; Yu, Le-mao; Zhao, Xiao-yun; Gan, Lu; Zhu, Wei-wei; Wang, Ze-chen; Wang, Rui; Jiang, Xianxing","Organocatalytic asymmetric [3 + 2] annulation of 1,4-dithiane-2,5-diol with azlactones: access to chiral dihydrothiophen-2(3H)-one derivatives","Organic Chemistry Frontiers","2018","5","13","2040","","10.1039/C8QO00305J","","x-ray","1.54184","CuKα","","0.031","0.0297","","","0.0746","0.0756","","","","","","1.037","","","","has coordinates","237108","2020-10-21","18:00:00",""
"1554303","6.54242","0.00011","22.4359","0.0003","10.03319","0.00017","90","","102.165","0.0017","90","","1439.65","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","Yu, Ji-cong; Yu, Le-mao; Zhao, Xiao-yun; Gan, Lu; Zhu, Wei-wei; Wang, Ze-chen; Wang, Rui; Jiang, Xianxing","Organocatalytic asymmetric [3 + 2] annulation of 1,4-dithiane-2,5-diol with azlactones: access to chiral dihydrothiophen-2(3H)-one derivatives","Organic Chemistry Frontiers","2018","5","13","2040","","10.1039/C8QO00305J","","x-ray","1.54184","CuKα","","0.0359","0.0348","","","0.0929","0.094","","","","","","1.057","","","","has coordinates","237108","2020-10-21","18:00:00",""
"1554304","5.9758","0.0003","8.5937","0.0004","15.7695","0.0007","90","","93.352","0.002","90","","808.45","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C34 H36 Cl2 N2 O4 -","2","1","","Hu, Yang; Yin, Xuguang; Chen, Ziyi; Dong, Xiu-Qin; Zhang, Xumu","Highly enantioselective Ir/f-amphox-catalyzed hydrogenation of ketoamides: efficient access to chiral hydroxy amides","Organic Chemistry Frontiers","2018","5","12","2000","","10.1039/C8QO00307F","","","1.54178","CuKα","","0.0426","0.0371","","","0.1144","0.1175","","","","","","1.131","","","","has coordinates","237110","2020-10-21","18:00:00",""
"1554305","6.4792","0.0004","25.1943","0.0014","10.1094","0.0006","90","","106.673","0.006","90","","1580.87","0.17","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H7 Cl4 F10 N3 O2 -","- C32 H7 Cl4 F10 N3 O2 -","- C64 H14 Cl8 F20 N6 O4 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0694","0.0441","","","0.0889","0.1004","","","","","","1.025","","","","has coordinates","237111","2020-10-21","18:00:00",""
"1554306","6.3689","0.0005","19.2075","0.001","14.4005","0.0009","90","","96.153","0.007","90","","1751.5","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H11 Cl2 F10 N5 O2.5 -","- C36 H11 Cl2 F10 N5 O2.5 -","- C72 H22 Cl4 F20 N10 O5 -","2","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0931","0.0683","","","0.2181","0.2414","","","","","","1.117","","","","has coordinates","237111","2020-10-21","18:00:00",""
"1554307","18.5573","0.001","18.3335","0.0013","14.8419","0.001","90","","90","","90","","5049.5","0.6","180","0.1","180","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C38 H7 Br2 F10 N5 O3 -","- C38 H7 Br2 F10 N5 O3 -","- C152 H28 Br8 F40 N20 O12 -","4","0.5","","Wang, Jun-Fei; Yao, Yuhang; Ning, Yingying; Meng, Yin-Shan; Hou, Chun-Liang; Zhang, Jing; Zhang, Jun-Long","The design of rigid cyclic tripyrrins: the importance of intermolecular interactions on aggregation and luminescence","Organic Chemistry Frontiers","2018","5","12","1877","","10.1039/C8QO00313K","","x-ray","0.71073","MoKα","","0.0938","0.0702","","","0.1845","0.2056","","","","","","1.065","","","","has coordinates,has disorder","237111","2020-10-21","18:00:00",""
"1554308","8.2423","0.0002","18.2962","0.0006","34.5544","0.0012","90","","90","","90","","5210.9","0.3","117.5","0.3","117.5","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 F N O8 S -","- C28 H26 F N O8 S -","- C224 H208 F8 N8 O64 S8 -","8","1","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","1.54184","CuKα","","0.0828","0.0624","","","0.1503","0.167","","","","","","1.01","","","","has coordinates","237113","2020-10-21","18:00:00",""
"1554309","21.4204","0.0015","21.5628","0.0012","14.5587","0.0008","90","","97.091","0.006","90","","6673","0.7","135","0.1","135","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.8 H27.6 N2 O10 S -","- C28.8 H27.6 N2 O10 S -","- C230.4 H220.8 N16 O80 S8 -","8","2","","Xing, Siyang; Cui, Hong; Qin, Jiajing; Gu, Nan; Zhang, Bowei; Wang, Kui; Wang, Ying; Xia, Li; Wang, Yumeng","Diastereoselective synthesis of cis-1,3-disubstituted isoindolines via a highly site-selective tandem cyclization reaction","Organic Chemistry Frontiers","2018","5","12","1950","","10.1039/C8QO00316E","","x-ray","0.71073","MoKα","","0.1508","0.0971","","","0.2658","0.32","","","","","","1.057","","","","has coordinates,has disorder","237113","2020-10-21","18:00:00",""
"1554310","10.5915","0.0002","15.1258","0.0002","9.0257","0.0002","90","","109.468","0.002","90","","1363.29","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Zheng, Wei-Feng; Zhang, Wanli; Huang, Jianhao; Yu, Yibo; Qian, Hui; Ma, Shengming","2,3-Allenoic acids via palladium-catalyzed carboxylation of propargylic alcohols","Organic Chemistry Frontiers","2018","5","12","1900","","10.1039/C8QO00318A","","x-ray","1.54184","CuKα","","0.0407","0.0369","","","0.0989","0.1021","","","","","","1.014","","","","has coordinates","237115","2020-10-21","18:00:00",""
"1554311","5.6491","0.0004","11.5037","0.0011","11.5175","0.0007","111.795","0.007","99.48","0.006","90.087","0.007","683.87","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Zheng, Wei-Feng; Zhang, Wanli; Huang, Jianhao; Yu, Yibo; Qian, Hui; Ma, Shengming","2,3-Allenoic acids via palladium-catalyzed carboxylation of propargylic alcohols","Organic Chemistry Frontiers","2018","5","12","1900","","10.1039/C8QO00318A","","x-ray","1.54184","CuKα","","0.0879","0.068","","","0.2031","0.2213","","","","","","1.06","","","","has coordinates","237116","2020-10-21","18:00:00",""
"1554312","10.573","0.004","7.311","0.002","11.35","0.004","90","","115.216","0.005","90","","793.7","0.5","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 Br O4 -","- C16 H17 Br O4 -","- C32 H34 Br2 O8 -","2","1","","Li, Sujia; Lv, Jian; Luo, Sanzhong","Enantioselective indium(i)-catalyzed [4 + 2] annulation of alkoxyallenes and β,γ-unsaturated α-keto esters","Organic Chemistry Frontiers","2018","5","11","1787","","10.1039/C8QO00319J","","","0.71073","MoKα","","0.0388","0.0359","","","0.077","0.0793","","","","","","1.076","","","","has coordinates","237118","2020-10-21","18:00:00",""
"1554313","8.46","0.02","9.59","0.02","11.8","0.03","97.55","0.09","104.24","0.19","108.51","0.13","857","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Q3","","","- C20 H18 N4 O2 -","- C20 H18 N4 O2 -","- C40 H36 N8 O4 -","2","1","","Toonchue, Saowanee; Sumunnee, Ladawan; Phomphrai, Khamphee; Yotphan, Sirilata","Metal-free direct oxidative C‒C bond coupling of pyrazolones and quinoxalinones","Organic Chemistry Frontiers","2018","5","12","1928","","10.1039/C8QO00328A","","","0.71073","","","0.0784","0.0461","","","0.1022","0.1147","","","","","","1.049","","","","has coordinates","237120","2020-10-21","18:00:00",""
"1554314","9.998","0.005","9.281","0.004","14.416","0.006","90","","95.77","0.02","90","","1330.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Q5","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","","Toonchue, Saowanee; Sumunnee, Ladawan; Phomphrai, Khamphee; Yotphan, Sirilata","Metal-free direct oxidative C‒C bond coupling of pyrazolones and quinoxalinones","Organic Chemistry Frontiers","2018","5","12","1928","","10.1039/C8QO00328A","","","0.71073","","","0.0416","0.037","","","0.0957","0.0993","","","","","","1.066","","","","has coordinates","237120","2020-10-21","18:00:00",""
"1554315","7.3563","0.0012","46.699","0.007","12.909","0.002","90","","92.798","0.004","90","","4429.4","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H40.5 O3.25 Si -","- C20 H40.5 O3.25 Si -","- C160 H324 O26 Si8 -","8","4","","Santalla, Hugo; Garrido, Fátima; Gómez, Generosa; Fall, Yagamare","A more reliable synthesis of a Gemini vitamin D analog, a potentially effective chemotherapeutic agent for the treatment of colorectal carcinomas","Organic Chemistry Frontiers","2018","5","13","2016","","10.1039/C8QO00338F","","","0.71073","MoKα","","0.2634","0.1846","","","0.3663","0.4018","","","","","","1.088","","","","has coordinates","237122","2020-10-21","18:00:00",""
"1554316","10.1535","0.0002","10.5316","0.0002","25.565","0.0006","90","","90","","90","","2733.73","0.1","297.6","0.8","297.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O5 -","- C32 H31 N O5 -","- C128 H124 N4 O20 -","4","1","","Duan, Chuan-Qi; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric [4 + 2] cycloadditions with 3-furfural derivatives and α-cyano-α,β-unsaturated ketones","Organic Chemistry Frontiers","2018","5","13","2057","","10.1039/C8QO00351C","","x-ray","1.54184","CuKα","","0.0447","0.0432","","","0.1184","0.1208","","","","","","1.0435","","","","has coordinates","237124","2020-10-21","18:00:00",""
"1554317","10.0726","0.0019","10.735","0.002","19.604","0.004","82.045","0.004","86.428","0.005","81.212","0.005","2072.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Br N O2 S -","- C23 H20 Br N O2 S -","- C92 H80 Br4 N4 O8 S4 -","4","2","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1374","0.0618","","","0.1248","0.1556","","","","","","0.968","","","","has coordinates","237126","2020-10-21","18:00:00",""
"1554318","9.447","0.004","10.559","0.005","12.512","0.006","76.431","0.008","77.755","0.009","64.585","0.007","1087","0.9","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C52 H46 N2 O4 S2 -","2","1","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1889","0.0964","","","0.2442","0.3157","","","","","","1.014","","","","has coordinates","237126","2020-10-21","18:00:00",""
"1554319","11.7526","0.0016","13.4984","0.0019","13.5265","0.0019","90","","92.44","0.004","90","","2143.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Jiang, Bo; Wei, Yin; Shi, Min","Gold- and silver-catalyzed intramolecular annulation and rearrangement of aniline-linked 1,6-enynes containing methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2091","","10.1039/C8QO00358K","","","0.71073","MoKα","","0.1633","0.0757","","","0.1824","0.2426","","","","","","1.047","","","","has coordinates","237126","2020-10-21","18:00:00",""
"1554320","9.00774","0.00012","11.44511","0.00014","29.0288","0.0003","90","","90","","90","","2992.71","0.06","293.8","0.5","293.8","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2R,3R,3aS)-1'-benzyl-2'-oxo-1,2-dihydro-3aH-spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indoline]-1,2-diyl)bis(phenylmethanone)","","- C38 H28 N2 O3 S -","- C38 H28 N2 O3 S -","- C152 H112 N8 O12 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0518","0.0487","","","0.1321","0.1365","","","","","","1.037","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554321","14.8962","0.0011","11.3205","0.0008","20.153","0.002","90","","102.279","0.009","90","","3320.7","0.5","293","2","293.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H28 N2 O4 S -","- C38 H28 N2 O4 S -","- C152 H112 N8 O16 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1095","0.1153","","","","","","1.052","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554322","6.3467","0.00018","16.1435","0.0004","10.7987","0.0003","90","","96.301","0.003","90","","1099.73","0.05","295.97","0.11","295.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N O4 S -","- C26 H21 N O4 S -","- C52 H42 N2 O8 S2 -","2","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0639","0.0618","","","0.1519","0.1572","","","","","","1.077","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554323","10.4185","0.0009","15.4927","0.0012","15.8277","0.0018","90","","95.756","0.008","90","","2541.9","0.4","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H22 Cl N O2 S -","- C30 H22 Cl N O2 S -","- C120 H88 Cl4 N4 O8 S4 -","4","2","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","0.71073","MoKα","","0.1377","0.1004","","","0.2762","0.3105","","","","","","1.026","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554324","9.2007","0.0002","9.2791","0.0004","14.237","0.0005","97.598","0.003","91.193","0.003","97.349","0.003","1194.02","0.07","139","","139","","","","","","","","","7","P 1","P 1","1","","","","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","- C31 H56 F6 Mg N4 O14 S2 -","1","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0653","0.061","","","0.1662","0.1745","","","","","","1.023","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554325","8.2339","0.0002","14.7918","0.0004","17.1794","0.0005","101.33","0.002","95.203","0.002","106.126","0.002","1947.28","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","2","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","x-ray","1.54184","CuKα","","0.0445","0.0407","","","0.0982","0.1005","","","","","","1.03","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1554326","19.5242","0.0003","8.4475","0.0001","25.582","0.0004","90","","107.178","0.002","90","","4031.04","0.11","100","10","100","10","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N3 O2 -","- C25 H16 F3 N3 O2 -","- C200 H128 F24 N24 O16 -","8","2","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","","1.54178","CuKα","","0.0536","0.0494","","","0.141","0.1456","","","","","","1.057","","","","has coordinates","237130","2020-10-21","18:00:00",""
"1554327","18.7671","0.0001","18.7671","0.0001","24.2076","0.0003","90","","90","","90","","8526.01","0.12","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C26 H21 F2 N3 -","- C26 H21 F2 N3 -","- C416 H336 F32 N48 -","16","1","","Liu, Yun-Lin; Mao, Xiang-Yu; Lin, Xiao-Tong; Chen, Guo-Shu","A Zn(OTf)2 catalyzed Ugi-type reaction of 3-(2-isocyanoethyl)indoles with indole-derived ketimines: rapid access to hexacyclic spiroindolines","Organic Chemistry Frontiers","2018","5","15","2303","","10.1039/C8QO00382C","","x-ray","1.54184","CuKα","","0.0426","0.0395","","","0.098","0.1","","","","","","1.041","","","","has coordinates","237130","2020-10-21","18:00:00",""
"1554328","57.5837","0.0019","5.8021","0.0002","8.0527","0.0003","90","","90","","90","","2690.46","0.16","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H15 Cl O -","- C16 H15 Cl O -","- C128 H120 Cl8 O8 -","8","1","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2030","","10.1039/C8QO00386F","","","0.71073","MoKα","","0.0589","0.0509","","","0.123","0.1297","","","","","","1.067","","","","has coordinates","237132","2020-10-21","18:00:00",""
"1554329","10.0641","0.0003","10.4692","0.0002","12.4244","0.0003","90.033","0.001","93.737","0.001","96.649","0.001","1297.46","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 F3 O2 S -","- C12 H13 F3 O2 S -","- C48 H52 F12 O8 S4 -","4","2","","Chen, Mintao; Wei, Yin; Shi, Min","A facile method for the synthesis of trifluoromethylthio-/chloro-homoallylic alcohols from methylenecyclopropanes","Organic Chemistry Frontiers","2018","5","13","2030","","10.1039/C8QO00386F","","","0.71073","MoKα","","0.0544","0.0413","","","0.1119","0.1252","","","","","","1.026","","","","has coordinates","237132","2020-10-21","18:00:00",""
"1554330","12.134","0.003","13.857","0.004","17.116","0.004","70.214","0.005","75.507","0.005","73.496","0.005","2558.3","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O2 -","- C66 H78 O2 -","- C132 H156 O4 -","2","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1305","0.0604","","","0.1323","0.1658","","","","","","1.006","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554331","9.3311","0.0006","9.8219","0.0006","16.1042","0.001","103.794","0.001","94.992","0.001","112.566","0.001","1297.14","0.14","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C68 H74 -","- C68 H74 -","- C68 H74 -","1","0.5","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.0998","0.064","","","0.1856","0.203","","","","","","1.1","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554332","15.3329","0.0008","18.3488","0.001","15.6332","0.0008","90","","99.6319","0.001","90","","4336.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C95.5 H118 Cl4.5 O4.93 -","- C95.5 H118 Cl4.497 O4.855 -","- C191 H236 Cl8.994 O9.71 -","2","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1041","0.0787","","","0.2132","0.2326","","","","","","1.061","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554333","32.048","0.0019","25.4121","0.0015","26.3829","0.0015","90","","102.865","0.0011","90","","20947","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C127.75 H123 O1.75 -","- C127.75 H123 O1.75 -","- C1022 H984 O14 -","8","1","","Yang, Wenlong; Kazemi, Rezvan R.; Karunathilake, Nelum; Catalano, Vincent J.; Alpuche-Aviles, Mario A.; Chalifoux, Wesley A.","Expanding the scope of peropyrenes and teropyrenes through a facile InCl3-catalyzed multifold alkyne benzannulation","Organic Chemistry Frontiers","2018","5","15","2288","","10.1039/C8QO00389K","","","0.71073","MoKα","","0.1598","0.0833","","","0.2135","0.244","","","","","","1.025","","","","has coordinates,has disorder","237134","2020-10-21","18:00:00",""
"1554334","9.5467","0.0009","13.5703","0.0018","26.06","0.002","90","","90","","90","","3376.1","0.6","294.24","0.1","294.24","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl0.07 Fe N O -","- C9.06667 H9.06667 Cl0.8 Fe0.266667 N0.8 O1.06667 -","- C136 H136 Cl12 Fe4 N12 O16 -","15","3.75","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.079","0.0679","","","0.1643","0.1774","","","","","","1.082","","","","has coordinates","237136","2020-10-21","18:00:00",""
"1554335","12.0535","0.0003","12.0535","0.0003","43.8649","0.0013","90","","90","","90","","6373","0.3","139.05","0.1","139.05","0.1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C34 H35 Cl2 Fe N3 O4 -","- C34 H35 Cl2 Fe N3 O4 -","- C272 H280 Cl16 Fe8 N24 O32 -","8","1","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.0745","0.063","","","0.1467","0.1552","","","","","","1.07","","","","has coordinates","237136","2020-10-21","18:00:00",""
"1554336","18.4603","0.0003","16.6736","0.0003","13.8087","0.001","90","","103.239","0.007","90","","4137.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(1R,2R,4aS,12bS)-1-chloro-2-hydroxy-2,5,5,7-tetramethyl-1,2,3,4,4a,5,7,12b-octahydro-12H-isochromeno[3,4-b]quinolin-12-one","","- C20.57 H26.27 Cl N O3.57 -","- C20 H24 Cl N O3 -","- C160 H192 Cl8 N8 O24 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1415","0.0783","","","0.2","0.2755","","","","","","1.043","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554337","11.4568","0.0005","11.4834","0.0003","14.2866","0.0007","94.508","0.003","106.183","0.004","90.764","0.002","1798.31","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.0761","0.0637","","","0.1833","0.1899","","","","","","1.062","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554338","17.0841","0.0012","18.7193","0.0011","11.1858","0.0007","90","","100.62","0.007","90","","3516","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C160 H200 N8 O32 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.054","0.0402","","","0.105","0.1242","","","","","","1.135","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554339","11.3027","0.0005","7.2512","0.0002","23.102","0.0016","90","","98.784","0.007","90","","1871.19","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N O5 -","- C20 H24 Cl N O5 -","- C80 H96 Cl4 N4 O20 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.0596","0.0463","","","0.1156","0.1277","","","","","","1.084","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554340","7.508","0.0002","11.2397","0.0003","21.9828","0.0015","90","","90","","90","","1855.08","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9R,10R,10aS)-10-chloro-9-hydroxy-6,6,9,12-tetramethyl-6,6a,7,8,9,10,10a,12-octahydro-11H-isochromeno[4,3-c]quinolin-11-one)","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1108","0.0543","","","0.0941","0.141","","","","","","1.14","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554341","17.278","0.002","12.6989","0.001","17.255","0.002","90","","102.191","0.013","90","","3700.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O4 -","- C20 H22 Cl N O4 -","- C160 H176 Cl8 N8 O32 -","8","2","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.1125","0.0613","","","0.1331","0.1521","","","","","","1.026","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554342","16.127","0.0008","7.209","0.0004","16.3705","0.0009","90","","91.08","0.005","90","","1902.89","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","x-ray","0.71073","MoKα","","0.0917","0.0692","","","0.1793","0.1929","","","","","","1.066","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554343","10.2096","0.0003","12.8487","0.0004","12.9425","0.0004","90","","107.01","0.004","90","","1623.53","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","0.71073","MoKα","","0.0431","0.0379","","","0.1059","0.1095","","","","","","1.069","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554344","5.5872","0.0007","13.9109","0.0013","14.4106","0.0018","112.533","0.01","98.978","0.011","94.422","0.009","1010.3","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O5 S -","- C24 H24 O5 S -","- C48 H48 O10 S2 -","2","1","","Cui, Zhiming; Zhu, Baofu; Li, Xuechen; Cao, Hua","Access to sulfonylated furans or imidazo[1,2-a]pyridines via a metal-free three-component, domino reaction","Organic Chemistry Frontiers","2018","5","14","2219","","10.1039/C8QO00443A","","x-ray","0.71073","MoKα","","0.0762","0.0633","","","0.1555","0.1681","","","","","","1.061","","","","has coordinates","237140","2020-10-21","18:00:00",""
"1554345","10.194","0.002","14.232","0.003","12.523","0.003","90","","106.045","0.006","90","","1746.1","0.7","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3c","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan","Oxidation of active sp3C‒H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton","Organic Chemistry Frontiers","2018","5","16","2479","","10.1039/C8QO00444G","","","0.71073","MoKα","","0.1014","0.0609","","","0.1599","0.1822","","","","","","1.067","","","","has coordinates,has disorder","237143","2020-10-21","18:00:00",""
"1554346","9.1376","0.0008","9.5813","0.0009","10.8392","0.001","105.957","0.003","95.789","0.003","98.506","0.003","892.32","0.14","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Jia, Xiaodong; Hou, Wentao; Chen, Qian; Yuan, Yu; Sun, Jing; He, Kaixuan","Oxidation of active sp3C‒H bonds initiated consecutive intermolecular/intramolecular cyclization between glycine derivatives ando-vinylphenols: construction of a polycyclic benzofuroquinoline skeleton","Organic Chemistry Frontiers","2018","5","16","2479","","10.1039/C8QO00444G","","","0.71073","MoKα","","0.0596","0.0459","","","0.1257","0.1347","","","","","","1.04","","","","has coordinates","237143","2020-10-21","18:00:00",""
"1554347","21.194","0.005","8.4619","0.0012","27.57","0.01","90","","109.98","0.03","90","","4647","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O -","- C11.6 H8.6 N0.8 O1.6 -","- C232 H172 N16 O32 -","20","5","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.3157","0.1526","","","0.3538","0.4478","","","","","","1.025","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554348","10.9697","0.0018","16.013","0.003","13.031","0.002","90","","105.898","0.018","90","","2201.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","x-ray","0.71073","MoKα","","0.21","0.1166","","","0.3294","0.3693","","","","","","0.991","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554349","24.1341","0.0014","25.4123","0.0013","26.638","0.0017","90","","90","","90","","16337.2","1.6","173","2","173.15","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5.5 H5.62 N0.12 O0.5 -","- C5.5 H5.625 N0.125 O0.5 -","- C704 H720 N16 O64 -","128","4","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.0942","0.0766","","","0.2293","0.244","","","","","","1.068","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554350","9.4355","0.0005","10.2231","0.0006","17.9161","0.0011","87.132","0.005","84.213","0.005","68.822","0.005","1603.09","0.17","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C68 H66 N2 O6 -","2","1","","Gong, Hai-Xian; Cao, Zhu; Li, Meng-Hua; Liao, Sai-Hu; Lin, Mei-Jin","Photoexcited perylene diimide radical anions for the reduction of aryl halides: a bay-substituent effect","Organic Chemistry Frontiers","2018","5","15","2296","","10.1039/C8QO00445E","","","0.71073","MoKα","","0.1162","0.0845","","","0.2197","0.2349","","","","","","1.068","","","","has coordinates","237146","2020-10-21","18:00:00",""
"1554351","40.9015","0.0014","40.9015","0.0014","9.3338","0.0005","90","","90","","90","","15614.8","1.1","100","","100","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C45 H68 N2 O2 -","- C45 H68 N2 O2 -","- C720 H1088 N32 O32 -","16","1","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","x-ray","1.54178","CuKα","","0.053","0.039","","","0.0921","0.1006","","","","","","1.038","","","","has coordinates","237149","2020-10-21","18:00:00",""
"1554352","21.6194","0.0008","10.6383","0.0004","26.8304","0.001","90","","95.299","0.002","90","","6144.4","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H78 B2 F8 Fe N2 O2 -","- C56 H78 B2 F8 Fe N2 O2 -","- C224 H312 B8 F32 Fe4 N8 O8 -","4","0.5","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","","0.71073","MoKα","","0.068","0.0546","","","0.1126","0.1185","","","","","","1.039","","","","has coordinates,has disorder","237149","2020-10-21","18:00:00",""
"1554353","21.3381","0.0005","10.2919","0.0003","24.6126","0.0006","90","","111.615","0.001","90","","5025.1","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H71 B2 F8 N3 O2 -","- C47 H71 B2 F8 N3 O2 -","- C188 H284 B8 F32 N12 O8 -","4","1","","Mahoney, Janell K.; Regnier, Vianney; Romero, Erik A.; Molton, Florian; Royal, Guy; Jazzar, Rodolphe; Martin, David; Bertrand, Guy","The serendipitous discovery of a readily available redox-bistable molecule derived from cyclic(alkyl)(amino)carbenes","Organic Chemistry Frontiers","2018","5","13","2073","","10.1039/C8QO00447A","","x-ray","1.54178","CuKα","","0.0641","0.0515","","","0.1361","0.1447","","","","","","1.03","","","","has coordinates,has disorder","237149","2020-10-21","18:00:00",""
"1554354","6.4711","0.0006","15.6577","0.0015","9.2786","0.0009","90","","90.334","0.007","90","","940.12","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O7 -","- C19 H26 O7 -","- C38 H52 O14 -","2","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.1943","0.1909","","","0.4189","0.4274","","","","","","1.932","","","","has coordinates","237151","2020-10-21","18:00:00",""
"1554355","6.6084","0.0001","11.8396","0.0002","22.9114","0.0004","90","","90","","90","","1792.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.0305","0.0305","","","0.0772","0.0772","","","","","","1.131","","","","has coordinates","237151","2020-10-21","18:00:00",""
"1554356","7.2615","0.0001","11.8328","0.0002","14.2292","0.0003","90","","94.546","0.002","90","","1218.78","0.04","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N S2 -","- C14 H11 N S2 -","- C56 H44 N4 S8 -","4","1","","Tan, Wei; Wang, Cuihong; Jiang, Xuefeng","Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction","Organic Chemistry Frontiers","2018","5","15","2390","","10.1039/C8QO00481A","","x-ray","1.54184","CuKα","","0.0363","0.0343","","","0.094","0.0954","","","","","","1.071","","","","has coordinates","237153","2020-10-21","18:00:00",""
"1554357","8.3766","0.0002","6.2895","0.0001","25.7206","0.0006","90","","95.618","0.002","90","","1348.57","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N S2 -","- C15 H13 N S2 -","- C60 H52 N4 S8 -","4","1","","Tan, Wei; Wang, Cuihong; Jiang, Xuefeng","Green carbon disulfide surrogateviaa combination of potassium sulfide and chloroform for benzothiazine-thione and benzothiazole-thione construction","Organic Chemistry Frontiers","2018","5","15","2390","","10.1039/C8QO00481A","","x-ray","1.54184","CuKα","","0.0488","0.042","","","0.1073","0.1121","","","","","","1.043","","","","has coordinates","237153","2020-10-21","18:00:00",""
"1554358","12.874","0.0005","4.9","0.0002","13.9299","0.0006","90","","93.36","0.003","90","","877.22","0.06","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Cheng, Yuyu; Fang, Zhiqiang; Li, Wenjun; Li, Pengfei","Phosphine-mediated enantioselective [4 + 1] annulations between ortho-quinone methides and Morita‒Baylis‒Hillman carbonates","Organic Chemistry Frontiers","2018","5","18","2728","","10.1039/C8QO00487K","","x-ray","1.54178","CuKα","","0.079","0.0699","","","0.1821","0.1928","","","","","","1.048","","","","has coordinates,has disorder","237154","2020-10-21","18:00:00",""
"1554359","9.6906","0.0009","10.9669","0.0011","11.5436","0.0013","70.045","0.01","86.183","0.008","84.832","0.008","1147.6","0.2","295.1","0.2","295.1","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 B2 N O4 -","- C21 H31 B2 N O4 -","- C42 H62 B4 N2 O8 -","2","1","","Gao, Guoliang; Kuang, Zhijie; Song, Qiuling","Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2","Organic Chemistry Frontiers","2018","5","14","2249","","10.1039/C8QO00513C","","x-ray","0.71073","MoKα","","0.1265","0.0724","","","0.1726","0.2056","","","","","","1.032","","","","has coordinates","237156","2020-10-21","18:00:00",""
"1554360","10.0513","0.0014","15.5408","0.0016","19.0622","0.0018","88.904","0.008","83.3","0.01","87.795","0.01","2954.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H42 B2 O5 -","- C30 H42 B2 O5 -","- C120 H168 B8 O20 -","4","2","","Gao, Guoliang; Kuang, Zhijie; Song, Qiuling","Functionalized geminal-diborylalkanes from various electron-deficient alkynes and B2pin2","Organic Chemistry Frontiers","2018","5","14","2249","","10.1039/C8QO00513C","","","0.71073","MoKα","","0.1816","0.0933","","","0.2566","0.3251","","","","","","1.012","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554361","10.3174","0.0005","12.4692","0.0006","20.4932","0.001","90","","96.89","0.001","90","","2617.4","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 Cl3 N2 Pd -","- C28 H31 Cl3 N2 Pd -","- C112 H124 Cl12 N8 Pd4 -","4","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0291","0.0258","","","0.0618","0.0636","","","","","","1.023","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554362","10.0241","0.0006","11.2921","0.0007","11.727","0.0007","92.4","0.002","105.358","0.001","106.802","0.001","1215.24","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 Cl N2 O Pd -","- C28 H31 Cl N2 O Pd -","- C56 H62 Cl2 N4 O2 Pd2 -","2","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0232","0.0216","","","0.057","0.058","","","","","","1.063","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554363","18.6245","0.0007","13.7023","0.0006","22.6048","0.0011","90","","90","","90","","5768.7","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl F3 N2 Pd -","- C28 H28 Cl F3 N2 Pd -","- C224 H224 Cl8 F24 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0752","0.0525","","","0.1484","0.1683","","","","","","1.052","","","","has coordinates,has disorder","237157","2020-10-21","18:00:00",""
"1554364","18.9753","0.0007","19.6328","0.0008","20.1865","0.0008","90","","90","","90","","7520.2","0.5","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H39 Cl N2 Pd -","- C48 H39 Cl N2 Pd -","- C384 H312 Cl8 N16 Pd8 -","8","1","","Jin, Liqun; Wei, Wei; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan","Unsymmetrical CNN-palladacycles with geometry-constrained iminopyridyl ligands: an efficient precatalyst in Suzuki coupling for accessing 1,1-diarylalkanes from secondary benzylic bromides","Organic Chemistry Frontiers","2018","5","16","2484","","10.1039/C8QO00517F","","","0.71073","MoKα","","0.0436","0.0295","","","0.0645","0.0701","","","","","","1.041","","","","has coordinates","237157","2020-10-21","18:00:00",""
"1554365","12.6497","0.0005","9.0221","0.0002","14.1532","0.0005","90","","113.568","0.004","90","","1480.53","0.1","294.46","0.1","294.46","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H32 Br N3 O3 -","- C35 H32 Br N3 O3 -","- C70 H64 Br2 N6 O6 -","2","1","","Mei, Hongjiang; Lin, Lili; Shen, Bin; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective desymmetrization of prochiral cyclic α,α-dicyanoalkenes via the direct vinylogous Michael/cyclization domino reaction","Organic Chemistry Frontiers","2018","5","16","2505","","10.1039/C8QO00545A","","x-ray","1.54184","CuKα","","0.0462","0.0455","","","0.1144","0.1157","","","","","","1.072","","","","has coordinates","237159","2020-10-21","18:00:00",""
"1554366","18.6922","0.0009","5.447","0.0003","14.5323","0.0007","90","","92.936","0.004","90","","1477.68","0.13","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(methylsulfonyl)-8-phenyl-2,8-dihydroindeno[1,2-c]pyrrole","","- C18 H15 N O2 S -","- C18 H15 N O2 S -","- C72 H60 N4 O8 S4 -","4","1","","Shen, Wen-Bo; Zhou, Bo; Zhang, Zhi-Xin; Yuan, Han; Fang, Wei; Ye, Long-Wu","Gold-catalyzed cascade cyclization of N-propargyl ynamides: rapid access to functionalized indeno[1,2-c]pyrroles","Organic Chemistry Frontiers","2018","5","16","2468","","10.1039/C8QO00552D","","x-ray","1.54184","CuKα","","0.0473","0.0457","","","0.1183","0.1198","","","","","","1.081","","","","has coordinates","237160","2020-10-21","18:00:00",""
"1554367","7.5235","0.0007","5.5446","0.0008","10.2976","0.001","90","","99.85","0.01","90","","423.23","0.08","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N O -","- C10 H9 N O -","- C20 H18 N2 O2 -","2","1","","Wu, Qi; Li, Yabo; Wang, Chenyang; Zhang, Jianye; Huang, Mengmeng; Kim, Jung Keun; Wu, Yangjie","1,4-Refunctionalization of β-diketones to γ-keto nitriles via C‒C single bond cleavage","Organic Chemistry Frontiers","2018","5","16","2496","","10.1039/C8QO00556G","","x-ray","1.54184","CuKα","","0.0863","0.0682","","","0.1904","0.2218","","","","","","1.054","","","","has coordinates","237161","2020-10-21","18:00:00",""
"1554368","7.933","0.0006","11.1848","0.0007","13.1762","0.001","72.919","0.006","73.841","0.006","84.499","0.005","1073.26","0.14","100","2","100.15","","","","","","","","Synthesis","5","P -1","-P 1","2","5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline","5,6-Diphenyl-3-(trifluoromethoxy)indazolo[2,3-a]quinoline","","- C28 H17 F3 N2 O1.01 -","- C28 H17 F3 N2 O -","- C56 H34 F6 N4 O2 -","2","1","","Vivek Kumar, Sundaravel; Ellairaja, Sundaram; Satheesh, Vanaparthi; Sivasamy Vasantha, Vairathevar; Punniyamurthy, Tharmalingam","Rh-Catalyzed regioselective C‒H activation and C‒C bond formation: synthesis and photophysical studies of indazolo[2,3-a]quinolines","Organic Chemistry Frontiers","2018","5","18","2630","","10.1039/C8QO00557E","","x-ray","0.71073","MoKα","","0.1282","0.0827","","","0.1973","0.2309","","","","","","1.051","","","","has coordinates,has disorder","237163","2020-10-21","18:00:00",""
"1554369","10.757","0.009","12.558","0.01","14.389","0.012","90","","99.306","0.01","90","","1918","3","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H37 Cl3 N2 O2 -","- C43 H37 Cl3 N2 O2 -","- C86 H74 Cl6 N4 O4 -","2","1","","Lu, Yi-Nan; Ma, Chun; Lan, Jin-Ping; Zhu, Caiqiang; Mao, Yu-Jia; Mei, Guang-Jian; Zhang, Shu; Shi, Feng","Catalytic enantioselective and regioselective substitution of 2,3-indolyldimethanols with enaminones","Organic Chemistry Frontiers","2018","5","18","2657","","10.1039/C8QO00565F","","","0.71073","MoKα","","0.1189","0.0663","","","0.1372","0.1587","","","","","","0.988","","","","has coordinates","237164","2020-10-21","18:00:00",""
"1554370","22.7223","0.0019","5.7888","0.0004","25.159","0.002","90","","95.416","0.008","90","","3294.5","0.4","293","2","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Ma, Dengke; Song, Yulong; Fu, Chunling; Zhang, Fang; Guo, Yinlong; Huang, Xin; Ma, Shengming","E-Selective N-heterocyclic carbene-catalyzed reaction of aldehydes and butadienoates: effect of water and chloroform as the proton shuttle","Organic Chemistry Frontiers","2018","5","17","2560","","10.1039/C8QO00579F","","","0.71073","MoKα","","0.0817","0.0554","","","0.1329","0.1558","","","","","","1.045","","","","has coordinates","237166","2020-10-21","18:00:00",""
"1554371","10.2719","0.0007","10.4262","0.0007","11.7012","0.0008","69.168","0.002","73.012","0.002","86.849","0.002","1118.45","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N O3 S -","- C25 H22 Cl N O3 S -","- C50 H44 Cl2 N2 O6 S2 -","2","1","","Wang, Hepan; Wang, Bingbing; Sun, Song; Cheng, Jiang","Copper-catalyzed radical Heck type cyclization: a three-component reaction of DABCO·(SO2)2, aryldiazonium tetrafluoroborates and dienes toward sulfonated benzo- seven-membered nitrogen heterocycles","Organic Chemistry Frontiers","2018","5","17","2547","","10.1039/C8QO00615F","","","0.71073","MoKα","","0.0482","0.0415","","","0.1106","0.1153","","","","","","1.021","","","","has coordinates","237167","2020-10-21","18:00:00",""
"1554372","9.5372","0.0007","10.0615","0.0008","11.5029","0.0009","74.116","0.002","83.655","0.002","71.87","0.002","1008.56","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 Cl F N O6 -","- C21 H19 Cl F N O6 -","- C42 H38 Cl2 F2 N2 O12 -","2","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals","Organic Chemistry Frontiers","2018","5","17","2588","","10.1039/C8QO00623G","","","0.71073","MoKα","","0.0519","0.0403","","","0.0957","0.1035","","","","","","1.033","","","","has coordinates","237169","2020-10-21","18:00:00",""
"1554373","16.4649","0.0014","6.9417","0.0006","15.0372","0.0013","90","","93.483","0.002","90","","1715.5","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl F N2 O6 -","- C16 H14 Cl F N2 O6 -","- C64 H56 Cl4 F4 N8 O24 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Novikov, Roman A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Fluoronitroalkenes in tandem [4 + 1]/[3 + 2]-cycloaddition: one-pot three-component assembly of fluorinated bicyclic nitroso acetals","Organic Chemistry Frontiers","2018","5","17","2588","","10.1039/C8QO00623G","","","0.71073","MoKα","","0.0624","0.0423","","","0.1111","0.1236","","","","","","1.036","","","","has coordinates","237169","2020-10-21","18:00:00",""
"1554374","6.812","0.005","11.371","0.008","13.441","0.009","80.287","0.013","84.84","0.013","77.986","0.012","1002.1","1.2","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N O2 S -","- C23 H31 N O2 S -","- C46 H62 N2 O4 S2 -","2","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0764","0.055","","","0.1307","0.1388","","","","","","1.071","","","","has coordinates","237171","2020-10-21","18:00:00",""
"1554375","10.6868","0.0014","20.2","0.003","8.0112","0.001","90","","101.747","0.003","90","","1693.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0611","0.0486","","","0.1232","0.1316","","","","","","1.029","","","","has coordinates","237171","2020-10-21","18:00:00",""
"1554376","8.9632","0.001","26.894","0.003","9.2793","0.001","90","","110.151","0.002","90","","2099.9","0.4","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Han, Yulin; Ma, Shengming","Rhodium-catalyzed highly diastereoselective intramolecular [4 + 2] cycloaddition of 1,3-disubstituted allene-1,3-dienes","Organic Chemistry Frontiers","2018","5","18","2680","","10.1039/C8QO00650D","","","0.71073","MoKα","","0.0781","0.0453","","","0.106","0.1227","","","","","","1.013","","","","has coordinates","237171","2020-10-21","18:00:00",""
"1554377","11.0672","0.0002","24.0508","0.0005","11.3892","0.0002","90","","91.3083","0.0019","90","","3030.73","0.1","296.31","0.1","296.31","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N O6 -","- C36 H34 N O6 -","- C144 H136 N4 O24 -","4","2","","Yue, Jing-Fei; Ran, Guang-Yao; Yang, Xing-Xing; Du, Wei; Chen, Ying-Chun","Asymmetric Diels–Alder cycloadditions of benzofulvene-based 2,4-dienals via trienamine activation","Organic Chemistry Frontiers","2018","5","18","2676","","10.1039/C8QO00653A","","x-ray","1.54184","CuKα","","0.0565","0.0538","","","0.14","0.145","","","","","","1.02","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554378","10.2146","0.0004","11.7243","0.0005","10.2644","0.0004","90","","119.315","0.002","90","","1071.84","0.08","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C48 H52 N4 O6 -","2","1","","Zhang, Zi-Jing; Song, Jin","An isothiourea-catalyzed asymmetric formal [4 + 2] cycloaddition of in situ generated azoalkenes with C1 ammonium enolates","Organic Chemistry Frontiers","2018","5","17","2578","","10.1039/C8QO00657A","","","1.34139","GaKα","","0.0428","0.0399","","","0.0983","0.101","","","","","","1.041","","","","has coordinates","237175","2020-10-21","18:00:00",""
"1554379","10.276","0.0012","12.5669","0.0014","13.0463","0.0013","66.455","0.01","73.203","0.009","66.317","0.011","1397.8","0.3","268","40","268","40","","","","","","","","5","P -1","-P 1","2","","6o","","- C32 H27 N O5 S -","- C32 H27 N O5 S -","- C64 H54 N2 O10 S2 -","2","1","","Zhang, Changyuan; Chen, Lianfen; Chen, Kai; Wang, Chuntao; Xu, Zurong; Jiang, Huanfeng; Zhu, Shifa","Cu(i)-Catalyzed stereoselective synthesis of trisubstituted Z-enol esters via interrupting the 1,3-O-transposition reaction","Organic Chemistry Frontiers","2018","5","16","2510","","10.1039/C8QO00664D","","x-ray","0.71073","MoKα","","0.1099","0.0613","","","0.1333","0.1707","","","","","","1.064","","","","has coordinates","237176","2020-10-21","18:00:00",""
"1554380","8.611","0.0012","11.3415","0.0015","28.819","0.004","90","","90","","90","","2814.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Cl N3 O7 -","- C29 H28 Cl N3 O7 -","- C116 H112 Cl4 N12 O28 -","4","1","","Wei, Qinghua; Ma, Xiaochu; Chen, Jianghui; Niu, Li; Yang, Xi; Xia, Fei; Liu, Shunying","A triple-functionalised metal centre-catalyzed enantioselective multicomponent reaction","Organic Chemistry Frontiers","2018","5","19","2799","","10.1039/C8QO00703A","","","0.71073","MoKα","","0.1382","0.0564","","","0.1135","0.1486","","","","","","1.002","","","","has coordinates","237178","2020-10-21","18:00:00",""
"1554381","8.4477","0.0015","11.883","0.002","15.889","0.003","97.79","0.004","90.12","0.004","96.968","0.004","1568.3","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H43 I Mg N2 O -","- C29 H43 I Mg N2 O -","- C58 H86 I2 Mg2 N4 O2 -","2","1","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0749","0.0511","","","0.1217","0.1345","","","","","","1.02","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554382","12.5799","0.0011","19.2069","0.0016","20.3357","0.0017","90","","102.473","0.002","90","","4797.6","0.7","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Mg N2 -","- C25 H33 Mg N2 -","- C200 H264 Mg8 N16 -","8","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0853","0.0641","","","0.181","0.1988","","","","","","1.024","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554383","21.9804","0.0013","19.3508","0.0011","11.283","0.0007","90","","90","","90","","4799.1","0.5","140","2","140","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H33 Mg N2 -","- C25 H33 Mg N2 -","- C200 H264 Mg8 N16 -","8","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1069","0.0662","","","0.0993","0.1125","","","","","","1.157","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554384","11.0139","0.0012","11.3202","0.0012","18.565","0.002","75.316","0.003","83.401","0.003","62.905","0.003","1993.3","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H58 Mg N4 -","- C46 H58 Mg N4 -","- C92 H116 Mg2 N8 -","2","1","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1505","0.0747","","","0.1632","0.1991","","","","","","1.028","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554385","11.4271","0.0014","17.954","0.002","20.908","0.003","90","","93.495","0.003","90","","4281.6","0.9","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 Mg N2 -","- C54 H53 Mg N2 -","- C216 H212 Mg4 N8 -","4","1","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0857","0.0559","","","0.1467","0.1664","","","","","","1.023","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554386","21.607","0.002","13.2782","0.0012","14.0261","0.0013","90","","90","","90","","4024.1","0.6","130","2","130","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C48 H49 Cl2 N2 -","- C48 H49 Cl2 N2 -","- C192 H196 Cl8 N8 -","4","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0855","0.0641","","","0.1752","0.1939","","","","","","1.033","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554387","25.689","0.003","11.0511","0.0014","32.698","0.004","90","","105.996","0.003","90","","8923.3","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H55 I Mg N2 O -","- C51 H55 I Mg N2 O -","- C408 H440 I8 Mg8 N16 O8 -","8","1","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0857","0.0517","","","0.1234","0.1396","","","","","","1.015","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554388","11.9804","0.0006","15.2444","0.0007","15.0882","0.0007","90","","95.298","0.001","90","","2743.8","0.2","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 Cl2 Mg2 N4 -","- C58 H76 Cl2 Mg2 N4 -","- C116 H152 Cl4 Mg4 N8 -","2","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0573","0.0406","","","0.0939","0.1047","","","","","","1.033","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554389","13.2295","0.0008","13.2295","0.0008","19.2267","0.0013","90","","90","","90","","3365.1","0.4","140","2","140","2","","","","","","","","6","P -4","P -4","81","","","","- C68 H96 B2 Mg2 N4 O6 -","- C68 H96 B2 Mg2 N4 O6 -","- C136 H192 B4 Mg4 N8 O12 -","2","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1547","0.0647","","","0.1293","0.1641","","","","","","0.886","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554390","10.58","0.0007","10.4047","0.0007","10.785","0.0007","90","","118.687","0.002","90","","1041.5","0.12","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 B2 O6 -","- C18 H36 B2 O6 -","- C36 H72 B4 O12 -","2","0.5","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.0877","0.0677","","","0.1435","0.1529","","","","","","1.103","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554391","17.7085","0.0009","33.2898","0.0016","17.0054","0.0009","90","","90","","90","","10024.9","0.9","135","2","135","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H35 Mg N2 -","- C26 H35 Mg N2 -","- C416 H560 Mg16 N32 -","16","2","","Li, Jia; Luo, Man; Sheng, Xingchao; Hua, Haiming; Yao, Weiwei; Pullarkat, Sumod A.; Xu, Li; Ma, Mengtao","Unsymmetrical β-diketiminate magnesium(i) complexes: syntheses and application in catalytic hydroboration of alkyne, nitrile and carbonyl compounds","Organic Chemistry Frontiers","2018","5","24","3538","","10.1039/C8QO00720A","","","0.71073","MoKα","","0.1431","0.1024","","","0.1999","0.2137","","","","","","1.236","","","","has coordinates","237180","2020-10-21","18:00:00",""
"1554392","8.5511","0.0003","10.4286","0.0003","14.3935","0.0004","88.875","0.002","87.601","0.002","68.209","0.003","1190.78","0.07","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 Cl N2 O2 -","- C30 H21 Cl N2 O2 -","- C60 H42 Cl2 N4 O4 -","2","1","","Xu, Hui; Chen, Kuan; Liu, Hong-Wei; Wang, Guan-Wu","Solvent-free N-iodosuccinimide-promoted synthesis of spiroimidazolines from alkenes and amidines under ball-milling conditions","Organic Chemistry Frontiers","2018","5","19","2864","","10.1039/C8QO00723C","","","1.54184","CuKα","","0.0501","0.0464","","","0.127","0.1306","","","","","","1.04","","","","has coordinates","237183","2020-10-21","18:00:00",""
"1554393","8.1716","0.0004","30.1115","0.0013","10.9853","0.0005","90","","95.159","0.002","90","","2692.1","0.2","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl3 F6 N4 P Ru -","- C22 H24 Cl3 F6 N4 P Ru -","- C88 H96 Cl12 F24 N16 P4 Ru4 -","4","1","","Wu, Qiang; Pan, Le; Du, Guangming; Zhang, Chi; Wang, Dawei","Preparation of pyridyltriazole ruthenium complexes as effective catalysts for the selective alkylation and one-pot C‒H hydroxylation of 2-oxindole with alcohols and mechanism exploration","Organic Chemistry Frontiers","2018","5","18","2668","","10.1039/C8QO00725J","","","0.71075","MoKα","","0.049","0.0457","","","0.0973","0.0986","","","","","","1.266","","","","has coordinates,has disorder","237185","2020-10-21","18:00:00",""
"1554394","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Deng, Shuilin; Song, Qiuling","Halodifluoroacetates as formylation reagents for various amines via unprecedented quadruple cleavage","Organic Chemistry Frontiers","2018","5","24","3505","","10.1039/C8QO00727F","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","237187","2020-10-21","18:00:00",""
"1554395","6.32","0.002","11.047","0.004","16.999","0.006","90.548","0.009","95.825","0.009","90.542","0.009","1180.6","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","2","","Liu, Yang; Cerveri, Alessandro; De Nisi, Assunta; Monari, Magda; Nieto Faza, Olalla; Lopez, Carlos Silva; Bandini, Marco","Nickel catalyzed regio- and stereoselective arylation and methylation of allenamides via coupling reactions. An experimental and computational study","Organic Chemistry Frontiers","2018","5","22","3231","","10.1039/C8QO00729B","","","0.71073","MoKα","","0.1543","0.0971","","","0.2356","0.268","","","","","","1.137","","","","has coordinates","237189","2020-10-21","18:00:00",""
"1554396","6.9966","0.001","12.0579","0.0017","12.9998","0.0018","63.724","0.003","88.61","0.003","86.344","0.003","981.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 Ni O7 -","- C12 H26 Cl2 N2 Ni O7 -","- C24 H52 Cl4 N4 Ni2 O14 -","2","1","","Liu, Yang; Cerveri, Alessandro; De Nisi, Assunta; Monari, Magda; Nieto Faza, Olalla; Lopez, Carlos Silva; Bandini, Marco","Nickel catalyzed regio- and stereoselective arylation and methylation of allenamides via coupling reactions. An experimental and computational study","Organic Chemistry Frontiers","2018","5","22","3231","","10.1039/C8QO00729B","","","0.71073","MoKα","","0.0746","0.0594","","","0.1628","0.1738","","","","","","1.029","","","","has coordinates","237189","2020-10-21","18:00:00",""
"1554397","10.9821","0.0005","9.771","0.0003","21.137","0.0009","90","","119.629","0.003","90","","1971.56","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8,9,11,12-pentamethoxy-1,2,5,13b-tetrahydrodibenzo[c,e]pyrrolo[1,2-a]azepin-3-one","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor‒acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.5418","CuKα","","0.0595","0.0486","","","0.1264","0.1338","","","","","","1.004","","","","has coordinates","237191","2020-10-21","18:00:00",""
"1554398","7.0556","0.0003","15.3824","0.0005","10.7866","0.0005","90","","108.471","0.003","90","","1110.38","0.08","295","2","295","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(3,4,5-trimethoxybenzyl)-5-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C46 H58 N2 O14 -","2","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor‒acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.54186","CuKα","","0.0433","0.0421","","","0.1117","0.1128","","","","","","1.043","","","","has coordinates","237191","2020-10-21","18:00:00",""
"1554399","15.7969","0.0003","8.7827","0.0002","14.6012","0.0004","90","","103.801","0.002","90","","1967.28","0.08","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7,8,10,11,12-Pentamethoxy-1,2,5,13b-tetrahydrodibenzo[c,e]pyrrolo[1,2-a]azepin-3-one","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","","Boichenko, Maksim A.; Ivanova, Olga A.; Andreev, Ivan A.; Chagarovskiy, Alexey O.; Levina, Irina I.; Rybakov, Victor B.; Skvortsov, Dmitriy A.; Trushkov, Igor V.","Convenient approach to polyoxygenated dibenzo[c,e]pyrrolo[1,2-a]azepines from donor‒acceptor cyclopropanes","Organic Chemistry Frontiers","2018","5","19","2829","","10.1039/C8QO00742J","","","1.5418","CuKα","","0.0475","0.0414","","","0.1116","0.1156","","","","","","1.061","","","","has coordinates","237191","2020-10-21","18:00:00",""
"1554400","9.516","0.003","11.551","0.006","13.616","0.007","91.24","0.04","106.05","0.04","99.94","0.03","1412.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","5,6-dioxophenanthriporphyrin","","- C43 H26 N2 O2 -","- C43 H26 N2 O2 -","- C86 H52 N4 O4 -","2","1","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54184","CuKα","","0.3027","0.1221","","","0.2214","0.3452","","","","","","0.895","","","","has coordinates","237194","2020-10-21","18:00:00",""
"1554401","14.154","0.003","17.553","0.003","19.832","0.003","90","","106.78","0.03","90","","4717.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","monocation of 5,6-dioxophenanthriporphyrin","","- C61 H45 B F4 N2 O2 -","- C61 H45 B F4 N2 O2 -","- C244 H180 B4 F16 N8 O8 -","4","1","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54175","CuKα","","0.0708","0.0564","","","0.1492","0.16","","","","","","0.947","","","","has coordinates","237194","2020-10-21","18:00:00",""
"1554402","8.09","0.002","12.074","0.003","24.254","0.003","82.58","0.02","89.11","0.02","70.85","0.03","2218.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H54 B8 F22 N4 O7 -","- C86 H54 B8 F22 N4 O7 -","- C86 H54 B8 F22 N4 O7 -","1","0.5","","Kupietz, Kamil; Białek, Michał J.; Białońska, Agata; Szyszko, Bartosz; Latos-Grażyński, Lechosław","Aromaticity control via modifications of a macrocyclic frame: 5,6-dimethoxyphenanthriporphyrin and 5,6-dioxophenanthriporphyrin","Organic Chemistry Frontiers","2018","5","21","3068","","10.1039/C8QO00751A","","","1.54175","CuKα","","0.2001","0.081","","","0.1883","0.2196","","","","","","0.664","","","","has coordinates,has disorder","237194","2020-10-21","18:00:00",""
"1554404","12.2892","0.0006","11.6999","0.0005","19.3795","0.0009","90","","103.521","0.005","90","","2709.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","zwm-132","","- C29 H37 N O7 -","- C29 H37 N O7 -","- C116 H148 N4 O28 -","4","2","","Fan, Yaqin; Wang, Yi; Fu, Peng; Chairoungdua, Arthit; Piyachaturawat, Pawinee; Zhu, Weiming","Secopaxilline A, an indole-diterpenoid derivative from an aciduric Penicillium fungus, its identification and semisynthesis","Organic Chemistry Frontiers","2018","5","19","2835","","10.1039/C8QO00756J","","","1.54178","CuKα","","0.0676","0.0491","","","0.1065","0.1205","","","","","","1.033","","","","has coordinates","237198","2020-10-21","18:00:00",""
"1554405","9.5523","0.0004","9.8572","0.0003","23.9209","0.0009","90","","99.141","0.004","90","","2223.76","0.14","296.83","0.1","296.83","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Zhao, Yinsong; Zheng, Qinze; Yu, Chuangui; Liu, Zheng; Wang, Deping; You, Jingsong; Gao, Ge","Rh(iii)-Catalyzed regioselective C‒H [4 + 2] C-annulation of vinyl enaminones with alkynes to form polysubstituted salicylaldehydes","Organic Chemistry Frontiers","2018","5","19","2875","","10.1039/C8QO00759D","","x-ray","1.54184","CuKα","","0.0773","0.0673","","","0.2147","0.2311","","","","","","1.124","","","","has coordinates","237200","2020-10-21","18:00:00",""
"1554406","13.248","0.002","7.6262","0.0012","27.213","0.004","90","","97.298","0.003","90","","2727.1","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 Br N2 O3 -","- C30 H31 Br N2 O3 -","- C120 H124 Br4 N8 O12 -","4","2","","Yuan, Yang; Zheng, Zhan-Jiang; Ye, Fei; Ma, Jun-Han; Xu, Zheng; Bai, Xing-Feng; Li, Li; Xu, Li-Wen","Highly efficient desymmetrization of cyclopropenes to azabicyclo[3.1.0]hexanes with five continuous stereogenic centers by copper-catalyzed [3 + 2] cycloadditions","Organic Chemistry Frontiers","2018","5","18","2759","","10.1039/C8QO00761F","","","0.71073","MoKα","","0.1405","0.0694","","","0.179","0.2167","","","","","","1.026","","","","has coordinates","237202","2020-10-21","18:00:00",""
"1554407","7.3005","0.0004","12.1224","0.0005","11.9121","0.0006","90","","105.259","0.006","90","","1017.05","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C46 H56 O12 -","2","1","","Zhang, Xun; Li, Zhongle; Yong, Huaya; Xie, Zhixiang","Biomimetic syntheses of C23 terpenoids: structural revision of salyunnanin A and confirmation of hassanane","Organic Chemistry Frontiers","2018","5","23","3469","","10.1039/C8QO00772A","","","1.54184","CuKα","","0.0514","0.0506","","","0.1379","0.1395","","","","","","1.04","","","","has coordinates","237204","2020-10-21","18:00:00",""
"1554408","7.5983","0.0003","16.424","0.0007","20.8458","0.0008","90","","90","","90","","2601.44","0.18","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 5-(5-bromo-2-hydroxybenzoyl) nicotinate","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C112 H80 Br8 N8 O32 -","8","1","","Maezono, Shizuka Mei Bautista; Kim, Sung Hong; Lee, Yong Rok","Copper-catalyzed [3 + 2 + 1] annulation for functionalized pyridines as potent and dynamic UV absorbers","Organic Chemistry Frontiers","2018","5","23","3368","","10.1039/C8QO00782A","","","0.71073","MoKα","","0.0345","0.0252","","","0.0607","0.0658","","","","","","1.055","","","","has coordinates","237206","2020-10-21","18:00:00",""
"1554409","9.0575","0.0017","12.288","0.002","12.993","0.003","90","","94.793","0.002","90","","1441","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Yang, Binmiao; Zhai, Xuejie; Feng, Shubo; Shao, Zhihui","Dearomatization of naphthols using oxy-allyl cations: efficient construction of α-all-carbon quaternary center-containing 2-(2-oxocycloalkyl)cycloalkyl diketones","Organic Chemistry Frontiers","2018","5","19","2794","","10.1039/C8QO00783G","","","0.71073","MoKα","","0.0735","0.0518","","","0.1412","0.155","","","","","","1.095","","","","has coordinates","237208","2020-10-21","18:00:00",""
"1554410","17.135","0.003","17.343","0.003","20.802","0.003","106.696","0.004","98.131","0.004","118.106","0.003","4934.7","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 Cl N5 O8 -","- C44 H42 Cl N5 O8 -","- C176 H168 Cl4 N20 O32 -","4","2","","Yang, Wen-Juan; Sun, Qiu; Sun, Jing; Yan, Chao-Guo","Domino aza/oxa-hetero-Diels‒Alder reaction for construction of novel spiro[pyrido[3′,2′:5,6]pyrano[2,3-d]pyrimidine-7,5′-pyrimidine]","Organic Chemistry Frontiers","2018","5","18","2754","","10.1039/C8QO00784E","","","0.71073","MoKα","","0.1882","0.0908","","","0.2191","0.2653","","","","","","1.017","","","","has coordinates","237209","2020-10-21","18:00:00",""
"1554411","12.086","0.003","12.455","0.003","17.13","0.004","96.558","0.009","109.996","0.008","107.812","0.009","2236.9","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cl N5 O6 -","- C42 H38 Cl N5 O6 -","- C84 H76 Cl2 N10 O12 -","2","1","","Yang, Wen-Juan; Sun, Qiu; Sun, Jing; Yan, Chao-Guo","Domino aza/oxa-hetero-Diels‒Alder reaction for construction of novel spiro[pyrido[3′,2′:5,6]pyrano[2,3-d]pyrimidine-7,5′-pyrimidine]","Organic Chemistry Frontiers","2018","5","18","2754","","10.1039/C8QO00784E","","","0.71073","MoKα","","0.2438","0.1197","","","0.2511","0.3034","","","","","","1.01","","","","has coordinates","237209","2020-10-21","18:00:00",""
"1554412","9.7638","0.0005","10.0633","0.0005","10.6246","0.0005","100.341","0.004","103.17","0.004","95.285","0.004","990.28","0.09","122.98","0.13","122.98","0.13","","","","","","","","2","P -1","-P 1","2","tetraarylethene","tetraarylethene","","- C28 H22 -","- C28 H22 -","- C56 H44 -","2","1","","Chuskit, Deachen; Chaudhary, Renu; Venugopalan, Paloth; König, Burkhard; Natarajan, Palani","Oxidative homodimerization of substituted olefins by DDQ visible light photocatalysis","Organic Chemistry Frontiers","2018","5","24","3553","","10.1039/C8QO00792F","","x-ray","1.54184","CuKα","","0.0434","0.0358","","","0.0881","0.0934","","","","","","1.036","","","","has coordinates","237211","2020-10-21","18:00:00",""
"1554413","10","0.002","14.827","0.003","13.344","0.003","90","","101.939","0.003","90","","1935.7","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O7 S -","- C18 H25 N O7 S -","- C72 H100 N4 O28 S4 -","4","1","","Lei, Meng; Li, Yanjun; Cao, Shi; Hou, Xinyi; Gong, Lei","Alkylation‒peroxidation of α-carbonyl imines or ketones catalyzed by a copper salt via radical-mediated Csp3‒H functionalization","Organic Chemistry Frontiers","2018","5","21","3083","","10.1039/C8QO00797G","","","0.71073","MoKα","","0.0888","0.0813","","","0.2211","0.2292","","","","","","1.011","","","","has coordinates","237213","2020-10-21","18:00:00",""
"1554414","12.1127","0.001","13.1333","0.0012","13.1505","0.0011","76.939","0.007","79.228","0.007","63.194","0.009","1810.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","7-endo","","- C19 H24 F3 N O2 -","- C19 H24 F3 N O2 -","- C76 H96 F12 N4 O8 -","4","2","","Long, Hao; Song, Jinshuai; Xu, Hai-Chao","Electrochemical synthesis of 7-membered carbocycles through cascade 5-exo-trig/7-endo-trig radical cyclization","Organic Chemistry Frontiers","2018","5","21","3129","","10.1039/C8QO00803E","","x-ray","1.54184","CuKα","","0.0851","0.0762","","","0.2009","0.2149","","","","","","1.035","","","","has coordinates,has disorder","237214","2020-10-21","18:00:00",""
"1554415","8.6306","0.0004","10.9636","0.0006","14.5139","0.0007","90","","90.644","0.002","90","","1373.25","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O4 S -","- C30 H29 N3 O4 S -","- C60 H58 N6 O8 S2 -","2","1","","Huang, Qiuhong; Cheng, Yuyu; Yuan, Huijun; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective Mannich-type addition of 5H-thiazol-4-ones to isatin-derived imines: access to 3-substituted 3-amino-2-oxindoles featured by vicinal sulfur-containing tetrasubstituted stereocenters","Organic Chemistry Frontiers","2018","5","22","3226","","10.1039/C8QO00814K","","x-ray","0.71073","MoKα","","0.0375","0.0331","","","0.0767","0.0786","","","","","","1.049","","","","has coordinates","237217","2020-10-21","18:00:00",""
"1554416","18.2546","0.0006","9.1982","0.0003","13.3199","0.0004","90","","108.231","0.001","90","","2124.27","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.0736","0.0494","","","0.1184","0.1352","","","","","","1.038","","","","has coordinates","237219","2020-10-21","18:00:00",""
"1554417","11.2278","0.0005","13.7389","0.0006","7.4364","0.0003","90","","107.173","0.001","90","","1095.98","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.05","0.0387","","","0.0914","0.0998","","","","","","1.042","","","","has coordinates","237219","2020-10-21","18:00:00",""
"1554418","13.145","0.0005","14.0218","0.0006","12.9264","0.0005","90","","114.416","0.001","90","","2169.47","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N4 O5 -","- C24 H20 N4 O5 -","- C96 H80 N16 O20 -","4","1","","Qiu, Shaobing; Guo, Chunlei; Wang, Mingkang; Sun, Zhenglong; Li, Hui; Qian, Xuhong; Yang, Youjun","Mild dealkylative N-nitrosation of N,N-dialkylaniline derivatives for convenient preparation of photo-triggered and photo-calibrated NO donors","Organic Chemistry Frontiers","2018","5","22","3206","","10.1039/C8QO00818C","","","0.71073","MoKα","","0.0592","0.0411","","","0.0889","0.1004","","","","","","1.028","","","","has coordinates","237219","2020-10-21","18:00:00",""
"1554421","5.628","0.002","19.385","0.004","17.569","0.004","90","0.03","91.36","0.03","90","0.03","1916.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C96 H76 Cl4 N8 O4 -","4","1","","Tong, Mengchao; Zhang, Yong; Qin, Cong; Fu, Yiwei; Liu, Yonghai; Li, Hao; Wang, Wei","Alkenylazaarenes as dipolarophiles in 1,3-dipolar cycloaddition of nitrones: regioselectivity-switchable and highly diastereoselective synthesis of multisubstituted isoxazolidines","Organic Chemistry Frontiers","2018","5","20","2945","","10.1039/C8QO00826D","","","1.54178","CuKα","","0.0357","0.03","","","0.0779","0.0819","","","","","","1.015","","","","has coordinates","237223","2020-10-21","18:00:00",""
"1554422","5.7976","0.0009","9.4263","0.0014","17.097","0.003","87.715","0.003","87.737","0.003","86.465","0.003","931.2","0.3","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","","Tong, Mengchao; Zhang, Yong; Qin, Cong; Fu, Yiwei; Liu, Yonghai; Li, Hao; Wang, Wei","Alkenylazaarenes as dipolarophiles in 1,3-dipolar cycloaddition of nitrones: regioselectivity-switchable and highly diastereoselective synthesis of multisubstituted isoxazolidines","Organic Chemistry Frontiers","2018","5","20","2945","","10.1039/C8QO00826D","","","0.71073","MoKα","","0.1002","0.0533","","","0.107","0.1273","","","","","","1.005","","","","has coordinates","237223","2020-10-21","18:00:00",""
"1554423","6.229","0.0001","13.6065","0.0002","14.6177","0.0003","90","","90","","90","","1238.92","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H0.25 N O -","- C17 H11 N O -","- C68 H44 N4 O4 -","4","1","","Xu, Xin-Ming; Lei, Chuan-Hu; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Lewis acid catalyst-steered divergent synthesis of functionalized vicinal amino alcohols and pyrroles from tertiary enamides","Organic Chemistry Frontiers","2018","5","21","3138","","10.1039/C8QO00839F","","","1.54184","CuKα","","0.0369","0.0343","","","0.0834","0.0862","","","","","","1.11","","","","has coordinates","237224","2020-10-21","18:00:00",""
"1554424","13.42","0.002","5.3749","0.0008","17.821","0.003","90","","105.381","0.005","90","","1239.4","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H25 F N2 O5 S -","- C27 H25 F N2 O5 S -","- C54 H50 F2 N4 O10 S2 -","2","1","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C‒F⋯H‒N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.1349","0.0661","","","0.1551","0.1967","","","","","","1.024","","","","has coordinates","237226","2020-10-21","18:00:00",""
"1554425","6.6841","0.0006","8.7074","0.0008","14.4482","0.0013","87.391","0.003","81.591","0.002","78.532","0.003","815.14","0.13","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 Br F O2 -","- C18 H16 Br F O2 -","- C36 H32 Br2 F2 O4 -","2","2","","Cao, Zhong-Yan; Wang, Wenmin; Liao, Kui; Wang, Xiaoming; Zhou, Jian; Ma, Jing","Catalytic enantioselective synthesis of cyclopropanes featuring vicinal all-carbon quaternary stereocenters with a CH2F group; study of the influence of C‒F⋯H‒N interactions on reactivity","Organic Chemistry Frontiers","2018","5","20","2960","","10.1039/C8QO00842F","","","0.71073","MoKα","","0.0577","0.0518","","","0.1409","0.1463","","","","","","1.065","","","","has coordinates","237226","2020-10-21","18:00:00",""
"1554426","10.0137","0.0006","10.3706","0.0006","11.987","0.0007","90","","109.801","0.002","90","","1171.23","0.12","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","2","","Kim, Simon J.; Batey, Robert A.","Enantioselective isoquinuclidine synthesis via sequential Diels‒Alder/visible-light photoredox C‒C bond cleavage: a formal synthesis of the indole alkaloid catharanthine","Organic Chemistry Frontiers","2018","5","20","2934","","10.1039/C8QO00849C","","","1.54178","CuKα","","0.0278","0.0276","","","0.0695","0.0697","","","","","","1.09","","","","has coordinates","237227","2020-10-21","18:00:00",""
"1554427","7.6019","0.0006","7.7795","0.0007","17.7908","0.0015","94.036","0.005","92.577","0.005","114.867","0.004","948.98","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Organic Compound","","","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","- C42 H50 O2 Si2 -","1","0.5","","Ozdemir, Resul; Park, Sangyun; Deneme, İbrahim; Park, Yonghan; Zorlu, Yunus; Alidagi, Husniye Ardic; Harmandar, Kevser; Kim, Choongik; Usta, Hakan","Triisopropylsilylethynyl-substituted indenofluorenes: carbonyl versus dicyanovinylene functionalization in one-dimensional molecular crystals and solution-processed n-channel OFETs","Organic Chemistry Frontiers","2018","5","20","2912","","10.1039/C8QO00856F","","","0.71073","MoKα","","0.0982","0.086","","","0.2596","0.2746","","","","","","1.078","","","","has coordinates","237229","2020-10-21","18:00:00",""
"1554428","39.755","0.005","10.0294","0.0012","11.4351","0.0014","90","","102.874","0.008","90","","4444.8","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Organic Compound","","","- C48 H50 N4 Si2 -","- C48 H50 N4 Si2 -","- C192 H200 N16 Si8 -","4","0.5","","Ozdemir, Resul; Park, Sangyun; Deneme, İbrahim; Park, Yonghan; Zorlu, Yunus; Alidagi, Husniye Ardic; Harmandar, Kevser; Kim, Choongik; Usta, Hakan","Triisopropylsilylethynyl-substituted indenofluorenes: carbonyl versus dicyanovinylene functionalization in one-dimensional molecular crystals and solution-processed n-channel OFETs","Organic Chemistry Frontiers","2018","5","20","2912","","10.1039/C8QO00856F","","","0.71073","MoKα","","0.202","0.1097","","","0.3031","0.373","","","","","","1.016","","","","has coordinates","237229","2020-10-21","18:00:00",""
"1554429","17.45405","0.00014","8.11896","0.00007","19.929","0.00015","90","","91.5647","0.0007","90","","2823.06","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N O6 -","- C33 H35 N O6 -","- C132 H140 N4 O24 -","4","1","","Yi, Xiao; Tang, Hongxia; Chen, Jing; Xu, Xiuling; Ma, Yongmin","Facile one-pot synthesis of a 3-azabicyclo[3.3.1]nonane scaffold by a tandem Mannich reaction","Organic Chemistry Frontiers","2018","5","20","3003","","10.1039/C8QO00870A","","","1.54184","CuKα","","0.042","0.0402","","0.1087","0.1047","0.101","","","","","","1.021","","","","has coordinates","237230","2020-10-21","18:00:00",""
"1554430","11.083","0.007","21.629","0.013","12.241","0.007","90","","116.92","","90","","2616","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl3 N O3 -","- C30 H26 Cl3 N O3 -","- C120 H104 Cl12 N4 O12 -","4","1","","Yi, Xiao; Tang, Hongxia; Chen, Jing; Xu, Xiuling; Ma, Yongmin","Facile one-pot synthesis of a 3-azabicyclo[3.3.1]nonane scaffold by a tandem Mannich reaction","Organic Chemistry Frontiers","2018","5","20","3003","","10.1039/C8QO00870A","","","0.71073","MoKα","","0.1545","0.0998","","","0.2507","0.2824","","","","","","0.952","","","","has coordinates","237230","2020-10-21","18:00:00",""
"1554431","8.7333","0.001","32.515","0.005","11.3552","0.0017","90","","92.555","0.004","90","","3221.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(1-(2-cyclopropyl-3-tosylprop-1-en-1-yl)-2-(4-methoxyphenyl)-2-methylcyclopropyl)diphenylphosphine oxide","","- C36 H37 O4 P S -","- C36 H37 O4 P S -","- C144 H148 O16 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N‒S bond: tosyl radical-initiated cascade C(sp3)‒OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.1292","0.0566","","","0.1176","0.1417","","","","","","1.015","","","","has coordinates,has disorder","237232","2020-10-21","18:00:00",""
"1554432","10.244","0.0003","13.1272","0.0005","15.4443","0.0005","85.216","0.001","77.319","0.001","69.981","0.001","1903.71","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-(1-(2-([1,1'-biphenyl]-4-yl)-3-tosylprop-1-en-1-yl)-2-(4-methoxyphenyl)-2-methylcyclopropyl)diphenylphosphine oxide","","- C45 H41 O4 P S -","- C45 H41 O4 P S -","- C90 H82 O8 P2 S2 -","2","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N‒S bond: tosyl radical-initiated cascade C(sp3)‒OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0945","0.0539","","","0.1232","0.1402","","","","","","1.024","","","","has coordinates","237232","2020-10-21","18:00:00",""
"1554433","10.9576","0.0005","24.0001","0.0011","13.0509","0.0006","90","","94.036","0.002","90","","3423.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(2,2-dibenzyl-1-(2-methyl-3-tosylprop-1-en-1-yl)cyclopropyl)diphenylphosphine oxide","","- C40 H39 O3 P S -","- C40 H39 O3 P S -","- C160 H156 O12 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N‒S bond: tosyl radical-initiated cascade C(sp3)‒OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0969","0.0501","","","0.1136","0.1315","","","","","","1.018","","","","has coordinates","237232","2020-10-21","18:00:00",""
"1554434","12.3705","0.0006","13.8788","0.0008","19.1238","0.001","90","","106.702","0.001","90","","3144.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-(2-methyl-1-(2-methyl-3-tosylprop-1-en-1-yl)-2-(naphthalen-2-yl)cyclopropyl)diphenylphosphine oxide","","- C37 H35 O3 P S -","- C37 H35 O3 P S -","- C148 H140 O12 P4 S4 -","4","1","","Chen, Yao-Zhong; Liu, Teng; Zhu, Jie; Zhang, Hui; Wu, Lei","Transition-metal-free radical cleavage of a hydrazonyl N‒S bond: tosyl radical-initiated cascade C(sp3)‒OAr cleavage, sulfonyl rearrangement and atropisomeric cyclopropanation","Organic Chemistry Frontiers","2018","5","24","3567","","10.1039/C8QO00873F","","","0.71073","MoKα","","0.0729","0.0464","","","0.1122","0.1237","","","","","","1.021","","","","has coordinates","237232","2020-10-21","18:00:00",""
"1554435","22.09","0.006","8.574","0.002","9.447","0.003","90","","101.6","0.02","90","","1752.7","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C88 H96 N8 -","4","1","","Liu, Siyuan; Zhang, Wenzhu; Qu, Jingping; Wang, Baomin","Engaging 2-methyl indolenines in a tandem condensation/1,5-hydride transfer/cyclization process: construction of a novel indolenine‒tetrahydroquinoline assembly","Organic Chemistry Frontiers","2018","5","20","3008","","10.1039/C8QO00875B","","","0.71073","MoKα","","0.0935","0.0493","","","0.1018","0.119","","","","","","1.025","","","","has coordinates","237234","2020-10-21","18:00:00",""
"1554436","8.8385","0.0005","14.3341","0.0009","17.8495","0.0011","90","","90","","90","","2261.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N O7 P S -","- C21 H21 Br N O7 P S -","- C84 H84 Br4 N4 O28 P4 S4 -","4","1","","Sun, Jun; Mou, Chengli; Liu, Changyi; Huang, Ruoyan; Zhang, Shupeng; Zheng, Pengcheng; Chi, Yonggui Robin","Enantioselective access to multi-cyclic α-amino phosphonates via carbene-catalyzed cycloaddition reactions between enals and six-membered cyclic imines","Organic Chemistry Frontiers","2018","5","20","2992","","10.1039/C8QO00877A","","","0.71073","MoKα","","0.0765","0.0451","","","0.0859","0.0981","","","","","","0.948","","","","has coordinates","237236","2020-10-21","18:00:00",""
"1554441","9.0319","0.0004","18.9034","0.0009","14.4632","0.0007","90","","96.64","0.002","90","","2452.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Co P S -","- C28 H29 Co P S -","- C112 H116 Co4 P4 S4 -","4","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","","0.71","MoKα","","0.0352","0.0285","","","0.0704","0.074","","","","","","1.042","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554442","12.766","0.0003","7.3952","0.0002","18.2702","0.0004","90","","103.067","0.002","90","","1680.17","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N O2 -","- C22 H18 N O2 -","- C88 H72 N4 O8 -","4","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","x-ray","1.54184","CuKα","","0.0807","0.0707","","","0.1844","0.1974","","","","","","1.187","","","","has coordinates,has disorder","237239","2020-10-21","18:00:00",""
"1554443","7.3192","0.0006","11.4476","0.0007","14.2878","0.0011","109.541","0.006","103.435","0.007","90.85","0.006","1091.7","0.15","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O2 -","- C30 H23 N O2 -","- C60 H46 N2 O4 -","2","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","x-ray","1.54184","CuKα","","0.0655","0.0504","","","0.1343","0.1468","","","","","","1.065","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554444","7.4718","0.0009","10.17","0.0013","13.6849","0.0015","80.313","0.01","76.092","0.01","74.405","0.011","966.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","","0.71073","MoKα","","0.0706","0.0523","","","0.1325","0.1454","","","","","","1.079","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554445","16.6717","0.0015","10.051","0.002","14.516","0.006","90","","90","","90","","2432.4","1.1","172.99","0.1","172.99","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H29 Br Co P S -","- C28 H29 Br Co P S -","- C112 H116 Br4 Co4 P4 S4 -","4","1","","Liu, Xiangyu; Wu, Chengjuan; Zhang, Jing; Shi, Yihan; Zhang, Shengnan; Geng, Yan; Tung, Chen-Ho; Wang, Wenguang","Cobalt-catalyzed radical cyclization of isocyanides forming phenanthridine derivatives","Organic Chemistry Frontiers","2018","5","20","2997","","10.1039/C8QO00887F","","x-ray","0.71073","MoKα","","0.0588","0.048","","","0.0977","0.1016","","","","","","1.044","","","","has coordinates","237239","2020-10-21","18:00:00",""
"1554448","26.357","0.0008","7.5712","0.0003","24.9141","0.0008","90","","92.458","0.003","90","","4967.1","0.3","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C28 H33 Br O3 -","- C28 H33 Br O3 -","- C224 H264 Br8 O24 -","8","2","","Liu, Lin; Song, Huayue; Chen, Peng; Yuan, Ziyun; Feng, Shangbiao; Zhang, Weiwei; Fang, Bowen; Xie, Xingang; She, Xuegong","Total synthesis of (−)-8-epi-chromazonarol enabled by a unique N2H4·H2O promoted intramolecular oxa-Michael cyclization reaction","Organic Chemistry Frontiers","2018","5","20","3013","","10.1039/C8QO00901E","","","1.54184","CuKα","","0.0497","0.0468","","","0.1352","0.1402","","","","","","0.974","","","","has coordinates","237244","2020-10-21","18:00:00",""
"1554451","12.1152","0.0014","14.1577","0.0018","24.768","0.003","90","","93.519","0.002","90","","4240.3","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C208 H184 N8 O16 S8 -","8","2","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0513","0.0373","","","0.0883","0.0965","","","","","","1.031","","","","has coordinates","237247","2020-10-21","18:00:00",""
"1554452","10.875","0.012","11.83","0.014","16.54","0.02","90","","98.8","0.02","90","","2103","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0859","0.043","","","0.1015","0.1208","","","","","","1.009","","","","has coordinates","237247","2020-10-21","18:00:00",""
"1554453","20.5631","0.0007","27.2351","0.0011","9.3277","0.0003","90","","92.088","0.001","90","","5220.4","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C208 H184 N8 O32 S8 -","8","1","","Zhang, Jia-hao; Wei, Yin; Shi, Min","Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes","Organic Chemistry Frontiers","2018","5","20","2980","","10.1039/C8QO00907D","","","0.71073","MoKα","","0.0932","0.0673","","","0.2068","0.2299","","","","","","1.033","","","","has coordinates","237247","2020-10-21","18:00:00",""
"1554454","15.787","0.009","10.811","0.006","13.977","0.008","90","","112.816","0.007","90","","2199","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-phenylenedioxa-5-phenyl-3,3,7,7-tetrakis(trifluoromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C20 H11 F12 O5 P -","- C20 H11 F12 O5 P -","- C80 H44 F48 O20 P4 -","4","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0611","0.0444","","","0.1116","0.1226","","","","","","1.028","","","","has coordinates,has disorder","237249","2020-10-21","18:00:00",""
"1554455","7.266","0.003","11.409","0.005","8.573","0.004","90","","96.695","0.006","90","","705.8","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","triethylammonium oxabenzo-1,3,2-dioxaphosphol-2-oate","","- C12 H20 N O4 P -","- C12 H20 N O4 P -","- C24 H40 N2 O8 P2 -","2","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0589","0.0429","","","0.0846","0.0915","","","","","","1.038","","","","has coordinates,has disorder","237249","2020-10-21","18:00:00",""
"1554456","4.6005","0.0004","10.122","0.0008","16.4334","0.0014","90","","90","","90","","765.24","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyphenyl phosphoric acid","","- C6 H7 O5 P -","- C6 H7 O5 P -","- C24 H28 O20 P4 -","4","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0831","0.0859","","","","","","1.045","","","","has coordinates","237249","2020-10-21","18:00:00",""
"1554457","10.7892","0.0006","11.1562","0.0006","11.7122","0.0006","101.788","0.003","99.647","0.003","106.558","0.003","1283.93","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,1- phenylenedioxa-5-phenyl-3,7-bis(ethoxycarbonyl)-3,7-bis(trifluoromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C24 H21 F6 O9 P -","- C24 H21 F6 O9 P -","- C48 H42 F12 O18 P2 -","2","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.0813","0.0442","","","0.1057","0.1222","","","","","","1.027","","","","has coordinates,has disorder","237249","2020-10-21","18:00:00",""
"1554458","27.972","0.006","27.972","0.006","11.844","0.003","90","","90","","90","","9267","4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","1,1-phenylenedioxa-5-phenyl-3,7-bis(trichloromethyl)-1-phospha-2,6,8-trioxabicyclo[4.3.2(1,5)]octane","","- C18 H13 Cl6 O5 P -","- C18 H13 Cl6 O5 P -","- C288 H208 Cl96 O80 P16 -","16","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.05","0.0399","","","0.0929","0.099","","","","","","1.048","","","","has coordinates","237249","2020-10-21","18:00:00",""
"1554459","8.8009","0.0008","12.3786","0.0018","16.3465","0.0019","102.889","0.012","95.068","0.009","108.26","0.011","1624.3","0.4","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N O2 S -","- C40 H40 N O2 S -","- C80 H80 N2 O4 S2 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.1733","0.1048","","","0.2799","0.3361","","","","","","1.039","","","","has coordinates","237251","2020-10-21","18:00:00",""
"1554460","7.1299","0.0011","14.678","0.0013","17.037","0.002","74.911","0.009","81.895","0.013","89.178","0.01","1703.8","0.4","102","4","102","4","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N O2 S -","- C44 H42 N O2 S -","- C88 H84 N2 O4 S2 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.2244","0.0946","","","0.2156","0.2882","","","","","","0.948","","","","has coordinates","237251","2020-10-21","18:00:00",""
"1554461","13.5245","0.0006","24.687","0.003","20.6534","0.0009","90","","102.064","0.004","90","","6743.4","0.9","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N2 O4 S4 -","- C84 H80 N2 O4 S4 -","- C336 H320 N8 O16 S16 -","4","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.21","0.1447","","","0.3854","0.4192","","","","","","1.061","","","","has coordinates","237251","2020-10-21","18:00:00",""
"1554462","14.3142","0.001","16.7266","0.0012","18.5616","0.0011","105.723","0.006","109.469","0.006","90.336","0.006","4010.6","0.5","99.98","0.17","99.98","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C92 H81 N2 O4 S4 -","- C92 H81 N2 O4 S4 -","- C184 H162 N4 O8 S8 -","2","1","","Wu, Minming; Zhou, Jiadong; Luo, Yinqi; Zheng, Nan; Wang, Cong; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Construction of J-type aggregates as multi-functional interlayers for nonfullerene polymer solar cells","Organic Chemistry Frontiers","2018","5","22","3324","","10.1039/C8QO00934A","","x-ray","1.54184","CuKα","","0.2041","0.1084","","","0.318","0.3849","","","","","","1.051","","","","has coordinates","237251","2020-10-21","18:00:00",""
"1554467","9.7218","0.0008","7.7915","0.0006","24.097","0.002","90","","99.734","0.008","90","","1799","0.3","155.9","","155.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O6 S -","- C19 H16 N2 O6 S -","- C76 H64 N8 O24 S4 -","4","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels‒Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0666","0.0484","","","0.1183","0.1359","","","","","","1.041","","","","has coordinates","237256","2020-10-21","18:00:00",""
"1554468","6.4452","0.0007","11.7323","0.0011","12.5163","0.0012","105.865","0.008","90.612","0.008","93.872","0.008","907.9","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels‒Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0762","0.0508","","","0.1158","0.1339","","","","","","1.031","","","","has coordinates","237256","2020-10-21","18:00:00",""
"1554469","10.2302","0.0008","24.9417","0.0018","10.532","0.0007","90","","94.66","0.006","90","","2678.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 Cl N O2 S -","- C33 H26 Cl N O2 S -","- C132 H104 Cl4 N4 O8 S4 -","4","1","","Shen, Yangyong; Wang, Chaorong; Chen, Wei; Cui, Sunliang","Cascade reaction involving Diels‒Alder cascade: modular synthesis of amino α-pyrones, indolines and anilines","Organic Chemistry Frontiers","2018","5","24","3574","","10.1039/C8QO00939B","","","0.71073","MoKα","","0.0692","0.0439","","","0.0958","0.1088","","","","","","1.041","","","","has coordinates","237256","2020-10-21","18:00:00",""
"1554470","9.9349","0.0009","5.4755","0.0005","25.351","0.003","90","","101.162","0.01","90","","1353","0.2","292.9","0.8","292.9","0.8","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C26 H30 N4 O9 -","- C26 H30 N4 O9 -","- C52 H60 N8 O18 -","2","0.5","","Chen, Jinhong; Li, Junfang; Zhu, Longqing; Peng, Xue; Feng, Yiyue; Lu, Yingmei; Hu, Xiaoling; Liang, Jianpin; Zhao, Quanyi; Wang, Zhen","Total synthesis and structure revision of chrysamide B","Organic Chemistry Frontiers","2018","5","23","3402","","10.1039/C8QO00949J","","x-ray","0.71073","MoKα","","0.0558","0.0439","","","0.0971","0.1064","","","","","","1.052","","","","has coordinates","237258","2020-10-21","18:00:00",""
"1554471","11.6963","0.0014","8.9597","0.0008","23.096","0.002","90","","90.67","0.001","90","","2420.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Xiong, Yan-Jie; Shi, Shao-Qing; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","A new dehydrogenative [4 + 1] annulation between para-quinone methides (p-QMs) and iodonium ylides for the synthesis of 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","23","3483","","10.1039/C8QO00950C","","","1.54178","CuKα","","0.119","0.0723","","","0.1786","0.2119","","","","","","1.081","","","","has coordinates","237259","2020-10-21","18:00:00",""
"1554472","10.805","0.0008","11.7571","0.0009","12.8689","0.0011","106.048","0.002","95.01","0.001","114.103","0.003","1396.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl I N2 O5 -","- C27 H28 Cl I N2 O5 -","- C54 H56 Cl2 I2 N4 O10 -","2","1","","Xiong, Yan-Jie; Shi, Shao-Qing; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","A new dehydrogenative [4 + 1] annulation between para-quinone methides (p-QMs) and iodonium ylides for the synthesis of 2,3-dihydrobenzofurans","Organic Chemistry Frontiers","2018","5","23","3483","","10.1039/C8QO00950C","","","0.71073","MoKα","","0.0829","0.0495","","","0.1228","0.1373","","","","","","1.039","","","","has coordinates","237259","2020-10-21","18:00:00",""
"1554473","8.4088","0.0005","17.398","0.0011","12.1982","0.0008","90","","101.318","0.001","90","","1749.85","0.19","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(3-methyl-1-phenyl-1H-pyrazol-2-ium-4-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C14 H12 F6 N2 O4 S2 -","- C14 H12 F6 N2 O4 S2 -","- C56 H48 F24 N8 O16 S8 -","4","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0469","0.0381","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554474","12.6441","0.0009","11.3643","0.0008","16.2034","0.0011","90","","111.751","0.001","90","","2162.5","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2,2-bis((trifluoromethyl)sulfonyl)ethyl)-1-(phenylethynyl)-1,5,6,7-tetrahydro-4H-indol-4-one","","- C20 H15 F6 N O5 S2 -","- C20 H15 F6 N O5 S2 -","- C80 H60 F24 N4 O20 S8 -","4","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0363","0.0308","","","0.0755","0.0789","","","","","","1.025","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554475","13.0371","0.0009","14.5605","0.001","14.0643","0.001","90","","113.617","0.001","90","","2446.2","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2,4-diphenyloxazol-3-ium-5-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C21 H19 F6 N O6 S3 -","- C21 H19 F6 N O6 S3 -","- C84 H76 F24 N4 O24 S12 -","4","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0493","0.041","","","0.0957","0.1007","","","","","","1.042","","","","has coordinates,has disorder","237261","2020-10-21","18:00:00",""
"1554476","31.442","0.002","7.7594","0.0005","16.3435","0.0011","90","","91.74","0.001","90","","3985.5","0.4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-(1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-2-ium-4-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C14 H11 Cl F6 N2 O5 S2 -","- C14 H11 Cl F6 N2 O5 S2 -","- C112 H88 Cl8 F48 N16 O40 S16 -","8","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0329","0.029","","","0.0722","0.0748","","","","","","1.03","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554477","5.7308","0.0005","13.6484","0.0013","21.184","0.002","90","","95.748","0.001","90","","1648.6","0.3","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(2,2-Bis((trifluoromethyl)sulfonyl)ethyl)-4-hydroxy-2H-chromen-2-one","","- C13 H8 F6 O7 S2 -","- C13 H8 F6 O7 S2 -","- C52 H32 F24 O28 S8 -","4","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0334","0.0292","","","0.071","0.0735","","","","","","1.023","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554478","14.266","0.002","6.0883","0.0009","18.922","0.003","90","","94.123","0.002","90","","1639.2","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(1-phenyl-1H-pyrazol-2-ium-2-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C13 H10 F6 N2 O4 S2 -","- C13 H10 F6 N2 O4 S2 -","- C52 H40 F24 N8 O16 S8 -","4","1","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0461","0.0361","","","0.0846","0.0903","","","","","","1.029","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554479","17.2641","0.001","14.8304","0.0008","23.9088","0.0014","90","","90","","90","","6121.5","0.6","90","","90","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-(5-hydroxy-1,3-dimethyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H10 F6 N2 O5 S2 -","- C9 H10 F6 N2 O5 S2 -","- C144 H160 F96 N32 O80 S32 -","16","2","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0451","0.0373","","","0.0889","0.0929","","","","","","1.064","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554480","27.2048","0.0018","18.3507","0.0012","12.2694","0.0008","90","","90","","90","","6125.2","0.7","90","","90","","","","","","","","","6","P n a 21","P 2c -2n","33","","2-(5-hydroxy-2,3-dimethyl-1-phenyl-1H-pyrazol-2-ium-4-yl)- 1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C15 H14 F6 N2 O5 S2 -","- C15 H14 F6 N2 O5 S2 -","- C180 H168 F72 N24 O60 S24 -","12","3","","Almendros, Pedro; Yanai, Hikaru; Hoshikawa, Shoki; Aragoncillo, Cristina; Lázaro-Milla, Carlos; Toledano-Pinedo, Mireia; Matsumoto, Takashi; Alcaide, Benito","Transition metal-free controlled synthesis of bis[(trifluoromethyl)sulfonyl]ethyl-decorated heterocycles","Organic Chemistry Frontiers","2018","5","21","3163","","10.1039/C8QO00955D","","","0.71073","MoKα","","0.0291","0.0264","","","0.0653","0.0671","","","","","","1.008","","","","has coordinates","237261","2020-10-21","18:00:00",""
"1554481","17.607","0.0012","5.4871","0.0004","25.7682","0.0017","90","","106.169","0.0015","90","","2391","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O S2 -","- C29 H28 N2 O S2 -","- C116 H112 N8 O4 S8 -","4","1","","Weldeab, Asmerom O.; Li, Lei; Cekli, Seda; Abboud, Khalil A.; Schanze, Kirk S.; Castellano, Ronald K.","Pyridine-terminated low gap π-conjugated oligomers: design, synthesis, and photophysical response to protonation and metalation","Organic Chemistry Frontiers","2018","5","21","3170","","10.1039/C8QO00963E","","","0.71073","MoKα","","0.0677","0.0456","","","0.1154","0.1232","","","","","","1.008","","","","has coordinates,has disorder","237264","2020-10-21","18:00:00",""
"1554482","11.2685","0.0006","18.6581","0.0007","12.8795","0.0008","90","","111.426","0.007","90","","2520.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Br N O9 -","- C26 H22 Br N O9 -","- C104 H88 Br4 N4 O36 -","4","1","","Agafonova, Anastasiya V.; Smetanin, Ilia A.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Expedient synthesis of 3-hydroxypyrroles via Bu3SnH-triggered ionic 5-exo-trig-cyclization of 5-chloro-3-azamuconoate derivatives","Organic Chemistry Frontiers","2018","5","23","3396","","10.1039/C8QO00982A","","","0.71073","MoKα","","0.0592","0.0388","","","0.0764","0.0845","","","","","","1.03","","","","has coordinates","237266","2020-10-21","18:00:00",""
"1554483","15.569","0.002","29.973","0.004","7.0564","0.001","90","","90","","90","","3292.9","0.8","293","2","293","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C16 H9 Cl F3 N O3 S -","- C16 H9 Cl F3 N O3 S -","- C128 H72 Cl8 F24 N8 O24 S8 -","8","1","","Yi, Ruxia; Li, Xincheng; Wan, Boshun","Ring-opening and cyclization of aziridines with aryl azides: metal-free synthesis of 6-(triflyloxy)quinolines","Organic Chemistry Frontiers","2018","5","23","3488","","10.1039/C8QO00984H","","","0.71073","MoKα","","0.0547","0.0494","","","0.118","0.1234","","","","","","1.115","","","","has coordinates","237268","2020-10-21","18:00:00",""
"1554484","4.9693","0.0003","5.8579","0.0003","31.3863","0.0017","90","","90","","90","","913.64","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Han, Sang Hoon; Pandey, Ashok Kumar; Lee, Heeyoung; Kim, Saegun; Kang, Dahye; Jung, Young Hoon; Kim, Hyung Sik; Hong, Sungwoo; Kim, In Su","One-pot synthesis of 2-naphthols from nitrones and MBH adducts via decarboxylative N‒O bond cleavage","Organic Chemistry Frontiers","2018","5","22","3210","","10.1039/C8QO00988K","","","0.71073","MoKα","","0.069","0.0506","","","0.0992","0.106","","","","","","1.064","","","","has coordinates","237270","2020-10-21","18:00:00",""
"1554486","5.7918","0.0006","13.738","0.0014","13.4519","0.0013","90","","101.436","0.004","90","","1049.09","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N3 O -","- C14 H8 N3 O -","- C56 H32 N12 O4 -","4","1","","Li, Ping-Gui; Yan, Cheng; Zhu, Shuai; Liu, Shu-Hui; Zou, Liang-Hua","Direct construction of benzimidazo[l,2-c]quinazolin-6-ones via metal-free oxidative C‒C bond cleavage","Organic Chemistry Frontiers","2018","5","23","3464","","10.1039/C8QO01039K","","","0.71073","MoKα","","0.0831","0.0547","","","0.1246","0.1389","","","","","","1.042","","","","has coordinates","237273","2020-10-21","18:00:00",""
"1554487","13.6363","0.0006","8.5322","0.0003","15.2209","0.0008","90","","116.205","0.001","90","","1588.9","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H31 N3 O4 S -","- C37 H31 N3 O4 S -","- C74 H62 N6 O8 S2 -","2","1","","Gu, Bo-Qi; Yang, Wu-Lin; Wu, Shu-Xiao; Wang, Yan-Bing; Deng, Wei-Ping","Organocatalytic asymmetric synthesis of tetrahydrocarbazoles via an inverse-electron-demand Diels‒Alder reaction of 2,3-indole-dienes with enals","Organic Chemistry Frontiers","2018","5","23","3430","","10.1039/C8QO01042K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0783","0.0857","","","","","","1.063","","","","has coordinates","237275","2020-10-21","18:00:00",""
"1554488","9.5039","0.0007","10.0075","0.0008","10.6869","0.0008","64.045","0.002","69.351","0.002","83.294","0.002","854.35","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N O5 P -","- C17 H18 N O5 P -","- C34 H36 N2 O10 P2 -","2","1","","Wang, Jie; Li, Jun; Wei, Yuanyuan; Yang, Jingya; Huo, Congde","Copper-catalyzed oxidative phosphonation of 3,4-dihydro-1,4-benzoxazin-2-ones","Organic Chemistry Frontiers","2018","5","24","3534","","10.1039/C8QO01049H","","","1.54178","CuKα","","0.0828","0.082","","","0.1885","0.1899","","","","","","1.081","","","","has coordinates","237276","2020-10-21","18:00:00",""
"1554588","11.9355","0.0004","12.1743","0.0004","15.3187","0.0004","112.686","0.003","97.711","0.002","98.63","0.003","1984.93","0.12","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H59 Cl N2 P2 Zr -","- C40 H59 Cl N2 P2 Zr -","- C80 H118 Cl2 N4 P4 Zr2 -","2","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0572","0.036","","","0.0653","0.0684","","","","","","0.924","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554589","12.10234","0.00018","13.69809","0.00019","31.6606","0.0004","90","","91.0656","0.0014","90","","5247.75","0.13","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H78 Cl N3 P2 Zr -","- C52 H78 Cl N3 P2 Zr -","- C208 H312 Cl4 N12 P8 Zr4 -","4","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","1.54184","CuKα","","0.0645","0.0505","","","0.1104","0.1153","","","","","","1.165","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554590","37.6269","0.0007","12.5284","0.0003","22.9308","0.0004","90","","99.4621","0.0019","90","","10662.6","0.4","120","1","120","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H82 Cl N5 O P2 Zr -","- C52 H82 Cl N5 O P2 Zr -","- C416 H656 Cl8 N40 O8 P16 Zr8 -","8","1","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.094","0.0539","","","0.0987","0.1124","","","","","","1.04","","","","has coordinates","237393","2020-10-21","18:00:00",""
"1554591","12.6621","0.0002","18.1002","0.0003","23.9357","0.0003","100.866","0.0012","95.4948","0.0013","103.491","0.0014","5182.35","0.14","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H80 Cl N3 P2 Zr -","- C52 H68 Cl N3 P2 Zr -","- C208 H272 Cl4 N12 P8 Zr4 -","4","2","","Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends.","Chemical science","2018","9","23","5223","5232","10.1039/c8sc01025k","","x-ray","0.71073","MoKα","","0.0787","0.0497","","","0.1091","0.1213","","","","","","1.037","","","","has coordinates,has disorder","237393","2020-10-21","18:00:00",""
"1554610","13.8699","0.0006","17.1455","0.0007","14.2982","0.0008","90","","100.97","0.002","90","","3338.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 F12 N6 Ni P2 -","- C26 H28 F12 N6 Ni P2 -","- C104 H112 F48 N24 Ni4 P8 -","4","1","","Lieske, Lauren E.; Rheingold, Arnold L.; Machan, Charles W.","Electrochemical reduction of carbon dioxide with a molecular polypyridyl nickel complex","Sustainable Energy & Fuels","2018","2","6","1269","","10.1039/C8SE00027A","","x-ray","0.71073","MoKα","","0.0902","0.0471","","","0.0906","0.1046","","","","","","1.011","","","","has coordinates","237418","2020-10-21","18:00:00",""
"1556560","13.987","0.0007","15.1052","0.0009","14.8741","0.0007","90","","107.659","0.0013","90","","2994.5","0.3","163","","163","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C44 H44 B4 Cl6 Dy2 N24 O4 -","- C88 H88 B8 Cl12 Dy4 N48 O8 -","2","0.5","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0477","0.0388","","","0.0797","0.086","","","","","","1.048","","","","has coordinates","245056","2020-10-21","18:00:00",""
"1556561","13.9697","0.0007","15.0061","0.0007","14.9113","0.0006","90","","107.843","0.0013","90","","2975.5","0.2","108","","108","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C44 H44 B4 Cl6 Gd2 N24 O4 -","- C88 H88 B8 Cl12 Gd4 N48 O8 -","2","0.5","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0448","0.0331","","","0.0631","0.0671","","","","","","1.085","","","","has coordinates","245057","2020-10-21","18:00:00",""
"1556562","9.5145","0.0003","19.2573","0.0007","20.4459","0.0007","90","","100.727","0.001","90","","3680.7","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B2 Cl2 Co Dy N12 O4 -","- C34 H30 B2 Cl2 Co Dy N12 O4 -","- C136 H120 B8 Cl8 Co4 Dy4 N48 O16 -","4","1","","Ishikawa, R.; Michiwaki, S.; Noda, T.; Katoh, K.; Yamashita, M.; Matsubara, K.; Kawata, S.","Field-Induced Slow Magnetic Relaxation of Mono- and Dinuclear Dysprosium(III) Complexes Coordinated by a Chloranilate with Different Resonance Forms","Inorganics","2018","6","","7","","10.3390/inorganics6010007","","","0.71075","MoKα","","0.0345","0.0259","","","0.0535","0.056","","","","","","1.041","","","","has coordinates","245058","2020-10-21","18:00:00",""
"1556563","28.34","0.004","12.5017","0.0016","26.031","0.003","90","","112.042","0.001","90","","8548.6","1.9","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Dy2 F36 N4 O12 S2 -","- C72 H50 Dy2 F36 N4 O12 S2 -","- C288 H200 Dy8 F144 N16 O48 S8 -","4","0.5","","Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M.","Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge","Inorganics","2018","6","","9","","10.3390/inorganics6010009","","","0.71073","MoKα","","0.1066","0.0784","","","0.2007","0.2358","","","","","","1.033","","","","has coordinates,has disorder","245059","2020-10-21","18:00:00",""
"1556564","11.7047","0.0003","19.6164","0.0001","20.8522","0.0002","71.022","0.008","79.601","0.009","70.806","0.007","4261.3","0.3","96.1","0.2","96.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Dy2 F36 N4 O12 S2 -","- C72 H50 Dy2 F36 N4 O12 S2 -","- C144 H100 Dy4 F72 N8 O24 S4 -","2","1","","Cosquer, G.; Kamila, M.; Li, Z.-Y.; Breedlove, B.K.; Yamashita, M.","Photo-Modulation of Single-Molecule Magnetic Dynamics of a Dysprosium Dinuclear Complex via a Diarylethene Bridge","Inorganics","2018","6","","9","","10.3390/inorganics6010009","","","0.71073","MoKα","","0.0434","0.0365","","","0.0928","0.0963","","","","","","0.978","","","","has coordinates,has disorder","245059","2020-10-21","18:00:00",""
"1556580","10.4542","0.0005","12.3869","0.0006","10.614","0.0005","90","","117.912","0.001","90","","1214.57","0.1","100","2","99.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H36 F6 N O6 P Si2 -","- C14 H36 F6 N O6 P Si2 -","- C28 H72 F12 N2 O12 P2 Si4 -","2","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0207","0.0203","","","0.0528","0.0529","","","","","","1.076","","","","has coordinates,has disorder","245200","2020-10-21","18:00:00",""
"1556581","14.9582","0.0007","12.6454","0.0006","16.3325","0.0008","90","","104.95","0.002","90","","2984.8","0.2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C19 H38 Cl2 F6 N O6 P Si2 -","- C19.0007 H37.9984 Cl2.0007 F6 N O6 P Si2 -","- C76.0028 H151.994 Cl8.0028 F24 N4 O24 P4 Si8 -","4","1","","Dankert, F.; Reuter, K.; Donsbach, C.; Von Hanisch, C.","Hybrid Disila-Crown Ethers as Hosts for Ammonium Cations: The O-Si-Si-O Linkage as an Acceptor for Hydrogen Bonding","Inorganics","2018","6","","15","","10.3390/inorganics6010015","","","0.71073","MoKα","","0.0635","0.0535","","","0.1267","0.1329","","","","","","1.035","","","","has coordinates,has disorder","245201","2020-10-21","18:00:00",""
"1556582","13.06","0.006","19.92","0.01","21.49","0.011","65.028","0.006","87.853","0.007","89.408","0.007","5064","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H47 Al3 F3 N6 O9 -","- C65 H47 Al3 F3 N6 O9 -","- C130 H94 Al6 F6 N12 O18 -","2","1","","Yin, H.-Y.; Lai, J.; Tang, J.; Shang, Y.; Zhang, J.-L.","A Cryptand-Type Aluminum Tris(salophen) Complex: Synthesis, Characterization, and Cell Imaging Application","Inorganics","2018","6","","20","","10.3390/inorganics6010020","","","0.71073","MoKα","","0.0991","0.0556","","","0.1471","0.1635","","","","","","1.014","","","","has coordinates","245202","2020-10-21","18:00:00",""
"1556583","17.338","0.0016","18.0108","0.0017","22.317","0.002","90","","90","","90","","6969","1.1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H58 Si8 -","- C22 H58 Si8 -","- C176 H464 Si64 -","8","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0251","0.0218","","","0.0583","0.0619","","","","","","1.051","","","","has coordinates","245203","2020-10-21","18:00:00",""
"1556584","15.7323","0.0017","11.7003","0.0013","21.031","0.002","90","","107.188","0.001","90","","3698.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H57 K Si7 -","- C26 H57 K Si7 -","- C104 H228 K4 Si28 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0256","0.0234","","","0.0624","0.0642","","","","","","1.049","","","","has coordinates","245204","2020-10-21","18:00:00",""
"1556585","9.0608","0.0019","37.64","0.008","11.263","0.002","90","","103.23","0.002","90","","3739.3","1.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H64 Si8 -","- C25 H64 Si8 -","- C100 H256 Si32 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.078","0.0729","","","0.1784","0.1806","","","","","","1.335","","","","has coordinates","245205","2020-10-21","18:00:00",""
"1556586","9.0529","0.0003","11.9109","0.0004","19.1793","0.0007","93.948","0.001","90.181","0.001","109.133","0.001","1948.47","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H57 Br Si7 -","- C33 H57 Br Si7 -","- C66 H114 Br2 Si14 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0306","0.0263","","","0.0679","0.0701","","","","","","1.043","","","","has coordinates","245206","2020-10-21","18:00:00",""
"1556587","17.7493","0.0008","9.0323","0.0004","23.7624","0.001","90","","91.283","0.001","90","","3808.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 Si7 -","- C33 H58 Si7 -","- C132 H232 Si28 -","4","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.037","0.032","","","0.0808","0.0847","","","","","","1.038","","","","has coordinates,has disorder","245207","2020-10-21","18:00:00",""
"1556588","11.9302","0.0009","12.8081","0.001","15.7049","0.0013","95.628","0.002","98.481","0.002","90.755","0.002","2361.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H66 Si6 -","- C51 H66 Si6 -","- C102 H132 Si12 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0458","0.035","","","0.0885","0.0954","","","","","","1.028","","","","has coordinates,has disorder","245208","2020-10-21","18:00:00",""
"1556589","11.4093","0.0011","15.6821","0.0015","19.5623","0.0019","84.802","0.001","75.911","0.001","71.975","0.001","3227.8","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H98 O0 Si14 -","- C38 H98 Si14 -","- C76 H196 Si28 -","2","1","","Akasaka, N.; Tanaka, K.; Ishida, S.; Iwamoto, T.","Synthesis and Functionalization of a 1,2-Bis(trimethylsilyl)-1,2-disilacyclohexene That Can Serve as a Unit of cis-1,2-Dialkyldisilene","Inorganics","2018","6","","21","","10.3390/inorganics6010021","","","0.71073","MoKα","","0.0309","0.0266","","","0.0716","0.0759","","","","","","1.039","","","","has coordinates","245209","2020-10-21","18:00:00",""
"1556590","11.9277","0.0007","19.21","0.0011","28.2172","0.0016","90","","90","","90","","6465.4","0.6","120","2","120","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C29 H44 Cl F6 Ir N3 O1.5 P -","- C232 H352 Cl8 F48 Ir8 N24 O12 P8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0487","0.0287","","","0.0502","0.0563","","","","","","1.022","","","","has coordinates,has disorder","245210","2020-10-21","18:00:00",""
"1556591","22.6979","0.0012","20.6402","0.001","28.5118","0.0013","90","","90","","90","","13357.5","1.1","100","2","100","","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C54 H84 Cl2 F18 Ir2 K N6 O2 P3 -","- C54 H80 Cl2 F18 Ir2 K N6 O2 P3 -","- C432 H640 Cl16 F144 Ir16 K8 N48 O16 P24 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","1.54178","CuKα","","0.0486","0.0356","","","0.0835","0.0918","","","","","","1.038","","","","has coordinates,has disorder","245211","2020-10-21","18:00:00",""
"1556592","12.1218","0.001","19.268","0.0015","28.333","0.002","90","","90","","90","","6617.5","0.9","200","2","200","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C29 H44 Cl F6 N3 O1.5 P Rh -","- C232 H352 Cl8 F48 N24 O12 P8 Rh8 -","8","1","","Grotjahn, D.B.; Martin, J.K.; Tom, T.N.; Rheingold, A.L.","Cationic Protic Imidazolylidene NHC Complexes of Cp*IrCl+ and Cp*RhCl+ with a Pyridyl Tether Formed at Ambient Temperature","Inorganics","2018","6","","27","","10.3390/inorganics6010027","","","0.71073","MoKα","","0.0659","0.0468","","","0.1268","0.1394","","","","","","1.029","","","","has coordinates,has disorder","245212","2020-10-21","18:00:00",""
"1556593","15.7258","0.0015","7.9668","0.0008","16.0813","0.0014","90","","90","","90","","2014.7","0.3","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","0.5","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0767","0.0552","","","0.1415","0.157","","","","","","1.018","","","","has coordinates,has disorder","245213","2020-10-21","18:00:00",""
"1556594","9.568","0.0003","16.9878","0.0004","16.0384","0.0005","90","","106.868","0.003","90","","2494.71","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 In N2 -","- C25 H37 In N2 -","- C100 H148 In4 N8 -","4","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0311","0.0245","","","0.0601","0.0646","","","","","","1.05","","","","has coordinates,has disorder","245214","2020-10-21","18:00:00",""
"1556595","11.5312","0.0003","18.7807","0.0005","19.0639","0.0005","90","","100.916","0.003","90","","4053.85","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Ga N2 O -","- C38 H47 Ga N2 O -","- C152 H188 Ga4 N8 O4 -","4","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0556","0.0373","","","0.0871","0.0947","","","","","","1.029","","","","has coordinates","245215","2020-10-21","18:00:00",""
"1556596","28.4159","0.0012","28.4159","0.0012","19.2051","0.001","90","","90","","90","","15507.4","1.2","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C38 H47 In N2 O -","- C38 H47 In N2 O -","- C608 H752 In16 N32 O16 -","16","1","","Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.","Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes","Inorganics","2018","6","","28","","10.3390/inorganics6010028","","x-ray","0.71073","MoKα","","0.0859","0.0505","","","0.116","0.1532","","","","","","1.095","","","","has coordinates","245216","2020-10-21","18:00:00",""
"1556597","8.2231","0.0011","12.833","0.002","17.175","0.002","80.864","0.007","77.901","0.007","88.862","0.008","1749.5","0.4","273","","273","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Dy O11 S -","- C32 H35 Dy O11 S -","- C64 H70 Dy2 O22 S2 -","2","1","","Khalfaoui, O.; Beghidja, A.; Long, J.; Beghidja, C.; Guari, Y.; Larionova, J.","Field-Induced Slow Relaxation in a Dinuclear Dysprosium(III) Complex Based on 3-Methoxycinnamic Acid","Inorganics","2018","6","","35","","10.3390/inorganics6010035","","","0.71073","MoKα","","0.0495","0.0354","","","0.0763","0.0816","","","","","","1.048","","","","has coordinates,has disorder","245217","2020-10-21","18:00:00",""
"1556598","15.8351","0.0014","23.865","0.002","19.0098","0.0019","90","","101.191","0.004","90","","7047.3","1.1","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H73 Dy F18 O10 S4 -","- C63 H73 Dy F18 O10 S4 -","- C252 H292 Dy4 F72 O40 S16 -","4","1","","Flores Gonzalez, J.; Cador, O.; Ouahab, L.; Norkov, S.; Kuropatov, V.; Pointillart, F.","Field-Induced Dysprosium Single-Molecule Magnet Involving a Fused o-Semiquinone-Extended-Tetrathiafulvalene-o-Semiquinone Bridging Triad","Inorganics","2018","6","","45","","10.3390/inorganics6020045","","x-ray","0.71073","MoKα","","0.0681","0.0436","","","0.1003","0.1141","","","","","","0.967","","","","has coordinates","245218","2020-10-21","18:00:00",""
"1556601","19.78","0.001","19.78","0.001","20.291","0.001","90","","90","","90","","7938.8","0.7","170","2","170","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 S8 Zn4 -","- C56 H80 N32 S8 Zn4 -","- C112 H160 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2583","0.1616","","","0.3933","0.4359","","","","","","1.145","","","","has coordinates","245239","2020-10-21","18:00:00",""
"1556602","19.0949","0.0011","19.0949","0.0011","21.3112","0.0013","90","","90","","90","","7770.4","0.8","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C80 H64 N32 S8 Zn4 -","- C80 H64 N32 S8 Zn4 -","- C160 H128 N64 S16 Zn8 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","x-ray","0.71073","MoKα","","0.2697","0.1635","","","0.3885","0.443","","","","","","1.189","","","","has coordinates","245240","2020-10-21","18:00:00",""
"1556603","20.065","0.002","20.065","0.002","19.1367","0.0018","90","","90","","90","","7704.5","1.3","170","2","170","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C48 H64 N32 Ni4 O S8 -","- C48 H64 N32 Ni4 O S8 -","- C96 H128 N64 Ni8 O2 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.3209","0.1743","","","0.4296","0.4928","","","","","","1.102","","","","has coordinates","245241","2020-10-21","18:00:00",""
"1556604","18.8863","0.0009","18.8863","0.0009","18.4813","0.001","90","","90","","90","","6592.1","0.6","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C40 H48 N32 Ni4 S8 -","- C40 H48 N32 Ni4 S8 -","- C80 H96 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.2531","0.1191","","","0.3035","0.3937","","","","","","0.989","","","","has coordinates,has disorder","245242","2020-10-21","18:00:00",""
"1556605","20.4341","0.0015","20.4341","0.0015","19.355","0.0019","90","","90","","90","","8081.7","1.2","293","2","293","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C56 H80 N32 Ni4 S8 -","- C56 H80 N32 Ni4 S8 -","- C112 H160 N64 Ni8 S16 -","2","0.125","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.161","0.1086","","","0.3048","0.3618","","","","","","1.224","","","","has coordinates","245243","2020-10-21","18:00:00",""
"1556606","18.4946","0.0009","18.4946","0.0009","18.193","0.0009","90","","90","","90","","6222.9","0.5","170","2","170","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C40 H48 N32 Ni4 O S8 -","- C40 H48 N32 Ni4 O S8 -","- C80 H96 N64 Ni8 O2 S16 -","2","0.25","","Arefyeva, N.; Sandleben, A.; Krest, A.; Baumann, U.; Schafer, M.; Kempf, M.; Klein, A.","[2 x 2] Molecular Grids of Ni(II) and Zn(II) with Redox-Active 1,4-Pyrazine-Bis(thiosemicarbazone) Ligands","Inorganics","2018","6","","51","","10.3390/inorganics6020051","","","0.71073","MoKα","","0.1778","0.1231","","","0.3282","0.361","","","","","","1.216","","","","has coordinates","245244","2020-10-21","18:00:00",""
"1556607","11.04","0.002","19.136","0.004","27.568","0.006","90","","94.95","0.03","90","","5802","2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H57 Dy N3 O14 P3 -","- C60 H57 Dy N3 O14 P3 -","- C240 H228 Dy4 N12 O56 P12 -","4","1","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0321","0.0312","","","0.0826","0.0833","","","","","","1.047","","","","has coordinates","245245","2020-10-21","18:00:00",""
"1556608","16.0038","0.0008","16.5124","0.0008","26.6249","0.001","90","","90","","90","","7035.9","0.6","123","2","123","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C72 H60 Dy N3 O13 P4 -","- C72 H60 Dy N3 O13 P4 -","- C288 H240 Dy4 N12 O52 P16 -","4","0.5","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0869","0.0637","","","0.1669","0.1853","","","","","","1.124","","","","has coordinates,has disorder","245246","2020-10-21","18:00:00",""
"1556609","19.684","0.004","15.211","0.003","34.082","0.007","90","","95.91","0.03","90","","10150","4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H48 Cl3 Dy O3.5 P3 -","- C55.5 H48 Cl3 Dy O3.5 P3 -","- C444 H384 Cl24 Dy8 O28 P24 -","8","2","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0335","0.0322","","","0.0818","0.0826","","","","","","1.076","","","","has coordinates,has disorder","245247","2020-10-21","18:00:00",""
"1556610","35.8608","0.001","43.6134","0.0013","26.6974","0.0007","90","","96.885","0.003","90","","41454","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl3 Dy O4 P4 -","- C72 H60 Cl3 Dy O4 P4 -","- C1440 H1200 Cl60 Dy20 O80 P80 -","20","2.5","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.1075","0.064","","","0.145","0.1776","","","","","","1.022","","","","has coordinates","245248","2020-10-21","18:00:00",""
"1556611","19.4549","0.0002","19.8966","0.0003","19.9214","0.0003","90.301","0.001","96.296","0.001","115.612","0.001","6899.73","0.17","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Cl6 Dy Fe O4 P4 -","- C72 H60 Cl6 Dy Fe O4 P4 -","- C288 H240 Cl24 Dy4 Fe4 O16 P16 -","4","2","","Langley, S.K.; Vignesh, K.R.; Holton, K.; Benjamin, S.; Hix, G.B.; Phonsri, W.; Moubaraki, B.; Murray, K.S.; Rajaraman, G.","Mononuclear Dysprosium(III) Complexes with Triphenylphosphine Oxide Ligands: Controlling the Coordination Environment and Magnetic Anisotropy","Inorganics","2018","6","","61","","10.3390/inorganics6020061","","","0.71073","MoKα","","0.0494","0.0377","","","0.0706","0.0745","","","","","","1.064","","","","has coordinates","245249","2020-10-21","18:00:00",""
"1556612","16.0557","0.0011","20.7694","0.0015","21.3136","0.0014","115.639","0.005","98.267","0.005","101.194","0.006","6073.6","0.8","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H112 F12 N4 O24 Ru4 S4 -","- C116 H112 F12 N4 O24 Ru4 S4 -","- C232 H224 F24 N8 O48 Ru8 S8 -","2","1","","Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.","Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application","Inorganics","2018","6","","97","","10.3390/inorganics6030097","","","0.71073","MoKα","","0.2609","0.0911","","","0.2228","0.2939","","","","","","0.836","","","","has coordinates","245250","2020-10-21","18:00:00",""
"1556613","5.0015","0.0006","16.944","0.002","11.5374","0.0015","90","","92.433","0.01","90","","976.9","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C56 H32 N4 -","2","1","","Gaschard, M.; Nehzat, F.; Cheminel, T.; Therrien, B.","Arene Ruthenium Metalla-Assemblies with Anthracene Moieties for PDT Application","Inorganics","2018","6","","97","","10.3390/inorganics6030097","","","0.71073","MoKα","","0.2449","0.0799","","","0.1714","0.2388","","","","","","0.805","","","","has coordinates","245250","2020-10-21","18:00:00",""
"1556614","11.3287","0.0013","17.976","0.002","46.325","0.005","90","","90","","90","","9433.8","1.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H76 Si11 -","- C32 H76 Si11 -","- C256 H608 Si88 -","8","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0482","0.0377","","","0.0793","0.0839","","","","","","1.099","","","","has coordinates","245251","2020-10-21","18:00:00",""
"1556615","11.5327","0.0018","17.883","0.003","21.56","0.003","69.416","0.002","85.458","0.002","76.379","0.002","4045.5","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65.5 H136 Si16 -","- C65.5 H136 Si16 -","- C131 H272 Si32 -","2","1","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0461","0.0357","","","0.0872","0.0941","","","","","","1.038","","","","has coordinates,has disorder","245252","2020-10-21","18:00:00",""
"1556616","21.538","0.002","17.9167","0.0019","20.793","0.003","90","","118.875","0.001","90","","7026.3","1.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H116 Si16 -","- C48 H116 Si16 -","- C192 H464 Si64 -","4","0.5","","Akasaka, N.; Ishida, S.; Iwamoto, T.","Transformative Si8R8 Siliconoids","Inorganics","2018","6","","107","","10.3390/inorganics6040107","","","0.71073","MoKα","","0.0617","0.0363","","","0.0769","0.091","","","","","","1.077","","","","has coordinates","245253","2020-10-21","18:00:00",""
"1556617","18.055","0.003","26.458","0.005","16.438","0.003","90","","90","","90","","7852","2","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H26 Cu I N6 -","- C17 H26 Cu I N6 -","- C272 H416 Cu16 I16 N96 -","16","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0581","0.0434","","","0.0951","0.1043","","","","","","1.095","","","","has coordinates","245254","2020-10-21","18:00:00",""
"1556618","7.1936","0.001","12.8127","0.0017","20.599","0.003","90","","93.439","0.002","90","","1895.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Br Cu N6 -","- C17 H26 Br Cu N6 -","- C68 H104 Br4 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0465","0.036","","","0.0857","0.09","","","","","","1.045","","","","has coordinates","245255","2020-10-21","18:00:00",""
"1556619","7.1451","0.001","12.7869","0.0017","20.53","0.003","90","","93.699","0.003","90","","1871.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl Cu N6 -","- C17 H26 Cl Cu N6 -","- C68 H104 Cl4 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0562","0.0414","","","0.098","0.1059","","","","","","1.035","","","","has coordinates","245256","2020-10-21","18:00:00",""
"1556620","15.234","0.003","8.1012","0.0014","17.631","0.003","90","","113.072","0.003","90","","2001.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Cl2 Cu N6 -","- C17 H26 Cl2 Cu N6 -","- C68 H104 Cl8 Cu4 N24 -","4","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.0676","0.0471","","","0.1113","0.1199","","","","","","1.031","","","","has coordinates","245257","2020-10-21","18:00:00",""
"1556621","13.8689","0.0018","14.0995","0.0018","14.6916","0.0019","112.944","0.002","96.288","0.002","112.879","0.002","2319.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Cu2 F6 N12 O6 S2 -","- C36 H52 Cu2 F6 N12 O6 S2 -","- C72 H104 Cu4 F12 N24 O12 S4 -","2","1","","Strassl, F.; Hoffmann, A.; Grimm-Lebsanft, B.; Rukser, D.; Biebl, F.; Tran, M.A.; Metz, F.; Rubhausen, M.; Herres-Pawlis, S.","Fluorescent Bis(guanidine) Copper Complexes as Precursors for Hydroxylation Catalysis","Inorganics","2018","6","","114","","10.3390/inorganics6040114","","","0.71073","MoKα","","0.061","0.0446","","","0.1035","0.1092","","","","","","1.01","","","","has coordinates","245258","2020-10-21","18:00:00",""
"1556756","3.5029","0.0001","12.8699","0.0005","15.6768","0.0008","90","","90","","90","","706.74","0.05","400","2","400","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.27865","synchrotron","","0.0238","0.0197","","","0.0519","0.053","","","","","","1.147","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556757","3.4375","0.0002","12.375","0.001","15.4437","0.0014","90","","90","","90","","656.96","0.09","300","2","300","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni4 Se20 Ta8 -","4","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0433","0.0352","","","0.0886","0.0901","","","","","","0.998","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556758","3.437","0.001","5.861","0.001","15.512","0.0001","90","","90","","90","","312.48","0.11","200","2","200","2","","","","","","","","3","P m n m :2","-P 2c 2a","59","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni2 Se10 Ta4 -","2","0.25","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0406","0.0346","","","0.0797","0.081","","","","","","1.139","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556759","3.437","0.001","5.849","0.011","15.512","0.001","90","","90.53","0.01","90","","311.8","0.6","50","2","50","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- Ni Se5 Ta2 -","- Ni Se5 Ta2 -","- Ni2 Se10 Ta4 -","2","0.5","","Nakano, Akitoshi; Sugawara, Kento; Tamura, Shinya; Katayama, Naoyuki; Matsubayashi, Kazuyuki; Okada, Taku; Uwatoko, Yoshiya; Munakata, Kouji; Nakao, Akiko; Sagayama, Hajime; Kumai, Reiji; Sugimoto, Kunihisa; Maejima, Naoyuki; Machida, Akihiko; Watanuki, Tetsu; Sawa, Hiroshi","Pressure-induced coherent sliding-layer transition in the excitonic insulator Ta<sub>2</sub>NiSe<sub>5</sub>.","IUCrJ","2018","5","Pt 2","158","165","10.1107/S2052252517018334","","","0.413","synchrotron","","0.0557","0.0487","","","0.1122","0.1143","","","","","","1.047","","","","has coordinates","245731","2020-10-21","18:00:00",""
"1556829","11.7925","0.0004","11.9665","0.0004","13.4375","0.0004","93.29","0.002","95.681","0.002","118.683","0.002","1643.38","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Cl2 Cu2 I2 N O2 S2 -","- C30 H29 Cl2 Cu2 I2 N O2 S2 -","- C60 H58 Cl4 Cu4 I4 N2 O4 S4 -","2","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0935","0.0738","","","0.2191","0.2336","","","","","","1.113","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556830","23.3017","0.0006","13.4569","0.0004","26.9935","0.0007","90","","102.963","0.001","90","","8248.6","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 Cd2 I4 N O2 S2 -","- C29 H27 Cd2 I4 N O2 S2 -","- C232 H216 Cd16 I32 N8 O16 S16 -","8","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0535","0.0432","","","0.0992","0.1025","","","","","","1.112","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556831","11.66","0.003","12.147","0.003","12.585","0.004","75.142","0.011","87.056","0.013","86.996","0.013","1719.2","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 Cd4 I8 N2 O4 S4 -","- C58 H54 Cd4 I8 N2 O4 S4 -","- C58 H54 Cd4 I8 N2 O4 S4 -","1","0.5","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0247","0.0205","","","0.044","0.0457","","","","","","1.028","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556832","11.3166","0.0011","13.4404","0.0015","24.586","0.002","86.655","0.007","89.396","0.006","78.371","0.007","3656.5","0.6","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H106 Cd8 I16 N4 O8 S8 -","- C116 H106 Cd8 I16 N4 O8 S8 -","- C116 H106 Cd8 I16 N4 O8 S8 -","1","0.5","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.2147","0.1848","","","0.4191","0.4304","","","","","","1.129","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556833","8.9645","0.0002","14.4098","0.0003","14.8826","0.0003","65.853","0.001","73.386","0.001","81.546","0.001","1680.04","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H27 Cd Cu I3 N O2 S2 -","- C29 H27 Cd Cu I3 N O2 S2 -","- C58 H54 Cd2 Cu2 I6 N2 O4 S4 -","2","1","","Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung","Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.","IUCrJ","2018","5","Pt 1","45","53","10.1107/S2052252517015081","","","0.71073","MoKα","","0.0194","0.0168","","","0.0377","0.0389","","","","","","1.043","","","","has coordinates","246061","2020-10-21","18:00:00",""
"1556834","19.442","0.0015","19.442","0.0015","19.442","0.0015","90","","90","","90","","7348.9","1","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.438824 Na0.00364706 O2 Si -","- C59.68 Na0.496 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.0666","0.0548","","","0.133","0.1367","","","","","","1.154","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556835","19.4214","0.0015","19.4214","0.0015","19.4214","0.0015","90","","90","","90","","7325.6","1","273","2","273","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.451765 Na0.00458824 O2 Si -","- C61.44 Na0.624 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.0883","0.0799","","","0.1583","0.1607","","","","","","1.258","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556836","23.7844","0.0003","13.732","0.005","23.784","0.003","90","","109.47","","90","0.03","7324","3","250","2","250","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.766667 O4.53333 Si2.26667 -","- C46 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2156","0.1014","","","0.2597","0.2801","","","","","","1.143","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556837","19.4199","0.0015","19.4199","0.0015","19.4199","0.0015","90","","90","","90","","7323.9","1","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.487059 Na0.00588235 O2 Si -","- C66.24 Na0.8 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1723","0.1675","","","0.3247","0.3265","","","","","","1.002","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556838","23.834","0.005","13.76","0.005","23.833","0.003","90","","109.47","","90","0.03","7369","3","200","2","200","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.614667 O4.53333 Si2.26667 -","- C36.88 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1783","0.0879","","","0.2436","0.2784","","","","","","0.915","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556839","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.508235 Na0.00705882 O2 Si -","- C69.12 Na0.96 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2041","0.1998","","","0.3773","0.379","","","","","","1.287","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556840","23.834","0.005","13.76","0.005","23.833","0.003","90","","109.47","","90","0.03","7369","3","150","2","150","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.682667 O4.53333 Si2.26667 -","- C40.96 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1369","0.064","","","0.1622","0.1861","","","","","","0.839","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556841","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","150","2","150","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.538824 Na0.00941176 O2 Si -","- C73.28 Na1.28 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2253","0.2203","","","0.4126","0.4153","","","","","","1.201","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556842","23.7054","0.0002","13.6861","0.0011","23.7051","0.0002","90","","109.47","","90","0.03","7251","0.6","100","2","100","2","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","","","- C0.58 Na0.02 O4.53 Si2.27 -","- C0.725333 O4.53333 Si2.26667 -","- C43.52 O272 Si136 -","60","7.5","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.1387","0.0706","","","0.1768","0.1991","","","","","","0.896","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1556843","19.3944","0.0015","19.3944","0.0015","19.3944","0.0015","90","","90","","90","","7295.1","1","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C0.26 Na0.01 O2 Si -","- C0.527059 Na0.0105882 O2 Si -","- C71.68 Na1.44 O272 Si136 -","136","0.708333","","Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald","The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature.","IUCrJ","2018","5","Pt 5","595","607","10.1107/S2052252518009107","","","0.71073","MoKα","","0.2351","0.2308","","","0.4282","0.4303","","","","","","1.192","","","","has coordinates","246062","2020-10-21","18:00:00",""
"1557743","12.402","0.002","9.414","0.001","3.216","0.001","90","","97.73","0.03","90","","372.06","0.14","","","293","","","","","","","","surgery product from a man's liver","4","P 1 21/a 1","-P 2yab","14","chukanovite Fe2(CO3)(OH)2","","Chukanovite","- C H2 Fe2 O5 -","- C Fe2 O5 -","- C4 Fe8 O20 -","4","1","","Seungyeol Lee; Huifang Xu","The crystal structure and Gibbs free energy of formation of chukanovite as an oxidation product of carbon steel in human liver","Chemical Geology","2018","488","","180","188","10.1016/j.chemgeo.2018.04.033","powder diffraction","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1558898","8.71929","0.00008","8.71929","0.00008","21.4656","0.0002","90","","90","","120","","1413.31","0.02","","","298","","","","100","","","","","3","R 3 :H","R 3","146","beta-Li10P4N10","","","- Li10 N10 P4 -","- Li9.9999 N10 P4 -","- Li59.9994 N60 P24 -","6","0.666667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255591","2020-10-21","18:00:00",""
"1558899","13.9321","0.0002","13.9321","0.0002","13.9321","0.0002","90","","90","","90","","2704.27","0.07","","","298","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","Li13P4N10Cl3","","","- Cl3 Li13 N10 P4 -","- Cl3 Li13 N10 P4 -","- Cl24 Li104 N80 P32 -","8","0.0416667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255592","2020-10-21","18:00:00",""
"1558900","14.1096","0.0007","14.1096","0.0007","14.1096","0.0007","90","","90","","90","","2809","0.2","","","298","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","Li13P4N10Br3","","","- Br3 Li13 N10 P4 -","- Br3 Li13 N10 P4 -","- Br24 Li104 N80 P32 -","8","0.0416667","","Bertschler, E.-M.; Dietrich, C.; Leichtweib, T.; Janek, J.; Schnick, W.","Li+ ion conductors with adamantane-type nitridophosphate anions beta-Li10P4N10 and Li13P4N10X3 with X = Cl, Br","Chemistry A European Journal","2018","24","","196","205","10.1002/chem.201704305","","","","","","","","","","","","","","","","","","","","","has coordinates","255595","2020-10-21","18:00:00",""
"1559345","3.91596","0.00002","5.65637","0.00002","6.0677","0.00003","82.3705","0.00018","85.0719","0.00018","113.5","0.00016","120.729","0.001","300","","300","","","","","","","","","4","P -1","-P 1","2","copper(II) thiocyanate","catena[bis(mu2-thiocyanato-N,S)copper(II)]","","- C2 Cu N2 S2 -","- C2 Cu N2 S2 -","- C2 Cu N2 S2 -","1","0.5","","Matthew J. Cliffe; Jeongjae Lee; Joseph A. M. Paddison; Sam Schott; Paromita Mukherjee; Michael W. Gaultois; Pascal Manuel; Henning Sirringhaus; Sian E. Dutton; Clare P. Grey","Low-dimensional quantum magnetism in Cu(NCS)2, a molecular framework material","Physical Review B","2018","97","14","144421","","10.1103/PhysRevB.97.144421","powder diffraction","","0.414537","","","","","","","","","","","1.1449","","","","","","","has coordinates","287944","2023-12-01","18:23:59",""
"1559905","6.1471","0.0002","30.0605","0.001","12.9583","0.0004","90","","100.269","0.002","90","","2356.14","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C12 H16 N3 O2 -","- C12 H16 N3 O2 -","- C96 H128 N24 O16 -","8","2","","Saùl, Andrès; Gauthier, Nicolas; Askari, Reza Moosavi; Côté, Michel; Maris, Thierry; Reber, Christian; Lannes, Anthony; Luneau, Dominique; Nicklas, Michael; Law, Joseph M.; Green, Elizabeth Lauren; Wosnitza, Jochen; Bianchi, Andrea Daniele; Feiguin, Adrian","Unconventional field induced phases in a quantum magnet formed by free radical tetramers","Physical Review B","2018","97","","064414","","10.1103/PhysRevB.97.064414","","","1.54178","CuKα","","0.0416","0.0363","","","0.0982","0.1026","","","","","","1.025","","","","has coordinates","260372","2021-01-02","15:34:26",""
"1559915","19.908","0.009","14.944","0.008","12.194","0.006","90","","91.379","0.018","90","","3627","3","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-[bis(μ-4,4'-bipyridine)-tetrakis(μ-dicyanamido)-di-iron 4,4'-bipyridine ethanol solvate]","","- C34.82 H25.85 Fe2 N16.96 O -","- C34.815 H25.852 Fe2 N16.963 O -","- C139.26 H103.408 Fe8 N67.852 O4 -","4","0.5","","Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima","The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey","Journal of Molecular Structure","2018","1173","","697","706","10.1016/j.molstruc.2018.07.049","","","0.71073","MoKα","","0.0841","0.043","","","0.1059","0.1252","","","","","","1.032","","","","has coordinates,has disorder","260392","2021-01-03","17:28:59",""
"1559916","7.427","0.005","16.682","0.005","13.601","0.005","90","","96.413","0.005","90","","1674.6","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-poly[(5,5'-dimethyl-2,2'- bipyridine)bis(dicyanamido)ion(II)]","","- C16 H12 Fe N8 -","- C16 H12 Fe N8 -","- C64 H48 Fe4 N32 -","4","0.5","","Setifi, Zouaoui; Geiger, David; Jelsch, Christian; Maris, Thierry; Glidewell, Christopher; Mirzaei, Masoud; Arefian, Mina; Setifi, Fatima","The first Fe(II) complex bearing end-to-end dicyanamide as a double bridging ligand: Crystallography study and Hirshfeld surface analysis; completed with a CSD survey","Journal of Molecular Structure","2018","1173","","697","706","10.1016/j.molstruc.2018.07.049","","","0.71073","MoKα","","0.046","0.0325","","","0.087","0.0938","","","","","","1.05","","","","has coordinates","260393","2021-01-03","17:29:09",""
"1560709","27.459","0.004","24.215","0.003","18.917","0.003","90","","113.399","0.002","90","","11544","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H36.5 Cd4 N2.5 O22.5 -","- C46 H36.5 Cd4 N2.5 O22.5 -","- C368 H292 Cd32 N20 O180 -","8","1","","Zhao, Li; Zhang, Jie; Wang, Jiang; Niu, Xiao-Yan; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Structural diversity, gas sorption properties, luminescent sensing of three Cd(II) complexes based on 3, 5-Di(2′, 5-dicarboxylphenyl)pyridine","Journal of Solid State Chemistry","2018","268","","1","8","10.1016/j.jssc.2018.08.028","","","0.71073","MoKα","","0.105","0.0525","","","0.1285","0.1491","","","","","","0.984","","","","has coordinates,has disorder","262304","2021-02-27","10:34:12",""
"1560710","24.0616","0.0008","28.9143","0.001","14.1125","0.0005","90","","124.973","0.001","90","","8045.4","0.5","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H19 Cd2 N3 O9 -","- C33 H19 Cd2 N3 O9 -","- C264 H152 Cd16 N24 O72 -","8","1","","Zhao, Li; Zhang, Jie; Wang, Jiang; Niu, Xiao-Yan; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Structural diversity, gas sorption properties, luminescent sensing of three Cd(II) complexes based on 3, 5-Di(2′, 5-dicarboxylphenyl)pyridine","Journal of Solid State Chemistry","2018","268","","1","8","10.1016/j.jssc.2018.08.028","","","0.71073","MoKα","","0.0925","0.0653","","","0.1358","0.1483","","","","","","1.072","","","","has coordinates,has disorder","262305","2021-02-27","10:35:26",""
"1560711","4.3496","0.0002","13.9735","0.0007","10.562","0.0005","90","","90","","90","","641.95","0.05","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Ag4 Ba5 Se12 U2.5 -","- Ag4 Ba5 Se12 U2.5 -","- Ag4 Ba5 Se12 U2.5 -","1","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","x-ray","0.71073","MoKα","","0.0848","0.0612","","","0.1613","0.1708","","","","4.32","4.32","3.88","","","","has coordinates","262306","2021-02-27","10:48:37",""
"1560712","4.4084","0.0002","13.9459","0.0007","10.5601","0.0006","90","","90","","90","","649.23","0.06","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Ag4 Ba6 Se12 U2 -","- Ag4 Ba6 Se12 U2 -","- Ag4 Ba6 Se12 U2 -","1","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","","0.71073","MoKα","","0.1111","0.0662","","","0.099","0.1093","","","","2.07","2.07","1.82","","","","has coordinates","262307","2021-02-27","10:49:46",""
"1560713","8.2292","0.0003","11.5252","0.0004","11.1483","0.0004","90","","90","","90","","1057.34","0.07","100","","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu4 S12 Sr4 Th3 -","- Cu4 S12 Sr4 Th2.999 -","- Cu8 S24 Sr8 Th5.998 -","2","0.5","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","","0.71073","MoKα","","0.0323","0.0266","","","0.062","0.0649","","","","","","1.109","","","","has coordinates","262308","2021-02-27","10:51:00",""
"1560714","8.2292","0.0003","11.5252","0.0004","11.1483","0.0004","90","","90","","90","","1057.34","0.07","100","2","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu8 S24 Sr8 Th5.78 -","- Cu8 S24 Sr8 Th5.776 -","- Cu8 S24 Sr8 Th5.776 -","1","0.25","","Mesbah, Adel; Prakash, Jai; Beard, Jessica C.; Malliakas, Christos D.; Lebègue, Sébastien; Ibers, James A.","Syntheses, modulated crystal structures of Ba6−2xU2+xAg4Se12 (x = 0 and 0.5), and crystal structure and spectroscopy of Sr4Th2.78Cu4S12","Journal of Solid State Chemistry","2018","268","","30","35","10.1016/j.jssc.2018.08.025","","","0.71073","MoKα","","0.0305","0.0247","","","0.0519","0.0541","","","","","","1.203","","","","has coordinates","262309","2021-02-27","10:52:31",""
"1560715","6.255","0.004","10.925","0.006","5.352","0.003","90","","91.592","0.01","90","","365.6","0.4","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Cu N8 O4 -","- C2 H4 Cu N8 O4 -","- C4 H8 Cu2 N16 O8 -","2","0.5","","Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia","Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships","Journal of Solid State Chemistry","2018","268","","55","61","10.1016/j.jssc.2018.08.030","","","0.71073","MoKα","","0.0728","0.0458","","","0.1075","0.1203","","","","","","1.017","","","","has coordinates","262310","2021-02-27","11:00:49",""
"1560716","11.85","0.002","11.85","0.002","13.084","0.002","90","","90","","90","","1837.3","0.5","296","2","296","2","","","","","","","","5","I 41","I 4bw","80","","","","- C8 H12 Cu2 N17 O4 -","- C8 H12 Cu2 N17 O4 -","- C32 H48 Cu8 N68 O16 -","4","0.5","","Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia","Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships","Journal of Solid State Chemistry","2018","268","","55","61","10.1016/j.jssc.2018.08.030","","","0.71073","MoKα","","0.0625","0.0544","","","0.1314","0.1376","","","","","","1.091","","","","has coordinates","262310","2021-02-27","11:00:49",""
"1560735","22.078","0.004","7.3183","0.0015","22.08","0.004","90","","94.08","0.03","90","","3558.5","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 O32 Zn4 -","- C24 H32 O32 Zn4 -","- C96 H128 O128 Zn16 -","4","1","","Hao, Xue-Min; Qu, Tao-Guang; Wang, Hao; Guo, Wen-Li; Chen, Fei; Wu, Yi-Bo; Yang, Dan; Xu, Zi-Li","A 3D porous coordination polymer transformed from a 1D nonporous coordination polymer for selectively sensing of diiodomethane","Journal of Solid State Chemistry","2018","268","","62","66","10.1016/j.jssc.2018.08.034","","","0.71073","MoKα","","0.1366","0.1068","","","0.2361","0.2487","","","","","","1.112","","","","has coordinates","262345","2021-03-02","07:42:07",""
"1560736","15.0173","0.0009","49.544","0.003","12.9624","0.0008","90","","106.869","0.002","90","","9229.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H8 K4 O20 Zn2 -","- C24 H8 K4 O20 Zn2 -","- C192 H64 K32 O160 Zn16 -","8","1","","Hao, Xue-Min; Qu, Tao-Guang; Wang, Hao; Guo, Wen-Li; Chen, Fei; Wu, Yi-Bo; Yang, Dan; Xu, Zi-Li","A 3D porous coordination polymer transformed from a 1D nonporous coordination polymer for selectively sensing of diiodomethane","Journal of Solid State Chemistry","2018","268","","62","66","10.1016/j.jssc.2018.08.034","","","0.71073","MoKα","","0.1534","0.0979","","","0.261","0.3044","","","","","","1.113","","","","has coordinates","262345","2021-03-02","07:42:08",""
"1560737","18.015","0.014","9.701","0.008","12.829","0.011","90","","117.56","0.03","90","","1988","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Co2 N18 O4 -","- C10 H14 Co2 N18 O4 -","- C40 H56 Co8 N72 O16 -","4","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Slow relaxation and magnetic coupling of magnetization in 3D CoII2-xZnIIx chain-based coordination frameworks with mixed double azide-tetrazolate bridges","Journal of Solid State Chemistry","2018","268","","108","114","10.1016/j.jssc.2018.08.032","","","0.71073","MoKα","","0.0517","0.0348","","","0.0795","0.0852","","","","","","1.031","","","","has coordinates","262346","2021-03-02","08:09:37",""
"1560738","18.088","0.014","9.688","0.008","12.881","0.011","90","","117.71","0.03","90","","1998","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Co2 N18 O4 -","- C10 H14 Co2 N18 O4 -","- C40 H56 Co8 N72 O16 -","4","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Slow relaxation and magnetic coupling of magnetization in 3D CoII2-xZnIIx chain-based coordination frameworks with mixed double azide-tetrazolate bridges","Journal of Solid State Chemistry","2018","268","","108","114","10.1016/j.jssc.2018.08.032","","","0.71073","MoKα","","0.0352","0.0299","","","0.0734","0.076","","","","","","1.058","","","","has coordinates","262346","2021-03-02","08:09:50",""
"1560739","18.285","0.014","10.202","0.008","13.482","0.011","90","","116.73","0.03","90","","2246","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N18 O4 Zn2 -","- C10 H14 N18 O4 Zn2 -","- C40 H56 N72 O16 Zn8 -","4","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Slow relaxation and magnetic coupling of magnetization in 3D CoII2-xZnIIx chain-based coordination frameworks with mixed double azide-tetrazolate bridges","Journal of Solid State Chemistry","2018","268","","108","114","10.1016/j.jssc.2018.08.032","","","0.71073","MoKα","","0.062","0.0588","","","0.2031","0.2076","","","","","","1.212","","","","has coordinates","262346","2021-03-02","08:09:50",""
"1560740","15.9372","0.0007","8.4078","0.0003","12.8703","0.0006","90","","110.09","0.002","90","","1619.65","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca Co O7 P2 -","- C12 H12 Ca Co O7 P2 -","- C48 H48 Ca4 Co4 O28 P8 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.084","0.047","","","0.0995","0.1189","","","","","","0.97","","","","has coordinates,has disorder","262347","2021-03-02","08:20:17",""
"1560741","15.988","0.002","8.6605","0.0009","13.2279","0.0014","90","","111.749","0.003","90","","1701.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co O7 P2 Sr -","- C12 H12 Co O7 P2 Sr -","- C48 H48 Co4 O28 P8 Sr4 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.0774","0.0408","","","0.0774","0.0924","","","","","","0.992","","","","has coordinates,has disorder","262348","2021-03-02","08:22:38",""
"1560742","8.8912","0.0011","13.8502","0.0016","14.233","0.002","91.703","0.007","93.394","0.007","90.035","0.007","1748.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Ba Co O8 P2 -","- C12 H12 Ba Co O8 P2 -","- C48 H48 Ba4 Co4 O32 P8 -","4","2","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.0884","0.0705","","","0.1855","0.2103","","","","","","1.058","","","","has coordinates","262349","2021-03-02","08:24:38",""
"1560743","8.0883","0.0003","15.4352","0.0006","15.3363","0.0006","90","","92.076","0.002","90","","1913.4","0.13","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C14 H18 Co O8 P2 Sr -","- C14 H14 Co O8 P2 Sr -","- C56 H56 Co4 O32 P8 Sr4 -","4","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1102","0.0752","","","0.1568","0.1688","","","","","","1.247","","","","has coordinates,has disorder","262350","2021-03-02","08:26:39",""
"1560744","29.9034","0.0014","15.9541","0.0006","8.2978","0.0003","90","","90","","90","","3958.7","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C14 H18 Ba Co O8 P2 -","- C14 H4 Ba Co O8 P2 -","- C112 H32 Ba8 Co8 O64 P16 -","8","1","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1003","0.0735","","","0.1419","0.1506","","","","","","1.305","","","","has coordinates,has disorder","262351","2021-03-02","08:28:47",""
"1560745","7.8041","0.0004","15.2148","0.0009","7.7763","0.0005","90","","99.908","0.004","90","","909.57","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Ca Co O8 P2 -","- C2 H8 Ca Co O8 P2 -","- C8 H32 Ca4 Co4 O32 P8 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.0551","0.0394","","","0.0878","0.0957","","","","","","1.057","","","","has coordinates","262352","2021-03-02","08:31:23",""
"1560746","7.953","0.002","15.166","0.005","7.972","0.002","90","","100.138","0.008","90","","946.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Co O8 P2 Sr -","- C2 H8 Co O8 P2 Sr -","- C8 H32 Co4 O32 P8 Sr4 -","4","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.1232","0.0732","","","0.1707","0.1994","","","","","","1.057","","","","has coordinates","262353","2021-03-02","08:34:03",""
"1560747","17.4975","0.0011","7.9423","0.0004","15.168","0.0009","90","","90","","90","","2107.9","0.2","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C3 H10 Co O8 P2 Sr -","- C3 H6 Co O8 P2 Sr -","- C24 H48 Co8 O64 P16 Sr8 -","8","0.5","","Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru","Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)","Journal of Solid State Chemistry","2018","268","","115","122","10.1016/j.jssc.2018.08.031","","","0.71073","MoKα","","0.0628","0.0355","","","0.0763","0.0874","","","","","","1.045","","","","has coordinates","262354","2021-03-02","08:35:50",""
"1560768","6.6713","0.0002","6.6713","0.0002","9.2849","0.0002","90","","90","","120","","357.873","0.017","296","2","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","barlowite","","- Br Cu4 D6 F O6 -","- Br Cu3.9999 D6 F O6 -","- Br2 Cu7.9998 D12 F2 O12 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0133","0.0133","","","0.0345","0.0345","","","","","","1.173","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39",""
"1560769","6.6704","0.0002","6.6704","0.0002","9.2864","0.0002","90","","90","","120","","357.834","0.017","296","2","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","barlowite","","- Br Cu4 F H6 O6 -","- Br Cu3.9999 F H6 O6 -","- Br2 Cu7.9998 F2 H12 O12 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0207","0.0207","","","0.0456","0.0456","","","","","","1.234","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39",""
"1560770","6.67592","0.000031","6.67592","0.000031","9.322265","0.000014","90","","90","","120","","359.811","0.002","298","","295","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Zn-substituted barlowite","","- Br Cu3 F O6 Zn -","- Br Cu3 F O6 Zn -","- Br2 Cu6 F2 O12 Zn2 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","powder diffraction","","0.41273","synchrotron","","","","","","","","","","1.951","","","","","","","has coordinates","262382","2021-03-03","08:12:39",""
"1560771","6.668","0.0004","6.668","0.0004","9.3036","0.0006","90","","90","","120","","358.24","0.04","296","2","296.15","","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- Br Cu3.67 F H6 O6 Zn0.34 -","- Br Cu3.6666 F H6 O6 Zn0.3333 -","- Br2 Cu7.3332 F2 H12 O12 Zn0.6666 -","2","0.0833333","","Smaha, Rebecca W.; He, Wei; Sheckelton, John P.; Wen, Jiajia; Lee, Young S.","Synthesis-dependent properties of barlowite and Zn-substituted barlowite","Journal of Solid State Chemistry","2018","268","","123","129","10.1016/j.jssc.2018.08.016","","","0.41328","synchrotron","","0.0349","0.0328","","","0.0771","0.0786","","","","","","1.155","","","","has coordinates,has disorder","262382","2021-03-03","08:12:39",""
"1560772","12.337","0.003","16.241","0.003","12.95","0.003","90","","116.53","0.03","90","","2321.5","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Jin, Haoqing; Xu, Jianing; Zhang, Liying; Ma, Bing; Shi, Xiangxiang; Fan, Yong; Wang, Li","Multi-responsive luminescent sensor based on Zn (II) metal-organic framework for selective sensing of Cr(III), Cr(VI) ions and p-nitrotolune","Journal of Solid State Chemistry","2018","268","","168","174","10.1016/j.jssc.2018.08.035","","","0.71073","MoKα","","0.029","0.0257","","","0.0642","0.0663","","","","","","1.013","","","","has coordinates","262383","2021-03-03","08:18:27",""
"1560773","13.6971","0.0005","25.5449","0.0009","15.0376","0.0006","90","","100.598","0.001","90","","5171.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cd N6 O8 -","- C26 H22 Cd N6 O8 -","- C208 H176 Cd8 N48 O64 -","8","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","3-Fold and 6-Fold interpenetrating diamond nets based on the designed N,N'-dioxide 3,3'-benzo(c)cinnoline dicarboxylic acid with highly sensitive luminscence sensing for NACs and Fe3+ ion","Journal of Solid State Chemistry","2018","267","","28","34","10.1016/j.jssc.2018.08.005","","","0.71073","MoKα","","0.0335","0.0309","","","0.0926","0.0953","","","","","","0.997","","","","has coordinates","262384","2021-03-03","08:28:54",""
"1560774","6.4259","0.0003","23.2131","0.0012","17.4546","0.001","90","","94.881","0.002","90","","2594.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 N12 O16 Zn2 -","- C52 H36 N12 O16 Zn2 -","- C104 H72 N24 O32 Zn4 -","2","0.5","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","3-Fold and 6-Fold interpenetrating diamond nets based on the designed N,N'-dioxide 3,3'-benzo(c)cinnoline dicarboxylic acid with highly sensitive luminscence sensing for NACs and Fe3+ ion","Journal of Solid State Chemistry","2018","267","","28","34","10.1016/j.jssc.2018.08.005","","","0.71073","MoKα","","0.1084","0.056","","","0.1275","0.1504","","","","","","1.002","","","","has coordinates","262384","2021-03-03","08:28:55",""
"1560775","9.589","0.0019","17.185","0.003","14.856","0.003","90","","100.07","0.03","90","","2410.4","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu F4 Mo N8 O2 -","- C16 H24 Cu F4 Mo N8 O2 -","- C64 H96 Cu4 F16 Mo4 N32 O8 -","4","1","","Belal Ahmed; Hongil Jo; Sung Won Yoon; Kwang Yong Choi; Kang Min Ok","A series of oxyfluoride chains containing asymmetric basic building units of both early- and late-transition metal cations","Journal of Solid State Chemistry","2018","267","","140","145","10.1016/j.jssc.2018.08.021","","x-ray","0.7","synchrotron","","0.062","0.0431","","","0.1161","0.1253","","","","","","1.011","","","","has coordinates","262385","2021-03-03","08:49:56",""
"1560776","20.773","0.003","25.663","0.003","15.0254","0.0019","90","","97.565","0.01","90","","7940.3","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 F8 N16 O4 W2 -","- C24 H32 Cu2 F8 N16 O4 W2 -","- C192 H256 Cu16 F64 N128 O32 W16 -","8","1","","Belal Ahmed; Hongil Jo; Sung Won Yoon; Kwang Yong Choi; Kang Min Ok","A series of oxyfluoride chains containing asymmetric basic building units of both early- and late-transition metal cations","Journal of Solid State Chemistry","2018","267","","140","145","10.1016/j.jssc.2018.08.021","","","0.71073","MoKα","","0.0616","0.0373","","","0.072","0.0814","","","","","","1.032","","","","has coordinates,has disorder","262385","2021-03-03","08:49:57",""
"1560777","20.5906","0.0003","24.4913","0.0003","15.3667","0.0002","90","","96.409","0.001","90","","7700.85","0.18","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 F8 Mo2 N16 Ni2 O4 -","- C24 H32 F8 Mo2 N16 Ni2 O4 -","- C192 H256 F64 Mo16 N128 Ni16 O32 -","8","1","","Belal Ahmed; Hongil Jo; Sung Won Yoon; Kwang Yong Choi; Kang Min Ok","A series of oxyfluoride chains containing asymmetric basic building units of both early- and late-transition metal cations","Journal of Solid State Chemistry","2018","267","","140","145","10.1016/j.jssc.2018.08.021","","","0.71073","MoKα","","0.0767","0.0568","","","0.1202","0.1281","","","","","","1.206","","","","has coordinates,has disorder","262385","2021-03-03","08:49:57",""
"1560778","10.239","0.003","12.29","0.003","15.44","0.004","90","","96.61","0.02","90","","1930","0.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F4 N8 Ni O2 W -","- C12 H16 F4 N8 Ni O2 W -","- C48 H64 F16 N32 Ni4 O8 W4 -","4","0.5","","Belal Ahmed; Hongil Jo; Sung Won Yoon; Kwang Yong Choi; Kang Min Ok","A series of oxyfluoride chains containing asymmetric basic building units of both early- and late-transition metal cations","Journal of Solid State Chemistry","2018","267","","140","145","10.1016/j.jssc.2018.08.021","","","0.71073","MoKα","","0.0416","0.0303","","","0.069","0.0755","","","","","","1.065","","","","has coordinates","262385","2021-03-03","08:49:57",""
"1560779","9.6342","0.0003","12.8306","0.0006","16.6704","0.0007","105.553","0.004","95.871","0.003","96.894","0.003","1951.28","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Eu(IA)3(H2O)2]nn(Hg3Cl9).4nH2O","'[Eu(IA)3(H2O)2]nn(Hg3Cl9).4nH2O'","","- C18 H27 Cl9 Eu Hg3 N3 O12 -","- C18 H21 Cl9 Eu Hg3 N3 O12 -","- C36 H42 Cl18 Eu2 Hg6 N6 O24 -","2","1","","Yi, Xiu-Guang; Zhang, Zhuan-Xia; Chen, Wen-Tong; Lin, Long-Zhen; Chen, Hua-Long","Photoluminescence and semiconductor properties of two novel lanthanide-mercury compounds with one-dimensional chain-like structures","Journal of Solid State Chemistry","2018","266","","16","22","10.1016/j.jssc.2018.07.004","","","0.71073","MoKα","","0.0416","0.0323","","","0.0682","0.0724","","","","","","1.004","","","","has coordinates","262386","2021-03-03","09:11:41",""
"1560780","9.5995","0.0003","12.8103","0.0005","16.6739","0.0008","105.588","0.004","95.691","0.003","96.945","0.003","1941.85","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Tb(IA)3(H2O)2]nn(Hg3Cl9).4nH2O","'[Tb(IA)3(H2O)2]nn(Hg3Cl9).4nH2O'","","- C18 H27 Cl9 Hg3 N3 O12 Tb -","- C18 H23 Cl9 Hg3 N3 O12 Tb -","- C36 H46 Cl18 Hg6 N6 O24 Tb2 -","2","1","","Yi, Xiu-Guang; Zhang, Zhuan-Xia; Chen, Wen-Tong; Lin, Long-Zhen; Chen, Hua-Long","Photoluminescence and semiconductor properties of two novel lanthanide-mercury compounds with one-dimensional chain-like structures","Journal of Solid State Chemistry","2018","266","","16","22","10.1016/j.jssc.2018.07.004","","","0.71073","MoKα","","0.0433","0.033","","","0.0647","0.0685","","","","","","1.003","","","","has coordinates","262386","2021-03-03","09:11:44",""
"1560781","20.0114","0.0015","24.6279","0.0019","28.424","0.002","90","","90","","90","","14008.4","1.8","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H152 Cd8 N24 O32 -","- C136 H152 Cd8 N24 O32 -","- C544 H608 Cd32 N96 O128 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.1326","0.0688","","","0.1494","0.1852","","","","","","1.028","","","","has coordinates,has disorder","262387","2021-03-03","09:40:48",""
"1560782","9.36","0.0008","13.345","0.0011","13.9766","0.0012","90","","90","","90","","1745.8","0.3","173","2","173.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H19 N3 O4 Zn -","- C17 H19 N3 O4 Zn -","- C68 H76 N12 O16 Zn4 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.053","0.0441","","","0.1128","0.1198","","","","","","1.048","","","","has coordinates","262388","2021-03-03","09:42:43",""
"1560783","15.537","0.003","10.105","0.003","11.158","0.003","90","","99.111","0.004","90","","1729.7","0.8","173","2","173.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H19 N3 O4 Zn -","- C17 H19 N3 O4 Zn -","- C68 H76 N12 O16 Zn4 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.0467","0.041","","","0.0942","0.0972","","","","","","1.077","","","","has coordinates","262389","2021-03-03","09:44:44",""
"1560784","47.393","0.004","8.9045","0.0008","17.3687","0.0015","90","","110.34","0.001","90","","6872.7","1","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 N6 O8 Zn2 -","- C34 H38 N6 O8 Zn2 -","- C272 H304 N48 O64 Zn16 -","8","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.065","0.0429","","","0.0969","0.1047","","","","","","1.054","","","","has coordinates,has disorder","262390","2021-03-03","09:46:24",""
"1560785","7.3754","0.0005","22.6023","0.0014","6.9634","0.0005","90","","109.144","0.005","90","","1096.61","0.13","","","","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[aqua(<i>m</i>~2~-1<i>-H</i>-imidazole-4-carboxylato- k^3^<i>N,O:O </i>' )(1<i>-H</i>-imidazole-4-carboxylato-k^2^<i>N,O </i>)lead(II)]","","- C8 H8 N4 O5 Pb -","- C8 H8 N4 O5 Pb -","- C32 H32 N16 O20 Pb4 -","4","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Khavryuchenko, Oleksiy V.; Kupcewicz, Bogumiła; Barszcz, Barbara","Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties","Journal of Solid State Chemistry","2018","266","","100","111","10.1016/j.jssc.2018.07.012","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","262391","2021-03-03","10:05:33",""
"1560786","11.0302","0.0005","23.6286","0.0007","8.6039","0.0003","90","","110.274","0.003","90","","2103.49","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-[bis(μ~2~-1<i>H</i>-pyrazole-3-carboxylato-κ^4^N,O:O,O')(μ~2~-\ 1<i>H</i>-pyrazole-3-carboxylato-κ^3^N,O:O')(μ~2~-1<i>H</i>-pyrazole-3-\ carboxylato-κ^4^O,O':O',N)bislead(II)]","","- C16 H12 N8 O8 Pb2 -","- C16 H12 N8 O8 Pb2 -","- C64 H48 N32 O32 Pb8 -","4","1","","Kowalik, Mateusz; Masternak, Joanna; Kazimierczuk, Katarzyna; Khavryuchenko, Oleksiy V.; Kupcewicz, Bogumiła; Barszcz, Barbara","Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties","Journal of Solid State Chemistry","2018","266","","100","111","10.1016/j.jssc.2018.07.012","","x-ray","0.71073","MoKα","","0.0319","0.0285","","","0.0788","0.086","","","","","","1.097","","","","has coordinates","262391","2021-03-03","10:05:34",""
"1560787","11.7916","0.0005","5.31798","0.00014","9.7806","0.0007","90","","127.014","0.006","90","","489.73","0.06","295","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","nickel oxalate dihydrate","catena-poly[[diaquanickel(II)]-mu-oxalato}","","- C2 H4 Ni O6 -","- C2 H4 Ni O6 -","- C8 H16 Ni4 O24 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure transformations in nickel oxalate dihydrate NiC2O4·2H2O and nickel formate dihydrate Ni(HCO2)2·2H2O during thermal decomposition","Journal of Solid State Chemistry","2018","266","","133","142","10.1016/j.jssc.2018.07.005","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0451","","","","","","","","has coordinates","262392","2021-03-03","10:14:13",""
"1560788","5.8294","0.0009","5.1685","0.0013","5.2712","0.0004","90","","117.793","0.012","90","","140.5","0.05","295","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","nickel oxalate","catena-((μ~6~-oxalato)-(μ~4~-oxalato)-di-nickel)","","- C2 Ni O4 -","- C Ni0.5 O2 -","- C4 Ni2 O8 -","4","1","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure transformations in nickel oxalate dihydrate NiC2O4·2H2O and nickel formate dihydrate Ni(HCO2)2·2H2O during thermal decomposition","Journal of Solid State Chemistry","2018","266","","133","142","10.1016/j.jssc.2018.07.005","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0083","","","","","","","","has coordinates","262392","2021-03-03","10:14:14",""
"1560789","19.7884","0.0007","13.7683","0.0005","21.6278","0.0007","90","","97.106","0.001","90","","5847.3","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 N2 O18.5 Zn3 -","- C23 H29 N2 O18.5 Zn3 -","- C184 H232 N16 O148 Zn24 -","8","1","","Wen, Huiliang; Gong, Yunnan; Lai, Bowen; Liu, Zhifeng; Xiong, Zhiqiang; Liu, Chongbo","Three microporous Zn coordination polymers constructed by 3,4,5-tris(carboxymethoxy)benzoic acid and 4,4′-bipyrdine: Structures, topologies, and luminescence","Journal of Solid State Chemistry","2018","266","","143","149","10.1016/j.jssc.2018.06.024","","","0.71073","MoKα","","0.0714","0.0389","","","0.0725","0.0875","","","","","","1.018","","","","has coordinates,has disorder","262393","2021-03-03","10:19:09",""
"1560790","11.788","0.0016","11.8585","0.0016","14.0352","0.0019","72.571","0.002","76.085","0.002","70.407","0.002","1742","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N3 O18 Zn3 -","- C28 H33 N3 O18 Zn3 -","- C56 H66 N6 O36 Zn6 -","2","1","","Wen, Huiliang; Gong, Yunnan; Lai, Bowen; Liu, Zhifeng; Xiong, Zhiqiang; Liu, Chongbo","Three microporous Zn coordination polymers constructed by 3,4,5-tris(carboxymethoxy)benzoic acid and 4,4′-bipyrdine: Structures, topologies, and luminescence","Journal of Solid State Chemistry","2018","266","","143","149","10.1016/j.jssc.2018.06.024","","","0.71073","MoKα","","0.0922","0.0496","","","0.1127","0.1346","","","","","","0.965","","","","has coordinates","262393","2021-03-03","10:19:10",""
"1560791","36.709","0.006","14.468","0.002","22.856","0.004","90","","90","","90","","12139","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C46 H70 N4 O41 Zn4 -","- C46 H70 N4 O41 Zn4 -","- C368 H560 N32 O328 Zn32 -","8","1","","Wen, Huiliang; Gong, Yunnan; Lai, Bowen; Liu, Zhifeng; Xiong, Zhiqiang; Liu, Chongbo","Three microporous Zn coordination polymers constructed by 3,4,5-tris(carboxymethoxy)benzoic acid and 4,4′-bipyrdine: Structures, topologies, and luminescence","Journal of Solid State Chemistry","2018","266","","143","149","10.1016/j.jssc.2018.06.024","","","0.71073","MoKα","","0.1207","0.0485","","","0.089","0.12","","","","","","0.991","","","","has coordinates","262393","2021-03-03","10:19:10",""
"1560792","18.517","0.004","19.037","0.004","13.011","0.003","90","","90","","90","","4586.5","1.7","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Li2 O12 P4 Rb2 -","- Li2 O12 P4 Rb2 -","- Li32 O192 P64 Rb32 -","16","1","","Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie","Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties","Journal of Solid State Chemistry","2018","266","","150","154","10.1016/j.jssc.2018.07.015","","","0.71073","MoKα","","0.0555","0.0387","","","0.0716","0.0791","","","","","","0.915","","","","has coordinates","262394","2021-03-03","10:24:30",""
"1560793","19.009","0.013","19.402","0.013","13.18","0.009","90","","90","","90","","4861","6","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Cs2 Li2 O12 P4 -","- Cs2 Li2 O12 P4 -","- Cs32 Li32 O192 P64 -","16","1","","Baiheti, Tuohetijiang; Li, Hao; Yang, Zhihua; Han, Shujuan; Wang, Ying; Pan, Shilie","Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties","Journal of Solid State Chemistry","2018","266","","150","154","10.1016/j.jssc.2018.07.015","","","0.71073","MoKα","","0.0721","0.0602","","","0.1477","0.156","","","","","","1.056","","","","has coordinates","262394","2021-03-03","10:24:31",""
"1560794","9.23614","0.00022","5.00555","0.00013","8.08948","0.00024","90","","92.8146","0.0014","90","","373.541","0.017","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Barium cobalt phosphate","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba2 Co4 O16 P4 -","2","0.5","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.11852","","1.82","","","","","","","has coordinates","262395","2021-03-03","10:33:11",""
"1560795","5.00019","0.00006","5.00019","","22.5894","0.00035","90","","90","","120","","489.112","0.01","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba Co2 O8 P0.8 V1.2 -","- Ba Co2 O8 P0.8 V1.2 -","- Ba3 Co6 O24 P2.4 V3.6 -","3","0.166667","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.04859","","1.12","","","","","","","has coordinates","262396","2021-03-03","10:34:37",""
"1560796","12.45181","0.00009","12.45181","","8.41844","0.00007","90","","90","","90","","1305.26","0.014","298","2","298","","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba Co2 O8 V2 -","- Ba Co2 O8 V2 -","- Ba8 Co16 O64 V16 -","8","0.25","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.0611","","1.14","","","","","","","has coordinates","262397","2021-03-03","10:35:46",""
"1560797","4.97","0.00008","4.97","","22.7015","0.0005","90","","90","","120","","485.622","0.013","298","2","298","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba Co2 O8 P V -","- Ba Co2 O8 P V -","- Ba3 Co6 O24 P3 V3 -","3","0.166667","","Zhuravlev, V.D.; Kellerman, D.G.; Tyutyunnik, A.P.; Chufarov, A.Yu.; Samigullina, R.F.","Synthesis, structure and magnetic properties of new γ-Ba(CoV1-xPxO4)2 x = 0.4‒0.5","Journal of Solid State Chemistry","2018","266","","174","180","10.1016/j.jssc.2018.07.017","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.10277","","1.23","","","","","","","has coordinates","262398","2021-03-03","10:37:13",""
"1560798","10.3259","0.0004","12.6968","0.0005","16.792","0.0007","103.922","0.001","101.144","0.001","109.562","0.001","1921.15","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H60 N12 Ni3 O24 -","- C82 H60 N12 Ni3 O24 -","- C82 H60 N12 Ni3 O24 -","1","0.5","","Fan, Liming; Zhao, Li; Wang, Jiang; Lv, Hongxiao; Zhang, Yujuan; Hu, Tuoping; Zhang, Xiutang","Aromatic 3,5-Di(2′,4′-dicarboxylphenyl)benozoic acid based coordination polymers as luminescent sensor for the sensitive detection of chromate anions in aqueous solution","Journal of Solid State Chemistry","2018","266","","189","195","10.1016/j.jssc.2018.07.021","","","0.71073","MoKα","","0.044","0.0375","","","0.101","0.1047","","","","","","1.08","","","","has coordinates,has Fobs","262399","2021-03-03","10:44:24",""
"1560799","28.1775","0.0011","14.0057","0.0005","25.8912","0.0014","90","","122.157","0.001","90","","8650.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H29 N6 O12 Pb2 -","- C41 H29 N6 O12 Pb2 -","- C328 H232 N48 O96 Pb16 -","8","1","","Fan, Liming; Zhao, Li; Wang, Jiang; Lv, Hongxiao; Zhang, Yujuan; Hu, Tuoping; Zhang, Xiutang","Aromatic 3,5-Di(2′,4′-dicarboxylphenyl)benozoic acid based coordination polymers as luminescent sensor for the sensitive detection of chromate anions in aqueous solution","Journal of Solid State Chemistry","2018","266","","189","195","10.1016/j.jssc.2018.07.021","","","0.71073","MoKα","","0.1048","0.0975","","","0.2582","0.2785","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","262400","2021-03-03","10:46:10",""
"1560817","8.7174","0.0017","8.881","0.0018","12.915","0.003","90","","90.58","0.03","90","","999.8","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0266","0.0263","","","0.0681","0.0686","","","","","","1.13","","","","has coordinates,has Fobs","262739","2021-03-05","09:54:09",""
"1560818","8.717","0.002","8.881","0.002","12.914","0.003","90","","90.561","0.003","90","","999.7","0.4","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.026","0.026","","","0.067","0.0671","","","","","","1.153","","","","has coordinates,has Fobs","262740","2021-03-05","09:59:48",""
"1560819","8.72","0.004","8.882","0.004","12.907","0.005","90","","90.505","0.005","90","","999.6","0.8","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0291","0.0286","","","0.074","0.0742","","","","","","1.179","","","","has coordinates,has Fobs","262741","2021-03-05","10:07:50",""
"1560820","8.719","0.002","8.885","0.002","12.914","0.003","90","","90.526","0.003","90","","1000.4","0.4","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0261","0.0261","","","0.0676","0.0679","","","","","","1.159","","","","has coordinates,has Fobs","262742","2021-03-05","10:09:52",""
"1560821","8.723","0.004","8.882","0.004","12.912","0.005","90","","90.507","0.005","90","","1000.4","0.8","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0294","0.0289","","","0.0768","0.0769","","","","","","1.181","","","","has coordinates,has Fobs","262743","2021-03-05","10:11:42",""
"1560822","8.717","0.002","8.884","0.002","12.912","0.003","90","","90.517","0.003","90","","999.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0269","0.0268","","","0.0732","0.0733","","","","","","1.162","","","","has coordinates,has Fobs","262744","2021-03-05","10:13:50",""
"1560823","8.717","0.002","8.884","0.002","12.911","0.003","90","","90.518","0.003","90","","999.8","0.4","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0278","0.0276","","","0.0714","0.0717","","","","","","1.171","","","","has coordinates,has Fobs","262745","2021-03-05","10:17:42",""
"1560824","8.72","0.002","8.884","0.002","12.914","0.003","90","","90.556","0.004","90","","1000.4","0.4","165","2","165","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0306","0.0305","","","0.0808","0.0811","","","","","","1.157","","","","has coordinates,has Fobs","262746","2021-03-05","10:25:19",""
"1560825","8.717","0.002","8.886","0.002","12.911","0.003","90","","90.51","0.003","90","","1000","0.4","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0294","0.0293","","","0.0786","0.0786","","","","","","1.156","","","","has coordinates,has Fobs","262747","2021-03-05","10:26:51",""
"1560826","8.717","0.002","8.887","0.002","12.911","0.003","90","","90.507","0.003","90","","1000.1","0.4","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0298","0.0298","","","0.0789","0.0789","","","","","","1.131","","","","has coordinates,has Fobs","262748","2021-03-05","10:29:14",""
"1560827","8.72","0.002","8.89","0.002","12.914","0.003","90","","90.508","0.003","90","","1001.1","0.4","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0282","0.0282","","","0.0748","0.0749","","","","","","1.157","","","","has coordinates,has Fobs","262749","2021-03-05","10:31:24",""
"1560828","8.72","0.002","8.889","0.002","12.912","0.003","90","","90.517","0.004","90","","1000.8","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0284","0.0282","","","0.0729","0.073","","","","","","1.161","","","","has coordinates,has Fobs","262750","2021-03-05","10:33:27",""
"1560829","8.723","0.002","8.889","0.003","12.925","0.004","90","","90.546","0.005","90","","1002.1","0.5","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0287","0.0287","","","0.0769","0.0769","","","","","","1.149","","","","has coordinates,has Fobs","262751","2021-03-05","10:35:23",""
"1560830","8.72","0.003","8.888","0.003","12.91","0.004","90","","90.564","0.005","90","","1000.5","0.6","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0274","0.0271","","","0.0708","0.0713","","","","","","1.147","","","","has coordinates,has Fobs","262752","2021-03-05","10:38:01",""
"1560831","8.724","0.002","8.894","0.002","12.925","0.004","90","","90.546","0.004","90","","1002.8","0.4","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0294","0.0293","","","0.0752","0.0752","","","","","","1.173","","","","has coordinates,has Fobs","262753","2021-03-05","10:40:54",""
"1560832","8.724","0.003","8.89","0.003","12.913","0.005","90","","90.546","0.005","90","","1001.4","0.6","240","2","240","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.031","0.0309","","","0.082","0.0821","","","","","","1.142","","","","has coordinates,has Fobs","262754","2021-03-05","10:43:27",""
"1560833","8.724","0.003","8.891","0.003","12.912","0.005","90","","90.541","0.005","90","","1001.5","0.6","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0332","0.0331","","","0.0891","0.0891","","","","","","1.145","","","","has coordinates,has Fobs","262755","2021-03-05","10:45:35",""
"1560834","8.72","0.004","8.89","0.004","12.907","0.006","90","","90.55","0.007","90","","1000.5","0.8","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0391","0.039","","","0.1077","0.1078","","","","","","1.135","","","","has coordinates,has Fobs","262756","2021-03-05","10:47:56",""
"1560835","8.73","0.005","8.903","0.005","12.937","0.008","90","","90.514","0.008","90","","1005.5","1","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.046","0.0459","","","0.1269","0.1269","","","","","","1.123","","","","has coordinates,has Fobs","262757","2021-03-05","10:49:59",""
"1560836","8.735","0.008","8.904","0.008","12.943","0.014","90","","90.485","0.017","90","","1006.6","1.7","280","2","280","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0499","0.0498","","","0.1387","0.1388","","","","","","1.106","","","","has coordinates,has Fobs","262758","2021-03-05","10:54:17",""
"1560865","8.735","0.009","8.884","0.009","12.929","0.012","90","","90.38","0.02","90","","1003.3","1.7","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0494","0.0493","","","0.1356","0.1356","","","","","","1.108","","","","has coordinates,has Fobs","262798","2021-03-06","10:15:24",""
"1560866","8.736","0.006","8.885","0.007","12.939","0.009","90","","90.43","0.02","90","","1004.3","1.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0469","0.0468","","","0.1276","0.1279","","","","","","1.112","","","","has coordinates,has Fobs","262799","2021-03-06","10:17:45",""
"1560867","8.729","0.0017","8.907","0.0018","12.933","0.003","90","","90.4","0.03","90","","1005.5","0.4","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0293","0.029","","","0.0771","0.0779","","","","","","1.149","","","","has coordinates,has Fobs","262800","2021-03-06","10:20:12",""
"1560868","8.728","0.0017","8.908","0.0018","12.935","0.003","90","","90.33","0.03","90","","1005.7","0.4","310","2","310","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0467","0.0463","","","0.1282","0.1288","","","","","","1.1","","","","has coordinates","262801","2021-03-06","10:21:22",""
"1560869","8.746","0.0017","8.921","0.0018","12.938","0.003","90","","90.5","0.03","90","","1009.4","0.4","320","2","320","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0508","0.0501","","","0.1377","0.1388","","","","","","1.093","","","","has coordinates,has Fobs","262802","2021-03-06","10:25:26",""
"1560870","8.729","0.006","8.884","0.007","12.921","0.009","90","","90.197","0.01","90","","1002","1.3","320","2","320","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0341","0.034","","","0.0944","0.0945","","","","","","1.133","","","","has coordinates,has Fobs","262803","2021-03-06","10:27:20",""
"1560871","8.727","0.0017","8.92","0.0018","12.949","0.003","90","","90.24","0.03","90","","1008","0.4","330","2","330","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0421","0.0418","","","0.1158","0.1164","","","","","","1.105","","","","has coordinates,has Fobs","262804","2021-03-06","10:28:52",""
"1560872","12.909","0.003","8.759","0.0018","8.888","0.0018","90","","90","","90","","1005","0.4","340","2","340","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0667","0.0618","","","0.1699","0.1728","","","","","","1.125","","","","has coordinates,has Fobs","262805","2021-03-06","10:32:35",""
"1560873","8.751","0.007","8.878","0.007","12.897","0.011","90","","90.183","0.011","90","","1002","1.4","340","2","340","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.057","0.0569","","","0.1579","0.1586","","","","","","1.116","","","","has coordinates,has Fobs","262806","2021-03-06","10:34:34",""
"1560874","12.925","0.003","8.736","0.0017","8.886","0.0018","90","","90","","90","","1003.3","0.4","340","2","340","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0639","0.0612","","","0.1655","0.1673","","","","","","1.121","","","","has coordinates,has Fobs","262807","2021-03-06","10:36:29",""
"1560875","8.72","0.0017","8.93","0.0018","12.94","0.003","90","","90.32","0.03","90","","1007.6","0.4","340","2","340","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0419","0.0414","","","0.1204","0.1212","","","","","","1.124","","","","has coordinates,has Fobs","262808","2021-03-06","10:38:10",""
"1560876","12.969","0.003","8.727","0.0017","8.922","0.0018","90","","90","","90","","1009.8","0.4","350","2","350","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0609","0.0568","","","0.1563","0.1585","","","","","","1.143","","","","has coordinates,has Fobs","262809","2021-03-06","10:39:39",""
"1560877","8.727","0.0017","8.922","0.0018","12.969","0.003","90","","90.05","0.03","90","","1009.8","0.4","350","2","350","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0471","0.0467","","","0.1288","0.1297","","","","","","1.128","","","","has coordinates,has Fobs","262810","2021-03-06","10:41:03",""
"1560878","8.716","0.0017","8.916","0.0018","12.944","0.003","90","","90.11","0.03","90","","1005.9","0.4","350","2","350","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.037","0.0367","","","0.0998","0.1","","","","","","1.132","","","","has coordinates,has Fobs","262811","2021-03-06","10:42:47",""
"1560879","12.944","0.003","8.716","0.0017","8.916","0.0018","90","","90","","90","","1005.9","0.4","350","2","350","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0506","0.0472","","","0.1315","0.1332","","","","","","1.196","","","","has coordinates,has Fobs","262812","2021-03-06","10:44:33",""
"1560880","12.991","0.003","8.741","0.0017","8.938","0.0018","90","","90","","90","","1014.9","0.4","360","2","360","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0545","0.0507","","","0.1327","0.1347","","","","","","1.162","","","","has coordinates,has Fobs","262813","2021-03-06","10:46:01",""
"1560881","8.741","0.0017","8.938","0.0018","12.991","0.003","90","","90","0.03","90","","1014.9","0.4","360","2","360","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0465","0.0459","","","0.1295","0.1304","","","","","","1.114","","","","has coordinates,has Fobs","262814","2021-03-06","10:48:22",""
"1560882","8.723","0.0017","8.921","0.0018","12.958","0.003","90","","90.03","0.03","90","","1008.4","0.4","360","2","360","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.041","0.0405","","","0.1124","0.1132","","","","","","1.114","","","","has coordinates,has Fobs","262815","2021-03-06","10:50:06",""
"1560883","12.958","0.003","8.723","0.0017","8.921","0.0018","90","","90","","90","","1008.4","0.4","360","2","360","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0513","0.0476","","","0.1245","0.1263","","","","","","1.167","","","","has coordinates,has Fobs","262816","2021-03-06","10:51:45",""
"1560884","12.998","0.003","8.743","0.0017","8.944","0.0018","90","","90","","90","","1016.4","0.4","370","2","370","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0508","0.0472","","","0.1262","0.1282","","","","","","1.155","","","","has coordinates,has Fobs","262817","2021-03-06","10:53:36",""
"1560885","8.743","0.0017","8.944","0.0018","12.998","0.003","90","","90","0.03","90","","1016.4","0.4","370","2","370","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.044","0.0432","","","0.1186","0.1195","","","","","","1.162","","","","has coordinates,has Fobs","262818","2021-03-06","10:55:05",""
"1560886","8.718","0.0017","8.9242","0.0018","12.961","0.003","90","","90","0.03","90","","1008.4","0.4","370","2","370","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0388","0.0383","","","0.1082","0.1089","","","","","","1.129","","","","has coordinates,has Fobs","262823","2021-03-08","08:14:28",""
"1560887","12.961","0.003","8.718","0.0017","8.9242","0.0018","90","","90","","90","","1008.4","0.4","370","2","370","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0497","0.0459","","","0.1294","0.1318","","","","","","1.155","","","","has coordinates,has Fobs","262824","2021-03-08","08:16:35",""
"1560888","12.979","0.003","8.75","0.0017","8.924","0.0018","90","","90","","90","","1013.5","0.4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0447","0.0418","","","0.1122","0.1137","","","","","","1.184","","","","has coordinates,has Fobs","262825","2021-03-08","08:18:30",""
"1560889","8.75","0.0017","8.924","0.0018","12.979","0.003","90","","90","0.03","90","","1013.5","0.4","380","2","380","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0411","0.0404","","","0.1149","0.1157","","","","","","1.148","","","","has coordinates,has Fobs","262826","2021-03-08","08:21:07",""
"1560890","8.716","0.0017","8.927","0.0018","12.962","0.003","90","","90.01","0.03","90","","1008.5","0.4","380","2","380","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0399","0.0393","","","0.109","0.1097","","","","","","1.111","","","","has coordinates,has Fobs","262827","2021-03-08","08:22:37",""
"1560891","12.962","0.003","8.716","0.0017","8.927","0.0018","90","","90","","90","","1008.5","0.4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0483","0.0454","","","0.1196","0.1213","","","","","","1.182","","","","has coordinates,has Fobs","262828","2021-03-08","08:24:15",""
"1560892","13.003","0.003","8.737","0.0017","8.945","0.0018","90","","90","","90","","1016.2","0.4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0475","0.0449","","","0.1177","0.1192","","","","","","1.175","","","","has coordinates,has Fobs","262829","2021-03-08","08:26:01",""
"1560893","8.737","0.0017","8.945","0.0018","13.003","0.003","90","","90","0.03","90","","1016.2","0.4","390","2","390","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0425","0.0419","","","0.1158","0.1166","","","","","","1.126","","","","has coordinates,has Fobs","262830","2021-03-08","08:27:38",""
"1560894","12.962","0.003","8.71","0.0017","8.927","0.0018","90","","90","","90","","1007.8","0.4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0448","0.0439","","","0.1086","0.1092","","","","","","1.12","","","","has coordinates,has Fobs","262831","2021-03-08","08:29:49",""
"1560895","8.71","0.0017","8.927","0.0018","12.962","0.003","90","","90","0.03","90","","1007.8","0.4","390","2","390","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0382","0.0379","","","0.1038","0.1042","","","","","","1.141","","","","has coordinates,has Fobs","262832","2021-03-08","08:32:05",""
"1560896","12.898","0.003","8.765","0.0018","8.908","0.0018","90","","90","","90","","1007.1","0.4","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0604","0.057","","","0.1594","0.1613","","","","","","1.159","","","","has coordinates,has Fobs","262833","2021-03-08","08:34:15",""
"1560897","8.765","0.0018","8.908","0.0018","12.898","0.003","90","","90","0.03","90","","1007.1","0.4","400","2","400","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0592","0.0583","","","0.1684","0.1687","","","","","","1.092","","","","has coordinates,has Fobs","262834","2021-03-08","08:36:26",""
"1560898","12.989","0.003","8.727","0.0017","8.944","0.0018","90","","90","","90","","1013.8","0.4","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0402","0.039","","","0.0975","0.0984","","","","","","1.096","","","","has coordinates,has Fobs","262835","2021-03-08","08:41:16",""
"1560899","8.727","0.0017","8.944","0.0018","12.989","0.003","90","","90","0.03","90","","1013.8","0.4","400","2","400","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0371","0.0367","","","0.1015","0.1019","","","","","","1.114","","","","has coordinates,has Fobs","262836","2021-03-08","08:43:48",""
"1560900","13.064","0.003","8.7705","0.0018","8.9925","0.0018","90","","90","","90","","1030.3","0.4","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0373","0.0365","","","0.0938","0.0943","","","","","","1.139","","","","has coordinates,has Fobs","262839","2021-03-08","08:45:48",""
"1560901","8.7705","0.0018","8.9925","0.0018","13.064","0.003","90","","90","0.03","90","","1030.3","0.4","410","2","410","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0364","0.0357","","","0.0953","0.0959","","","","","","1.119","","","","has coordinates,has Fobs","262840","2021-03-08","08:47:51",""
"1560902","8.739","0.0017","8.965","0.0018","13.009","0.003","90","","90","0.03","90","","1019.2","0.4","410","2","410","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0369","0.0362","","","0.0995","0.1003","","","","","","1.13","","","","has coordinates,has Fobs","262841","2021-03-08","08:49:26",""
"1560903","13.009","0.003","8.739","0.0017","8.965","0.0018","90","","90","","90","","1019.2","0.4","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0395","0.0386","","","0.1017","0.1023","","","","","","1.171","","","","has coordinates,has Fobs","262842","2021-03-08","08:51:46",""
"1560904","12.988","0.003","8.713","0.0017","8.939","0.0018","90","","90","","90","","1011.6","0.4","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0329","0.0325","","","0.0802","0.0806","","","","","","1.24","","","","has coordinates,has Fobs","262843","2021-03-08","08:54:19",""
"1560905","8.713","0.0017","8.939","0.0018","12.988","0.003","90","","90","0.03","90","","1011.6","0.4","420","2","420","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0339","0.0333","","","0.0894","0.0899","","","","","","1.158","","","","has coordinates,has Fobs","262844","2021-03-08","09:05:33",""
"1560906","8.726","0.0017","8.951","0.0018","13.004","0.003","90","","90","0.03","90","","1015.7","0.4","420","2","420","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0336","0.0331","","","0.0918","0.0923","","","","","","1.137","","","","has coordinates,has Fobs","262846","2021-03-08","09:16:35",""
"1560907","13.004","0.003","8.726","0.0017","8.951","0.0018","90","","90","","90","","1015.7","0.4","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0322","0.0317","","","0.0848","0.0851","","","","","","1.232","","","","has coordinates,has Fobs","262847","2021-03-08","09:18:42",""
"1560908","13.009","0.003","8.72","0.0017","8.954","0.0018","90","","90","","90","","1015.7","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0309","0.0307","","","0.0781","0.0784","","","","","","1.185","","","","has coordinates,has Fobs","262849","2021-03-08","09:20:34",""
"1560909","8.72","0.0017","8.954","0.0018","13.009","0.003","90","","90","0.03","90","","1015.7","0.4","430","2","430","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0338","0.0331","","","0.0904","0.0914","","","","","","1.068","","","","has coordinates,has Fobs","262851","2021-03-08","09:22:19",""
"1560910","12.98","0.003","8.712","0.0017","8.936","0.0018","90","","90","","90","","1010.5","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0303","0.0299","","","0.0819","0.0822","","","","","","1.242","","","","has coordinates,has Fobs","262852","2021-03-08","09:24:17",""
"1560911","8.712","0.0017","8.936","0.0018","12.98","0.003","90","","90","0.03","90","","1010.5","0.4","430","2","430","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0315","0.0309","","","0.083","0.0836","","","","","","1.094","","","","has coordinates,has Fobs","262853","2021-03-08","09:25:54",""
"1560912","8.788","0.0018","8.905","0.0018","12.87","0.003","90","","90","0.03","90","","1007.2","0.4","440","2","440","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0413","0.0408","","","0.1145","0.1154","","","","","","1.068","","","","has coordinates,has Fobs","262854","2021-03-08","09:27:45",""
"1560913","12.86","0.003","8.782","0.0018","8.9","0.0018","90","","90","","90","","1005.1","0.4","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0377","0.0374","","","0.101","0.1012","","","","","","1.146","","","","has coordinates,has Fobs","262855","2021-03-08","09:29:34",""
"1560914","8.74","0.0017","8.986","0.0018","13.04","0.003","90","","90","0.03","90","","1024.1","0.4","440","2","440","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0291","0.029","","","0.0773","0.0774","","","","","","1.13","","","","has coordinates,has Fobs","262856","2021-03-08","09:31:10",""
"1560915","13.016","0.003","8.722","0.0017","8.969","0.0018","90","","90","","90","","1018.2","0.4","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0284","0.028","","","0.0761","0.0763","","","","","","1.209","","","","has coordinates","262857","2021-03-08","09:32:57",""
"1560916","8.791","0.0018","8.911","0.0018","12.87","0.003","90","","90","0.03","90","","1008.2","0.4","450","2","450","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0382","0.0379","","","0.1032","0.1037","","","","","","1.072","","","","has coordinates,has Fobs","262858","2021-03-08","09:34:36",""
"1560917","12.86","0.003","8.788","0.0018","8.907","0.0018","90","","90","","90","","1006.6","0.4","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.035","0.0347","","","0.0973","0.0977","","","","","","1.14","","","","has coordinates,has Fobs","262859","2021-03-08","09:36:33",""
"1560918","13","0.003","8.708","0.0017","8.959","0.0018","90","","90","","90","","1014.2","0.4","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0274","0.0273","","","0.0742","0.0743","","","","","","1.232","","","","has coordinates,has Fobs","262860","2021-03-08","09:38:19",""
"1560919","8.708","0.0017","8.959","0.0018","13","0.003","90","","90","0.03","90","","1014.2","0.4","450","2","450","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0287","0.0282","","","0.076","0.0765","","","","","","1.098","","","","has coordinates,has Fobs","262862","2021-03-08","09:40:20",""
"1560920","8.73","0.0017","8.99","0.0018","13.04","0.003","90","","90","0.03","90","","1023.4","0.4","460","2","460","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0291","0.0286","","","0.0765","0.0771","","","","","","1.078","","","","has coordinates,has Fobs","262863","2021-03-08","09:42:08",""
"1560921","13","0.003","8.704","0.0017","8.956","0.0018","90","","90","","90","","1013.4","0.4","460","2","460","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0253","0.0252","","","0.0663","0.0664","","","","","","1.225","","","","has coordinates,has Fobs","262864","2021-03-08","09:44:00",""
"1560922","12.98","0.003","8.698","0.0017","8.948","0.0018","90","","90","","90","","1010.2","0.4","460","2","460","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0254","0.0253","","","0.0665","0.0666","","","","","","1.227","","","","has coordinates,has Fobs","262865","2021-03-08","09:45:42",""
"1560923","8.698","0.0017","8.948","0.0018","12.98","0.003","90","","90","0.03","90","","1010.2","0.4","460","2","460","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0258","0.0253","","","0.0655","0.066","","","","","","1.111","","","","has coordinates,has Fobs","262866","2021-03-08","09:47:37",""
"1560924","13.01","0.003","8.703","0.0017","8.96","0.0018","90","","90","","90","","1014.5","0.4","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0249","0.0248","","","0.0674","0.0675","","","","","","1.231","","","","has coordinates,has Fobs","262867","2021-03-08","09:49:11",""
"1560925","8.703","0.0017","8.96","0.0018","13.01","0.003","90","","90","0.03","90","","1014.5","0.4","470","2","470","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0258","0.0254","","","0.0684","0.0688","","","","","","1.111","","","","has coordinates,has Fobs","262868","2021-03-08","09:51:17",""
"1560926","12.85","0.003","8.784","0.0018","8.904","0.0018","90","","90","","90","","1005","0.4","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.03","0.0297","","","0.0811","0.0813","","","","","","1.165","","","","has coordinates,has Fobs","262869","2021-03-08","09:53:10",""
"1560927","8.789","0.0018","8.911","0.0018","12.86","0.003","90","","90","0.03","90","","1007.2","0.4","470","2","470","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.033","0.0325","","","0.0861","0.0868","","","","","","1.078","","","","has coordinates,has Fobs","262870","2021-03-08","09:57:07",""
"1560928","13","0.003","8.708","0.0017","8.956","0.0018","90","","90","","90","","1013.9","0.4","480","2","480","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0237","0.0234","","","0.0631","0.0633","","","","","","1.243","","","","has coordinates,has Fobs","262871","2021-03-08","09:59:32",""
"1560929","8.708","0.0017","8.956","0.0018","13","0.003","90","","90","0.03","90","","1013.9","0.4","480","2","480","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0255","0.025","","","0.0657","0.0661","","","","","","1.105","","","","has coordinates,has Fobs","262872","2021-03-08","10:01:20",""
"1560930","8.751","0.0018","8.894","0.0018","12.837","0.003","90","","90","0.03","90","","999.1","0.4","480","2","480","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0317","0.0311","","","0.0847","0.0856","","","","","","1.065","","","","has coordinates,has Fobs","262873","2021-03-08","10:04:38",""
"1560931","12.878","0.003","8.778","0.0018","8.925","0.0018","90","","90","","90","","1008.9","0.4","480","2","480","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Gd O14 P5 -","- Gd O14 P5 -","- Gd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.029","0.0287","","","0.0787","0.0789","","","","","","1.163","","","","has coordinates,has Fobs","262874","2021-03-08","10:06:18",""
"1560932","8.755","0.004","8.978","0.004","13.025","0.005","90","","90.654","0.006","90","","1023.7","0.8","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0482","0.0472","","","0.1299","0.1312","","","","","","1.058","","","","has coordinates,has Fobs","262875","2021-03-08","10:26:32",""
"1560933","8.75","0.003","8.981","0.003","13.016","0.005","90","","90.677","0.005","90","","1022.8","0.6","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.048","0.0476","","","0.1298","0.1305","","","","","","1.076","","","","has coordinates,has Fobs","262876","2021-03-08","10:28:24",""
"1560934","8.753","0.003","8.984","0.003","13.02","0.005","90","","90.666","0.005","90","","1023.8","0.6","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0503","0.0499","","","0.1448","0.1454","","","","","","1.111","","","","has coordinates,has Fobs","262877","2021-03-08","10:30:14",""
"1560935","8.754","0.003","8.986","0.003","13.022","0.005","90","","90.649","0.005","90","","1024.3","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0543","0.0536","","","0.1459","0.147","","","","","","1.061","","","","has coordinates,has Fobs","262878","2021-03-08","10:32:14",""
"1560936","8.752","0.004","8.983","0.004","13.019","0.006","90","","90.646","0.006","90","","1023.5","0.8","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0564","0.0551","","","0.1528","0.1537","","","","","","1.072","","","","has coordinates,has Fobs","262879","2021-03-08","10:33:49",""
"1560937","8.7514","0.0014","8.9848","0.0012","13.0164","0.0017","90","","90.595","0.007","90","","1023.4","0.3","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0607","0.0602","","","0.1693","0.1702","","","","","","1.078","","","","has coordinates,has Fobs","262880","2021-03-08","10:35:57",""
"1560938","8.755","0.004","8.985","0.004","13.024","0.006","90","","90.609","0.007","90","","1024.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0672","0.0666","","","0.1872","0.1883","","","","","","1.093","","","","has coordinates,has Fobs","262881","2021-03-08","10:37:29",""
"1560939","8.754","0.004","8.984","0.004","13.023","0.006","90","","90.634","0.006","90","","1024.1","0.8","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0608","0.0604","","","0.1711","0.1719","","","","","","1.085","","","","has coordinates,has Fobs","262882","2021-03-08","10:39:12",""
"1560940","8.755","0.004","8.985","0.004","13.024","0.006","90","","90.617","0.007","90","","1024.5","0.8","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0608","0.0601","","","0.1718","0.1728","","","","","","1.116","","","","has coordinates,has Fobs","262883","2021-03-08","10:40:49",""
"1560941","8.7529","0.001","8.973","0.001","13.0159","0.0016","90","","90.644","0.007","90","","1022.2","0.2","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0556","0.0541","","","0.1515","0.1538","","","","","","1.063","","","","has coordinates,has Fobs","262884","2021-03-08","10:43:16",""
"1560942","8.759","0.004","8.988","0.004","13.026","0.006","90","","90.589","0.007","90","","1025.4","0.8","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0509","0.05","","","0.1414","0.1427","","","","","","1.054","","","","has coordinates,has Fobs","262885","2021-03-08","10:45:07",""
"1560943","8.758","0.004","8.986","0.004","13.026","0.006","90","","90.59","0.007","90","","1025.1","0.8","230","2","230","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0532","0.0528","","","0.1462","0.1468","","","","","","1.079","","","","has coordinates,has Fobs","262886","2021-03-08","10:46:43",""
"1560952","8.764","0.004","8.99","0.004","13.034","0.006","90","","90.595","0.007","90","","1026.9","0.8","240","2","240","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0527","0.0523","","","0.1448","0.1455","","","","","","1.063","","","","has coordinates,has Fobs","262908","2021-03-09","08:19:06",""
"1560953","8.759","0.004","8.987","0.004","13.028","0.006","90","","90.561","0.007","90","","1025.5","0.8","250","2","250","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0564","0.0558","","","0.1564","0.1574","","","","","","1.093","","","","has coordinates,has Fobs","262909","2021-03-09","08:21:10",""
"1560954","8.757","0.004","8.983","0.004","13.026","0.006","90","","90.588","0.007","90","","1024.6","0.8","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0607","0.0602","","","0.1649","0.1656","","","","","","1.096","","","","has coordinates,has Fobs","262910","2021-03-09","08:23:16",""
"1560955","8.758","0.005","8.987","0.005","13.042","0.007","90","","90.539","0.008","90","","1026.5","1","270","2","270","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0637","0.063","","","0.17","0.1711","","","","","","1.114","","","","has coordinates,has Fobs","262911","2021-03-09","08:25:23",""
"1560956","8.764","0.005","8.995","0.005","13.023","0.006","90","","90.463","0.009","90","","1026.6","0.9","280","2","280","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0621","0.0611","","","0.1702","0.172","","","","","","1.095","","","","has coordinates,has Fobs","262912","2021-03-09","08:27:04",""
"1560957","8.758","0.0018","8.9943","0.0014","13.026","0.002","90","","90.509","0.009","90","","1026","0.3","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0742","0.0732","","","0.1938","0.1948","","","","","","1.112","","","","has coordinates,has Fobs","262913","2021-03-09","08:42:55",""
"1560958","8.771","0.004","9","0.004","13.047","0.005","90","","90.508","0.007","90","","1029.9","0.8","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0517","0.0513","","","0.1426","0.1432","","","","","","1.132","","","","has coordinates,has Fobs","262914","2021-03-09","08:45:08",""
"1560959","8.7655","0.0011","8.9976","0.0008","13.0283","0.0013","90","","90.462","0.005","90","","1027.49","0.19","310","2","310","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0537","0.0531","","","0.1421","0.1429","","","","","","1.123","","","","has coordinates,has Fobs","262915","2021-03-09","08:46:35",""
"1560960","8.76","0.004","8.991","0.004","13.037","0.006","90","","90.495","0.008","90","","1026.8","0.8","320","2","320","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0527","0.0522","","","0.1402","0.1411","","","","","","1.144","","","","has coordinates,has Fobs","262916","2021-03-09","08:48:02",""
"1560961","8.75","0.005","8.98","0.005","13.026","0.008","90","","90.495","0.01","90","","1023.5","1","330","2","330","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0547","0.0543","","","0.1407","0.1413","","","","","","1.107","","","","has coordinates,has Fobs","262917","2021-03-09","08:49:31",""
"1560962","8.7644","0.0014","8.9957","0.0011","13.0283","0.0016","90","","90.409","0.007","90","","1027.1","0.2","340","2","340","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0567","0.056","","","0.1463","0.1471","","","","","","1.122","","","","has coordinates,has Fobs","262918","2021-03-09","08:51:47",""
"1560963","8.776","0.0015","9.0006","0.0012","13.0387","0.0018","90","","90.341","0.008","90","","1029.9","0.3","350","2","350","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0563","0.0557","","","0.1437","0.1445","","","","","","1.103","","","","has coordinates,has Fobs","262919","2021-03-09","08:53:33",""
"1560964","8.7595","0.0013","8.9946","0.0015","13.023","0.002","90","","90.337","0.009","90","","1026","0.3","360","2","360","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0659","0.0642","","","0.1742","0.1759","","","","","","1.098","","","","has coordinates,has Fobs","262920","2021-03-09","08:55:02",""
"1560965","8.763","0.002","9.002","0.002","13.029","0.003","90","","90.316","0.013","90","","1027.8","0.4","370","2","370","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0674","0.0649","","","0.1833","0.1856","","","","","","1.133","","","","has coordinates,has Fobs","262921","2021-03-09","08:56:37",""
"1560966","13.14","0.03","8.84","0.02","9.01","0.02","90","","90","","90","","1047","4","380","2","380","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0783","0.076","","","0.2074","0.2111","","","","","","1.083","","","","has coordinates,has Fobs","262922","2021-03-09","08:58:23",""
"1560967","8.769","0.003","9.014","0.003","13.043","0.004","90","","90.344","0.017","90","","1030.9","0.6","380","2","380","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0683","0.0672","","","0.1829","0.1849","","","","","","1.143","","","","has coordinates,has Fobs","262923","2021-03-09","08:59:53",""
"1560968","12.95","0.03","8.806","0.018","8.95","0.02","90","","90","","90","","1021","4","390","2","390","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0788","0.0768","","","0.2048","0.2078","","","","","","1.142","","","","has coordinates,has Fobs","262924","2021-03-09","09:01:15",""
"1560969","8.7642","0.0016","8.9935","0.0019","13.037","0.003","90","","90.224","0.011","90","","1027.6","0.4","390","2","390","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0741","0.0712","","","0.197","0.1999","","","","","","1.1","","","","has coordinates,has Fobs","262925","2021-03-09","09:02:42",""
"1560970","8.786","0.002","8.9959","0.0016","13.044","0.004","90","","90.075","0.015","90","","1031","0.4","400","2","400","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0473","0.0457","","","0.1323","0.1349","","","","","","1.067","","","","has coordinates,has Fobs","262926","2021-03-09","09:04:11",""
"1560971","12.95","0.019","8.756","0.013","8.99","0.012","90","","90","","90","","1019","3","400","2","400","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0542","0.053","","","0.1401","0.1415","","","","","","1.035","","","","has coordinates,has Fobs","262927","2021-03-09","09:05:31",""
"1560972","12.944","0.016","8.742","0.011","8.987","0.011","90","","90","","90","","1017","2","410","2","410","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.058","0.057","","","0.1435","0.1448","","","","","","1.086","","","","has coordinates,has Fobs","262928","2021-03-09","09:07:20",""
"1560973","8.742","0.011","8.987","0.011","12.944","0.016","90","","90","","90","","1017","2","410","2","410","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0564","0.0553","","","0.146","0.1474","","","","","","1.115","","","","has coordinates,has Fobs","262929","2021-03-09","09:12:48",""
"1560974","12.97","0.05","8.83","0.03","8.88","0.03","90","","90","","90","","1017","6","420","2","420","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0567","0.0533","","","0.1493","0.1527","","","","","","1.107","","","","has coordinates,has Fobs","262930","2021-03-09","09:14:49",""
"1560975","8.83","0.03","8.88","0.03","12.97","0.05","90","","90","","90","","1017","6","420","2","420","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0535","0.0511","","","0.1427","0.1464","","","","","","1.046","","","","has coordinates,has Fobs","262931","2021-03-09","09:16:45",""
"1560976","13.107","0.003","8.83","0.002","9.038","0.002","90","","90","","90","","1046","0.4","430","2","430","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0542","0.0515","","","0.1311","0.1335","","","","","","1.151","","","","has coordinates,has Fobs","262932","2021-03-09","09:19:51",""
"1560977","8.769","0.009","8.931","0.009","13.016","0.015","90","","90","","90","","1019.4","1.9","430","2","430","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0585","0.0576","","","0.1402","0.1417","","","","","","1.146","","","","has coordinates,has Fobs","262933","2021-03-09","09:24:13",""
"1560978","13.08","0.02","8.759","0.017","9.002","0.015","90","","90","","90","","1031","3","440","2","440","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0828","0.0732","","","0.1932","0.198","","","","","","1.101","","","","has coordinates,has Fobs","262934","2021-03-09","09:27:34",""
"1560979","8.759","0.017","9.002","0.015","13.08","0.02","90","","90","","90","","1031","3","440","2","440","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0795","0.0733","","","0.191","0.1982","","","","","","1.093","","","","has coordinates,has Fobs","262935","2021-03-09","09:29:51",""
"1560980","12.98","0.02","8.758","0.015","8.976","0.017","90","","90","","90","","1020","3","450","2","450","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0533","0.0523","","","0.136","0.1378","","","","","","1.126","","","","has coordinates,has Fobs","262936","2021-03-09","09:31:53",""
"1560981","8.758","0.015","8.976","0.017","12.98","0.02","90","","90","","90","","1020","3","450","2","450","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0577","0.0561","","","0.1489","0.1523","","","","","","1.069","","","","has coordinates,has Fobs","262937","2021-03-09","09:35:24",""
"1560982","13.028","0.003","8.778","0.003","9.009","0.003","90","","90","","90","","1030.3","0.5","470","2","470","2","","","","","","","","3","P m n a","-P 2ac 2","53","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","0.5","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0402","0.0396","","","0.1022","0.1032","","","","","","1.1","","","","has coordinates,has Fobs","262938","2021-03-09","09:39:23",""
"1560983","8.778","0.003","9.009","0.003","13.028","0.003","90","","90","","90","","1030.3","0.5","470","2","470","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Nd O14 P5 -","- Nd O14 P5 -","- Nd4 O56 P20 -","4","1","","Cramer, Alisha J.; Cole, Jacqueline M.","Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14","Journal of Solid State Chemistry","2018","266","","250","257","10.1016/j.jssc.2018.07.020","","","0.71073","MoKα","","0.0423","0.0415","","","0.1177","0.1199","","","","","","1.098","","","","has coordinates,has Fobs","262939","2021-03-09","09:43:25",""
"1560988","12.002","0.005","12.509","0.009","6.404","0.007","90","","115.07","0.04","90","","870.9","1.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- Fe1.75 Li0.75 Mn1.5 O12 P3 -","- Fe1.76 Li0.76 Mn1.52 O12 P3 -","- Fe7.04 Li3.04 Mn6.08 O48 P12 -","4","0.5","","Trad, Khiem; Castets, Aurore; Wattiaux, Alain; Delmas, Claude; Ben Amara, Mongi; Carlier, Dany","Li0.75Mn1.50Fe1.75(PO4)3: First alluaudite-type iron phosphate containing only Li+ as alkaline ions","Journal of Solid State Chemistry","2018","265","","12","17","10.1016/j.jssc.2018.05.014","","x-ray","0.71073","MoKα","","0.0287","0.0258","","","0.0675","0.069","","","","","","1.127","","","","has coordinates","262965","2021-03-10","09:37:25",""
"1560989","11.6506","0.0008","11.6506","0.0008","13.6054","0.0016","90","","90","","90","","1846.7","0.3","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Eu0.15 O7 S3 Si2 Y3.85 -","- Eu0.15 O7 S3 Si2 Y3.85 -","- Eu1.2 O56 S24 Si16 Y30.8 -","8","0.25","","Tarasenko, Maria S.; Berezin, Alexey S.; Kiryakov, Alexander S.; Piryazev, Dmitry A.; Filatova, Irina Yu.; Naumov, Nikolay G.","Synthesis, crystal structure and photoluminescence of Eu3+ or Tb3+ doped solid solutions (Y1-xREx)4S3(Si2O7)","Journal of Solid State Chemistry","2018","265","","36","41","10.1016/j.jssc.2018.05.016","","","0.71073","MoKα","","0.0351","0.0265","","","0.0434","0.0455","","","","","","1.014","","","","has coordinates","262966","2021-03-10","09:44:49",""
"1560990","11.6794","0.0002","11.6794","0.0002","13.637","0.0004","90","","90","","90","","1860.2","0.07","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- O7 S3 Si2 Tb2 Y2 -","- O7 S3 Si2 Tb2 Y2 -","- O56 S24 Si16 Tb16 Y16 -","8","0.25","","Tarasenko, Maria S.; Berezin, Alexey S.; Kiryakov, Alexander S.; Piryazev, Dmitry A.; Filatova, Irina Yu.; Naumov, Nikolay G.","Synthesis, crystal structure and photoluminescence of Eu3+ or Tb3+ doped solid solutions (Y1-xREx)4S3(Si2O7)","Journal of Solid State Chemistry","2018","265","","36","41","10.1016/j.jssc.2018.05.016","","","0.71073","MoKα","","0.0134","0.012","","","0.0243","0.0246","","","","","","1.147","","","","has coordinates","262966","2021-03-10","09:44:50",""
"1560991","17.647","0.003","8.2183","0.0012","16.151","0.003","90","","121.896","0.0017","90","","1988.7","0.6","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cd3 N22 -","- C8 H12 Cd3 N22 -","- C32 H48 Cd12 N88 -","4","0.5","","Lin, Jian-Di; Li, Yang-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong; Lv, Ri-Xin; He, Wen-Cheng; Huang, Ze-Nan; Liu, Jin-Fu","Stabilizing volatile azido in a 3D nitrogen-rich energetic metal‒organic framework with excellent energetic performance","Journal of Solid State Chemistry","2018","265","","42","49","10.1016/j.jssc.2018.05.026","","","0.71073","MoKα","","0.0148","0.0142","","","0.0311","0.0314","","","","","","1.071","","","","has coordinates","262967","2021-03-10","09:51:12",""
"1560992","8.7089","0.0017","9.7452","0.0019","9.3353","0.0019","90","","92.63","0.03","90","","791.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- As2 Cu1.5 H4 Na O9 -","- As2 Cu1.5 H4 Na O9 -","- As8 Cu6 H16 Na4 O36 -","4","1","","Đorđević, Tamara; Karanović, Ljiljana; Jagličić, Zvonko","A new copper(II) arsenate, Na2Cu3(AsO3OH)4·4H2O containing discrete [Cu3O12]18− units: Synthesis, crystal structure and magnetic properties","Journal of Solid State Chemistry","2018","265","","55","63","10.1016/j.jssc.2018.05.024","","","0.71073","MoKα","","0.0389","0.0278","","","0.0602","0.0636","","","","","","1.052","","","","has coordinates","262968","2021-03-10","09:56:39",""
"1560993","16.9248","0.0013","16.9248","0.0013","16.9248","0.0013","90","","90","","90","","4848.1","0.6","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C26 H18 Co N16 -","- C26.0004 H18.0006 Co N15.9996 -","- C208.003 H144.005 Co8 N127.997 -","8","0.166667","","Feng, Ying; Cai, Song-Liang; Gao, Yong; Zheng, Sheng-Run","Construction of coordination polymers based on a rigid tripodal nitrogen-containing heterotopic ligand that designed by mixed-donors strategy","Journal of Solid State Chemistry","2018","265","","64","71","10.1016/j.jssc.2018.05.031","","","0.71073","MoKα","","0.0414","0.0304","","","0.0785","0.0856","","","","","","1.012","","","","has coordinates,has disorder","262969","2021-03-10","10:04:17",""
"1560994","17.0295","0.0013","17.0295","0.0013","17.0295","0.0013","90","","90","","90","","4938.6","0.7","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C26 H18 N16 Zn -","- C26.0004 H18.0006 N15.9996 Zn -","- C208.003 H144.005 N127.997 Zn8 -","8","0.166667","","Feng, Ying; Cai, Song-Liang; Gao, Yong; Zheng, Sheng-Run","Construction of coordination polymers based on a rigid tripodal nitrogen-containing heterotopic ligand that designed by mixed-donors strategy","Journal of Solid State Chemistry","2018","265","","64","71","10.1016/j.jssc.2018.05.031","","","0.71073","MoKα","","0.1423","0.0626","","","0.1411","0.1862","","","","","","0.899","","","","has coordinates,has disorder","262969","2021-03-10","10:04:21",""
"1560995","19.926","0.003","14.516","0.002","13.526","0.002","90","","132.204","0.002","90","","2898.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cu N16 O5 -","- C26 H22 Cu N16 O5 -","- C104 H88 Cu4 N64 O20 -","4","0.5","","Feng, Ying; Cai, Song-Liang; Gao, Yong; Zheng, Sheng-Run","Construction of coordination polymers based on a rigid tripodal nitrogen-containing heterotopic ligand that designed by mixed-donors strategy","Journal of Solid State Chemistry","2018","265","","64","71","10.1016/j.jssc.2018.05.031","","","0.71073","MoKα","","0.1128","0.0583","","","0.1401","0.1689","","","","","","0.997","","","","has coordinates","262969","2021-03-10","10:04:31",""
"1560996","10.934","0.004","31.788","0.011","10.119","0.003","90","","98.757","0.006","90","","3476","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N9 O -","- C16 H16 Cu N9 O -","- C128 H128 Cu8 N72 O8 -","8","1","","Feng, Ying; Cai, Song-Liang; Gao, Yong; Zheng, Sheng-Run","Construction of coordination polymers based on a rigid tripodal nitrogen-containing heterotopic ligand that designed by mixed-donors strategy","Journal of Solid State Chemistry","2018","265","","64","71","10.1016/j.jssc.2018.05.031","","","0.71073","MoKα","","0.1053","0.0584","","","0.1393","0.1626","","","","","","1.002","","","","has coordinates","262969","2021-03-10","10:04:31",""
"1560997","9.445","0.005","11.272","0.005","16.646","0.008","90","","96.041","0.009","90","","1762.4","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cu N9 O -","- C16 H16 Cu N9 O -","- C64 H64 Cu4 N36 O4 -","4","1","","Feng, Ying; Cai, Song-Liang; Gao, Yong; Zheng, Sheng-Run","Construction of coordination polymers based on a rigid tripodal nitrogen-containing heterotopic ligand that designed by mixed-donors strategy","Journal of Solid State Chemistry","2018","265","","64","71","10.1016/j.jssc.2018.05.031","","","0.71073","MoKα","","0.0616","0.0478","","","0.1282","0.141","","","","","","1","","","","has coordinates","262969","2021-03-10","10:04:31",""
"1560998","16.997","0.004","7.901","0.002","6.549","0.002","90","","94.93","0.03","90","","876.2","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Li2 O10 -","- C16 H20 Li2 O10 -","- C32 H40 Li4 O20 -","2","0.5","","Łyszczek, Renata; Głuchowska, Halina; Mazur, Liliana; Tarasiuk, Bogdan; Kinzhybalo, Vasyl; Kirillov, Alexander M.","Structural diversity of alkali metal coordination polymers driven by flexible biphenyl-4,4′-dioxydiacetic acid","Journal of Solid State Chemistry","2018","265","","92","99","10.1016/j.jssc.2018.05.022","","","0.71073","MoKα","","0.0565","0.0491","","","0.1374","0.1436","","","","","","1.076","","","","has coordinates","262970","2021-03-10","10:15:43",""
"1560999","16.693","0.006","21.059","0.007","89.25","0.03","90","","90","","90","","31375","19","296","2","296.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C56 H46 N8 Ni2 O8 Si -","- C56 H46 N8 Ni2 O8 Si -","- C896 H736 N128 Ni32 O128 Si16 -","16","0.5","","Li, Qi; Guo, Tiantian; Lv, Xin; Lin, Yifang; Dai, Zhihui; Fang, Min; Bao, Jianchun; Wu, Yong","Two Ni(II) semiconducting metal-organic frameworks based on the tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses, characterization, water stability and photoelectric properties","Journal of Solid State Chemistry","2018","265","","100","108","10.1016/j.jssc.2018.05.010","","","0.71073","MoKα","","0.1076","0.0672","","","0.1406","0.1652","","","","","","1.118","","","","has coordinates","262972","2021-03-10","10:44:18",""
"1561000","13.235","0.014","8.817","0.009","17.848","0.019","90","","96.459","0.013","90","","2070","4","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C84 H66 N8 Ni2 O17 Si2 -","- C84 H66 N8 Ni2 O17 Si2 -","- C84 H66 N8 Ni2 O17 Si2 -","1","0.25","","Li, Qi; Guo, Tiantian; Lv, Xin; Lin, Yifang; Dai, Zhihui; Fang, Min; Bao, Jianchun; Wu, Yong","Two Ni(II) semiconducting metal-organic frameworks based on the tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses, characterization, water stability and photoelectric properties","Journal of Solid State Chemistry","2018","265","","100","108","10.1016/j.jssc.2018.05.010","","","0.71073","MoKα","","0.0399","0.034","","","0.0986","0.1035","","","","","","1.071","","","","has coordinates","262972","2021-03-10","10:44:28",""
"1561010","6.7677","0.0003","12.6321","0.0004","5.3916","0.0002","90","","90","","90","","460.93","0.03","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 O6 Se2 Zn -","- Ba2 Cl2 O6 Se2 Zn -","- Ba4 Cl4 O12 Se4 Zn2 -","2","0.25","","Li, Qiang; Geng, Lei; Lu, Hong-Yan; Dai, Kai; Cheng, Wen-Dan","Crystal structures and characterizations of two new selenite chlorides: 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2","Journal of Solid State Chemistry","2018","265","","117","122","10.1016/j.jssc.2018.05.035","","","0.71073","MoKα","","0.0092","0.0088","","","0.0227","0.0228","","","","","","1.013","","","","has coordinates","263032","2021-03-15","07:52:18",""
"1561011","5.5156","0.0003","5.5156","0.0003","24.584","0.003","90","","90","","120","","647.69","0.09","298","2","298","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ba Cl2 O6 Se2 Zn2 -","- Ba Cl2 O6 Se2 Zn2 -","- Ba3 Cl6 O18 Se6 Zn6 -","3","0.0833333","","Li, Qiang; Geng, Lei; Lu, Hong-Yan; Dai, Kai; Cheng, Wen-Dan","Crystal structures and characterizations of two new selenite chlorides: 1D Ba2Zn(SeO3)2Cl2 and 2D BaZn2(SeO3)2Cl2","Journal of Solid State Chemistry","2018","265","","117","122","10.1016/j.jssc.2018.05.035","","","0.71073","MoKα","","0.012","0.0114","","","0.0286","0.029","","","","","","1.098","","","","has coordinates","263032","2021-03-15","07:52:19",""
"1561012","13.7864","0.0016","16.0116","0.001","13.7593","0.0014","90","","118.861","0.014","90","","2660","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N6 Ni O4 -","- C18 H12 N6 Ni O4 -","- C72 H48 N24 Ni4 O16 -","4","0.5","","Feng, Chao; Lv, Chang-Peng; Li, Zong-Qun; Zhao, Hong; Huang, Huan-Huan","A porous 2D Ni-MOF material with a high supercapacitive performance","Journal of Solid State Chemistry","2018","265","","244","247","10.1016/j.jssc.2018.06.019","","","0.71073","MoKα","","0.0348","0.0316","","","0.0907","0.0923","","","","","","1.136","","","","has coordinates","263033","2021-03-15","08:03:27",""
"1561013","28.219","0.006","25.406","0.005","9.5433","0.0019","90","","108.86","0.03","90","","6475","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H50 Cu3 N6 O23 -","- C35 H14 Cu3 N3 O17 -","- C140 H56 Cu12 N12 O68 -","4","0.5","","Meng, Lingkun; Liu, Kang; Fu, Shuang; wang, Lei; Liang, Chen; Li, Guanghua; Li, Chunguang; Shi, Zhan","Microporous Cu metal-organic framework constructed from V-shaped tetracarboxylic ligand for selective separation of C2H2/CH4 and C2H2/N2 at room temperature","Journal of Solid State Chemistry","2018","265","","285","290","10.1016/j.jssc.2018.06.009","","","0.71073","MoKα","","0.0578","0.0537","","","0.1708","0.1751","","","","","","1.062","","","","has coordinates,has disorder","263034","2021-03-15","08:08:57",""
"1561014","12.87","0.003","25.158","0.005","22.566","0.005","90","","95.947","0.004","90","","7267","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 Cu4 F4 N12 O49 Si W12 -","- C26 Cu4 F4 N12 O49 Si W12 -","- C104 Cu16 F16 N48 O196 Si4 W48 -","4","1","","Li, Xiao; Zhou, Kunfeng; Tong, Zhibo; Yang, Jianbo; Sheng, Ning; Li, Jisen; Sha, Jingquan","Keggin polyoxometalates based hybrid compounds containing helix/nanocages for colorimetric biosensing","Journal of Solid State Chemistry","2018","265","","372","380","10.1016/j.jssc.2018.06.020","","","0.71073","MoKα","","0.1042","0.0606","","","0.1439","0.1648","","","","","","1.03","","","","has coordinates","263035","2021-03-15","08:18:12",""
"1561015","18.836","0.0008","18.836","0.0008","25.942","0.002","90","","90","","120","","7971","0.8","296","2","296","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C39 F6 N18 O43 Si W12 -","- C39 F6 N18 O43 Si W12 -","- C156 F24 N72 O172 Si4 W48 -","4","0.333333","","Li, Xiao; Zhou, Kunfeng; Tong, Zhibo; Yang, Jianbo; Sheng, Ning; Li, Jisen; Sha, Jingquan","Keggin polyoxometalates based hybrid compounds containing helix/nanocages for colorimetric biosensing","Journal of Solid State Chemistry","2018","265","","372","380","10.1016/j.jssc.2018.06.020","","","0.71073","MoKα","","0.0585","0.0392","","","0.1081","0.1256","","","","","","1.122","","","","has coordinates","263036","2021-03-15","08:19:23",""
"1561016","16.729","0.014","18.275","0.014","17.963","0.015","90","","102.033","0.011","90","","5371","8","293","","293","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C37 H44 Cu2 I2 Li2 N8 O12 Sr -","- C37 H44 Cu2 I2 Li2 N8 O12 Sr -","- C148 H176 Cu8 I8 Li8 N32 O48 Sr4 -","4","0.5","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71075","MoKα","","0.0947","0.0771","","","0.1967","0.2145","","","","","","1.099","","","","has coordinates,has Fobs","263038","2021-03-15","08:47:32",""
"1561017","11.212","0.007","15.162","0.01","15.356","0.01","107.554","0.009","90.384","0.005","101.987","0.01","2428","3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C36.01 H34 Cu2 I2 Li N7 O12 Sr2 -","- C36.01 H32.94 Cu2 I2 Li N7 O12 Sr2 -","- C72.02 H65.88 Cu4 I4 Li2 N14 O24 Sr4 -","2","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71075","MoKα","","0.1228","0.0866","","","0.201","0.2328","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","263039","2021-03-15","08:51:30",""
"1561018","12.305","0.008","14.283","0.01","17.104","0.011","101.054","0.008","92.084","0.012","96.198","0.007","2928","3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C41 H58 Cu2 I2 N9 Na O16.5 Sr2 -","- C39 H53 Cu2 I2 N10 Na O17.5 Sr2 -","- C78 H106 Cu4 I4 N20 Na2 O35 Sr4 -","2","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71073","MoKα","","0.0917","0.075","","","0.1993","0.2239","","","","","","0.844","","","","has coordinates,has disorder,has Fobs","263040","2021-03-15","08:56:23",""
"1561019","26.145","0.015","16.869","0.009","13.608","0.007","90","","90","","90","","6002","6","293","2","293","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C42 H47 Cu2 I2 N9 Na O14 Sr2 -","- C42 H48 Cu2 I2 N9 Na O14 Sr2 -","- C168 H192 Cu8 I8 N36 Na4 O56 Sr8 -","4","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71073","MoKα","","0.0795","0.0665","","","0.1572","0.1698","","","","","","1.068","","","","has coordinates,has Fobs","263041","2021-03-15","08:59:38",""
"1561020","16.652","0.012","18.311","0.012","18.392","0.013","90","","103.741","0.007","90","","5447","7","293","","293","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H37 Ba Cu2 I2 Li2 N8 O12 -","- C36 H37 Ba Cu2 I2 Li2 N8 O12 -","- C144 H148 Ba4 Cu8 I8 Li8 N32 O48 -","4","0.5","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71075","MoKα","","0.0709","0.0594","","","0.1499","0.1618","","","","","","1.089","","","","has coordinates,has Fobs","263042","2021-03-15","09:02:55",""
"1561021","16.363","0.005","27.061","0.008","26.853","0.007","90","","90","","90","","11890","6","293","","293","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C40 H47 Ba2 Cu2 I2 Li2 N8 O16.5 -","- C40 H51 Ba2 Cu2 I2 Li2 N8 O16.5 -","- C320 H408 Ba16 Cu16 I16 Li16 N64 O132 -","8","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71075","MoKα","","0.094","0.0736","","","0.1626","0.1812","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","263043","2021-03-15","09:10:46",""
"1561022","14.392","0.006","27.158","0.011","28.376","0.011","90","","90","","90","","11091","8","293","2","293","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C42 H29 Ba2 Cu2 I Li2 N7 O15.5 -","- C336 H232 Ba16 Cu16 I8 Li16 N56 O124 -","8","1","","Xiong, Gang; Wang, Bin-bin; He, Yongke; you, Lixin; Ren, Baoyi; Sun, Yaguang","Syntheses, structures, and luminescence of a series of novel trimetallic coordination polymers constructed by Cu-I clusters and alkaline-carboxyl- alkaline-earth building units","Journal of Solid State Chemistry","2018","265","","393","401","10.1016/j.jssc.2018.06.026","","","0.71073","MoKα","","0.0908","0.0749","","","0.1884","0.2077","","","","","","1.034","","","","has coordinates,has Fobs","263044","2021-03-15","09:16:09",""
"1561023","6.8131","0.0011","9.1255","0.0015","13.208","0.0017","78.901","0.012","85.319","0.012","75.131","0.014","778.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N10 O24 Zn8 -","- C22 H18 N10 O24 Zn8 -","- C22 H18 N10 O24 Zn8 -","1","0.5","","Xiao, Yu; Zhang, Chong; Qin, Yan; Wu, Chengchen; Zheng, Xiao","Highly efficient removal of As(V) from aqueous solutions using a novel octanuclear Zn(II)-based polymer: Synthesis, structure, properties and optimization using a response surface methodology","Journal of Solid State Chemistry","2018","264","","6","14","10.1016/j.jssc.2018.04.030","","x-ray","0.71073","MoKα","","0.0858","0.0724","","","0.1742","0.1821","","","","","","1.148","","","","has coordinates,has disorder","263045","2021-03-15","09:36:06",""
"1561036","12.379","0.0012","14.8","0.003","6.831","0.002","90","","98.769","0.002","90","","1236.9","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co2 N4 O7 -","- C9 H8 Co2 N4 O7 -","- C36 H32 Co8 N16 O28 -","4","1","","Fan, Liming; Gao, Lingling; Ren, Guohua; Zhang, Jie; Huo, Liangqin; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Three coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: Syntheses, structure, magnetic properties","Journal of Solid State Chemistry","2018","264","","15","21","10.1016/j.jssc.2018.04.036","","","0.7107","MoKα","","0.1451","0.1189","","","0.2551","0.2705","","","","","","1.062","","","","has coordinates","263061","2021-03-16","09:37:49",""
"1561037","6.1802","0.0003","10.5379","0.0006","13.6598","0.0008","73.355","0.005","86.811","0.004","73.55","0.005","817.13","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Co N12 O12 -","- C30 H28 Co N12 O12 -","- C30 H28 Co N12 O12 -","1","0.5","","Fan, Liming; Gao, Lingling; Ren, Guohua; Zhang, Jie; Huo, Liangqin; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Three coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: Syntheses, structure, magnetic properties","Journal of Solid State Chemistry","2018","264","","15","21","10.1016/j.jssc.2018.04.036","","","0.71073","MoKα","","0.0318","0.0286","","","0.0698","0.0716","","","","","","1.079","","","","has coordinates","263061","2021-03-16","09:37:50",""
"1561038","10.62","0.05","10.82","0.05","12.58","0.06","98.49","0.05","92.7","0.04","99.49","0.05","1406","11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N6 Ni O5 -","- C25 H18 N6 Ni O5 -","- C50 H36 N12 Ni2 O10 -","2","1","","Fan, Liming; Gao, Lingling; Ren, Guohua; Zhang, Jie; Huo, Liangqin; Wang, Xiaoqing; Niu, Xiaoyan; Hu, Tuoping","Three coordination polymers based on 5-(1H-tetrazol-5-yl)isophthalic acid: Syntheses, structure, magnetic properties","Journal of Solid State Chemistry","2018","264","","15","21","10.1016/j.jssc.2018.04.036","","","0.71075","MoKα","","0.1356","0.069","","","0.1723","0.2111","","","","","","0.947","","","","has coordinates","263061","2021-03-16","09:37:50",""
"1561039","17.6606","0.0014","6.9124","0.0005","9.3741","0.0007","90","","110.327","0.005","90","","1073.1","0.14","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H16 Mn3 N2 O12 -","- C20 H16 Mn3 N2 O12 -","- C40 H32 Mn6 N4 O24 -","2","0.25","","Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo","Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands","Journal of Solid State Chemistry","2018","264","","29","34","10.1016/j.jssc.2018.04.034","","","0.71073","MoKα","","0.0467","0.0436","","","0.129","0.1306","","","","","","1.048","","","","has coordinates,has disorder","263062","2021-03-16","09:45:45",""
"1561040","26.9594","0.0014","12.0086","0.0006","12.8839","0.0007","90","","90","","90","","4171.1","0.4","299","2","299","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C19 H15 Cu2 N3 O9 -","- C19 H15 Cu2 N3 O9 -","- C152 H120 Cu16 N24 O72 -","8","0.5","","Zhai, Bin; Song, Li-Li; Wang, Wen-Jing; Li, Zhong-Yi; Li, Su-Zhi; Zhang, Fu-Li; Zhang, Chi; Zang, Yun-Bo","Structures and magnetic properties of 3D manganese(II)- and 2D pillar-layered copper(II)-organic framework derived from mixed carboxylate ligands","Journal of Solid State Chemistry","2018","264","","29","34","10.1016/j.jssc.2018.04.034","","","0.71073","MoKα","","0.0762","0.0644","","","0.1602","0.1698","","","","","","1.05","","","","has coordinates","263062","2021-03-16","09:45:46",""
"1561041","14.84","0.004","10.214","0.002","8.986","0.004","90","","124.65","0.03","90","","1120.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H30 Cu N4 O14 P4 -","- C10 H30 Cu N4 O14 P4 -","- C20 H60 Cu2 N8 O28 P8 -","2","0.25","","Hemissi, Hanène; Fezai, Ramzi; Mezni, Ali; Besbes-Hentati, Salma; Rzaigui, Mohamed","First copper(II)-cyclophosphato complex with macrocyclic N-donor ligand: Single crystal structure elucidation with Hirshfeld surface analysis, optical, electrochemical and antioxidant properties","Journal of Solid State Chemistry","2018","263","","1","10","10.1016/j.jssc.2018.04.004","","x-ray","0.56083","AgKα","","0.0609","0.0377","","","0.0887","0.0976","","","","","","1.022","","","","has coordinates","263063","2021-03-16","09:56:42",""
"1561042","27.1461","0.0012","21.3948","0.0017","7.7251","0.0003","90","","94.13","0.003","90","","4475","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Eu2Cl2(H3O)2(C17H12N3O4)2(C8H4O4)","'Eu2Cl2(H3O)2(C17H12N3O4)2(C8H4O4)'","","- C42 H34 Cl2 Eu2 N6 O14 -","- C42 H28 Cl2 Eu2 N6 O14 -","- C168 H112 Cl8 Eu8 N24 O56 -","4","0.5","","Wen, Ji-Wu; Chen, Wen-Tong; Zhang, Zhuan-Xia; Tao, Wen-Jing; Liu, Chao","The mixed-ligand strategy to assemble a europium metal-organic framework with a 2-fold-interpenetrated network","Journal of Solid State Chemistry","2018","263","","30","35","10.1016/j.jssc.2018.04.006","","","0.71073","MoKα","","0.0774","0.0682","","","0.1475","0.1542","","","","","","1.018","","","","has coordinates","263064","2021-03-16","10:09:09",""
"1561052","16.064","0.003","25.821","0.005","13.787","0.003","90","","90","","90","","5719","2","293","","293","","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C54 H30 Ag6 Co3 N12 O24 -","- C54 H30 Ag6 Co3 N12 O24 -","- C216 H120 Ag24 Co12 N48 O96 -","4","0.25","","Zhang, Shi-Yuan; Yang, Yuan-Yuan; Zheng, Yue-Qing; Zhu, Hong-Lin","Ag-doped Co3O4 catalyst derived from heterometallic MOF for syngas production by electrocatalytic reduction of CO2 in water","Journal of Solid State Chemistry","2018","263","","44","51","10.1016/j.jssc.2018.04.007","","","0.71073","MoKα","","0.0377","0.0318","","","0.0674","0.0787","","","","","","1.133","","","","has coordinates","263077","2021-03-17","08:29:54",""
"1561053","12.934","0.005","15.925","0.005","16.164","0.005","77.67","0.005","67.997","0.005","69.991","0.005","2886.6","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Ag29 N54 O40 Si W12 -","- C36 H36 Ag29 N54 O40 Si W12 -","- C36 H36 Ag29 N54 O40 Si W12 -","1","0.5","","Sha, Jing-Quan; Yang, Xi-Ya; Sheng, Ning; Liu, Guo-Dong; Li, Ji-Sen; Yang, Jian-Bo","Synthesis and PPy loading for enhanced visible-light photocatalytic activity of new POMOFs containing silver chains","Journal of Solid State Chemistry","2018","263","","52","59","10.1016/j.jssc.2018.04.008","","","0.71069","MoKα","","0.1286","0.126","","","0.2948","0.2958","","","","","","1.303","","","","has coordinates","263078","2021-03-17","08:33:16",""
"1561054","7.5818","0.0015","12.501","0.003","18.377","0.004","90","","96.43","0.03","90","","1730.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 H8 N2 Se8 Sn2 -","- Ga2 N2 Se8 Sn2 -","- Ga8 N8 Se32 Sn8 -","4","1","","Wang, Jingrui; Li, Peng; Cai, Ting; Yang, Dan-Dan; Xiong, Wei-Wei","Four two-dimensional ternary selenides based on group 13 and 14 metals: Syntheses, crystal structures, and electrochemical properties","Journal of Solid State Chemistry","2018","263","","88","93","10.1016/j.jssc.2018.04.018","","","0.71073","MoKα","","0.0677","0.0579","","","0.1413","0.1456","","","","","","1.009","","","","has coordinates","263079","2021-03-17","08:47:15",""
"1561055","7.6416","0.0012","12.4698","0.0019","18.222","0.003","90","","95.214","0.006","90","","1729.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ge2 H8 In2 N2 Se8 -","- Ge2 In2 N2 Se8 -","- Ge8 In8 N8 Se32 -","4","1","","Wang, Jingrui; Li, Peng; Cai, Ting; Yang, Dan-Dan; Xiong, Wei-Wei","Four two-dimensional ternary selenides based on group 13 and 14 metals: Syntheses, crystal structures, and electrochemical properties","Journal of Solid State Chemistry","2018","263","","88","93","10.1016/j.jssc.2018.04.018","","","0.71073","MoKα","","0.1768","0.1005","","","0.2787","0.3236","","","","","","1.031","","","","has coordinates","263079","2021-03-17","08:47:19",""
"1561056","7.462","0.003","12.302","0.003","17.633","0.005","90","","92.4","0.03","90","","1617.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Ge2 H8 N2 Se8 -","- Ga2 Ge2 N2 Se8 -","- Ga8 Ge8 N8 Se32 -","4","1","","Wang, Jingrui; Li, Peng; Cai, Ting; Yang, Dan-Dan; Xiong, Wei-Wei","Four two-dimensional ternary selenides based on group 13 and 14 metals: Syntheses, crystal structures, and electrochemical properties","Journal of Solid State Chemistry","2018","263","","88","93","10.1016/j.jssc.2018.04.018","","","0.71073","MoKα","","0.2485","0.1126","","","0.2438","0.324","","","","","","1.014","","","","has coordinates","263079","2021-03-17","08:47:29",""
"1561057","8.3731","0.0009","8.3731","0.0009","6.7188","0.001","90","","90","","90","","471.05","0.1","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- H4 In N Se4 Sn -","- In N Se4 Sn -","- In2 N2 Se8 Sn2 -","2","0.0625","","Wang, Jingrui; Li, Peng; Cai, Ting; Yang, Dan-Dan; Xiong, Wei-Wei","Four two-dimensional ternary selenides based on group 13 and 14 metals: Syntheses, crystal structures, and electrochemical properties","Journal of Solid State Chemistry","2018","263","","88","93","10.1016/j.jssc.2018.04.018","","","0.71073","MoKα","","0.098","0.0591","","","0.1195","0.1392","","","","","","1.063","","","","has coordinates","263079","2021-03-17","08:47:31",""
"1561058","19.8694","0.0005","5.3228","0.0001","16.9647","0.0004","90","","125.091","0.001","90","","1468.09","0.06","296","1","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Calcium cobalt tellurite chloride","","- Ca Cl2 Co4 O12 Te4 -","- Ca Cl2 Co4 O12 Te4 -","- Ca4 Cl8 Co16 O48 Te16 -","4","0.5","","Stolze, Karoline; Kong, Tai; von Rohr, Fabian O.; Cava, Robert J.","Crystal structure and anisotropic magnetic properties of CaCo4(TeO3)4Cl2","Journal of Solid State Chemistry","2018","263","","141","147","10.1016/j.jssc.2018.04.013","","","0.71073","MoKα","","0.025","0.0175","","","0.0359","0.0375","","","","","","1.035","","","","has coordinates","263080","2021-03-17","08:53:09",""
"1561059","13.309","0.003","15.711","0.003","15.27","0.003","90","","98.28","0.03","90","","3159.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Co2 N4 O11 -","- C31 H22 Co2 N4 O11 -","- C124 H88 Co8 N16 O44 -","4","1","","Dong, Jun-Liang; He, Kun-Huan; Wang, Duo-Zhi; Zhang, Ying-Hui; Wang, Dan-Hong","Solvothermal syntheses, structures, and magnetic properties of three cobalt coordination polymers constructed from naphthalene-1,4-dicarboxylic acid and bis(imidazole) linkers","Journal of Solid State Chemistry","2018","263","","164","171","10.1016/j.jssc.2018.04.019","","","0.71073","MoKα","","0.101","0.0616","","","0.1036","0.1157","","","","","","1.101","","","","has coordinates","263081","2021-03-17","09:17:19",""
"1561060","22.634","0.004","10.384","0.002","22.097","0.004","90","","91.27","0.03","90","","5192.2","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Co3 N8 O12 -","- C50 H34 Co3 N8 O12 -","- C200 H136 Co12 N32 O48 -","4","0.5","","Dong, Jun-Liang; He, Kun-Huan; Wang, Duo-Zhi; Zhang, Ying-Hui; Wang, Dan-Hong","Solvothermal syntheses, structures, and magnetic properties of three cobalt coordination polymers constructed from naphthalene-1,4-dicarboxylic acid and bis(imidazole) linkers","Journal of Solid State Chemistry","2018","263","","164","171","10.1016/j.jssc.2018.04.019","","","0.71073","MoKα","","0.1675","0.0744","","","0.3222","0.339","","","","","","1.165","","","","has coordinates","263081","2021-03-17","09:17:22",""
"1561061","10.557","0.002","20.778","0.004","16.379","0.005","90","","129.85","0.02","90","","2758.3","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H42 Co4 N8 O15 -","- C60 H42 Co4 N8 O15 -","- C120 H84 Co8 N16 O30 -","2","0.5","","Dong, Jun-Liang; He, Kun-Huan; Wang, Duo-Zhi; Zhang, Ying-Hui; Wang, Dan-Hong","Solvothermal syntheses, structures, and magnetic properties of three cobalt coordination polymers constructed from naphthalene-1,4-dicarboxylic acid and bis(imidazole) linkers","Journal of Solid State Chemistry","2018","263","","164","171","10.1016/j.jssc.2018.04.019","","","0.71073","MoKα","","0.1148","0.0628","","","0.2336","0.2533","","","","","","1.093","","","","has coordinates,has disorder","263081","2021-03-17","09:17:26",""
"1561062","3.9745","0.0003","20.3557","0.0012","9.2007","0.0004","90","","94.492","0.005","90","","742.08","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 Cl2 Hg N4 -","- C2 H4 Cl2 Hg N4 -","- C8 H16 Cl8 Hg4 N16 -","4","1","","Liu, Dong-Sheng; Sui, Yan; Ye, Guang-Ming; Wang, Hui-ying; Liu, Jian-Qi; Chen, Wen-Tong","Synthesis, structures and properties of three mercury coordination polymers based on 5-methyltetrazolate ligand","Journal of Solid State Chemistry","2018","263","","182","189","10.1016/j.jssc.2018.04.016","","x-ray","0.71073","MoKα","","0.0582","0.0518","","","0.1185","0.1228","","","","","","1.039","","","","has coordinates","263082","2021-03-17","09:23:41",""
"1561063","11.3294","0.0003","11.3294","0.0003","13.1741","0.0009","90","","90","","90","","1690.97","0.13","298","2","298","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C4 H6 Hg N8 -","- C4 H6 Hg N8 -","- C32 H48 Hg8 N64 -","8","0.5","","Liu, Dong-Sheng; Sui, Yan; Ye, Guang-Ming; Wang, Hui-ying; Liu, Jian-Qi; Chen, Wen-Tong","Synthesis, structures and properties of three mercury coordination polymers based on 5-methyltetrazolate ligand","Journal of Solid State Chemistry","2018","263","","182","189","10.1016/j.jssc.2018.04.016","","x-ray","0.71073","MoKα","","0.0324","0.0228","","","0.0583","0.0647","","","","","","1.036","","","","has coordinates","263082","2021-03-17","09:23:42",""
"1561064","10.5584","0.0009","10.5584","0.0009","10.5584","0.0009","90","","90","","90","","1177.05","0.17","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- As7 Ba2 I -","- As7 Ba2 I -","- As28 Ba8 I4 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0769","0.0445","","","0.054","0.0594","","","","","","1.051","","","","has coordinates","263083","2021-03-17","09:35:54",""
"1561065","10.5195","0.0007","10.5195","0.0007","10.5195","0.0007","90","","90","","90","","1164.09","0.13","90","2","90","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- As7 Ba1.77 I Sr0.23 -","- As7 Ba1.774 I Sr0.226 -","- As28 Ba7.096 I4 Sr0.904 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.014","0.0129","","","0.0244","0.0246","","","","","","1.126","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561066","9.8268","0.0007","9.8268","0.0007","9.8268","0.0007","90","","90","","90","","948.93","0.12","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Eu2 I P7 -","- Eu2 I P7 -","- Eu8 I4 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0399","0.025","","","0.0286","0.0308","","","","","","1.065","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561067","9.8547","0.0005","9.8547","0.0005","9.8547","0.0005","90","","90","","90","","957.04","0.08","90","2","90","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Ba0.72 Br Eu1.28 P7 -","- Ba0.722 Br Eu1.278 P7 -","- Ba2.888 Br4 Eu5.112 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0197","0.0174","","","0.0299","0.0305","","","","","","1.193","","","","has coordinates","263083","2021-03-17","09:35:55",""
"1561068","9.7013","0.0007","9.7013","0.0007","9.7013","0.0007","90","","90","","90","","913.04","0.11","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Br Eu2 P7 -","- Br Eu2 P7 -","- Br4 Eu8 P28 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0136","0.0128","","","0.022","0.0222","","","","","","1.17","","","","has coordinates","263083","2021-03-17","09:35:56",""
"1561069","10.261","0.006","10.261","0.006","10.261","0.006","90","","90","","90","","1080.4","1.1","90","2","90","2","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- As7 I Sr2 -","- As7 I Sr2 -","- As28 I4 Sr8 -","4","0.333333","","Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters","Journal of Solid State Chemistry","2018","263","","195","202","10.1016/j.jssc.2018.04.026","","","0.71073","MoKα","","0.0594","0.0406","","","0.0743","0.0814","","","","","","1.044","","","","has coordinates","263083","2021-03-17","09:35:56",""
"1561070","13.717","0.0004","5.67313","0.00016","17.9752","0.0004","90","","103.083","0.003","90","","1362.49","0.07","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-aminobenzthiazole 2,2-dimethylpropionic acid","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","1.5418","CuKα","Mo","0.0511","0.0457","","","0.1271","0.1341","","","","","","1.062","","","","has coordinates","263084","2021-03-17","09:53:04",""
"1561071","9.8055","0.0005","10.7184","0.0006","12.0255","0.0006","90","","108.683","0.005","90","","1197.27","0.11","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","0.71073","MoKα","Mo","0.0497","0.0398","","","0.0965","0.1041","","","","","","0.965","","","","has coordinates","263084","2021-03-17","09:53:07",""
"1561072","16.243","0.002","5.0734","0.0005","11.6777","0.0015","90","","105.303","0.014","90","","928.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C36 H32 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","0.71073","MoKα","","0.067","0.0572","","","0.1408","0.1478","","","","","","1.175","","","","has coordinates","263084","2021-03-17","09:53:10",""
"1561073","8.4826","0.0008","11.7551","0.0009","13.0494","0.0014","66.221","0.009","79.094","0.009","71.888","0.008","1128.7","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O4 S -","- C10 H10 N2 O4 S -","- C40 H40 N8 O16 S4 -","4","2","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","0.71073","MoKα","Mo","0.0833","0.0547","","","0.1219","0.1418","","","","","","1.028","","","","has coordinates","263084","2021-03-17","09:53:12",""
"1561074","11.38577","0.00018","5.56906","0.00012","17.5663","0.0003","90","","95.5051","0.0015","90","","1108.71","0.04","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N2 O2 S -","- C10 H11 N2 O2 S -","- C40 H44 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","1.54184","CuKα","Mo","0.0381","0.0343","","","0.0948","0.0986","","","","","","1.068","","","","has coordinates","263084","2021-03-17","09:53:15",""
"1561075","17.5177","0.001","12.7308","0.0006","12.3649","0.0007","90","","106.203","0.006","90","","2648","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N4 O5 S2 -","- C24 H32 N4 O5 S2 -","- C96 H128 N16 O20 S8 -","4","0.5","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","1.54184","CuKα","Mo","0.0582","0.0485","","","0.135","0.1485","","","","","","1.046","","","","has coordinates","263084","2021-03-17","09:53:16",""
"1561076","9.25","0.02","8.45","0.02","16.95","0.05","90","","93.7","0.2","90","","1322","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","1.54184","CuKα","","0.0729","0.067","","","0.1972","0.205","","","","","","1.11","","","","has coordinates","263084","2021-03-17","09:53:16",""
"1561077","11.559","0.0007","10.7188","0.0005","12.1113","0.0007","90","","113.798","0.007","90","","1372.99","0.15","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","0.71073","MoKα","Mo","0.0464","0.038","","","0.0988","0.1064","","","","","","0.866","","","","has coordinates","263084","2021-03-17","09:53:16",""
"1561078","8.66534","0.00017","8.26694","0.00013","19.7644","0.0003","90","","91.4732","0.0015","90","","1415.37","0.04","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Yadav, Priyanka; Patel, Vatsa; Ballabh, Amar","Role of S…O non-bonded interaction in controlling supramolecular assemblies in a new series of 2-aminobenzothiazole based organic salts/ co-crystals","Journal of Solid State Chemistry","2018","263","","231","238","10.1016/j.jssc.2018.04.015","","x-ray","1.54184","CuKα","Mo","0.0482","0.0462","","","0.1255","0.1281","","","","","","1.043","","","","has coordinates","263084","2021-03-17","09:53:16",""
"1561079","10.9608","0.0014","9.5774","0.0013","9.9838","0.0013","90","","114.196","0.004","90","","956","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 O9.65 Tb -","- C3 H6 O9.654 Tb -","- C12 H24 O38.616 Tb4 -","4","1","","Alexander, Dinu; Joy, Monu; Thomas, Kukku; Sisira, S.; Biju, P.R.; Unnikrishnan, N.V.; Sudarsanakumar, C.; Ittyachen, M.A.; Joseph, Cyriac","Efficient green luminescence of terbium oxalate crystals: A case study with Judd-Ofelt theory and single crystal structure analysis and the effect of dehydration on luminescence","Journal of Solid State Chemistry","2018","262","","68","78","10.1016/j.jssc.2018.02.017","","","0.71073","MoKα","","0.0344","0.0339","","","0.0927","0.0932","","","","","","1.118","","","","has coordinates","263085","2021-03-17","10:26:12",""
"1561080","10.3382","0.0002","12.2408","0.0003","17.3964","0.0004","90","","103.209","0.001","90","","2143.23","0.08","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cd N5 O6 -","- C22 H17 Cd N5 O6 -","- C88 H68 Cd4 N20 O24 -","4","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0531","0.0421","","","0.0818","0.0856","","","","","","1.224","","","","has coordinates","263086","2021-03-17","10:44:54",""
"1561081","10.118","0.005","12.363","0.005","16.88","0.005","90","0.005","101.635","0.005","90","0.005","2068.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Co N5 O6 -","- C22 H17 Co N5 O6 -","- C88 H68 Co4 N20 O24 -","4","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0295","0.0263","","","0.0663","0.0701","","","","","","1.056","","","","has coordinates","263087","2021-03-17","10:46:06",""
"1561082","10.2132","0.0002","18.0862","0.0004","11.7685","0.0002","90","","95.485","0.001","90","","2163.9","0.07","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 O6 Zn -","- C22 H17 N5 O6 Zn -","- C88 H68 N20 O24 Zn4 -","4","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0338","0.0287","","","0.075","0.0774","","","","","","1.052","","","","has coordinates","263088","2021-03-17","10:47:33",""
"1561083","15.4132","0.0003","15.4132","0.0003","18.4595","0.0005","90","","90","","90","","4385.36","0.17","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H17 N5 O6 Zn -","- C22 H17 N5 O6 Zn -","- C176 H136 N40 O48 Zn8 -","8","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0435","0.0328","","","0.0699","0.0741","","","","","","0.985","","","","has coordinates","263089","2021-03-17","10:48:56",""
"1561084","25.6123","0.0005","14.1294","0.0003","15.9965","0.0003","90","","90","","90","","5788.9","0.2","296","2","296.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H28 Cd N5 O6 -","- C28 H28 Cd0.999 N5 O6 -","- C224 H224 Cd7.992 N40 O48 -","8","1","","Arıcı, Mürsel","Construction, Structural Diversity and Properties of Five Coordination Polymers Based on 5-Nitroisophthalate and Bis(imidazole) Linkers","Journal of Solid State Chemistry","2018","262","","79","86","10.1016/j.jssc.2018.03.013","","","0.71073","MoKα","","0.0868","0.0528","","","0.0948","0.105","","","","","","1.047","","","","has coordinates,has disorder","263090","2021-03-17","10:51:07",""
"1561106","24.4097","0.0005","24.4097","0.0005","14.7898","0.0007","90","","90","","90","","8812.3","0.5","297","2","297","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H19 N3 Ni2 O11 S -","- C16 H13 N3 Ni2 O8 S -","- C256 H208 N48 Ni32 O128 S16 -","16","1","","Chen, Yong-Qiang; Tian, Yuan; Li, Na; Liu, Sui-Jun","Ni(II)/Zn(II)-triazolate clusters based MOFs constructed from a V-shaped dicarboxylate ligand: Magnetic properties and phosphate sensing","Journal of Solid State Chemistry","2018","262","","100","105","10.1016/j.jssc.2018.03.015","","","0.71073","MoKα","","0.0385","0.0328","","","0.0764","0.0794","","","","","","0.971","","","","has coordinates","263114","2021-03-18","09:48:10",""
"1561107","24.9898","0.0013","24.9898","0.0013","14.9086","0.0015","90","","90","","90","","9310.3","1.2","297","2","297","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H19 N3 O11 S Zn2 -","- C16 H15 N3 O9 S Zn2 -","- C256 H240 N48 O144 S16 Zn32 -","16","1","","Chen, Yong-Qiang; Tian, Yuan; Li, Na; Liu, Sui-Jun","Ni(II)/Zn(II)-triazolate clusters based MOFs constructed from a V-shaped dicarboxylate ligand: Magnetic properties and phosphate sensing","Journal of Solid State Chemistry","2018","262","","100","105","10.1016/j.jssc.2018.03.015","","","0.71073","MoKα","","0.034","0.029","","","0.0719","0.0741","","","","","","1.044","","","","has coordinates","263114","2021-03-18","09:48:11",""
"1561108","5.15539","0.00012","5.15539","0.00012","11.192","0.0004","90","","90","","90","","297.461","0.014","293","1","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- Cd3.88 Mo3.88 O16 W0.12 Yb0.08 -","- Cd3.8824 Mo3.8824 O16 W0.1176 Yb0.0784 -","- Cd3.8824 Mo3.8824 O16 W0.1176 Yb0.0784 -","1","0.0625","","Groń, T.; Tomaszewicz, E.; Berkowski, M.; Głowacki, M.; Oboz, M.; Kusz, J.; Sawicki, B.; Kukuła, Z.; Duda, H.","Yb3±doped cadmium molybdato-tungstate single crystal ‒ Its structural, optical, magnetic and transport properties","Journal of Solid State Chemistry","2018","262","","164","171","10.1016/j.jssc.2018.03.014","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0534","0.0551","","","","","","1.166","","","","has coordinates","263115","2021-03-18","10:14:44",""
"1561109","22.59404","0.0002","14.31168","0.00011","24.5365","0.0002","90","","99.5912","0.0009","90","","7823.18","0.11","107.43","0.1","107.43","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H13.5 N3 O15 Yb2 -","- C24.5 H13.5 N3 O15 Yb2 -","- C196 H108 N24 O120 Yb16 -","8","1","","Xin, Xuelian; Zhang, Minghui; Ji, Shijie; Dong, Hanxiao; Zhang, Liangliang","A luminescent ytterbium(III)-organic framework for highly selective sensing of 2,4,6-trinitrophenol","Journal of Solid State Chemistry","2018","262","","186","190","10.1016/j.jssc.2018.03.007","","x-ray","1.54184","CuKα","","0.0534","0.053","","","0.1477","0.1478","","","","","","1.233","","","","has coordinates","263116","2021-03-18","10:21:15",""
"1561110","13.1468","0.0004","8.31308","0.00015","9.0659","0.0003","90","","105.466","0.003","90","","954.94","0.05","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 Pb S -","- C7 H8 O5 Pb S -","- C28 H32 O20 Pb4 S4 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0302","0.0254","","","0.055","0.0567","","","","","","1.098","","","","has coordinates","263117","2021-03-18","10:27:55",""
"1561111","10.0809","0.0002","22.2662","0.0005","16.1072","0.0003","90","","105.97","0.002","90","","3475.94","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 O23 Pb4 S4 -","- C18 H26 O23 Pb4 S4 -","- C72 H104 O92 Pb16 S16 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0717","0.045","","","0.0816","0.0941","","","","","","1.032","","","","has coordinates","263117","2021-03-18","10:28:07",""
"1561112","5.4453","0.0005","7.1465","0.0004","12.7222","0.0012","89.616","0.006","87.529","0.008","75.14","0.007","478.07","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H5 N O7 Pb S -","- C6 H5 N O7 Pb S -","- C12 H10 N2 O14 Pb2 S2 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0615","0.0574","","","0.1356","0.1391","","","","","","1.06","","","","has coordinates","263117","2021-03-18","10:28:12",""
"1561113","7.7739","0.0003","9.8364","0.0004","17.4146","0.0005","90","","93.14","0.003","90","","1329.65","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Br O10 Pb S2 -","- C6 H9 Br O10 Pb S2 -","- C24 H36 Br4 O40 Pb4 S8 -","4","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0634","0.0459","","","0.0912","0.0995","","","","","","1.017","","","","has coordinates","263117","2021-03-18","10:28:25",""
"1561114","7.5998","0.0007","9.1035","0.0009","9.9053","0.0009","70.509","0.008","75.501","0.008","77.62","0.008","618.99","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 O10 Pb S -","- C7 H12 O10 Pb S -","- C14 H24 O20 Pb2 S2 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.033","0.0301","","","0.0641","0.0658","","","","","","1.014","","","","has coordinates","263117","2021-03-18","10:28:37",""
"1561115","8.417","0.0004","8.699","0.0004","12.2865","0.0007","98.376","0.004","100.877","0.004","106.094","0.004","829.93","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H17 N O11 Pb S -","- C10 H17 N O11 Pb S -","- C20 H34 N2 O22 Pb2 S2 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0347","0.0315","","","0.0742","0.0762","","","","","","1.053","","","","has coordinates","263117","2021-03-18","10:28:39",""
"1561116","6.8147","0.0004","11.8285","0.0008","14.3617","0.0009","109.065","0.006","99.945","0.005","98.067","0.005","1053.38","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 O18 Pb S2 -","- C14 H18 O18 Pb S2 -","- C28 H36 O36 Pb2 S4 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.031","0.0272","","","0.0554","0.0572","","","","","","1.011","","","","has coordinates","263117","2021-03-18","10:28:39",""
"1561117","7.5071","0.0006","7.8198","0.0006","9.5851","0.0007","77.311","0.006","77.716","0.006","89.372","0.006","536","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 O9 Pb S -","- C7 H8 O9 Pb S -","- C14 H16 O18 Pb2 S2 -","2","1","","Huang, Guo-Zhen; Zou, Xin; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Syntheses and characterizations of secondary Pb‒O bonding supported Pb(II)-sulfonate complexes","Journal of Solid State Chemistry","2018","262","","214","223","10.1016/j.jssc.2018.03.025","","","0.71073","MoKα","","0.0429","0.0381","","","0.0807","0.0838","","","","","","1.012","","","","has coordinates","263117","2021-03-18","10:28:40",""
"1561118","12.441","0.003","12.489","0.004","12.8","0.004","108.622","0.003","99.191","0.003","101.003","0.003","1797.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H24 N2 O15 Zn3 -","- C40 H24 N2 O15 Zn3 -","- C80 H48 N4 O30 Zn6 -","2","1","","Wu, Yu; Li, Yulong; Wu, Xiren; Luo, Miaomiao; Zou, Like; Xu, Qiuxia; Cai, Shaoge","An uncommon 3D (3,8)-connected metal-organic framework: Luminescence sensing and photocatalytic properties","Journal of Solid State Chemistry","2018","262","","256","263","10.1016/j.jssc.2018.03.031","","","0.71073","MoKα","","0.0671","0.0452","","","0.1079","0.1174","","","","","","1.011","","","","has coordinates","263118","2021-03-18","10:35:26",""
"1561119","8.33","0.003","8.52","0.003","8.635","0.003","90","","90","","90","","612.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li O9 P3 Zn -","- Li O9 P3 Zn -","- Li4 O36 P12 Zn4 -","4","1","","Xie, Zhiqing; Su, Xin; Ding, Hanqin; Li, Hongyi","Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications","Journal of Solid State Chemistry","2018","262","","313","319","10.1016/j.jssc.2018.03.032","","","0.71073","MoKα","","0.0276","0.0262","","","0.065","0.0658","","","","","","1.122","","","","has coordinates","263119","2021-03-18","10:40:50",""
"1561120","14.147","0.0012","6.8149","0.0005","10.2462","0.0008","90","","103.116","0.008","90","","962.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd7 H2 O22 P4 Se2 -","- Cd7 H2 O22 P4 Se2 -","- Cd14 H4 O44 P8 Se4 -","2","0.5","","Ma, Yun-Xiang; Gong, Ya-Ping; Hu, Chun-li; Mao, Jiang-Gao; Kong, Fang","Three new d10 transition metal selenites containing PO4 tetrahedron: Cd7(HPO4)2(PO4)2(SeO3)2, Cd6(PO4)1.34(SeO3)4.66 and Zn3(HPO4)(SeO3)2(H2O)","Journal of Solid State Chemistry","2018","262","","320","326","10.1016/j.jssc.2018.03.033","","","0.71073","MoKα","","0.0308","0.0269","","","0.0668","0.0695","","","","","","1.083","","","","has coordinates","263120","2021-03-18","10:46:01",""
"1561121","8.2804","0.0006","12.2295","0.0007","9.5019","0.0008","90","","107.979","0.008","90","","915.23","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd6 H0 O19.34 P1.34 Se4.66 -","- Cd6 O19.346 P1.346 Se4.654 -","- Cd12 O38.692 P2.692 Se9.308 -","2","0.5","","Ma, Yun-Xiang; Gong, Ya-Ping; Hu, Chun-li; Mao, Jiang-Gao; Kong, Fang","Three new d10 transition metal selenites containing PO4 tetrahedron: Cd7(HPO4)2(PO4)2(SeO3)2, Cd6(PO4)1.34(SeO3)4.66 and Zn3(HPO4)(SeO3)2(H2O)","Journal of Solid State Chemistry","2018","262","","320","326","10.1016/j.jssc.2018.03.033","","","0.71073","MoKα","","0.0219","0.0193","","","0.0453","0.0466","","","","","","1.039","","","","has coordinates,has disorder","263120","2021-03-18","10:46:01",""
"1561122","7.8648","0.0006","8.0682","0.0006","8.8456","0.0007","65.835","0.007","68.629","0.007","69.545","0.007","463.46","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H3 O11 P Se2 Zn3 -","- H3 O11 P Se2 Zn3 -","- H6 O22 P2 Se4 Zn6 -","2","1","","Ma, Yun-Xiang; Gong, Ya-Ping; Hu, Chun-li; Mao, Jiang-Gao; Kong, Fang","Three new d10 transition metal selenites containing PO4 tetrahedron: Cd7(HPO4)2(PO4)2(SeO3)2, Cd6(PO4)1.34(SeO3)4.66 and Zn3(HPO4)(SeO3)2(H2O)","Journal of Solid State Chemistry","2018","262","","320","326","10.1016/j.jssc.2018.03.033","","","0.71073","MoKα","","0.0494","0.0441","","","0.1156","0.1217","","","","","","1.068","","","","has coordinates","263120","2021-03-18","10:46:01",""
"1561123","9.177","0.0018","8.775","0.0018","6.855","0.0014","90","","93.13","0.03","90","","551.2","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Mn N6 O6 -","- C6 H8 Mn N6 O6 -","- C12 H16 Mn2 N12 O12 -","2","0.5","","Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si","Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties","Journal of Solid State Chemistry","2018","262","","351","359","10.1016/j.jssc.2018.03.035","","","0.72","synchrotron","","0.0427","0.0372","","","0.1308","0.1466","","","","","","1.041","","","","has coordinates","263121","2021-03-18","10:50:12",""
"1561124","7.1596","0.0007","10.2117","0.001","10.5182","0.0011","90","","95.256","0.001","90","","765.77","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Mn N3 O6 -","- C4 H5 Mn N3 O6 -","- C16 H20 Mn4 N12 O24 -","4","1","","Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si","Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties","Journal of Solid State Chemistry","2018","262","","351","359","10.1016/j.jssc.2018.03.035","","","0.71073","MoKα","","0.0306","0.0242","","","0.059","0.062","","","","","","1.074","","","","has coordinates","263122","2021-03-18","10:51:16",""
"1561125","26.6","0.003","26.6","0.003","26.6","0.003","90","","90","","90","","18821","4","100","2","100","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C27 H42 Mn3 N18 O9 -","- C27 H39 Mn3 N18 O7 -","- C432 H624 Mn48 N288 O112 -","16","0.166667","","Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si","Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties","Journal of Solid State Chemistry","2018","262","","351","359","10.1016/j.jssc.2018.03.035","","","0.72","synchrotron","","0.1109","0.1022","","","0.3079","0.3246","","","","","","1.52","","","","has coordinates","263123","2021-03-18","10:56:25",""
"1561126","9.6963","0.0002","11.6117","0.0003","11.6365","0.0003","85.406","0.001","89.37","0.001","75.167","0.001","1262.37","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 Mn2 N6 O15 -","- C17 H26 Mn2 N6 O15 -","- C34 H52 Mn4 N12 O30 -","2","1","","Yan, Juan-zhi; Lu, Li-ping; Zhu, Miao-li; Feng, Si-si","Self-assembly of novel manganese (II) compounds based on bifunctional-group ligands: Synthesis, structures, and magnetic properties","Journal of Solid State Chemistry","2018","262","","351","359","10.1016/j.jssc.2018.03.035","","","0.71073","MoKα","","0.0714","0.042","","","0.0943","0.1047","","","","","","1.002","","","","has coordinates","263124","2021-03-18","10:57:35",""
"1561135","23.712","0.008","19.929","0.007","9.45","0.004","90","","90","","90","","4466","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H40 Cd5 N9 O28 P3 S2 -","- C24 H16 Cd5 N9 O28 P3 S2 -","- C96 H64 Cd20 N36 O112 P12 S8 -","4","0.5","","Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates","Journal of Solid State Chemistry","2018","261","","9","15","10.1016/j.jssc.2018.02.005","","","0.71073","MoKα","","0.1101","0.0824","","","0.1915","0.1991","","","","","","1.229","","","","has coordinates","263159","2021-03-19","07:59:55",""
"1561136","7.7388","0.001","9.3438","0.0012","9.9987","0.0013","91.086","0.002","102.024","0.002","109.678","0.002","662.72","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Cd3 Cl2 N6 O12 P2 -","- C16 H24 Cd3 Cl2 N6 O12 P2 -","- C16 H24 Cd3 Cl2 N6 O12 P2 -","1","0.5","","Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates","Journal of Solid State Chemistry","2018","261","","9","15","10.1016/j.jssc.2018.02.005","","","0.71073","MoKα","","0.0464","0.0328","","","0.1131","0.1742","","","","","","0.999","","","","has coordinates","263160","2021-03-19","08:01:04",""
"1561137","6.883","0.002","24.234","0.008","15.962","0.005","90","","97.404","0.004","90","","2640.3","1.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cd4 Cl N6 O13 P2 S -","- C16 H15 Cd4 Cl N6 O13 P2 S -","- C64 H60 Cd16 Cl4 N24 O52 P8 S4 -","4","1","","Hu, Han; Zhai, Fupeng; Liu, Xiaofeng; Ling, Yun; Chen, Zhenxia; Zhou, Yaming","Hydrothermal syntheses and anion-induced structural transformation of three Cadmium phosphonates","Journal of Solid State Chemistry","2018","261","","9","15","10.1016/j.jssc.2018.02.005","","","0.71073","MoKα","","0.056","0.0474","","","0.2067","0.2133","","","","","","0.996","","","","has coordinates","263161","2021-03-19","08:02:48",""
"1561138","14.0139","0.0007","16.7666","0.0006","16.8339","0.0009","62.636","0.005","80.488","0.004","80.348","0.004","3445.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Co4 N6 O21 S2 -","- C64 H60 Co4 N6 O21 S2 -","- C128 H120 Co8 N12 O42 S4 -","2","1","","Zhang, Chong; Xiao, Yu; Qin, Yan; Sun, Quanchun; Zhang, Shuhua","A novel highly efficient adsorbent {[Co4(L)2(μ3-OH)2(H2O)3(4,4′-bipy)2]·(H2O)2}n: Synthesis, crystal structure, magnetic and arsenic (V) absorption capacity","Journal of Solid State Chemistry","2018","261","","22","30","10.1016/j.jssc.2018.02.012","","x-ray","0.71073","MoKα","","0.0782","0.0503","","","0.1133","0.1337","","","","","","1.068","","","","has coordinates,has disorder","263162","2021-03-19","08:09:54",""
"1561139","16.846","0.003","4.727","0.0009","18.196","0.004","90","","101.05","0.03","90","","1422.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cd N2 O6 -","- C17 H10 Cd N2 O6 -","- C68 H40 Cd4 N8 O24 -","4","1","","Li, Fen-Fang; Zhu, Miao-Li; Lu, Li-Ping","A luminescent Cd(II)-based metal−organic framework for detection of Fe(III) ions in aqueous solution","Journal of Solid State Chemistry","2018","261","","31","36","10.1016/j.jssc.2018.02.006","","","0.72","synchrotron","","0.0981","0.0843","","","0.2416","0.257","","","","","","1.109","","","","has coordinates,has disorder","263163","2021-03-19","08:13:48",""
"1561140","13.563","0.0006","13.5719","0.0006","13.6512","0.0006","93.044","0.001","110.683","0.001","108.354","0.001","2192.77","0.17","293","2","293.15","","","","","","","","","6","P 1","P 1","1","","","","- C78 H92 Co3 N12 O33 P2 -","- C78 H92 Co3 N12 O33 P2 -","- C78 H92 Co3 N12 O33 P2 -","1","1","","Huo, Liangqin; Fan, Liming; Zhang, Jie; Gao, Lingling; Zhai, Lijun; Wang, Xiaoqing; Hu, Tuoping","Three novel coordination polymers based on tris(p-carboxyphenyl)phosphane oxide: Syntheses, structural characterization and magnetic properties","Journal of Solid State Chemistry","2018","261","","37","42","10.1016/j.jssc.2018.02.007","","","0.71076","MoKα","","0.1063","0.0605","","","0.1117","0.1286","","","","","","1.009","","","","has coordinates","263164","2021-03-19","08:22:49",""
"1561141","9.5121","0.0004","13.705","0.0005","24.3437","0.0009","90","","98.275","0.001","90","","3140.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 Co N4 O8 P -","- C33 H25 Co N4 O8 P -","- C132 H100 Co4 N16 O32 P4 -","4","1","","Huo, Liangqin; Fan, Liming; Zhang, Jie; Gao, Lingling; Zhai, Lijun; Wang, Xiaoqing; Hu, Tuoping","Three novel coordination polymers based on tris(p-carboxyphenyl)phosphane oxide: Syntheses, structural characterization and magnetic properties","Journal of Solid State Chemistry","2018","261","","37","42","10.1016/j.jssc.2018.02.007","","","0.71073","MoKα","","0.0555","0.0458","","","0.1135","0.1207","","","","","","1.055","","","","has coordinates,has disorder","263165","2021-03-19","08:24:03",""
"1561142","14.8968","0.0009","26.9699","0.0017","13.282","0.0008","90","","105.351","0.002","90","","5145.9","0.5","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H70 Co3 N12 O16 P2 -","- C96 H70 Co3 N12 O16 P2 -","- C192 H140 Co6 N24 O32 P4 -","2","0.5","","Huo, Liangqin; Fan, Liming; Zhang, Jie; Gao, Lingling; Zhai, Lijun; Wang, Xiaoqing; Hu, Tuoping","Three novel coordination polymers based on tris(p-carboxyphenyl)phosphane oxide: Syntheses, structural characterization and magnetic properties","Journal of Solid State Chemistry","2018","261","","37","42","10.1016/j.jssc.2018.02.007","","","0.71073","MoKα","","0.1633","0.0793","","","0.1769","0.2175","","","","","","1.029","","","","has coordinates","263166","2021-03-19","08:26:30",""
"1561143","8.2675","0.0003","8.2675","0.0003","14.0576","0.0005","90","","90","","120","","832.13","0.05","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O13 -","- C8 H6 Cr Mn N0.9999 O13.0002 -","- C16 H12 Cr2 Mn2 N1.9998 O26.0004 -","2","0.166667","","Mączka, Mirosław; Janczak, Jan; Hermanowicz, Krzysztof; Pikul, Adam; Hanuza, Jerzy","Magnetic, optical and phonon properties of novel heterometallic formates [NH3CH2CH2OH][MIIIMII(HCOO)6] (MIII = Fe, Cr; MII = Mn, Ni, Co)","Journal of Solid State Chemistry","2018","260","","7","15","10.1016/j.jssc.2017.12.017","","","0.71073","MoKα","","0.0273","0.0235","","","0.0451","0.0465","","","","","","1.001","","","","has coordinates","263167","2021-03-19","08:35:36",""
"1561144","8.2876","0.0005","8.2876","0.0005","14.1138","0.0008","90","","90","","120","","839.52","0.09","295","2","295","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Mn N O13 -","- C8 H6 Cr Mn N0.9999 O13.0002 -","- C16 H12 Cr2 Mn2 N1.9998 O26.0004 -","2","0.166667","","Mączka, Mirosław; Janczak, Jan; Hermanowicz, Krzysztof; Pikul, Adam; Hanuza, Jerzy","Magnetic, optical and phonon properties of novel heterometallic formates [NH3CH2CH2OH][MIIIMII(HCOO)6] (MIII = Fe, Cr; MII = Mn, Ni, Co)","Journal of Solid State Chemistry","2018","260","","7","15","10.1016/j.jssc.2017.12.017","","","0.71073","MoKα","","0.0436","0.0327","","","0.0745","0.0811","","","","","","1.001","","","","has coordinates","263168","2021-03-19","08:37:07",""
"1561145","18.7309","0.0016","18.7309","0.0016","34.235","0.003","90","","90","","120","","10402","1.6","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C28 H17 Cu2 N O10 -","- C28 H17 Cu2 N O10 -","- C168 H102 Cu12 N6 O60 -","6","0.5","","Duan, Xing; Zhou, You; Lv, Ran; Yu, Ben; Chen, Haodong; Ji, Zhenguo; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A new metal-organic framework for separation of C2H2/CH4 and CO2/CH4 at room temperature","Journal of Solid State Chemistry","2018","260","","31","33","10.1016/j.jssc.2018.01.002","","","0.71073","MoKα","","0.0927","0.0479","","","0.1136","0.1192","","","","","","1.032","","","","has coordinates,has disorder","263169","2021-03-19","08:49:28",""
"1561146","6.9363","0.0004","15.8784","0.0008","9.6053","0.0005","90","","110.77","0.005","90","","989.15","0.1","294.1","0.3","294.1","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B2 O10 Pb4 S -","- B2 O10 Pb4 S -","- B8 O40 Pb16 S4 -","4","1","","Ruan, Ting-Ting; Wang, Wen-Wen; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4): New lead(II) borate-sulfate mixed-anion compounds with two types of 3D network structures","Journal of Solid State Chemistry","2018","260","","39","45","10.1016/j.jssc.2018.01.013","","x-ray","0.71073","MoKα","","0.0258","0.0225","","","0.0474","0.0487","","","","","","1.03","","","","has coordinates","263170","2021-03-19","08:55:26",""
"1561147","6.9817","0.0012","5.3917","0.0008","8.1666","0.0019","90","","98.643","0.019","90","","303.93","0.1","293","2","293.2","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B H O7 Pb2 S -","- B H O7 Pb2 S -","- B2 H2 O14 Pb4 S2 -","2","0.5","","Ruan, Ting-Ting; Wang, Wen-Wen; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao","Pb4(BO3)2(SO4) and Pb2[(BO2)(OH)](SO4): New lead(II) borate-sulfate mixed-anion compounds with two types of 3D network structures","Journal of Solid State Chemistry","2018","260","","39","45","10.1016/j.jssc.2018.01.013","","x-ray","0.71073","MoKα","","0.0408","0.0355","","","0.0838","0.0878","","","","","","1.023","","","","has coordinates","263170","2021-03-19","08:55:27",""
"1561148","11.399","0.002","22.654","0.004","11.504","0.002","90","","104.324","0.003","90","","2878.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Cu Fe2 N16 O8 -","- C50 H56 Cu Fe2 N16 O8 -","- C100 H112 Cu2 Fe4 N32 O16 -","2","0.5","","Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng","A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2018","260","","59","66","10.1016/j.jssc.2018.01.017","","","0.71073","MoKα","","0.0682","0.0473","","","0.1357","0.1553","","","","","","1.059","","","","has coordinates,has disorder","263171","2021-03-19","09:03:09",""
"1561149","9.8112","0.0008","13.2169","0.0011","13.9117","0.0011","77.934","0.001","77.181","0.001","85.155","0.002","1718.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Cl Cu Fe N10 O7 -","- C30 H38 Cl Cu Fe N10 O7 -","- C60 H76 Cl2 Cu2 Fe2 N20 O14 -","2","1","","Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng","A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2018","260","","59","66","10.1016/j.jssc.2018.01.017","","","0.71073","MoKα","","0.0746","0.0519","","","0.1237","0.1403","","","","","","1.02","","","","has coordinates","263171","2021-03-19","09:03:10",""
"1561150","15.514","0.005","13.431","0.004","13.041","0.004","90","","91.312","0.006","90","","2716.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cu Fe2 N16 O8 -","- C52 H60 Cu Fe2 N16 O8 -","- C104 H120 Cu2 Fe4 N32 O16 -","2","0.5","","Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng","A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2018","260","","59","66","10.1016/j.jssc.2018.01.017","","","0.71073","MoKα","","0.1068","0.0853","","","0.2204","0.2348","","","","","","1.086","","","","has coordinates","263171","2021-03-19","09:03:10",""
"1561151","15.732","0.005","13.543","0.004","12.96","0.004","90","","91.5","0.005","90","","2760.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl2 Cu Fe2 N16 O8 -","- C50 H54 Cl2 Cu Fe2 N16 O8 -","- C100 H108 Cl4 Cu2 Fe4 N32 O16 -","2","0.5","","Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng","A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2018","260","","59","66","10.1016/j.jssc.2018.01.017","","","0.71073","MoKα","","0.1071","0.0641","","","0.1564","0.1801","","","","","","1.012","","","","has coordinates,has disorder","263171","2021-03-19","09:03:11",""
"1561152","9.9402","0.0015","13.2356","0.0019","15.566","0.002","76.943","0.002","73.007","0.002","80.296","0.002","1896.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H48 Cl Cu Fe N10 O8 -","- C34 H40 Cl Cu Fe N10 O8 -","- C68 H80 Cl2 Cu2 Fe2 N20 O16 -","2","1","","Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng","A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties","Journal of Solid State Chemistry","2018","260","","59","66","10.1016/j.jssc.2018.01.017","","","0.71073","MoKα","","0.0601","0.05","","","0.1452","0.1558","","","","","","1.034","","","","has coordinates","263171","2021-03-19","09:03:11",""
"1561153","6.5676","0.0003","8.7871","0.0004","6.9504","0.0003","90","","113.021","0.001","90","","369.17","0.03","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.8 Ce0.2 O5 Si V -","- Ca0.8 Ce0.2 O5 Si V -","- Ca3.2 Ce0.8 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0248","0.0247","","","0.082","0.0821","","","","","","1.227","","","","has coordinates","263172","2021-03-19","09:11:53",""
"1561154","6.5727","0.0003","8.7978","0.0004","6.9423","0.0003","90","","112.901","0.0017","90","","369.8","0.03","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.75 O5 Pr0.25 Si V -","- Ca0.7529 O5 Pr0.2471 Si V -","- Ca3.0116 O20 Pr0.9884 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0313","0.0229","","","0.0679","0.0709","","","","","","1.11","","","","has coordinates","263173","2021-03-19","09:13:31",""
"1561155","6.5633","0.0004","8.7999","0.0005","6.9335","0.0004","90","","112.803","0.0016","90","","369.16","0.04","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.69 Nd0.31 O5 Si V -","- Ca0.6849 Nd0.3151 O5 Si V -","- Ca2.7396 Nd1.2604 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0211","0.0196","","","0.0537","0.0543","","","","","","1.143","","","","has coordinates","263174","2021-03-19","09:15:09",""
"1561156","6.5572","0.0019","8.776","0.003","6.9362","0.0019","90","","112.869","0.009","90","","367.78","0.19","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.74 O5 Si Sm0.26 V -","- Ca0.743 O5 Si Sm0.257 V -","- Ca2.972 O20 Si4 Sm1.028 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0392","0.028","","","0.0763","0.0793","","","","","","1.215","","","","has coordinates","263175","2021-03-19","09:17:43",""
"1561157","6.5554","0.0002","8.7739","0.0003","6.933","0.0003","90","","112.884","0.0012","90","","367.38","0.02","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.72 Eu0.28 O5 Si V -","- Ca0.722 Eu0.278 O5 Si V -","- Ca2.888 Eu1.112 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0273","0.0218","","","0.0656","0.0681","","","","","","1.154","","","","has coordinates","263176","2021-03-19","09:19:28",""
"1561158","6.5371","0.0003","8.7503","0.0004","6.9234","0.0004","90","","112.962","0.0018","90","","364.65","0.03","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.72 Gd0.28 O5 Si V -","- Ca0.718 Gd0.282 O5 Si V -","- Ca2.872 Gd1.128 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0383","0.029","","","0.0641","0.0663","","","","","","1.202","","","","has coordinates","263177","2021-03-19","09:20:57",""
"1561159","6.5388","0.0004","8.7543","0.0005","6.9273","0.0004","90","","112.924","0.0013","90","","365.22","0.04","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 O5 Si Tb0.32 V -","- Ca0.6828 O5 Si Tb0.3172 V -","- Ca2.7312 O20 Si4 Tb1.2688 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0416","0.0302","","","0.0595","0.062","","","","","","1.204","","","","has coordinates","263178","2021-03-19","09:22:31",""
"1561160","6.5254","0.0007","8.7317","0.001","6.9253","0.0008","90","","112.994","0.002","90","","363.24","0.07","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.67 Dy0.33 O5 Si V -","- Ca0.6652 Dy0.3348 O5 Si V -","- Ca2.6608 Dy1.3392 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0333","0.0268","","","0.0508","0.052","","","","","","1.357","","","","has coordinates","263179","2021-03-19","09:23:56",""
"1561161","6.5162","0.0002","8.722","0.0003","6.9187","0.0004","90","","113.028","0.0007","90","","361.89","0.03","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.67 Ho0.33 O5 Si V -","- Ca0.6735 Ho0.3265 O5 Si V -","- Ca2.694 Ho1.306 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0237","0.0221","","","0.0513","0.0518","","","","","","1.287","","","","has coordinates","263180","2021-03-19","09:25:28",""
"1561162","6.5146","0.0003","8.7129","0.0004","6.9208","0.0004","90","","113.073","0.0011","90","","361.41","0.03","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.71 Er0.29 O5 Si V -","- Ca0.7055 Er0.2945 O5 Si V -","- Ca2.822 Er1.178 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0325","0.0219","","","0.0472","0.0504","","","","","","1.106","","","","has coordinates","263181","2021-03-19","09:27:07",""
"1561163","6.512","0.0015","8.7116","0.0019","6.919","0.002","90","","113.037","0.006","90","","361.21","0.16","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 O5 Si Tm0.32 V -","- Ca0.6807 O5 Si Tm0.3193 V -","- Ca2.7228 O20 Si4 Tm1.2772 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0309","0.0277","","","0.057","0.0579","","","","","","1.308","","","","has coordinates","263182","2021-03-19","09:28:41",""
"1561164","6.5002","0.0009","8.6973","0.0011","6.914","0.001","90","","113.039","0.003","90","","359.7","0.09","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 O5 Si V Yb0.32 -","- Ca0.6792 O5 Si V Yb0.3208 -","- Ca2.7168 O20 Si4 V4 Yb1.2832 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0258","0.0214","","","0.048","0.0491","","","","","","1.141","","","","has coordinates","263183","2021-03-19","09:30:16",""
"1561165","6.5081","0.0003","8.6981","0.0004","6.9171","0.0004","90","","113.106","0.0019","90","","360.15","0.03","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.73 Lu0.27 O5 Si V -","- Ca0.7298 Lu0.2702 O5 Si V -","- Ca2.9192 Lu1.0808 O20 Si4 V4 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.033","0.0252","","","0.0504","0.0537","","","","","","1.095","","","","has coordinates","263184","2021-03-19","09:31:46",""
"1561166","6.5179","0.0007","8.7268","0.0009","6.9197","0.001","90","","113.012","0.002","90","","362.27","0.08","304","2","304","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 O5 Si V Y0.32 -","- Ca0.677 O5 Si V Y0.323 -","- Ca2.708 O20 Si4 V4 Y1.292 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Morrison, Gregory; Yeon, Jeongho; zur Loye, Hans-Conrad","Facile in-situ reduction: Crystal growth and magnetic studies of reduced vanadium (III/IV) silicates CaxLn1−xVSiO5 (Ln = Ce‒Nd, Sm‒Lu, Y)","Journal of Solid State Chemistry","2018","260","","80","86","10.1016/j.jssc.2018.01.004","","","0.71073","MoKα","","0.0419","0.0288","","","0.059","0.0623","","","","","","1.139","","","","has coordinates","263185","2021-03-19","09:33:41",""
"1561167","9.7581","0.0005","6.61","0.0004","10.5127","0.0006","90","","90","","90","","678.08","0.07","293","2","293","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C2 H6 Mn O7 -","- C2 H6 Mn O7 -","- C8 H24 Mn4 O28 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","","","0.71073","MoKα","","0.0595","0.0372","","","0.0771","0.085","","","","","","0.992","","","","has coordinates","263186","2021-03-19","10:17:45",""
"1561168","11.998","0.004","5.6469","0.0006","9.985","0.003","90","","128.34","0.04","90","","530.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 Mn O6 -","- C2 H4 Mn O6 -","- C8 H16 Mn4 O24 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","","","0.71073","MoKα","","0.0881","0.0554","","","0.0894","0.0968","","","","","","1","","","","has coordinates","263186","2021-03-19","10:17:53",""
"1561169","11.939","0.005","5.6241","0.0007","9.703","0.003","90","","126.52","0.06","90","","523.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 Mn O6 -","- C2 H4 Mn O6 -","- C8 H16 Mn4 O24 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","","","0.71073","MoKα","","0.0977","0.0585","","","0.0902","0.1018","","","","","","0.994","","","","has coordinates","263186","2021-03-19","10:17:53",""
"1561170","7.1333","0.0001","5.8787","0.0001","9.0186","0.0002","90","","90","","90","","378.191","0.012","295","","293","","","","","","","","","3","P m n a","-P 2ac 2","53","manganese oxalate","catena-((μ~6~-oxalato)-(μ~4~-oxalato)-di-manganese)","","- C2 Mn O4 -","- C2 Mn O4 -","- C8 Mn4 O16 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0483","5.02","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1561171","11.9896","0.0002","5.6395","0.0001","9.978","0.0002","90","","128.329","0.001","90","","529.25","0.018","295","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","manganese oxalate dihydrate","catena-poly[[diaquamanganese(II)]-mu-oxalato}","","- C2 H4 Mn O6 -","- C2 H4 Mn O6 -","- C8 H16 Mn4 O24 -","4","0.5","","Puzan, Anna N.; Baumer, Vyacheslav N.; Lisovytskiy, Dmytro V.; Mateychenko, Pavel V.","Structure disordering and thermal decomposition of manganese oxalate dihydrate, MnC2O4·2H2O","Journal of Solid State Chemistry","2018","260","","87","94","10.1016/j.jssc.2018.01.022","powder diffraction","","1.54184","CuKα","","","","","","","","","0.0481","","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1561192","5.8858","0.0004","17.938","0.0012","7.9079","0.0005","90","","90","","90","","834.91","0.1","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La3 O8 Pb V -","- La3 O8 Pb V -","- La12 O32 Pb4 V4 -","4","0.25","","Colmont, Marie; Mentré, Olivier; Henry, Natacha; Pautrat, Alain; Leclercq, Bastien; Capet, Frédéric; Djelal, Nora; Roussel, Pascal","Undulated oxo-centered layers in PbLn3O4(VO4) (Ln= La and Nd) and relationship with Nd4O4(GeO4)","Journal of Solid State Chemistry","2018","260","","101","105","10.1016/j.jssc.2018.01.016","","x-ray","0.71073","MoKα","","0.0222","0.0192","","","0.0248","0.0252","","","","1.53","1.53","1.48","","","","has coordinates","263238","2021-03-23","08:18:36",""
"1561193","5.8708","0.0004","17.8771","0.0012","7.8989","0.0005","90","","90","","90","","829.01","0.1","100","","100","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- La3 O8 Pb V -","- La3 O8 Pb V -","- La12 O32 Pb4 V4 -","4","0.25","","Colmont, Marie; Mentré, Olivier; Henry, Natacha; Pautrat, Alain; Leclercq, Bastien; Capet, Frédéric; Djelal, Nora; Roussel, Pascal","Undulated oxo-centered layers in PbLn3O4(VO4) (Ln= La and Nd) and relationship with Nd4O4(GeO4)","Journal of Solid State Chemistry","2018","260","","101","105","10.1016/j.jssc.2018.01.016","","x-ray","0.71073","MoKα","","0.0175","0.0169","","","0.0231","0.0234","","","","1.5","1.5","1.49","","","","has coordinates","263238","2021-03-23","08:18:37",""
"1561194","12.1537","0.0006","10.0666","0.0004","11.0208","0.0005","90","","92.517","0.001","90","","1347.05","0.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N6 O5 Zn -","- C10 H10 N6 O5 Zn -","- C40 H40 N24 O20 Zn4 -","4","0.5","","Duan, Hui; Dan, Wenyan; Fang, Xiangdong","Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission","Journal of Solid State Chemistry","2018","260","","159","164","10.1016/j.jssc.2018.01.024","","","0.71073","MoKα","","0.025","0.0238","","","0.0656","0.0662","","","","","","1.188","","","","has coordinates","263239","2021-03-23","08:25:16",""
"1561195","12.4738","0.0019","9.5952","0.0014","10.5971","0.0015","90","","90.436","0.005","90","","1268.3","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N6 O4 Zn -","- C10 H8 N6 O4 Zn -","- C40 H32 N24 O16 Zn4 -","4","0.5","","Duan, Hui; Dan, Wenyan; Fang, Xiangdong","Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission","Journal of Solid State Chemistry","2018","260","","159","164","10.1016/j.jssc.2018.01.024","","","0.71073","MoKα","","0.0404","0.0328","","","0.0666","0.0696","","","","","","1.104","","","","has coordinates","263240","2021-03-23","08:26:41",""
"1561196","7.8496","0.0005","5.3514","0.0003","16.5895","0.001","90","","100.705","0.002","90","","684.74","0.07","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H12 N6 O6 Zn -","- C10 H12 N6 O6 Zn -","- C20 H24 N12 O12 Zn2 -","2","0.5","","Duan, Hui; Dan, Wenyan; Fang, Xiangdong","Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission","Journal of Solid State Chemistry","2018","260","","159","164","10.1016/j.jssc.2018.01.024","","","0.71073","MoKα","","0.0295","0.0245","","","0.062","0.0641","","","","","","1.075","","","","has coordinates","263241","2021-03-23","08:27:51",""
"1561197","3.6563","0.0003","11.7958","0.001","13.1011","0.0011","90","","94.623","0.005","90","","563.2","0.08","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C20 H20 N12 O8 -","4","1","","Duan, Hui; Dan, Wenyan; Fang, Xiangdong","Zinc-coordinated MOFs complexes regulated by hydrogen bonds: Synthesis, structure and luminescence study toward broadband white-light emission","Journal of Solid State Chemistry","2018","260","","159","164","10.1016/j.jssc.2018.01.024","","","1.54178","CuKα","","0.0705","0.0609","","","0.1644","0.1761","","","","","","1.1","","","","has coordinates","263242","2021-03-23","08:28:52",""
"1561198","10.826","0.004","10.876","0.002","13.584","0.003","98.64","0.03","99.09","0.017","100.4","0.03","1526.9","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H36 Cu3 Mo12 N8 O42 P V2 -","- C36 H24 Cu3 Mo12 N8 O42 P V2 -","- C36 H24 Cu3 Mo12 N8 O42 P V2 -","1","0.5","","Xiao, Li-Na; Zhang, Hao; Zhang, Ting-Ting; Zhang, Xiao; Cui, Xiao-Bing","Two new POMOF compounds constructed from polyoxoanions, metals and organic ligands","Journal of Solid State Chemistry","2018","259","","11","18","10.1016/j.jssc.2017.12.025","","","0.71073","MoKα","","0.0699","0.0642","","","0.1974","0.2036","","","","","","1.044","","","","has coordinates","263243","2021-03-23","08:34:38",""
"1561199","10.8609","0.0005","14.1387","0.0005","15.5971","0.0005","65.951","0.003","89.811","0.003","83.632","0.003","2171.36","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H48 Cu4 Mo10 N12 O42 P V4 -","- C68 H48 Cu4 Mo10 N12 O42 P V4 -","- C68 H48 Cu4 Mo10 N12 O42 P V4 -","1","0.5","","Xiao, Li-Na; Zhang, Hao; Zhang, Ting-Ting; Zhang, Xiao; Cui, Xiao-Bing","Two new POMOF compounds constructed from polyoxoanions, metals and organic ligands","Journal of Solid State Chemistry","2018","259","","11","18","10.1016/j.jssc.2017.12.025","","","0.71073","MoKα","","0.0677","0.0543","","","0.1396","0.1533","","","","","","1.043","","","","has coordinates","263244","2021-03-23","08:36:03",""
"1561200","15.983","0.003","6.9023","0.0012","18.329","0.003","90","","106.408","0.003","90","","1939.7","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H40 Cu F6 N10 O9 -","- C36 H40 Cu F6 N10 O9 -","- C72 H80 Cu2 F12 N20 O18 -","2","0.5","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.0638","0.0514","","","0.1187","0.1273","","","","","","1.026","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561201","20.869","0.006","11.705","0.003","14.449","0.004","90","","90","","90","","3529.5","1.7","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H28 Cu F6 N12 O8 -","- C32 H28 Cu F6 N12 O8 -","- C128 H112 Cu4 F24 N48 O32 -","4","1","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.0982","0.0616","","","0.1355","0.1564","","","","","","1.027","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561202","6.455","0.0007","20.583","0.002","37.604","0.005","90","","90","","90","","4996.2","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cu2 F6 N10 O22 S2 -","- C32 H52 Cu2 F6 N10 O22 S2 -","- C128 H208 Cu8 F24 N40 O88 S8 -","4","1","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.1118","0.0573","","","0.1195","0.1453","","","","","","1.002","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561203","9.7103","0.0006","14.7858","0.001","17.0221","0.0011","90","","97.483","0.005","90","","2423.1","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'","'lanthanum niobyl tris-dimethylsulfoxide tris-oxalate'","","- C12 H18 La Nb O16 S3 -","- C12 H18 La Nb O16 S3 -","- C48 H72 La4 Nb4 O64 S12 -","4","1","","Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E.S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May","Rare earth niobate coordination polymers","Journal of Solid State Chemistry","2018","259","","48","56","10.1016/j.jssc.2017.12.034","","","0.71075","MoKα","","0.0284","0.0262","","","0.0577","0.0583","","","","","","0.987","","","","has coordinates,has disorder","263247","2021-03-23","08:46:53",""
"1561204","25.6264","0.0011","39.0611","0.0018","48.407","0.002","90","","103.147","0.003","90","","47185","4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C252 H148 N42 O57 Tb7 -","- C252 H148 N42 O57 Tb7 -","- C2016 H1184 N336 O456 Tb56 -","8","1","","Zhu, Yuanyuan; Xia, Tifeng; Zhang, Qi; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A Eu/Tb mixed lanthanide coordination polymer with rare 2D thick layers: Synthesis, characterization and ratiometric temperature sensing","Journal of Solid State Chemistry","2018","259","","98","103","10.1016/j.jssc.2018.01.009","","","0.71073","MoKα","","0.1696","0.0823","","","0.2033","0.2659","","","","","","1.031","","","","has coordinates","263248","2021-03-23","09:03:13",""
"1561205","7.9759","0.0012","10.7082","0.0012","11.6","0.002","97.443","0.002","91.458","0.001","96.664","0.001","974.9","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H21 La N8 O12 -","- C7 H21 La N8 O12 -","- C14 H42 La2 N16 O24 -","2","1","","Guo, Meng Yue; Zhang, Xin; Zhao, Liang; Li, Yue Kang; Chen, Dian Yu; Yang, Gao Wen; Li, Qiao Yun","Regulation of deprotonation of 3,3-di(1H-tetrazol-5-yl)pentanedioic acid: Solvothermal synthesis of La(III) and heterometallic La(III)/Cu(II) compounds for ablation of A549 cells","Journal of Solid State Chemistry","2018","259","","104","109","10.1016/j.jssc.2018.01.006","","","0.71073","MoKα","","0.0242","0.0238","","","0.057","0.0574","","","","","","1.068","","","","has coordinates","263249","2021-03-23","09:11:21",""
"1561206","9.449","0.004","12.455","0.005","15.1","0.006","90","","104.403","0.004","90","","1721.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 Cu La2 N16 O22 -","- C14 H36 Cu La2 N16 O22 -","- C28 H72 Cu2 La4 N32 O44 -","2","0.5","","Guo, Meng Yue; Zhang, Xin; Zhao, Liang; Li, Yue Kang; Chen, Dian Yu; Yang, Gao Wen; Li, Qiao Yun","Regulation of deprotonation of 3,3-di(1H-tetrazol-5-yl)pentanedioic acid: Solvothermal synthesis of La(III) and heterometallic La(III)/Cu(II) compounds for ablation of A549 cells","Journal of Solid State Chemistry","2018","259","","104","109","10.1016/j.jssc.2018.01.006","","","0.71073","MoKα","","0.0282","0.0275","","","0.1222","0.1235","","","","","","1.11","","","","has coordinates","263250","2021-03-23","09:12:27",""
"1561207","7.1446","0.0014","11.535","0.002","14.236","0.003","90","","93.21","0.03","90","","1171.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N8 O5 -","- C7 H10 N8 O5 -","- C28 H40 N32 O20 -","4","1","","Guo, Meng Yue; Zhang, Xin; Zhao, Liang; Li, Yue Kang; Chen, Dian Yu; Yang, Gao Wen; Li, Qiao Yun","Regulation of deprotonation of 3,3-di(1H-tetrazol-5-yl)pentanedioic acid: Solvothermal synthesis of La(III) and heterometallic La(III)/Cu(II) compounds for ablation of A549 cells","Journal of Solid State Chemistry","2018","259","","104","109","10.1016/j.jssc.2018.01.006","","","0.71073","MoKα","","0.1258","0.0751","","","0.1692","0.1933","","","","","","1.088","","","","has coordinates","263251","2021-03-23","09:13:32",""
"1561208","8.5603","0.0003","9.6084","0.0007","11.9756","0.0009","109.478","0.007","103.355","0.004","92.462","0.004","895.76","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cu0.5 F2 N4 O3 -","- C18 H16 Cu0.5 F2 N4 O3 -","- C36 H32 Cu F4 N8 O6 -","2","1","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0634","0.0572","","","0.1747","0.1836","","","","","","1.072","","","","has coordinates","263252","2021-03-23","09:24:25",""
"1561209","7.0597","0.0013","7.4506","0.0011","7.612","0.0008","85.291","0.01","78.141","0.012","81.338","0.014","386.83","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cu F4 N4 O4 -","- C14 H8 Cu F4 N4 O4 -","- C14 H8 Cu F4 N4 O4 -","1","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0424","0.037","","","0.0814","0.0857","","","","","","1.091","","","","has coordinates","263252","2021-03-23","09:24:35",""
"1561210","10.7421","0.0007","21.7013","0.0015","17.7109","0.0012","90","","90","","90","","4128.7","0.5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C40 H41 Cu F4 N8 O7 -","- C40 H41 Cu F4 N8 O7 -","- C160 H164 Cu4 F16 N32 O28 -","4","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0609","0.0494","","","0.1486","0.1578","","","","","","1.076","","","","has coordinates","263252","2021-03-23","09:24:35",""
"1561211","19.0611","0.0009","23.7425","0.0011","27.1964","0.0011","90","","90","","90","","12308","1","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C28 H30 Cu F4 N8 O6 -","- C28 H30 Cu F4 N8 O6 -","- C448 H480 Cu16 F64 N128 O96 -","16","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0803","0.0643","","","0.1919","0.21","","","","","","1.074","","","","has coordinates","263252","2021-03-23","09:24:35",""
"1561212","8.6873","0.0008","11.049","0.0008","11.3581","0.0007","91.465","0.005","94.945","0.006","108.08","0.007","1030.95","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Cu F4 N8 O12 -","- C36 H44 Cu F4 N8 O12 -","- C36 H44 Cu F4 N8 O12 -","1","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0873","0.0558","","","0.1148","0.1346","","","","","","1.043","","","","has coordinates","263252","2021-03-23","09:24:35",""
"1561213","10.005","0.0008","11.372","0.0007","12.5756","0.0005","69.022","0.005","74.409","0.005","77.635","0.006","1275.71","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cu F4 N12 O10 -","- C50 H54 Cu F4 N12 O10 -","- C50 H54 Cu F4 N12 O10 -","1","0.5","","Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei","Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties","Journal of Solid State Chemistry","2018","258","","24","31","10.1016/j.jssc.2017.10.002","","","0.71073","MoKα","","0.0536","0.0396","","","0.0889","0.097","","","","","","1.03","","","","has coordinates","263252","2021-03-23","09:24:35",""
"1561214","28.277","0.006","13.611","0.003","15.438","0.003","90","","112.7","0.03","90","","5481","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H22 N10 O14 Zn3 -","- C50 H22 N10 O14 Zn3 -","- C200 H88 N40 O56 Zn12 -","4","0.5","","Ma, Bing; Xu, Jianing; Qi, Hui; Sun, Jing; Chai, Juan; Jia, Jia; Jing, Shubo; Fan, Yong; Wang, Li","Two 3D metal−organic frameworks as multi-functional materials to detect Fe3+ ions and nitroaromatic explosives and to encapsulate Ln3+ ions for white-light emission","Journal of Solid State Chemistry","2018","258","","42","48","10.1016/j.jssc.2017.09.020","","","0.71073","MoKα","","0.1448","0.0784","","","0.1471","0.1706","","","","","","1.016","","","","has coordinates","263253","2021-03-23","09:29:54",""
"1561215","28.671","0.003","13.7799","0.0016","15.689","0.002","90","","112.169","0.004","90","","5740.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H24 Cd3 N8 O14 -","- C44 H24 Cd3 N8 O14 -","- C176 H96 Cd12 N32 O56 -","4","0.5","","Ma, Bing; Xu, Jianing; Qi, Hui; Sun, Jing; Chai, Juan; Jia, Jia; Jing, Shubo; Fan, Yong; Wang, Li","Two 3D metal−organic frameworks as multi-functional materials to detect Fe3+ ions and nitroaromatic explosives and to encapsulate Ln3+ ions for white-light emission","Journal of Solid State Chemistry","2018","258","","42","48","10.1016/j.jssc.2017.09.020","","","0.71073","MoKα","","0.0539","0.0454","","","0.1259","0.1308","","","","","","1.05","","","","has coordinates","263253","2021-03-23","09:29:54",""
"1561217","18.91","0.004","11.795","0.002","21.01","0.004","90","","115.2","0.03","90","","4240.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N3 O7.5 Zn2 -","- C18 H11 N3 O7.5 Zn2 -","- C144 H88 N24 O60 Zn16 -","8","1","","Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties","Journal of Solid State Chemistry","2018","258","","56","63","10.1016/j.jssc.2017.09.023","","","0.71073","MoKα","","0.0707","0.0509","","","0.1429","0.1531","","","","","","1.1","","","","has coordinates","263256","2021-03-23","09:48:11",""
"1561218","14.932","0.003","17.072","0.003","21.282","0.004","90","","90","","90","","5425.2","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Co2 N3 O13.5 -","- C18 H13 Co2 N3 O8 -","- C144 H104 Co16 N24 O64 -","8","1","","Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties","Journal of Solid State Chemistry","2018","258","","56","63","10.1016/j.jssc.2017.09.023","","","0.71073","MoKα","","0.0433","0.0319","","","0.0725","0.0754","","","","","","1.069","","","","has coordinates","263256","2021-03-23","09:48:11",""
"1561219","8.6285","0.0017","15.218","0.003","15.538","0.003","90","","103.24","0.03","90","","1986","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cu2 N3 O6 -","- C18 H11 Cu2 N3 O6 -","- C72 H44 Cu8 N12 O24 -","4","1","","Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties","Journal of Solid State Chemistry","2018","258","","56","63","10.1016/j.jssc.2017.09.023","","","0.71073","MoKα","","0.1293","0.0756","","","0.1987","0.238","","","","","","1.067","","","","has coordinates,has disorder","263256","2021-03-23","09:48:11",""
"1561220","22.2774","0.0012","15.8024","0.0007","16.8678","0.0009","90","","130.949","0.005","90","","4485","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Cl Eu N3 O4 -","- C24 H17 Cl Eu N3 O4 -","- C192 H136 Cl8 Eu8 N24 O32 -","8","1","","Chen, Chen; Zhang, Xiaolei; Gao, Peng; Hu, Ming","A water stable europium coordination polymer as fluorescent sensor for detecting Fe3+, CrO42-, and Cr2O72- ions","Journal of Solid State Chemistry","2018","258","","86","92","10.1016/j.jssc.2017.10.004","","","1.54178","CuKα","","0.0999","0.0703","","","0.2055","0.2328","","","","","","1.032","","","","has coordinates","263257","2021-03-23","10:33:48",""
"1561221","12.534","0.003","6.5368","0.0013","8.5337","0.0017","90","","90","","90","","699.2","0.3","291","2","291","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H12 N10 O4 Zn -","- C8 H12 N10 O4 Zn -","- C16 H24 N20 O8 Zn2 -","2","0.5","","Zhai, Chun; Yang, Zhan Yong; Xu, Duo; Wang, Zhi Kang; Hao, Xin Yu; Shi, Yu Jie; Yang, Gao Wen; Li, Qiao Yun","pH dependent synthesis of two zinc(II) compounds derived from 5-aminotetrazole-1-isopropanoic acid for treatment of cancer cells","Journal of Solid State Chemistry","2018","258","","156","162","10.1016/j.jssc.2017.10.013","","","0.71073","MoKα","","0.0305","0.0297","","","0.0809","0.0815","","","","","","1.003","","","","has coordinates","263258","2021-03-23","10:41:16",""
"1561222","10.863","0.002","9.4489","0.0019","19.174","0.006","90","","112.65","0.02","90","","1816.3","0.8","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N10 O6 Zn -","- C10 H19 N10 O6 Zn -","- C40 H76 N40 O24 Zn4 -","4","1","","Zhai, Chun; Yang, Zhan Yong; Xu, Duo; Wang, Zhi Kang; Hao, Xin Yu; Shi, Yu Jie; Yang, Gao Wen; Li, Qiao Yun","pH dependent synthesis of two zinc(II) compounds derived from 5-aminotetrazole-1-isopropanoic acid for treatment of cancer cells","Journal of Solid State Chemistry","2018","258","","156","162","10.1016/j.jssc.2017.10.013","","","0.71073","MoKα","","0.1582","0.1008","","","0.2155","0.2388","","","","","","1.297","","","","has coordinates","263258","2021-03-23","10:41:17",""
"1561230","8.3389","0.0002","8.3389","0.0002","13.7419","0.0005","90","","90","","120","","827.55","0.04","295","","295","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C9 H16 Fe2 N O12 -","- C8.9998 Fe2 N1.0002 O12 -","- C17.9996 Fe4 N2.0004 O24 -","2","0.166667","","Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy","Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks","Journal of Solid State Chemistry","2018","258","","163","169","10.1016/j.jssc.2017.10.016","powder diffraction","x-ray","1.5418","CuKα","","0.1551","0.0672","","0.0621","0.0524","","","","1.21","","","","","","","has coordinates","263291","2021-03-24","08:10:09",""
"1561231","8.2317","0.0002","8.2317","0.0002","14.1998","0.0005","90","","90","","120","","833.28","0.04","295","","295","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Fe2 N O13 -","- C8.0002 H6 Fe2 N1.0002 O13.0002 -","- C16.0004 H12 Fe4 N2.0004 O26.0004 -","2","0.166667","","Mączka, Mirosław; Kucharska, Edyta; Gągor, Anna; Pikul, Adam; Hanuza, Jerzy","Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks","Journal of Solid State Chemistry","2018","258","","163","169","10.1016/j.jssc.2017.10.016","powder diffraction","x-ray","1.5418","CuKα","","0.0913","0.0842","","0.0731","0.0726","","","","1.52","","","","","","","has coordinates","263292","2021-03-24","08:11:21",""
"1561234","12.0992","0.0013","22.497","0.002","22.589","0.002","90","","91.68","0.002","90","","6146","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Mo12 N12 O40 P Zn -","- C30 H24 Mo12 N12 O40 P Zn -","- C120 H96 Mo48 N48 O160 P4 Zn4 -","4","1","","Zhang, Zhuanfang; Ma, Huiyuan; Pang, Haijun; Zhang, Chunjing; Chai, Dongfeng; Hou, Yan","A Zn-tib porous framework sandwiched with Keggin Synthesis, structure, photocatalytic and luminescent properties","Journal of Solid State Chemistry","2018","258","","170","175","10.1016/j.jssc.2017.09.022","","","0.71073","MoKα","","0.1961","0.0763","","","0.1976","0.2601","","","","","","1.003","","","","has coordinates","263306","2021-03-25","08:12:10",""
"1561235","30.212","0.013","9.037","0.004","16.369","0.007","90","","112.817","0.006","90","","4119","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 La2 O19 -","- C42 H28 La2 O19 -","- C168 H112 La8 O76 -","4","0.5","","Ma, Yang-Min; Liu, Tong; Huang, Wen-Huan","Synthesis of a 3D lanthanum(III) MOFs as a multi-chemosensor to Cr(VI)-containing anion and Fe(III) cation based on a flexible ligand","Journal of Solid State Chemistry","2018","258","","176","180","10.1016/j.jssc.2017.10.017","","","0.71073","MoKα","","0.0503","0.0366","","","0.0946","0.1024","","","","","","1.084","","","","has coordinates","263307","2021-03-25","08:14:11",""
"1561236","8.63","0.001","8.63","0.001","8.914","0.001","90","","90","","120","","574.94","0.11","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","kappa-Ag2Mg5","","","- Ag1.945 Mg5.055 -","- Ag1.945 Mg5.055 -","- Ag7.78 Mg20.22 -","4","0.166667","","Castro, Facundo J.; Primo, Gastón A.; Urretavizcaya, Guillermina","Crystal structure of κ-Ag2Mg5","Journal of Solid State Chemistry","2018","258","","243","246","10.1016/j.jssc.2017.10.019","powder diffraction","","","X-ray","","","","","","","","","3.69","","","","","","","","has coordinates","263308","2021-03-25","08:19:30",""
"1561237","10.2204","0.0008","10.6193","0.0008","14.0656","0.0011","99.786","0.001","93.319","0.001","104.011","0.001","1451.77","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 Cd N3 O8 -","- C33 H25 Cd N3 O8 -","- C66 H50 Cd2 N6 O16 -","2","1","","Hu, Zhiyong; Zhao, Meng; Su, Jian; Xu, Shasha; Hu, Lei; Liu, Hui; Zhang, Qiong; Zhang, Jun; Wu, Jieying; Tian, Yupeng","Three coordination polymers based on a star-like geometry 4, 4', 4'' -nitrilotribenzoic acid ligand and their framework dependent luminescent properties","Journal of Solid State Chemistry","2018","258","","328","334","10.1016/j.jssc.2017.10.027","","","0.71073","MoKα","","0.0283","0.0265","","","0.0772","0.0794","","","","","","1.093","","","","has coordinates","263309","2021-03-25","08:29:13",""
"1561238","14.5578","0.0013","9.9962","0.0006","19.6908","0.0012","90","","90.435","0.001","90","","2865.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 Mn N3 O7 -","- C33 H23 Mn N3 O7 -","- C132 H92 Mn4 N12 O28 -","4","1","","Hu, Zhiyong; Zhao, Meng; Su, Jian; Xu, Shasha; Hu, Lei; Liu, Hui; Zhang, Qiong; Zhang, Jun; Wu, Jieying; Tian, Yupeng","Three coordination polymers based on a star-like geometry 4, 4', 4'' -nitrilotribenzoic acid ligand and their framework dependent luminescent properties","Journal of Solid State Chemistry","2018","258","","328","334","10.1016/j.jssc.2017.10.027","","","0.71073","MoKα","","0.0435","0.0372","","","0.109","0.1164","","","","","","1.011","","","","has coordinates","263309","2021-03-25","08:29:17",""
"1561239","12.813","0.003","22.74","0.005","9.6406","0.0019","90","","102.529","0.003","90","","2742.1","1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H21 N3 O6 Zn -","- C33 H21 N3 O6 Zn -","- C132 H84 N12 O24 Zn4 -","4","1","","Hu, Zhiyong; Zhao, Meng; Su, Jian; Xu, Shasha; Hu, Lei; Liu, Hui; Zhang, Qiong; Zhang, Jun; Wu, Jieying; Tian, Yupeng","Three coordination polymers based on a star-like geometry 4, 4', 4'' -nitrilotribenzoic acid ligand and their framework dependent luminescent properties","Journal of Solid State Chemistry","2018","258","","328","334","10.1016/j.jssc.2017.10.027","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","263309","2021-03-25","08:29:28",""
"1561240","20.278","0.004","6.618","0.0013","24.79","0.005","90","","112.29","0.03","90","","3078.2","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Co5 O24 -","- C32 H26 Co5 O24 -","- C128 H104 Co20 O96 -","4","0.5","","Feng, Si-si; Xie, Ling; Lu, Li-ping; Zhu, Miao-li; Su, Feng","The diversity of five metal‒organic complexes based on an unsymmetrical biphenyl tetracarboxylate: Synthesis, structures, magnetism and luminescence","Journal of Solid State Chemistry","2018","258","","335","345","10.1016/j.jssc.2017.10.035","","","0.72","synchrotron","","0.0345","0.0326","","","0.0932","0.0942","","","","","","1.077","","","","has coordinates","263310","2021-03-25","08:35:56",""
"1561241","14.62","0.003","18.975","0.004","13.793","0.003","90","","97.37","0.03","90","","3794.8","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Co2 O12 -","- C16 H7 Co2 O9 -","- C128 H56 Co16 O72 -","8","1","","Feng, Si-si; Xie, Ling; Lu, Li-ping; Zhu, Miao-li; Su, Feng","The diversity of five metal‒organic complexes based on an unsymmetrical biphenyl tetracarboxylate: Synthesis, structures, magnetism and luminescence","Journal of Solid State Chemistry","2018","258","","335","345","10.1016/j.jssc.2017.10.035","","","0.72","synchrotron","","0.0517","0.0498","","","0.1495","0.1518","","","","","","1.087","","","","has coordinates","263310","2021-03-25","08:35:59",""
"1561242","6.7439","0.0008","24.242","0.003","11.5643","0.0011","90","","105.935","0.005","90","","1817.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 K2 O21 Zn4 -","- C32 H20 K2 O21 Zn4 -","- C64 H40 K4 O42 Zn8 -","2","0.5","","Feng, Si-si; Xie, Ling; Lu, Li-ping; Zhu, Miao-li; Su, Feng","The diversity of five metal‒organic complexes based on an unsymmetrical biphenyl tetracarboxylate: Synthesis, structures, magnetism and luminescence","Journal of Solid State Chemistry","2018","258","","335","345","10.1016/j.jssc.2017.10.035","","","0.71073","MoKα","","0.0754","0.0511","","","0.107","0.1162","","","","","","1.078","","","","has coordinates","263310","2021-03-25","08:36:00",""
"1561243","7.4216","0.0005","10.0827","0.0006","10.6939","0.0006","92.839","0.001","90.481","0.001","93.044","0.001","798.06","0.08","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 O19 Zn4 -","- C32 H18 O19 Zn4 -","- C32 H18 O19 Zn4 -","1","0.5","","Feng, Si-si; Xie, Ling; Lu, Li-ping; Zhu, Miao-li; Su, Feng","The diversity of five metal‒organic complexes based on an unsymmetrical biphenyl tetracarboxylate: Synthesis, structures, magnetism and luminescence","Journal of Solid State Chemistry","2018","258","","335","345","10.1016/j.jssc.2017.10.035","","","0.71073","MoKα","","0.0862","0.0728","","","0.2021","0.2144","","","","","","1.063","","","","has coordinates,has disorder","263310","2021-03-25","08:36:00",""
"1561244","12.53","0.003","22.236","0.004","16.595","0.006","90","","125.53","0.02","90","","3763","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cd4 O25 -","- C32 H30 Cd4 O25 -","- C128 H120 Cd16 O100 -","4","1","","Feng, Si-si; Xie, Ling; Lu, Li-ping; Zhu, Miao-li; Su, Feng","The diversity of five metal‒organic complexes based on an unsymmetrical biphenyl tetracarboxylate: Synthesis, structures, magnetism and luminescence","Journal of Solid State Chemistry","2018","258","","335","345","10.1016/j.jssc.2017.10.035","","","0.72","synchrotron","","0.0408","0.0378","","","0.0997","0.1017","","","","","","1.022","","","","has coordinates","263310","2021-03-25","08:36:00",""
"1561245","5.4755","0.0003","7.6815","0.0004","5.3871","0.0003","90","","90","","90","","226.58","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- D1.5 F1.5 Mg Na -","- D1.5 F1.5 Mg Na -","- D6 F6 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.7981","neutron","","","","","","","","","0.059112","2.3988","","","","","","","has coordinates","263311","2021-03-25","08:51:00",""
"1561246","5.4658","0.0003","7.682","0.0004","5.3921","0.0003","90","","90","","90","","226.4","0.02","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- D2 F Mg Na -","- D2 F Mg Na -","- D8 F4 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.7981","neutron","","","","","5.56","","","","0.072707","1.7471","","","","","","","has coordinates","263311","2021-03-25","08:51:11",""
"1561247","5.4795","0.00021","7.6781","0.00029","5.37951","0.00017","90","","90","","90","","226.328","0.014","298","","298","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F2.293 H0.707 Mg Na -","- F2.293 H0.707 Mg Na -","- F9.172 H2.828 Mg4 Na4 -","4","0.5","","Pflug, Christian; Franz, Alexandra; Kohlmann, Holger","Crystal structure and europium luminescence of NaMgH3−xFx","Journal of Solid State Chemistry","2018","258","","391","396","10.1016/j.jssc.2017.10.034","powder diffraction","","1.86725","neutron","","","","","11.9","","","","0.103448","1.6275","","","","","","","has coordinates","263311","2021-03-25","08:51:23",""
"1561248","4.4348","0.0002","11.0251","0.0004","13.9644","0.0005","90","","95.313","0.001","90","","679.84","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B3 H O7 Sn2 -","- B3 H O7 Sn2 -","- B12 H4 O28 Sn8 -","4","1","","Schönegger, Sandra; Wurst, Klaus; Heymann, Gunter; Schaur, Andreas; Saxer, Andreas; Johrendt, Dirk; Huppertz, Hubert","Synthesis and characterization of the first hydrothermally synthesized tin borate Sn2B3O6(OH)","Journal of Solid State Chemistry","2018","258","","410","415","10.1016/j.jssc.2017.11.004","","","0.71073","MoKα","","0.034","0.0255","","","0.0508","0.053","","","","","","1.104","","","","has coordinates","263312","2021-03-25","09:28:30",""
"1561249","7.6216","0.0012","9.6734","0.0015","16.831","0.003","90","","90","","90","","1240.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.0494","0.0415","","","0.0894","0.0922","","","","","","1.141","","","","has coordinates","263313","2021-03-25","09:34:49",""
"1561250","7.6215","0.0011","9.7364","0.0015","16.983","0.003","90","","90","","90","","1260.2","0.3","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.0519","0.0391","","","0.0787","0.084","","","","","","1.051","","","","has coordinates","263314","2021-03-25","09:36:02",""
"1561251","10.0256","0.0006","7.403","0.0004","17.6039","0.0013","90","","90","","90","","1306.55","0.14","300","","301.51","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 Cl4 Co N2 -","- C3.98 Cl4 Co N2 -","- C15.92 Cl16 Co4 N8 -","4","0.5","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.108","0.0751","","","0.2055","0.2263","","","","","","1.075","","","","has coordinates,has disorder","263315","2021-03-25","09:37:28",""
"1561252","8.1568","0.0008","9.2652","0.0009","10.2933","0.001","113.196","0.001","104.043","0.001","102.826","0.001","648.18","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cd N4 O5 S -","- C10 H8 Cd N4 O5 S -","- C20 H16 Cd2 N8 O10 S2 -","2","1","","Xu, Ning; Li, Yanyan; Cheng, Qian; Zhang, Guoan","Structures and properties of two coordination polymers constructed by the semirigid bi-functional 5-((1-methyl-1H-tetrazol-5-yl)thio)isophthalic acid ligand","Journal of Solid State Chemistry","2018","258","","453","459","10.1016/j.jssc.2017.11.007","","","0.71073","MoKα","","0.0209","0.0204","","","0.0558","0.0562","","","","","","1.169","","","","has coordinates","263316","2021-03-25","09:50:20",""
"1561253","8.0135","0.0003","10.656","0.0005","14.5494","0.0006","90","","93.145","0.001","90","","1240.53","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cu N4 O4 S -","- C10 H6 Cu N4 O4 S -","- C40 H24 Cu4 N16 O16 S4 -","4","1","","Xu, Ning; Li, Yanyan; Cheng, Qian; Zhang, Guoan","Structures and properties of two coordination polymers constructed by the semirigid bi-functional 5-((1-methyl-1H-tetrazol-5-yl)thio)isophthalic acid ligand","Journal of Solid State Chemistry","2018","258","","453","459","10.1016/j.jssc.2017.11.007","","","0.71073","MoKα","","0.0307","0.0271","","","0.0652","0.0673","","","","","","1.064","","","","has coordinates","263316","2021-03-25","09:50:21",""
"1561254","17.3912","0.0009","11.5588","0.0007","19.4079","0.0011","90","","113.23","0.002","90","","3585.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H68 Mg N12 O8 -","- C84 H68 Mg N12 O8 -","- C168 H136 Mg2 N24 O16 -","2","0.5","","Amiri, Nesrine; Hajji, Melek; Taheur, Fadia Ben; Chevreux, Sylviane; Roisnel, Thierry; Lemercier, Gilles; Nasri, Habib","Two novel magnesium(II) meso-tetraphenylporphyrin-based coordination complexes: Syntheses, combined experimental and theoretical structures elucidation, spectroscopy, photophysical properties and antibacterial activity","Journal of Solid State Chemistry","2018","258","","477","484","10.1016/j.jssc.2017.11.018","","","0.71073","MoKα","","0.175","0.0761","","","0.1676","0.2291","","","","","","1.034","","","","has coordinates,has Fobs","263317","2021-03-25","09:56:59",""
"1561255","10.278","0.005","10.443","0.005","16.36","0.005","81.867","0.005","83.561","0.005","78.041","0.005","1694.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 Mg0.5 N4 O4 -","- C42 H34 Mg0.5 N4 O4 -","- C84 H68 Mg N8 O8 -","2","1","","Amiri, Nesrine; Hajji, Melek; Taheur, Fadia Ben; Chevreux, Sylviane; Roisnel, Thierry; Lemercier, Gilles; Nasri, Habib","Two novel magnesium(II) meso-tetraphenylporphyrin-based coordination complexes: Syntheses, combined experimental and theoretical structures elucidation, spectroscopy, photophysical properties and antibacterial activity","Journal of Solid State Chemistry","2018","258","","477","484","10.1016/j.jssc.2017.11.018","","","1.54178","CuKα","","0.0507","0.0424","","","0.098","0.103","","","","","","1.048","","","","has coordinates,has Fobs","263318","2021-03-25","09:58:29",""
"1561256","15.2674","0.0005","15.2674","0.0005","19.438","0.0008","90","","90","","90","","4530.9","0.3","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C25.5 H57 Cl2.5 N12 Ni2 O15.5 Re -","- C25.5 H48 Cl2.5 N12 Ni2 O15.5 Re -","- C102 H192 Cl10 N48 Ni8 O62 Re4 -","4","0.5","","Sukhikh, Taisiya S.; Vostrikova, Kira E.","Redetermination of the crystal structure of the 2D heterometallic framework prepared from [Ni(cyclam)]2+ and [Re(CN)7]3-","Journal of Solid State Chemistry","2018","258","","485","487","10.1016/j.jssc.2017.11.016","","","0.71073","MoKα","","0.0542","0.042","","","0.1066","0.1155","","","","","","1.056","","","","has coordinates,has disorder","263319","2021-03-25","10:02:47",""
"1561257","8.728","0.009","16.723","0.018","14.922","0.016","90","","91.05","0.015","90","","2178","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HN072","","","- C6 H10 Hg2 I6 N4 -","- C6 H10 Hg2 I6 N4 -","- C24 H40 Hg8 I24 N16 -","4","1","","Nhalil, Hariharan; Whiteside, Vincent R.; Sellers, Ian R.; Ming, Wenmei; Du, Mao-Hua; Saparov, Bayrammurad","Synthesis, crystal and electronic structures and optical properties of (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium)","Journal of Solid State Chemistry","2018","258","","551","558","10.1016/j.jssc.2017.11.028","","","0.71073","","","0.0575","0.0396","","","0.0984","0.1091","","","","","","1.034","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1561258","6.9115","0.0009","7.9194","0.0011","9.9721","0.0013","100.966","0.002","107.393","0.002","102.59","0.002","488.86","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HN063","","","- C6 H10 Cl8 Hg3 N4 -","- C6 H10 Cl8 Hg3 N4 -","- C6 H10 Cl8 Hg3 N4 -","1","0.5","","Nhalil, Hariharan; Whiteside, Vincent R.; Sellers, Ian R.; Ming, Wenmei; Du, Mao-Hua; Saparov, Bayrammurad","Synthesis, crystal and electronic structures and optical properties of (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium)","Journal of Solid State Chemistry","2018","258","","551","558","10.1016/j.jssc.2017.11.028","","","0.71073","","","0.0196","0.019","","","0.0458","0.0461","","","","","","1.143","","","","has coordinates","263321","2021-03-25","10:10:57",""
"1561259","13.88304","0.00008","7.37526","0.00004","10.43771","0.00004","90","","90","","90","","1068.73","0.009","298","2","298","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C5 Co Fe N6 O3 -","- C5 Co Fe N6 O3 -","- C20 Co4 Fe4 N24 O12 -","4","0.5","","Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.","Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases","Journal of Solid State Chemistry","2018","258","","566","572","10.1016/j.jssc.2017.11.029","powder diffraction","x-ray","1.5406","CuKα1","","0.0558","0.0353","","","0.0897","0.095","","","","","","1.85","","","","has coordinates","288309","2023-12-14","13:28:57",""
"1561260","13.96736","0.00012","7.43408","0.00006","10.46303","0.00007","90","","90","","90","","1086.42","0.015","298","2","298","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C5 Fe2 N6 O3 -","- C5 Fe2 N6 O3 -","- C20 Fe8 N24 O12 -","4","0.5","","Echevarría, F.; Reguera, L.; González M, M.; Galicia, J.; Ávila, M.; Reguera, E.","Hydrothermal recrystallization of transition metal nitroprussides. Formation of the most stable phases","Journal of Solid State Chemistry","2018","258","","566","572","10.1016/j.jssc.2017.11.029","powder diffraction","x-ray","1.5406","CuKα1","","0.0558","0.0353","","","0.0897","0.095","","","","","","1.85","","","","has coordinates","288309","2023-12-14","13:29:01",""
"1561261","20.458","0.003","7.6063","0.0013","20.826","0.003","90","","90","","90","","3240.7","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H22 N6 O11 Zn2 -","- C34 H22 N6 O11 Zn2 -","- C136 H88 N24 O44 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0683","0.0463","","","0.1166","0.1292","","","","","","1.034","","","","has coordinates","263323","2021-03-25","10:29:18",""
"1561262","23.225","0.004","11.72","0.002","14.39","0.003","90","","116.243","0.003","90","","3513.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N6 O11 Zn2 -","- C34 H26 N6 O11 Zn2 -","- C136 H104 N24 O44 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0797","0.0486","","","0.1082","0.1243","","","","","","1.018","","","","has coordinates","263323","2021-03-25","10:29:19",""
"1561263","8.8485","0.0017","11.661","0.002","17.702","0.003","90","","102.533","0.004","90","","1783","0.6","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H34 N6 O13 Zn2 -","- C36 H34 N6 O13 Zn2 -","- C72 H68 N12 O26 Zn4 -","2","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0607","0.0439","","","0.1088","0.1189","","","","","","1.042","","","","has coordinates","263323","2021-03-25","10:29:19",""
"1561264","8.21","0.002","19.422","0.006","21.269","0.007","90","","90","","90","","3391.4","1.7","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 H26 N6 O9 Zn2 -","- C36 H26 N6 O9 Zn2 -","- C144 H104 N24 O36 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.1557","0.0605","","","0.1088","0.1359","","","","","","1.033","","","","has coordinates","263323","2021-03-25","10:29:19",""
"1561265","19.365","0.004","13.429","0.003","12.098","0.002","90","","116.978","0.003","90","","2803.8","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 N6 O5 Zn -","- C32 H20 N6 O5 Zn -","- C128 H80 N24 O20 Zn4 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0597","0.0452","","","0.0974","0.1066","","","","","","1.025","","","","has coordinates","263323","2021-03-25","10:29:19",""
"1561266","21.752","0.009","7.634","0.003","21.523","0.01","90","","91.757","0.01","90","","3572","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H21 N8 O10 Zn2 -","- C37 H21 N8 O10 Zn2 -","- C148 H84 N32 O40 Zn8 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.166","0.0741","","","0.1339","0.1744","","","","","","0.982","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561267","9.1479","0.0011","13.4495","0.0017","15.0069","0.0019","111.292","0.002","100.708","0.002","93.667","0.002","1672.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H21 Cd2 N8 O8 -","- C37 H21 Cd2 N8 O8 -","- C74 H42 Cd4 N16 O16 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0574","0.0435","","","0.1151","0.1281","","","","","","1.023","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561268","23.211","0.004","11.725","0.002","14.259","0.003","90","","115.933","0.003","90","","3489.8","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Co2 N6 O11 -","- C34 H26 Co2 N6 O11 -","- C136 H104 Co8 N24 O44 -","4","0.5","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0439","0.0346","","","0.0903","0.0963","","","","","","1.019","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561269","7.478","0.003","10.351","0.004","12.854","0.006","97.573","0.007","97.002","0.007","107.973","0.007","924.1","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Co N4 O5 -","- C20 H17 Co N4 O5 -","- C40 H34 Co2 N8 O10 -","2","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.1013","0.0788","","","0.233","0.2535","","","","","","1.039","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561270","8.1884","0.0007","14.3185","0.0013","12.9091","0.0011","90","","108.421","0.001","90","","1436","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Co N3 O4 -","- C17 H10 Co N3 O4 -","- C68 H40 Co4 N12 O16 -","4","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0397","0.0354","","","0.0757","0.0778","","","","","","0.986","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561271","13.086","0.003","10.706","0.002","19.48","0.004","90","","90","","90","","2729.1","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C128 H104 N24 O24 -","8","1","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.0866","0.0538","","","0.1277","0.1455","","","","","","1.039","","","","has coordinates","263323","2021-03-25","10:29:20",""
"1561272","15.049","0.007","17.686","0.008","21.339","0.01","90","","90.788","0.011","90","","5679","5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Cd N6 O4 -","- C32 H20 Cd N6 O4 -","- C256 H160 Cd8 N48 O32 -","8","2","","Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng","Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties","Journal of Solid State Chemistry","2018","258","","588","601","10.1016/j.jssc.2017.11.023","","","0.71073","MoKα","","0.2573","0.1106","","","0.2293","0.298","","","","","","1.007","","","","has coordinates","263324","2021-03-25","10:33:28",""
"1561280","11.8833","0.0004","13.1374","0.0005","14.5214","0.0005","91.9071","0.0011","102.751","0.0012","94.9222","0.0011","2199.77","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","AB21","","","- C27 H45 Cd2 I4 N9 O2 S4 -","- C27 H43 Cd2 I4 N9 O2 S4 -","- C54 H86 Cd4 I8 N18 O4 S8 -","2","1","","Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein","Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers","Journal of Solid State Chemistry","2018","258","","618","627","10.1016/j.jssc.2017.11.035","","","0.71073","MoKα","","0.0443","0.0314","","","0.0612","0.0648","","","","","","1.033","","","","has coordinates,has disorder","263351","2021-03-26","09:22:21",""
"1561281","12.8031","0.0004","12.2629","0.0004","12.4809","0.0004","90","","90","","90","","1959.54","0.11","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C13 H18 Cd Cl N5 S3 -","- C13 H18 Cd Cl N5 S3 -","- C52 H72 Cd4 Cl4 N20 S12 -","4","0.5","","Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein","Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers","Journal of Solid State Chemistry","2018","258","","618","627","10.1016/j.jssc.2017.11.035","","","0.71073","MoKα","","0.0262","0.0227","","","0.0545","0.0564","","","","","","1.081","","","","has coordinates","263351","2021-03-26","09:22:24",""
"1561282","8.1062","0.0001","9.0953","0.0001","8.9802","0.0001","90","","111.655","0.0005","90","","615.366","0.012","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","strontium europium aluminum silicon nitride","","","- Al Eu0.02 N7 Si4 Sr0.98 -","- Al Eu0.0175 N7 Si4 Sr0.9825 -","- Al4 Eu0.07 N28 Si16 Sr3.93 -","4","2","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis, crystal structure, and luminescence properties of a new nitride polymorph, β-Sr0.98Eu0.02AlSi4N7","Journal of Solid State Chemistry","2018","258","","664","673","10.1016/j.jssc.2017.11.037","","","0.71073","MoKα","","0.0297","0.0277","","","0.0685","0.0694","","","","","","1.076","","","","has coordinates","263352","2021-03-26","09:29:20",""
"1561283","11.7175","0.0003","21.3103","0.0006","4.9483","0.0002","90","","90","","90","","1235.61","0.07","301","2","301","2","","","","","","","","5","P n a 21","P 2c -2n","33","strontium europium aluminum silicon nitride","","","- Al Eu0.02 N7 Si4 Sr0.98 -","- Al Eu0.016 N7 Si4 Sr0.984 -","- Al8 Eu0.128 N56 Si32 Sr7.872 -","8","2","","Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto","Synthesis, crystal structure, and luminescence properties of a new nitride polymorph, β-Sr0.98Eu0.02AlSi4N7","Journal of Solid State Chemistry","2018","258","","664","673","10.1016/j.jssc.2017.11.037","","","0.71073","MoKα","","0.0129","0.0128","","","0.0379","0.038","","","","","","1.117","","","","has coordinates","263353","2021-03-26","09:31:53",""
"1561284","13.8792","0.0009","13.8792","","39.672","0.003","90","","90","","90","","7642.1","0.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C11 H15 N6 O8 U -","- C7 H6 N5 O7 U -","- C112 H96 N80 O112 U16 -","16","1","","Tian, Hong-Hong; Chen, Liang-Ting; Zhang, Rong-Lan; Zhao, Jian-She; Liu, Chi-Yang; Weng, Ng Seik","A novel stable 3D luminescent uranyl complex for highly efficient and sensitive recognition of Ru3+ and biomolecules","Journal of Solid State Chemistry","2018","258","","674","681","10.1016/j.jssc.2017.11.032","","","0.71073","MoKα","","0.0569","0.0347","","","0.0785","0.086","","","","","","0.937","","","","has coordinates","263354","2021-03-26","09:37:04",""
"1561285","7.622","0.002","11.109","0.003","27.938","0.007","90","","95.286","0.006","90","","2355.5","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Co2 N4 O14 S -","- C18 H21 Co2 N4 O14 S -","- C72 H84 Co8 N16 O56 S4 -","4","1","","Wang, Duo-Zhi; Wang, Xin-Fang; Du, Jia-Qiang; Dong, Jun-Liang; Xie, Fei","2-(hydroxymethyl)-1H-benzo[d]imidazole-5-carboxylic acid as linker for Co(II)/Ni(II)/Cu(II) coordination polymers: Synthesis, structures and properties","Journal of Solid State Chemistry","2018","258","","728","736","10.1016/j.jssc.2017.12.007","","","0.71073","MoKα","","0.0879","0.0776","","","0.2072","0.2129","","","","","","1.048","","","","has coordinates","263355","2021-03-26","09:45:37",""
"1561286","12.9287","0.0006","10.2766","0.0005","8.0312","0.0004","90","","93.472","0.001","90","","1065.09","0.09","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co2 F6 N4 O8 Si -","- C18 H18 Co2 F6 N4 O8 Si -","- C36 H36 Co4 F12 N8 O16 Si2 -","2","0.5","","Wang, Duo-Zhi; Wang, Xin-Fang; Du, Jia-Qiang; Dong, Jun-Liang; Xie, Fei","2-(hydroxymethyl)-1H-benzo[d]imidazole-5-carboxylic acid as linker for Co(II)/Ni(II)/Cu(II) coordination polymers: Synthesis, structures and properties","Journal of Solid State Chemistry","2018","258","","728","736","10.1016/j.jssc.2017.12.007","","","0.71073","MoKα","","0.0288","0.0251","","","0.0631","0.0659","","","","","","1.051","","","","has coordinates","263356","2021-03-26","09:46:32",""
"1561287","7.5908","0.0004","11.0123","0.0005","27.8058","0.0015","90","","95.243","0.002","90","","2314.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 Ni2 O15 S -","- C18 H24 N4 Ni2 O15 S -","- C72 H96 N16 Ni8 O60 S4 -","4","1","","Wang, Duo-Zhi; Wang, Xin-Fang; Du, Jia-Qiang; Dong, Jun-Liang; Xie, Fei","2-(hydroxymethyl)-1H-benzo[d]imidazole-5-carboxylic acid as linker for Co(II)/Ni(II)/Cu(II) coordination polymers: Synthesis, structures and properties","Journal of Solid State Chemistry","2018","258","","728","736","10.1016/j.jssc.2017.12.007","","","0.71073","MoKα","","0.0665","0.0475","","","0.121","0.1333","","","","","","1.034","","","","has coordinates","263357","2021-03-26","09:47:27",""
"1561288","7.6496","0.0003","10.6881","0.0004","15.5708","0.0006","81.797","0.001","80.597","0.001","88.566","0.001","1243.11","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 F6 N4 Ni2 O11 Si -","- C18 H24 F6 N4 Ni2 O11 Si -","- C36 H48 F12 N8 Ni4 O22 Si2 -","2","1","","Wang, Duo-Zhi; Wang, Xin-Fang; Du, Jia-Qiang; Dong, Jun-Liang; Xie, Fei","2-(hydroxymethyl)-1H-benzo[d]imidazole-5-carboxylic acid as linker for Co(II)/Ni(II)/Cu(II) coordination polymers: Synthesis, structures and properties","Journal of Solid State Chemistry","2018","258","","728","736","10.1016/j.jssc.2017.12.007","","","0.71073","MoKα","","0.0284","0.0244","","","0.0594","0.061","","","","","","1.075","","","","has coordinates","263358","2021-03-26","09:48:32",""
"1561289","13.203","0.016","10.16","0.012","7.97","0.01","90","","96.69","0.02","90","","1062","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cu2 F6 N4 O8 Si -","- C18 H18 Cu2 F6 N4 O8 Si -","- C36 H36 Cu4 F12 N8 O16 Si2 -","2","0.5","","Wang, Duo-Zhi; Wang, Xin-Fang; Du, Jia-Qiang; Dong, Jun-Liang; Xie, Fei","2-(hydroxymethyl)-1H-benzo[d]imidazole-5-carboxylic acid as linker for Co(II)/Ni(II)/Cu(II) coordination polymers: Synthesis, structures and properties","Journal of Solid State Chemistry","2018","258","","728","736","10.1016/j.jssc.2017.12.007","","","0.71073","MoKα","","0.1214","0.0691","","","0.1488","0.1729","","","","","","0.991","","","","has coordinates","263359","2021-03-26","09:50:00",""
"1561290","10.788","0.002","9.803","0.002","15.462","0.003","90","","91.268","0.004","90","","1634.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N3 O4 Zn -","- C18 H14 N3 O4 Zn -","- C72 H56 N12 O16 Zn4 -","4","1","","Zhang, Mei-Na; Fan, Ting-Ting; Wang, Qiu-Shuang; Han, Hong-Liang; Li, Xia","Zn/Cd/Cu- frameworks constructed by 3,3′-diphenyldicarboxylate and 1,4-bis(1,2,4-triazol-1-yl)butane: Syntheses, structure, luminescence and luminescence sensing for metal ion in aqueous medium","Journal of Solid State Chemistry","2018","258","","744","752","10.1016/j.jssc.2017.12.005","","","0.71073","MoKα","","0.1061","0.0558","","","0.1342","0.1706","","","","","","0.838","","","","has coordinates","263360","2021-03-26","09:55:48",""
"1561291","10.9108","0.0011","10.6452","0.0011","14.3529","0.0014","90","","92.88","0.002","90","","1665","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd N3 O4 -","- C18 H14 Cd N3 O4 -","- C72 H56 Cd4 N12 O16 -","4","1","","Zhang, Mei-Na; Fan, Ting-Ting; Wang, Qiu-Shuang; Han, Hong-Liang; Li, Xia","Zn/Cd/Cu- frameworks constructed by 3,3′-diphenyldicarboxylate and 1,4-bis(1,2,4-triazol-1-yl)butane: Syntheses, structure, luminescence and luminescence sensing for metal ion in aqueous medium","Journal of Solid State Chemistry","2018","258","","744","752","10.1016/j.jssc.2017.12.005","","","0.71073","MoKα","","0.0306","0.0255","","","0.087","0.0952","","","","","","0.755","","","","has coordinates","263360","2021-03-26","09:55:49",""
"1561292","10.478","0.002","10.93","0.002","12.312","0.003","106.87","0.03","108.55","0.03","104.63","0.03","1183.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 Cu3 N6 O12 -","- C50 H36 Cu3 N6 O12 -","- C50 H36 Cu3 N6 O12 -","1","0.5","","Zhang, Mei-Na; Fan, Ting-Ting; Wang, Qiu-Shuang; Han, Hong-Liang; Li, Xia","Zn/Cd/Cu- frameworks constructed by 3,3′-diphenyldicarboxylate and 1,4-bis(1,2,4-triazol-1-yl)butane: Syntheses, structure, luminescence and luminescence sensing for metal ion in aqueous medium","Journal of Solid State Chemistry","2018","258","","744","752","10.1016/j.jssc.2017.12.005","","","0.71073","MoKα","","0.052","0.039","","","0.1043","0.1101","","","","","","1.05","","","","has coordinates","263360","2021-03-26","09:55:49",""
"1561293","8.128","0.003","8.4","0.003","9.856","0.003","65.46","0.03","89.74","0.03","75.82","0.03","589.9","0.4","295","0.13","295","0.13","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 N O4 S -","- C8 H21 N O4 S -","- C16 H42 N2 O8 S2 -","2","1","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam","Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal","Journal of Solid State Chemistry","2018","258","","753","761","10.1016/j.jssc.2017.11.042","","","0.71073","MoKα","","0.0356","0.0298","","","0.0752","0.0783","","","","","","1.057","","","","has coordinates","263361","2021-03-26","10:00:38",""
"1561294","10.12","0.04","16.178","0.005","8.476","0.003","90","","110.08","0.03","90","","1303","5","330.01","0.11","330.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H21 N O4 S -","- C8 H21 N O4 S -","- C32 H84 N4 O16 S4 -","4","1","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam","Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal","Journal of Solid State Chemistry","2018","258","","753","761","10.1016/j.jssc.2017.11.042","","x-ray","0.71073","MoKα","","0.2487","0.068","","","0.1723","0.2078","","","","","","0.718","","","","has coordinates","263362","2021-03-26","10:02:10",""
"1561295","18.781","0.005","8.548","0.003","16.228","0.005","90","","90","","90","","2605.2","1.4","360","0.13","360","0.13","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H21 N O4 S -","- C8 H21 N O4 S -","- C64 H168 N8 O32 S8 -","8","0.5","","Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Markiewicz, Ewa; Hilczer, Bożena; Pietraszko, Adam","Structure, dielectric and electric properties of diisobutylammonium hydrogen sulfate crystal","Journal of Solid State Chemistry","2018","258","","753","761","10.1016/j.jssc.2017.11.042","","x-ray","0.71073","MoKα","","0.2227","0.1057","","","0.2841","0.3409","","","","","","0.869","","","","has coordinates,has disorder","263363","2021-03-26","10:04:11",""
"1561296","42.436","0.005","42.436","0.005","27.473","0.004","90","","90","","120","","42846","9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C50 H42 N4 O14 Zn3 -","- C50 H42 N4 O14 Zn3 -","- C900 H756 N72 O252 Zn54 -","18","0.5","","Hu, Xiao-Li; Wang, Xin-Long; Su, Zhong-Min","A metal-organic framework based on nanosized hexagonal channels as fluorescent indicator for detection of nitroaromatic explosives","Journal of Solid State Chemistry","2018","258","","781","785","10.1016/j.jssc.2017.12.010","","","0.71069","MoKα","","0.2298","0.1533","","","0.3997","0.4527","","","","","","1.499","","","","has coordinates","263364","2021-03-26","10:08:39",""
"1561297","13.215","0.005","13.924","0.005","14.092","0.005","113.287","0.005","104.752","0.005","101.282","0.005","2171.3","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 B Cu5 N25 O44 W12 -","- C56 H46 B Cu5 N24 O44 W12 -","- C56 H46 B Cu5 N24 O44 W12 -","1","0.5","","Zhou, Wanli; Zheng, Yanping; Peng, Jun","Cu-containing Keggin-type polyoxometalates-based organic-inorganic hybrids with double electro-catalytic behaviors","Journal of Solid State Chemistry","2018","258","","786","791","10.1016/j.jssc.2017.12.016","","","0.71069","MoKα","","0.1239","0.0894","","","0.2016","0.2281","","","","","","1.055","","","","has coordinates","263366","2021-03-26","10:12:50",""
"1561298","10.987","0.005","13.845","0.005","14.621","0.005","110.157","0.005","107.563","0.005","102.181","0.005","1863.2","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cu4 N20 O42 Si W12 -","- C44 H36 Cu4 N20 O42 Si W12 -","- C44 H36 Cu4 N20 O42 Si W12 -","1","0.5","","Zhou, Wanli; Zheng, Yanping; Peng, Jun","Cu-containing Keggin-type polyoxometalates-based organic-inorganic hybrids with double electro-catalytic behaviors","Journal of Solid State Chemistry","2018","258","","786","791","10.1016/j.jssc.2017.12.016","","","0.71069","MoKα","","0.0612","0.0422","","","0.0804","0.0872","","","","","","1.076","","","","has coordinates","263366","2021-03-26","10:12:51",""
"1561299","10.968","0.005","13.855","0.005","14.531","0.005","109.786","0.005","107.707","0.005","102.402","0.005","1850.8","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cu4 Mo12 N20 O42 P -","- C44 H36 Cu4 Mo12 N20 O42 P -","- C44 H36 Cu4 Mo12 N20 O42 P -","1","0.5","","Zhou, Wanli; Zheng, Yanping; Peng, Jun","Cu-containing Keggin-type polyoxometalates-based organic-inorganic hybrids with double electro-catalytic behaviors","Journal of Solid State Chemistry","2018","258","","786","791","10.1016/j.jssc.2017.12.016","","","0.71069","MoKα","","0.0802","0.0522","","","0.125","0.1449","","","","","","1.016","","","","has coordinates","263366","2021-03-26","10:12:51",""
"1561300","13.3775","0.0006","42.058","0.002","13.6225","0.0007","90","","103.198","0.005","90","","7462","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Cu2 N20 O46 P W12 -","- C44 H36 Cu2 N20 O46 P W12 -","- C176 H144 Cu8 N80 O184 P4 W48 -","4","1","","Zhou, Wanli; Zheng, Yanping; Peng, Jun","Cu-containing Keggin-type polyoxometalates-based organic-inorganic hybrids with double electro-catalytic behaviors","Journal of Solid State Chemistry","2018","258","","786","791","10.1016/j.jssc.2017.12.016","","","0.71073","MoKα","","0.1579","0.1028","","","0.2061","0.2301","","","","","","1.005","","","","has coordinates","263366","2021-03-26","10:12:51",""
"1561301","20.1343","0.0003","20.1343","0.0003","20.1343","0.0003","90","","90","","90","","8162.2","0.2","293","2","293","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H12 N12 O14 Zn8 -","- C24 H12 N12 O14 Zn8 -","- C192 H96 N96 O112 Zn64 -","8","0.0416667","","Feng, Chao; Zhao, Hong; Li, Zong-Qun","Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net","Journal of Solid State Chemistry","2018","258","","841","844","10.1016/j.jssc.2017.12.011","","","0.71","MoKα","","0.0926","0.0773","","","0.2067","0.2153","","","","","","1.383","","","","has coordinates","263367","2021-03-26","10:20:14",""
"1561302","13.2837","0.0007","13.6926","0.0007","11.261","0.0006","90","","90","","90","","2048.25","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H16 N6 O6 Zn2 -","- C18 H16 N6 O6 Zn2 -","- C72 H64 N24 O24 Zn8 -","4","1","","Feng, Chao; Zhao, Hong; Li, Zong-Qun","Highly efficient electrochemiluminescence on microporous MOFs containing zinc secondary building units with a pcu net","Journal of Solid State Chemistry","2018","258","","841","844","10.1016/j.jssc.2017.12.011","","","0.71073","MoKα","","0.0349","0.0298","","","0.0739","0.0772","","","","","","1.07","","","","has coordinates","263367","2021-03-26","10:20:14",""
"1561303","12.036","0.0007","21.0735","0.0012","7.9245","0.0005","90","","107.082","0.001","90","","1921.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 La O6 -","- C15 H27 La O6 -","- C60 H108 La4 O24 -","4","1","","Tsymbarenko, Dmitry; Martynova, Irina; Grebenyuk, Dimitry; Shegolev, Vsevolod; Kuzmina, Natalia","One-dimensional coordination polymers of whole row rare earth tris-pivalates","Journal of Solid State Chemistry","2018","258","","876","884","10.1016/j.jssc.2017.12.024","","","0.71073","MoKα","","0.0722","0.0374","","","0.0549","0.064","","","","","","1.071","","","","has coordinates","263368","2021-03-26","10:30:39",""
"1561304","11.5115","0.0002","11.5115","0.0002","9.3896","0.0003","90","","90","","120","","1077.56","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","yttium pivalate","catena-tris(mu2-2,2-dimethylpropionato-O,O')yttrium(iii)","","- C15 H27 O6 Y -","- C15 O6 Y -","- C30 O12 Y2 -","2","0.166667","","Tsymbarenko, Dmitry; Martynova, Irina; Grebenyuk, Dimitry; Shegolev, Vsevolod; Kuzmina, Natalia","One-dimensional coordination polymers of whole row rare earth tris-pivalates","Journal of Solid State Chemistry","2018","258","","876","884","10.1016/j.jssc.2017.12.024","powder diffraction","x-ray","1.54187","CuKα","","0.0414","0.0414","","0.0516","0.0516","","","","5.7","","","","","","","has coordinates","263368","2021-03-26","10:30:42",""
"1561305","11.5243","0.0002","11.5243","0.0002","9.3699","0.0003","90","","90","","120","","1077.69","0.04","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","holmium pivalate","catena-tris(mu2-2,2-dimethylpropionato-O,O')yttrium(iii)","","- C15 H27 Ho O6 -","- C15 H27 Ho O6 -","- C30 H54 Ho2 O12 -","2","0.166667","","Tsymbarenko, Dmitry; Martynova, Irina; Grebenyuk, Dimitry; Shegolev, Vsevolod; Kuzmina, Natalia","One-dimensional coordination polymers of whole row rare earth tris-pivalates","Journal of Solid State Chemistry","2018","258","","876","884","10.1016/j.jssc.2017.12.024","powder diffraction","x-ray","1.54187","","","0.0392","0.0383","","0.0429","0.0421","","","","3.79","","","","","","","has coordinates","263368","2021-03-26","10:30:47",""
"1561306","10.7179","0.0019","10.7179","0.0019","9.5131","0.0017","90","","90","","120","","946.4","0.3","120","2","120","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C15 H27 O6 Yb -","- C15 H27 O6 Yb -","- C30 H54 O12 Yb2 -","2","0.166667","","Tsymbarenko, Dmitry; Martynova, Irina; Grebenyuk, Dimitry; Shegolev, Vsevolod; Kuzmina, Natalia","One-dimensional coordination polymers of whole row rare earth tris-pivalates","Journal of Solid State Chemistry","2018","258","","876","884","10.1016/j.jssc.2017.12.024","","","0.71073","MoKα","","0.0644","0.0404","","","0.0695","0.0756","","","","","","1.209","","","","has coordinates","263368","2021-03-26","10:30:51",""
"1561307","10.707","0.003","10.707","0.003","9.467","0.002","90","","90","","120","","939.9","0.4","120","2","120","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C15 H27 Lu O6 -","- C15 H27 Lu O6 -","- C30 H54 Lu2 O12 -","2","0.166667","","Tsymbarenko, Dmitry; Martynova, Irina; Grebenyuk, Dimitry; Shegolev, Vsevolod; Kuzmina, Natalia","One-dimensional coordination polymers of whole row rare earth tris-pivalates","Journal of Solid State Chemistry","2018","258","","876","884","10.1016/j.jssc.2017.12.024","","","0.71073","MoKα","","0.1096","0.0784","","","0.141","0.1531","","","","","","1.257","","","","has coordinates","263368","2021-03-26","10:30:54",""
"1561314","17.99","0.005","5.672","0.0015","6.8519","0.0017","90","","90","","90","","699.2","0.3","293.15","","293.15","","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C6 H2 O4 Pb S -","- C6 H2 O4 Pb S -","- C24 H8 O16 Pb4 S4 -","4","1","","Lin, Jian-Di; Rong, Cheng; Lv, Ri-Xin; Wang, Zu-Jian; Long, Xi-Fa; Guo, Guo-Cong; Pan, Chun-Yang","A 3D metal-organic framework with a pcu net constructed from lead(II) and thiophene-2, 5-dicarboxylic acid: Synthesis, structure and ferroelectric property","Journal of Solid State Chemistry","2018","257","","34","39","10.1016/j.jssc.2017.09.001","","","0.71073","MoKα","","0.0495","0.0471","","","0.1187","0.1228","","","","","","1.078","","","","has coordinates,has disorder","263400","2021-03-29","06:56:00",""
"1561315","19.5046","0.0002","19.5046","0.0002","60.444","0.003","90","","90","","90","","22994.7","1.2","173","2","173","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C46 H29 Cu3 N4 O13 -","- C46 H29 Cu3 N4 O13 -","- C368 H232 Cu24 N32 O104 -","8","0.25","","Wei, Lian-Qiang; Li, Yue; Mao, Li-Yuan; Chen, Qing; Lin, Ning","A series of porous metal‒organic frameworks with hendecahedron cage: Structural variation and drug slow release properties","Journal of Solid State Chemistry","2018","257","","58","63","10.1016/j.jssc.2017.09.021","","","1.54178","CuKα","","0.0777","0.0684","","","0.2001","0.2109","","","","","","1.133","","","","has coordinates","263401","2021-03-29","07:02:17",""
"1561316","19.6856","0.0006","19.6856","0.0006","59.9228","0.0015","90","","90","","90","","23221.5","1.2","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C50 H29 Cu3 N2 O13 -","- C50 H29 Cu3 N2 O13 -","- C400 H232 Cu24 N16 O104 -","8","0.25","","Wei, Lian-Qiang; Li, Yue; Mao, Li-Yuan; Chen, Qing; Lin, Ning","A series of porous metal‒organic frameworks with hendecahedron cage: Structural variation and drug slow release properties","Journal of Solid State Chemistry","2018","257","","58","63","10.1016/j.jssc.2017.09.021","","","1.54178","CuKα","","0.1384","0.0761","","","0.1686","0.184","","","","","","1.002","","","","has coordinates","263401","2021-03-29","07:02:17",""
"1561317","19.8736","0.0006","19.8736","0.0006","59.423","0.003","90","","90","","90","","23469.7","1.6","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C42 H25 Cu3 N0 O15 -","- C42 H25 Cu3 O15 -","- C336 H200 Cu24 O120 -","8","0.25","","Wei, Lian-Qiang; Li, Yue; Mao, Li-Yuan; Chen, Qing; Lin, Ning","A series of porous metal‒organic frameworks with hendecahedron cage: Structural variation and drug slow release properties","Journal of Solid State Chemistry","2018","257","","58","63","10.1016/j.jssc.2017.09.021","","","1.54178","CuKα","","0.087","0.0608","","","0.1356","0.1444","","","","","","0.995","","","","has coordinates","263401","2021-03-29","07:02:17",""
"1561318","19.5653","0.0003","19.5653","0.0003","60.4261","0.001","90","","90","","90","","23131.2","0.6","298","2","298","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C46 H27 Cu3 N2 O13 -","- C46 H27 Cu3 N2 O13 -","- C368 H216 Cu24 N16 O104 -","8","0.25","","Wei, Lian-Qiang; Li, Yue; Mao, Li-Yuan; Chen, Qing; Lin, Ning","A series of porous metal‒organic frameworks with hendecahedron cage: Structural variation and drug slow release properties","Journal of Solid State Chemistry","2018","257","","58","63","10.1016/j.jssc.2017.09.021","","","1.54178","CuKα","","0.0513","0.0477","","","0.1463","0.1535","","","","","","1.068","","","","has coordinates,has disorder","263401","2021-03-29","07:02:17",""
"1561319","9.7497","0.0012","9.7497","0.0012","27.0453","0.0032","90","","90","","120","","2226.4","0.5","293","2","293","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","K2 Sn Ta6 Br18","","- Br18 K2 Sn Ta6 -","- Br18 K2 Sn Ta6 -","- Br54 K6 Sn3 Ta18 -","3","0.166667","","Lemoine, P.; Wilmet, M.; Malaman, B.; Paofai, S.; Dumait, N.; Cordier, S.","Crystal structure of the new A 2 SnTa 6 X 18 (A = K, Rb, Cs; X = Cl, Br) cluster compounds","Journal of Solid State Chemistry","2018","257","","72","79","10.1016/j.jssc.2017.09.027","","x-ray","0.71073","MoKα","","0.0506","0.0275","","","0.0482","0.0517","","","","","","0.839","","","","has coordinates","263402","2021-03-29","07:09:12",""
"1563791","12.4606","0.001","15.2889","0.0012","20.6221","0.0018","101.858","0.002","93.315","0.002","109.524","0.002","3589.5","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C129 H100 N4 O33 Zn9 -","- C129 H100 N4 O33 Zn9 -","- C129 H100 N4 O33 Zn9 -","1","0.5","","Xiao, Jun-Xia; Ma, De-Yun","Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks","Inorganica Chimica Acta","2018","483","","6","11","10.1016/j.ica.2018.07.054","","","0.71073","MoKα","","0.107","0.0708","","","0.1935","0.2123","","","","","","1.03","","","","has coordinates,has disorder","266805","2021-06-30","09:16:58",""
"1563792","26.6681","0.0012","31.3068","0.0013","56.946","0.002","90","","90","","90","","47544","3","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C105 H72 O33 Pb11 -","- C105 H72 O33 Pb11 -","- C1680 H1152 O528 Pb176 -","16","0.5","","Xiao, Jun-Xia; Ma, De-Yun","Syntheses, structures, luminescent and catalytic properties of two 3D metal-organic frameworks","Inorganica Chimica Acta","2018","483","","6","11","10.1016/j.ica.2018.07.054","","","0.71073","MoKα","","0.0706","0.0405","","","0.0873","0.0974","","","","","","1.023","","","","has coordinates,has disorder","266806","2021-06-30","09:18:37",""
"1563793","6.8648","0.0002","10.3356","0.0003","11.782","0.0003","92.323","0.001","91.115","0.001","93.777","0.001","833.25","0.04","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu N4 O8 -","- C16 H16 Cu N4 O8 -","- C32 H32 Cu2 N8 O16 -","2","1","","Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella","Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents","Inorganica Chimica Acta","2018","483","","61","70","10.1016/j.ica.2018.07.052","","","1.54178","CuKα","","0.0425","0.0353","","","0.0955","0.1005","","","","","","1.08","","","","has coordinates","266807","2021-06-30","09:27:39",""
"1563794","15.5802","0.0004","25.5149","0.0007","15.402","0.0004","90","","118.508","0.001","90","","5380.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H58 Cu2 N6 O15.5 -","- C57 H58 Cu2 N6 O15.5 -","- C228 H232 Cu8 N24 O62 -","4","1","","Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella","Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents","Inorganica Chimica Acta","2018","483","","61","70","10.1016/j.ica.2018.07.052","","x-ray","0.71073","Mokα","","0.0388","0.032","","","0.089","0.0937","","","","","","1.028","","","","has coordinates,has disorder","266808","2021-06-30","09:29:20",""
"1563795","8.0498","0.0011","10.8189","0.0017","12.5674","0.0014","67.215","0.007","88.141","0.005","84.128","0.008","1003.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Cu N3 O8 -","- C16 H25 Cu N3 O8 -","- C32 H50 Cu2 N6 O16 -","2","1","","Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella","Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents","Inorganica Chimica Acta","2018","483","","61","70","10.1016/j.ica.2018.07.052","","","0.71073","MoKα","","0.0513","0.0372","","","0.0953","0.0996","","","","","","1.064","","","","has coordinates","266809","2021-06-30","09:31:37",""
"1563796","21.31","0.007","17.94","0.006","14.663","0.009","90","","130.53","0.01","90","","4261","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 Cu N3 O6 -","- C17 H19 Cu N3 O6 -","- C136 H152 Cu8 N24 O48 -","8","1","","Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella","Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents","Inorganica Chimica Acta","2018","483","","61","70","10.1016/j.ica.2018.07.052","","","1.54178","CuKα","","0.1095","0.0952","","","0.2982","0.3158","","","","","","1.31","","","","has coordinates","266810","2021-06-30","09:39:53",""
"1563797","7.1232","0.0003","26.6199","0.0011","10.5627","0.0005","90","","108.544","0.002","90","","1898.9","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cu N3 O6 -","- C18 H21 Cu N3 O6 -","- C72 H84 Cu4 N12 O24 -","4","1","","Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella","Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents","Inorganica Chimica Acta","2018","483","","61","70","10.1016/j.ica.2018.07.052","","","0.71073","MoKα","","0.0849","0.0568","","","0.1354","0.1458","","","","","","1.129","","","","has coordinates","266811","2021-06-30","09:41:34",""
"1563798","10.8952","0.0004","20.7382","0.0007","15.9265","0.0005","90","","91.401","0.001","90","","3597.5","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Ag2 F12 N8 P6 -","- C72 H68 Ag2 F12 N8 P6 -","- C144 H136 Ag4 F24 N16 P12 -","2","0.5","","Chowdhury, B.; Naskar, K.; Mallick, D.; Sarkar, K.K.; Sen, C.; Sinha, C.","Photochromism of {bis(diphenylphosphino)methane}(1-alkyl-2-(arylazo)imidazole)silver(I) hexaflurophosphate complexes","Inorganica Chimica Acta","2018","483","","87","92","10.1016/j.ica.2018.07.053","","","0.71073","MoKα","","0.0399","0.0344","","","0.0869","0.09","","","","","","1.025","","","","has coordinates","266812","2021-06-30","09:47:56",""
"1563799","12.8223","0.0013","12.8239","0.0009","38.138","0.003","89.966","0.002","89.948","0.003","60.027","0.002","5432.4","0.8","297","2","297","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H28 Cl6 Cu2 N2 O12 -","- C30 H28 Cl6 Cu2 N2 O12 -","- C180 H168 Cl36 Cu12 N12 O72 -","6","6","","Salman, Yeşim; Barlas, Fırat Barış; Yavuz, Murat; Kaya, Kerem; Timur, Suna; Telli, Fatma Çetin","Synthesis, characterization and biological application of dinuclear Cu(II) complexes of Schiff base ligands of galactochloralose and α-chloralose","Inorganica Chimica Acta","2018","483","","98","105","10.1016/j.ica.2018.08.010","","","0.71073","MoKα","","0.2072","0.0862","","","0.1644","0.2086","","","","","","1.07","","","","has coordinates","266813","2021-06-30","09:54:08",""
"1563820","10.9212","0.0003","25.0232","0.0009","12.2054","0.0004","90","","90","","90","","3335.53","0.19","153","2","153","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H40 N2 O8 Ti -","- C36 H40 N2 O8 Ti -","- C144 H160 N8 O32 Ti4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0303","0.0252","","","0.0611","0.0631","","","","","","1.006","","","","has coordinates","266846","2021-07-01","07:01:07",""
"1563821","9.5325","0.0003","10.0173","0.0004","37.6713","0.0015","90","","90","","90","","3597.2","0.2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cl6 N2 O6 Si -","- C34 H32 Cl6 N2 O6 Si -","- C136 H128 Cl24 N8 O24 Si4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0844","0.058","","","0.1177","0.1368","","","","","","1.151","","","","has coordinates,has disorder","266847","2021-07-01","07:03:31",""
"1563822","9.7871","0.0002","10.8431","0.0002","25.8544","0.0006","90","","90","","90","","2743.73","0.1","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl3 N O3 Si -","- C29 H26 Cl3 N O3 Si -","- C116 H104 Cl12 N4 O12 Si4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0375","0.0314","","","0.0741","0.0777","","","","","","1.028","","","","has coordinates","266848","2021-07-01","07:05:16",""
"1563823","10.4688","0.0005","12.2437","0.0006","13.4006","0.0007","100.391","0.004","102.456","0.004","111.831","0.004","1491.22","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N2 O7 Sn -","- C33 H34 N2 O7 Sn -","- C66 H68 N4 O14 Sn2 -","2","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0889","0.0787","","","0.1821","0.1903","","","","","","1.22","","","","has coordinates","266849","2021-07-01","07:08:35",""
"1563824","11.5388","0.0005","11.5388","0.0005","11.4295","0.0005","90","","90","","120","","1317.89","0.1","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H21 Ge N O3 -","- C18 H21 Ge N O3 -","- C54 H63 Ge3 N3 O9 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0331","0.0306","","","0.0759","0.0782","","","","","","1.058","","","","has coordinates","266850","2021-07-01","07:12:36",""
"1563825","11.4794","0.0005","11.4794","0.0005","13.1483","0.0006","90","","90","","120","","1500.51","0.12","153","2","153","2","","","","","","","","5","P 32","P 32","145","","","","- C21 H25 N O3 Si -","- C21 H25 N O3 Si -","- C63 H75 N3 O9 Si3 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0538","0.0449","","","0.0967","0.1006","","","","","","1.125","","","","has coordinates","266851","2021-07-01","07:14:41",""
"1563826","9.6877","0.0006","11.1402","0.0005","11.1952","0.0007","90","","95.026","0.005","90","","1203.57","0.12","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 Sn -","- C28 H25 N O3 Sn -","- C56 H50 N2 O6 Sn2 -","2","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0282","0.0252","","","0.0582","0.0607","","","","","","1.213","","","","has coordinates","266852","2021-07-01","07:16:34",""
"1563827","9.2326","0.0003","14.8212","0.0005","17.0034","0.0006","90","","90","","90","","2326.71","0.14","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 Sn -","- C24 H33 N O3 Sn -","- C96 H132 N4 O12 Sn4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0217","0.0201","","","0.0515","0.052","","","","","","1.047","","","","has coordinates,has disorder","266853","2021-07-01","07:18:36",""
"1563828","30.0121","0.0013","30.0121","0.0013","16.4324","0.0007","90","","90","","90","","14801.1","1.1","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C32 H30 N2 O6 Si -","- C32 H30 N2 O6 Si -","- C512 H480 N32 O96 Si16 -","16","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.1543","0.1056","","","0.308","0.3406","","","","","","1.049","","","","has coordinates","266854","2021-07-01","07:24:33",""
"1563829","10.0735","0.0005","16.066","0.0006","10.7523","0.0005","90","","96.576","0.004","90","","1728.71","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 Si -","- C19 H21 N O3 Si -","- C76 H84 N4 O12 Si4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.039","0.0296","","","0.077","0.0797","","","","","","1.044","","","","has coordinates","266855","2021-07-01","07:26:56",""
"1563830","9.3138","0.0003","10.8417","0.0005","16.9196","0.0005","90","","90","","90","","1708.5","0.11","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl Ge N O3 -","- C17 H18 Cl Ge N O3 -","- C68 H72 Cl4 Ge4 N4 O12 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0258","0.0229","","","0.0561","0.0575","","","","","","1.039","","","","has coordinates","266856","2021-07-01","07:28:52",""
"1563831","17.1006","0.0004","17.1006","0.0004","12.5741","0.0003","90","","90","","120","","3184.42","0.13","153","2","153","2","","","","","","","","6","P 32","P 32","145","","","","- C41 H51 Cl3 N2 O6 Si2 -","- C41 H51 Cl3 N2 O6 Si2 -","- C123 H153 Cl9 N6 O18 Si6 -","3","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.097","0.0723","","","0.1828","0.2061","","","","","","1.068","","","","has coordinates,has disorder","266857","2021-07-01","07:32:05",""
"1563832","11.4185","0.0005","12.0876","0.0006","16.5054","0.0008","110.74","0.004","100.151","0.004","100.061","0.004","2026.38","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H81 Cl3 Ge4 N4 O14 -","- C89 H81 Cl3 Ge4 N4 O14 -","- C89 H81 Cl3 Ge4 N4 O14 -","1","0.5","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0812","0.0564","","","0.158","0.1726","","","","","","0.961","","","","has coordinates,has disorder","266858","2021-07-01","07:34:00",""
"1563833","11.1573","0.0006","10.9549","0.0004","12.3044","0.0006","90","","110.141","0.006","90","","1411.96","0.13","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H17 Mo N O5 -","- C12 H17 Mo N O5 -","- C48 H68 Mo4 N4 O20 -","4","2","","Romanowski, Grzegorz; Kira, Jaromir; Wera, Michał","Synthesis, structure, spectroscopic characterization and catalytic activity of chiral dioxidomolybdenum(VI) Schiff base complexes derived from R(−)-2-amino-1-propanol","Inorganica Chimica Acta","2018","483","","156","164","10.1016/j.ica.2018.08.022","","","0.71073","MoKα","","0.0336","0.0309","","","0.0778","0.08","","","","","","1.042","","","","has coordinates","266860","2021-07-01","08:23:53",""
"1563834","25.5881","0.001","16.9272","0.0006","21.7201","0.0008","90","","107.462","0.001","90","","8974.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H60 Cd2 N8 O8 -","- C74 H60 Cd2 N8 O8 -","- C296 H240 Cd8 N32 O32 -","4","1","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.0543","0.0383","","","0.1065","0.112","","","","","","0.986","","","","has coordinates","266861","2021-07-01","08:31:53",""
"1563835","7.4855","0.0005","26.1992","0.0018","16.9358","0.0012","90","","95.889","0.001","90","","3303.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cd N4 O6 S -","- C37 H30 Cd N4 O6 S -","- C148 H120 Cd4 N16 O24 S4 -","4","1","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.0452","0.0323","","","0.0865","0.0974","","","","","","1.065","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1563836","7.9108","0.0004","25.748","0.0012","16.701","0.0008","90","","99.572","0.001","90","","3354.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Cd N4 O6 -","- C37 H30 Cd N4 O6 -","- C148 H120 Cd4 N16 O24 -","4","1","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.0584","0.0409","","","0.0983","0.1152","","","","","","1.163","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1563837","12.1034","0.0006","14.2306","0.0006","18.0063","0.0008","88.369","0.001","79.341","0.001","84.21","0.001","3032.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 Cd2 N8 O9 -","- C70 H56 Cd2 N8 O9 -","- C140 H112 Cd4 N16 O18 -","2","1","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.0385","0.0285","","","0.0783","0.0973","","","","","","1.189","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1563838","16.6643","0.0004","16.6643","0.0004","24.88","0.0013","90","","90","","90","","6909.1","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C70 H62 Cd2 N8 O11 -","- C70 H56 Cd2 N8 O11 -","- C280 H224 Cd8 N32 O44 -","4","0.5","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.065","0.0556","","","0.1485","0.1539","","","","","","1.097","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1563839","12.1565","0.0006","11.5144","0.0005","20.0637","0.0009","90","","100.2","0.001","90","","2764","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cd N4 O5 S -","- C29 H24 Cd N4 O5 S -","- C116 H96 Cd4 N16 O20 S4 -","4","1","","Sun, Shaowen; Sun, Yingying; Guo, Huadong; Fu, Xirao; Guo, Mingming; Liu, Siyu; Guo, Xianmin; Zhang, Liang; Alexandrov, Eugeny V.","Construction of Cd(II) coordination polymers from a fluorene-based bisimidazole ligand and polycarboxylic acids: syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","165","172","10.1016/j.ica.2018.08.018","","","0.71073","MoKα","","0.0293","0.0221","","","0.0617","0.0792","","","","","","1.23","","","","has coordinates","266861","2021-07-01","08:31:54",""
"1563840","8.2333","0.0006","13.8748","0.001","15.4854","0.0012","74.333","0.006","87.808","0.006","80.618","0.006","1680.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Br3 Mn3 N3.5 O14 -","- C21 H20 Br3 Mn3 N3.5 O14 -","- C42 H40 Br6 Mn6 N7 O28 -","2","1","","Dolai, Malay; Saha, Urmila; Suresh Kumar, Gopinatha; Zangrando, Ennio; Ali, Mahammad","Synthesis, structure and DNA binding studies of oxime based [Mn3(µ3-O)]7+ complex","Inorganica Chimica Acta","2018","483","","211","217","10.1016/j.ica.2018.07.050","","","0.71073","MoKα","","0.2185","0.0943","","","0.2163","0.2793","","","","","","1.012","","","","has coordinates","266862","2021-07-01","08:36:50",""
"1563841","11.855","0.004","11.855","0.004","18.922","0.005","90","","90","","90","","2659.3","1.5","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H23 N2 O2 P -","- C10 H23 N2 O2 P -","- C80 H184 N16 O16 P8 -","8","1","","Skarżyńska, Anna; Gniewek, Andrzej","From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry","Inorganica Chimica Acta","2018","483","","248","251","10.1016/j.ica.2018.08.033","","","0.71073","MoKα","","0.0472","0.0365","","","0.0739","0.0767","","","","","","1.022","","","","has coordinates","266863","2021-07-01","08:42:54",""
"1563842","18.158","0.006","9.728","0.004","9.402","0.004","90","","90","","90","","1660.8","1.1","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl N2 O4 P Pd -","- C10 H26 Cl N2 O4 P Pd -","- C40 H104 Cl4 N8 O16 P4 Pd4 -","4","1","","Skarżyńska, Anna; Gniewek, Andrzej","From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry","Inorganica Chimica Acta","2018","483","","248","251","10.1016/j.ica.2018.08.033","","","0.71073","MoKα","","0.0511","0.0474","","","0.118","0.1198","","","","","","1.034","","","","has coordinates","266863","2021-07-01","08:42:54",""
"1563843","8.0211","0.0008","9.5947","0.0009","23.143","0.002","83.253","0.002","88.625","0.002","68.291","0.002","1642.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H62 Cl4 Hg2 N14 O10 -","- C66 H62 Cl4 Hg2 N14 O10 -","- C66 H62 Cl4 Hg2 N14 O10 -","1","0.5","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.0741","0.0506","","","0.1169","0.1234","","","","","","1.034","","","","has coordinates","266864","2021-07-01","08:51:40",""
"1563844","13.736","0.002","12.6224","0.0017","11.9852","0.0018","90","","107.038","0.005","90","","1986.8","0.5","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H36 Br2 Hg N6 O6 S2 -","- C34 H36 Br2 Hg N6 O6 S2 -","- C68 H72 Br4 Hg2 N12 O12 S4 -","2","0.5","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.0429","0.0353","","","0.0894","0.0931","","","","","","1.04","","","","has coordinates","266864","2021-07-01","08:51:43",""
"1563845","7.523","0.003","10.294","0.004","22.424","0.009","81.973","0.013","86.759","0.011","70.58","0.011","1621.6","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N7 O7 -","- C33 H35 N7 O7 -","- C66 H70 N14 O14 -","2","1","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.1792","0.0771","","","0.1816","0.2184","","","","","","0.958","","","","has coordinates","266864","2021-07-01","08:51:43",""
"1563846","14.3314","0.0014","14.7603","0.0014","12.1194","0.0012","90","","90","","90","","2563.7","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H24 N6 O4 -","- C30 H24 N6 O4 -","- C120 H96 N24 O16 -","4","1","","Huang, Chao; Yang, Jin; Chen, Jin-Lian; Chen, Dong-Mei; Zhu, Bi-Xue","Synthesis and crystal structures of metallomacrocyclic and helical Hg(II) complexes with two bis(pyridylurea) ligands","Inorganica Chimica Acta","2018","483","","252","257","10.1016/j.ica.2018.08.020","","","0.71073","MoKα","","0.0612","0.0439","","","0.1014","0.1088","","","","","","1.004","","","","has coordinates","266864","2021-07-01","08:51:43",""
"1563847","41.887","0.006","9.0663","0.0011","25.397","0.003","90","","105.335","0.003","90","","9301","2","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H67 Cl Co N10 O5.5 S2 -","- C36 H64 Cl Co N10 O5.5 S2 -","- C288 H512 Cl8 Co8 N80 O44 S16 -","8","1","","Saha, Manan; Biswas, Jayanta Kumar; Mondal, Monojit; Ghosh, Debarati; Mandal, Susmita; Cordes, David B.; Slawin, Alexandra M.Z.; Mandal, Tarun Kanti; Saha, Nitis Chandra","Synthesis, characterization and antimicrobial activities of Co(III) and Ni(II) complexes with 5-methyl-3-formylpyrazole-N(4)-dihexylthiosemicarbazone (HMPzNHex2): X-ray crystallography and DFT calculations of [Co(MPzNHex2)2]ClO4·1.5H2O (I) and [Ni(HMPzNHex2)2]Cl2·2H2O (II)","Inorganica Chimica Acta","2018","483","","271","283","10.1016/j.ica.2018.08.024","","","0.71075","MoKα","","0.0973","0.0571","","","0.1429","0.1645","","","","","","1.022","","","","has coordinates,has disorder","266865","2021-07-01","09:00:46",""
"1563848","10.867","0.004","13.428","0.005","17.055","0.005","77.16","0.02","74.464","0.019","86.8","0.02","2337.8","1.4","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H70 Cl2 N10 Ni O2 S2 -","- C36 H66 Cl2 N10 Ni O2 S2 -","- C72 H132 Cl4 N20 Ni2 O4 S4 -","2","1","","Saha, Manan; Biswas, Jayanta Kumar; Mondal, Monojit; Ghosh, Debarati; Mandal, Susmita; Cordes, David B.; Slawin, Alexandra M.Z.; Mandal, Tarun Kanti; Saha, Nitis Chandra","Synthesis, characterization and antimicrobial activities of Co(III) and Ni(II) complexes with 5-methyl-3-formylpyrazole-N(4)-dihexylthiosemicarbazone (HMPzNHex2): X-ray crystallography and DFT calculations of [Co(MPzNHex2)2]ClO4·1.5H2O (I) and [Ni(HMPzNHex2)2]Cl2·2H2O (II)","Inorganica Chimica Acta","2018","483","","271","283","10.1016/j.ica.2018.08.024","","","0.71075","MoKα","","0.2851","0.1707","","","0.4093","0.4666","","","","","","1.069","","","","has coordinates,has disorder","266866","2021-07-01","09:01:53",""
"1563849","10.9634","0.0005","17.2987","0.0007","20.465","0.0008","69.448","0.002","82.838","0.002","81.129","0.003","3580.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cd F2 I2 N6 S2 -","- C32 H28 Cd F2 I2 N6 S2 -","- C128 H112 Cd4 F8 I8 N24 S8 -","4","2","","Rosa, Persiely P.; Laranjeira, Guilherme B.; Favarin, Lis R.V.; Pizzuti, Lucas; Júnior, Amilcar M.; Pinto, L.M.C.; Gatto, Claudia C.; Caires, Anderson R.L.; Oliveira, Carolina G.; Deflon, Victor M.; Casagrande, Gleison Antônio","Synthesis, crystalline structures and photophysical properties of new cadmium iodide complexes with thiocarbamoyl-pyrazoline ligands","Inorganica Chimica Acta","2018","483","","293","298","10.1016/j.ica.2018.08.038","","x-ray","0.71073","MoKα","","0.0939","0.058","","","0.1442","0.1702","","","","","","1.038","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563850","10.7006","0.0002","13.6547","0.0003","14.9916","0.0003","63.202","0.001","69.591","0.001","76.866","0.001","1826.06","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H28 Cd Cl2 I2 N6 S2 -","- C32 H28 Cd Cl2 I2 N6 S2 -","- C64 H56 Cd2 Cl4 I4 N12 S4 -","2","1","","Rosa, Persiely P.; Laranjeira, Guilherme B.; Favarin, Lis R.V.; Pizzuti, Lucas; Júnior, Amilcar M.; Pinto, L.M.C.; Gatto, Claudia C.; Caires, Anderson R.L.; Oliveira, Carolina G.; Deflon, Victor M.; Casagrande, Gleison Antônio","Synthesis, crystalline structures and photophysical properties of new cadmium iodide complexes with thiocarbamoyl-pyrazoline ligands","Inorganica Chimica Acta","2018","483","","293","298","10.1016/j.ica.2018.08.038","","x-ray","0.71073","MoKα","","0.0491","0.031","","","0.0556","0.061","","","","","","1.074","","","","has coordinates","266867","2021-07-01","09:09:48",""
"1563851","11.0532","0.0009","17.219","0.0017","21.53","0.0017","68.392","0.003","83.373","0.005","81.249","0.005","3757.5","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H34 Cd I2 N6 O2 S2 -","- C34 H34 Cd I2 N6 O2 S2 -","- C136 H136 Cd4 I8 N24 O8 S8 -","4","2","","Rosa, Persiely P.; Laranjeira, Guilherme B.; Favarin, Lis R.V.; Pizzuti, Lucas; Júnior, Amilcar M.; Pinto, L.M.C.; Gatto, Claudia C.; Caires, Anderson R.L.; Oliveira, Carolina G.; Deflon, Victor M.; Casagrande, Gleison Antônio","Synthesis, crystalline structures and photophysical properties of new cadmium iodide complexes with thiocarbamoyl-pyrazoline ligands","Inorganica Chimica Acta","2018","483","","293","298","10.1016/j.ica.2018.08.038","","x-ray","0.71073","MoKα","","0.1261","0.083","","","0.2376","0.2715","","","","","","1.078","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563852","18.971","0.003","15.5933","0.0016","19.549","0.003","90","","101.681","0.013","90","","5663.2","1.4","293","","293","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 N10 O14 Sm -","- C48 H58 Br Cu2 N10 O14 Sm -","- C192 H232 Br4 Cu8 N40 O56 Sm4 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0956","0.0468","","","0.0947","0.1379","","","","","","1.026","","","","has coordinates,has Fobs","266868","2021-07-01","09:25:56",""
"1563853","18.972","0.011","15.53","0.008","19.512","0.009","90","","101.8","0.04","90","","5627","5","293","","293","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Eu N10 O14 -","- C48 H58 Br Cu2 Eu N10 O14 -","- C192 H232 Br4 Cu8 Eu4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0747","0.0544","","","0.1439","0.1609","","","","","","0.947","","","","has coordinates,has Fobs","266869","2021-07-01","09:28:36",""
"1563854","18.95","0.03","15.55","0.02","19.36","0.03","90","","101.39","0.03","90","","5593","14","566","2","293.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Gd N10 O14 -","- C48 H58 Br Cu2 Gd N10 O14 -","- C192 H232 Br4 Cu8 Gd4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0828","0.0707","","","0.1654","0.1751","","","","","","1.053","","","","has coordinates,has Fobs","266870","2021-07-01","09:30:41",""
"1563855","18.92","0.004","15.464","0.002","19.388","0.003","90","","101.707","0.015","90","","5554.5","1.7","293","","293","","","","","","","","","7","I 1 2/c 1","-I 2yc","15","","","","- C48 H58 Br Cu2 N10 O14 Tb -","- C48 H58 Br Cu2 N10 O14 Tb -","- C192 H232 Br4 Cu8 N40 O56 Tb4 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0689","0.0514","","","0.0888","0.096","","","","","","1.171","","","","has coordinates,has Fobs","266871","2021-07-01","09:32:58",""
"1563856","18.968","0.013","15.522","0.009","19.472","0.011","90","","101.58","0.05","90","","5616","6","293","2","293.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H58 Br Cu2 Dy N10 O14 -","- C48 H58 Br Cu2 Dy N10 O14 -","- C192 H232 Br4 Cu8 Dy4 N40 O56 -","4","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0502","0.0417","","","0.0899","0.0944","","","","","","1.097","","","","has coordinates,has Fobs","266872","2021-07-01","09:34:47",""
"1563857","22.456","0.014","24.961","0.016","12.63","0.008","90","","90","","90","","7079","8","293","","293","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H25 Cu Er N5 O9 -","- C28 H25 Cu Er N5 O9 -","- C224 H200 Cu8 Er8 N40 O72 -","8","0.5","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0473","0.0404","","","0.1069","0.1134","","","","","","1.112","","","","has coordinates,has Fobs","266873","2021-07-01","09:37:18",""
"1563858","12.506","0.012","22.88","0.02","24.7","0.02","90","","90","","90","","7068","11","566","2","566.3","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C24 H16 Cu N4 O8 Yb -","- C24 H16 Cu N4 O8 Yb -","- C192 H128 Cu8 N32 O64 Yb8 -","8","0.25","","Xiong, Gang; Qi, Dan; He, Yongke; You, Lixin; Ren, Baoyi; Sun, Yaguang","Lanthanide contraction and anion-controlled structure diversity in two types of novel 3d-4f heterometallic coordination polymers: Crystal structure and magnetic properties","Inorganica Chimica Acta","2018","483","","299","304","10.1016/j.ica.2018.08.044","","","0.71073","MoKα","","0.0858","0.0746","","","0.1704","0.1827","","","","","","1.048","","","","has coordinates,has Fobs","266874","2021-07-01","09:38:47",""
"1563869","10.9426","0.0002","13.3077","0.0003","11.2608","0.0003","90","","97.709","0.002","90","","1624.99","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H42 Br2 Cl2 N2 Ni -","- C33 H42 Br2 Cl2 N2 Ni -","- C66 H84 Br4 Cl4 N4 Ni2 -","2","1","","Viganò, Marta; Ferretti, Francesco; Ragaini, Fabio; Macchi, Piero","A chiral ligand accessible in one step: Synthesis of bis-((R)-(+)-bornyl)acenaphthenequinonediimine and of its zinc and nickel complexes","Inorganica Chimica Acta","2018","483","","305","309","10.1016/j.ica.2018.08.049","","","0.71069","MoKα","","0.0841","0.0661","","","0.164","0.182","","","","","","1.017","","","","has coordinates","266889","2021-07-02","07:16:11",""
"1563870","9.9123","0.0006","10.5448","0.0007","11.1278","0.0006","78.944","0.005","74.356","0.005","70.717","0.006","1050.42","0.12","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N2 S4 Zn -","- C22 H16 N2 S4 Zn -","- C44 H32 N4 S8 Zn2 -","2","1","","Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt","DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands","Inorganica Chimica Acta","2018","483","","310","320","10.1016/j.ica.2018.08.037","","x-ray","1.54184","CuKα","","0.0268","0.026","","","0.0697","0.0703","","","","","","1.088","","","","has coordinates","266890","2021-07-02","07:21:10",""
"1563871","13.2773","0.0005","13.6247","0.0007","14.428","0.0006","90","","111.985","0.003","90","","2420.22","0.19","140","2","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Br2 N2 S2 Zn -","- C26 H18 Br2 N2 S2 Zn -","- C104 H72 Br8 N8 S8 Zn4 -","4","1","","Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt","DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands","Inorganica Chimica Acta","2018","483","","310","320","10.1016/j.ica.2018.08.037","","","0.71073","MoKα","","0.0803","0.0495","","","0.1216","0.1464","","","","","","1.06","","","","has coordinates","266891","2021-07-02","07:24:06",""
"1563872","11.2204","0.0001","21.2286","0.0002","11.9095","0.0002","90","","103.462","0.001","90","","2758.82","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 S2 Zn -","- C30 H28 N2 O4 S2 Zn -","- C120 H112 N8 O16 S8 Zn4 -","4","1","","Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt","DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands","Inorganica Chimica Acta","2018","483","","310","320","10.1016/j.ica.2018.08.037","","","0.69701","synchrotron","","0.0313","0.0299","","","0.0889","0.0901","","","","","","1.093","","","","has coordinates,has disorder","266892","2021-07-02","07:27:17",""
"1563873","10.1979","0.0002","18.1973","0.0003","11.2886","0.0002","90","","98.958","0.002","90","","2069.32","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 S4 -","- C22 H16 N2 S4 -","- C88 H64 N8 S16 -","4","1","","Asadizadeh, Saeedeh; Amirnasr, Mehdi; Fadaei Tirani, Farzaneh; Mansouri, Alireza; Schenk, Kurt","DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands","Inorganica Chimica Acta","2018","483","","310","320","10.1016/j.ica.2018.08.037","","","0.6957","synchrotron","","0.0384","0.0375","","","0.1","0.1008","","","","","","1.122","","","","has coordinates,has disorder","266893","2021-07-02","07:28:36",""
"1563874","8.61484","0.00015","17.3362","0.0003","18.2674","0.0003","90","","98.3299","0.0015","90","","2699.43","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl2 N6 O2 Ru -","- C22 H36 Cl2 N6 O2 Ru -","- C88 H144 Cl8 N24 O8 Ru4 -","4","1","","Djukić, Maja; Jeremić, Marija S.; Jelić, Ratomir; Klisurić, Olivera; Kojić, Vesna; Jakimov, Dimitar; Djurdjević, Predrag; Matović, Zoran D.","Further insights into ruthenium(II) piano-stool complexes with N-alkyl imidazoles","Inorganica Chimica Acta","2018","483","","359","370","10.1016/j.ica.2018.08.031","","","0.71073","MoKα","","0.0364","0.0293","","","0.0663","0.0695","","","","","","1.044","","","","has coordinates","266894","2021-07-02","07:42:05",""
"1563875","9.9409","0.0005","13.0337","0.0005","15.5195","0.0007","67.22","0.004","85.967","0.004","75.689","0.004","1795.71","0.15","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H48 Cl4 N4 Ru2 -","- C32 H48 Cl4 N4 Ru2 -","- C64 H96 Cl8 N8 Ru4 -","2","1","","Djukić, Maja; Jeremić, Marija S.; Jelić, Ratomir; Klisurić, Olivera; Kojić, Vesna; Jakimov, Dimitar; Djurdjević, Predrag; Matović, Zoran D.","Further insights into ruthenium(II) piano-stool complexes with N-alkyl imidazoles","Inorganica Chimica Acta","2018","483","","359","370","10.1016/j.ica.2018.08.031","","","0.71073","MoKα","","0.0623","0.0364","","","0.061","0.0671","","","","","","0.977","","","","has coordinates,has disorder","266894","2021-07-02","07:42:09",""
"1563876","8.728","0.003","18.134","0.006","18.107","0.007","90","","91.371","0.01","90","","2865","1.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Br Cl2 Cu N6 -","- C29 H24 Br Cl2 Cu N6 -","- C116 H96 Br4 Cl8 Cu4 N24 -","4","1","","Mahmoud, Abdallah G.; Martins, Luísa M.D.R.S.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J.L.","Copper complexes bearing C-scorpionate ligands: Synthesis, characterization and catalytic activity for azide-alkyne cycloaddition in aqueous medium","Inorganica Chimica Acta","2018","483","","371","378","10.1016/j.ica.2018.08.052","","","0.71073","MoKα","","0.2374","0.0768","","","0.1531","0.2052","","","","","","1.003","","","","has coordinates","266895","2021-07-02","07:46:05",""
"1563877","9.6279","0.0009","10.6309","0.001","14.083","0.0014","69.19","0.002","77.088","0.002","87.689","0.002","1312.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 Fe N3 O3 S2 -","- C30 H25 Fe N3 O3 S2 -","- C60 H50 Fe2 N6 O6 S4 -","2","1","","Huang, Hongwei; Xin, Zhaohui; Yuan, Lin; Wang, Bin-Yong; Cao, Qian-Yong","New ferrocene-pyrene dyads bearing amide/thiourea hybrid donors for anion recognition","Inorganica Chimica Acta","2018","483","","425","430","10.1016/j.ica.2018.08.055","","","0.71073","MoKα","","0.0654","0.0571","","","0.1511","0.1628","","","","","","1.032","","","","has coordinates","266896","2021-07-02","07:51:46",""
"1563878","26.0315","0.0013","7.4474","0.0004","13.5391","0.0006","90","","96.051","0.003","90","","2610.2","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cu N2 O S2 -","- C12 H12 Cu N2 O S2 -","- C96 H96 Cu8 N16 O8 S16 -","8","1","","Lima, Francielle C.; Silva, Thayná S.; Martins, Carlos H.G.; Gatto, Claudia C.","Synthesis, crystal structures and antimicrobial activity of dimeric copper(II) complexes with 2-hydroxyphenyl-ethylidene-dithiocarbazates","Inorganica Chimica Acta","2018","483","","464","472","10.1016/j.ica.2018.08.032","","","0.71073","MoKα","","0.0435","0.0322","","","0.0806","0.0874","","","","","","1.064","","","","has coordinates","266897","2021-07-02","07:59:22",""
"1563879","31.4068","0.0012","7.3176","0.0003","13.4754","0.0005","90","","98.698","0.002","90","","3061.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cu N2 O S2 -","- C16 H14 Cu N2 O S2 -","- C128 H112 Cu8 N16 O8 S16 -","8","1","","Lima, Francielle C.; Silva, Thayná S.; Martins, Carlos H.G.; Gatto, Claudia C.","Synthesis, crystal structures and antimicrobial activity of dimeric copper(II) complexes with 2-hydroxyphenyl-ethylidene-dithiocarbazates","Inorganica Chimica Acta","2018","483","","464","472","10.1016/j.ica.2018.08.032","","","0.71073","MoKα","","0.113","0.0486","","","0.0886","0.1104","","","","","","1.055","","","","has coordinates","266897","2021-07-02","07:59:23",""
"1563880","5.3817","0.0003","8.4286","0.0004","15.1859","0.0007","88.2","0.003","83.616","0.002","78.528","0.003","670.86","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O S2 -","- C12 H14 N2 O S2 -","- C24 H28 N4 O2 S4 -","2","1","","Lima, Francielle C.; Silva, Thayná S.; Martins, Carlos H.G.; Gatto, Claudia C.","Synthesis, crystal structures and antimicrobial activity of dimeric copper(II) complexes with 2-hydroxyphenyl-ethylidene-dithiocarbazates","Inorganica Chimica Acta","2018","483","","464","472","10.1016/j.ica.2018.08.032","","","0.71073","MoKα","","0.0721","0.0435","","","0.1142","0.1297","","","","","","1.109","","","","has coordinates","266897","2021-07-02","07:59:23",""
"1563881","9.998","0.002","11.005","0.002","11.883","0.002","86.1","0.03","74.54","0.03","68.36","0.03","1170.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Eu N O10 -","- C21 H13 Eu N O10 -","- C42 H26 Eu2 N2 O20 -","2","1","","Shi, Xiangxiang; Fan, Yong; Xu, Jianing; Qi, Hui; Chai, Juan; Sun, Jing; Jin, Haoqing; Chen, Xiaodong; Zhang, Ping; Wang, Li","Layer-structured lanthanide coordination polymers constructed from 3,5-bis(3,5-dicarboxylphenyl)-pyridine ligand as fluorescent probe for nitroaromatics and metal ions","Inorganica Chimica Acta","2018","483","","473","479","10.1016/j.ica.2018.08.050","","","0.71073","MoKα","","0.0272","0.0253","","","0.0823","0.0837","","","","","","1.201","","","","has coordinates","266898","2021-07-02","08:12:35",""
"1563882","9.9749","0.0003","10.9875","0.0004","11.8618","0.0004","86.265","0.001","74.623","0.001","68.25","0.001","1163.47","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H0 Gd N0 O11 -","- C21 H9 Gd N O10 -","- C42 H18 Gd2 N2 O20 -","2","1","","Shi, Xiangxiang; Fan, Yong; Xu, Jianing; Qi, Hui; Chai, Juan; Sun, Jing; Jin, Haoqing; Chen, Xiaodong; Zhang, Ping; Wang, Li","Layer-structured lanthanide coordination polymers constructed from 3,5-bis(3,5-dicarboxylphenyl)-pyridine ligand as fluorescent probe for nitroaromatics and metal ions","Inorganica Chimica Acta","2018","483","","473","479","10.1016/j.ica.2018.08.050","","","0.71073","MoKα","","0.0589","0.0578","","","0.1727","0.1736","","","","","","1.076","","","","has coordinates","266898","2021-07-02","08:12:36",""
"1563883","10.033","0.002","10.91","0.002","11.553","0.002","81.64","0.03","70.32","0.03","68.73","0.03","1109.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H0 N O10 Tb -","- C21 N O10 Tb -","- C42 N2 O20 Tb2 -","2","1","","Shi, Xiangxiang; Fan, Yong; Xu, Jianing; Qi, Hui; Chai, Juan; Sun, Jing; Jin, Haoqing; Chen, Xiaodong; Zhang, Ping; Wang, Li","Layer-structured lanthanide coordination polymers constructed from 3,5-bis(3,5-dicarboxylphenyl)-pyridine ligand as fluorescent probe for nitroaromatics and metal ions","Inorganica Chimica Acta","2018","483","","473","479","10.1016/j.ica.2018.08.050","","","0.71073","MoKα","","0.0697","0.066","","","0.2249","0.2292","","","","","","1.886","","","","has coordinates","266898","2021-07-02","08:12:36",""
"1563884","17.1513","0.0014","16.799","0.0016","25.158","0.002","90","","106.246","0.007","90","","6959.2","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl2 N12 Ni18 O82 -","- C72 H110 Cl2 N12 Ni18 O82 -","- C144 H220 Cl4 N24 Ni36 O164 -","2","0.5","","Shvachko, Yu.N.; Starichenko, D.V.; Korolev, A.V.; Pestov, A.V.; Slepukhin, P.A.; Boukhvalov, D.W.","Planar polycubane single-molecule magnet [Ni6(pymeid)6Ni12(OH)6(µ3OH)16Cl2 (H2O)2]·38H2O: Experiment and theory","Inorganica Chimica Acta","2018","483","","480","487","10.1016/j.ica.2018.08.035","","","0.71073","MoKα","","0.1769","0.0692","","","0.1592","0.1745","","","","","","1.034","","","","has coordinates,has disorder","266899","2021-07-02","08:47:21",""
"1563885","11.0692","0.0003","18.1814","0.0005","19.1296","0.0006","85.968","0.003","83.894","0.003","82.874","0.003","3792.12","0.19","121","6","121","6","","","","","","","","6","P -1","-P 1","2","","","","- C119 H57 Cl Co O P4 -","- C119 H57 Cl Co O P4 -","- C238 H114 Cl2 Co2 O2 P8 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Andronov, Mikhail G.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Distortion and electronic structure of ordered C60•− radical anions in the salt with {CoI(dppe)2CO}+ cations (dppe: 1,2-bis(diphenylphosphino)ethane)","Inorganica Chimica Acta","2018","483","","504","509","10.1016/j.ica.2018.08.046","","x-ray","0.71073","MoKα","","0.0824","0.055","","","0.1178","0.1331","","","","","","1.019","","","","has coordinates,has disorder","266900","2021-07-02","08:53:46",""
"1563886","22.2772","0.001","32.5146","0.0013","21.086","0.001","90","","112.323","0.0016","90","","14128.7","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H74 Fe2 K N10 O8.5 -","- C50 H74 Fe2 K N10 O8.5 -","- C400 H592 Fe16 K8 N80 O68 -","8","1","","Cook, Brian J.; Polezhaev, Alexander V.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","A multimetal-ligand cooperative approach to CO2 activation","Inorganica Chimica Acta","2018","483","","510","515","10.1016/j.ica.2018.08.039","","","0.71073","MoKα","","0.1009","0.072","","0.1991","0.1736","0.1991","","","","","","0.9578","","","","has coordinates,has disorder","266901","2021-07-02","09:03:37",""
"1563887","15.7062","0.0007","21.3807","0.001","27.0892","0.0013","90","","98.848","0.002","90","","8988.6","0.7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H110 Fe3 N24 O5 -","- C82.001 H110.003 Fe3 N24.001 O5 -","- C328.004 H440.012 Fe12 N96.004 O20 -","4","1","","Cook, Brian J.; Polezhaev, Alexander V.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","A multimetal-ligand cooperative approach to CO2 activation","Inorganica Chimica Acta","2018","483","","510","515","10.1016/j.ica.2018.08.039","","","0.71073","MoKα","","0.0966","0.0553","","0.1556","0.1317","0.1555","","","","","","0.9491","","","","has coordinates,has disorder","266901","2021-07-02","09:03:38",""
"1563888","28.0344","0.0015","26.8828","0.0013","16.7433","0.0009","90","","123.909","0.002","90","","10472.4","1","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C96 H136 Cl2 Fe4 Li2 N20 O7 -","- C96 H136 Cl2 Fe4 Li2 N20 O7 -","- C384 H544 Cl8 Fe16 Li8 N80 O28 -","4","0.5","","Cook, Brian J.; Polezhaev, Alexander V.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","A multimetal-ligand cooperative approach to CO2 activation","Inorganica Chimica Acta","2018","483","","510","515","10.1016/j.ica.2018.08.039","","","0.71073","MoKα","","0.1272","0.0599","","","0.141","0.1705","","","","","","1.022","","","","has coordinates,has disorder","266901","2021-07-02","09:03:38",""
"1563889","8.4181","0.0002","8.4352","0.0002","9.3843","0.0003","84.094","0.001","79.829","0.001","73.518","0.001","627.96","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","- C26 H28 Co N4 O6 -","1","0.5","","Kawade, Vitthal A.; Bhat, Satish S.; Tayade, Sakharam B.; Kumbhar, Avinash S.","A one-dimensional self-assembled porous coordination polymer poly[bis(picolinato-N,O)(µ-1,2-bis(4-pyridyl)ethane-N,N′)cobalt(II)] dimethanol","Inorganica Chimica Acta","2018","483","","539","543","10.1016/j.ica.2018.09.006","","","1.54178","CuKα","","0.0382","0.0375","","","0.0966","0.0976","","","","","","1.022","","","","has coordinates","266902","2021-07-02","09:33:35",""
"1563890","15.2933","0.0015","19.8455","0.0019","24.054","0.002","90","","95.439","0.001","90","","7267.6","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H72 Cd4 Ge8 N12 O56 V12 -","- C12 H48 Cd4 Ge8 N12 O56 V12 -","- C48 H192 Cd16 Ge32 N48 O224 V48 -","4","0.5","","Cao, Jia-Peng; Cui, Chen-Hui; Luo, Xi-Ming; Li, Ning-Fang; Xu, Yi; Xu, Yan","Polyoxovanadatogermanates-based photoelectric bifunctional materials: The ratio of V12Ge8 and V24Ge16 controlled by solvent","Inorganica Chimica Acta","2018","483","","544","549","10.1016/j.ica.2018.09.005","","","0.71073","MoKα","","0.0292","0.0251","","","0.0591","0.0606","","","","","","1.045","","","","has coordinates","266903","2021-07-02","09:37:37",""
"1563891","14.247","0.002","20.873","0.003","44.811","0.007","90","","93.526","0.002","90","","13301","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H118 Cd8 Ge16 N22 O103 V24 -","- C22 H88 Cd8 Ge16 N22 O103 V24 -","- C88 H352 Cd32 Ge64 N88 O412 V96 -","4","0.5","","Cao, Jia-Peng; Cui, Chen-Hui; Luo, Xi-Ming; Li, Ning-Fang; Xu, Yi; Xu, Yan","Polyoxovanadatogermanates-based photoelectric bifunctional materials: The ratio of V12Ge8 and V24Ge16 controlled by solvent","Inorganica Chimica Acta","2018","483","","544","549","10.1016/j.ica.2018.09.005","","","0.71073","MoKα","","0.0695","0.0463","","","0.113","0.1225","","","","","","1.052","","","","has coordinates,has disorder","266904","2021-07-02","09:39:05",""
"1563892","16.0888","0.0005","11.0908","0.0004","20.9833","0.0007","90","","93.213","0.002","90","","3738.3","0.2","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H54 N12 O12 P3 Sm -","- C18 H54 N12 O12 P3 Sm -","- C72 H216 N48 O48 P12 Sm4 -","4","2","","Bukvetskii, B.V.; Mirochnik, A.G.; Zhikhareva, P.A.","Structural model for intrinsic mechanoluminescence of Sm(III) complex","Inorganica Chimica Acta","2018","483","","565","570","10.1016/j.ica.2018.09.010","","x-ray","0.71073","MoKα","","0.0211","0.0201","","","0.0461","0.0465","","","","","","1.024","","","","has coordinates,has disorder","266905","2021-07-02","09:43:02",""
"1563893","13.6684","0.0011","16.8886","0.0014","21.082","0.002","95.376","0.005","100.337","0.004","103.995","0.004","4597.3","0.7","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H73 Cl2 Mn6 N13 O19.5 -","- C93 H73 Cl2 Mn6 N13 O19.5 -","- C186 H146 Cl4 Mn12 N26 O39 -","2","1","","Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George","Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity","Inorganica Chimica Acta","2018","483","","579","592","10.1016/j.ica.2018.09.001","","","0.71073","MoKα","","0.0746","0.0353","","0.0731","0.0632","0.0632","","","","","","0.9999","","","","has coordinates","266906","2021-07-02","09:50:21",""
"1563894","14.4804","0.0006","25.2609","0.001","25.7581","0.001","84.168","0.002","74.637","0.002","78.393","0.002","8887.9","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C172 H136 Mn12 N22 O45 -","- C172 H136 Mn12 N22 O45 -","- C344 H272 Mn24 N44 O90 -","2","1","","Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George","Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity","Inorganica Chimica Acta","2018","483","","579","592","10.1016/j.ica.2018.09.001","","","0.71073","MoKα","","0.0855","0.0552","","0.0811","0.0771","0.0771","","","","","","0.9999","","","","has coordinates,has disorder","266906","2021-07-02","09:50:32",""
"1563895","12.6469","0.0007","7.5803","0.0004","14.6103","0.0008","90","","109.496","0.002","90","","1320.34","0.13","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H30 Mn O7 -","- C29 H30 Mn O7 -","- C58 H60 Mn2 O14 -","2","1","","Tarushi, Alketa; Zampakou, Marianthi; Perontsis, Spyros; Lafazanis, Konstantinos; Pantazaki, Anastasia A.; Hatzidimitriou, Antonios G.; Geromichalos, George D.; Psomas, George","Manganese(II) complexes of tolfenamic acid or naproxen in polymeric structures or encapsulated in [15-MC-5] manganese(III) metallacrowns: Structure and biological activity","Inorganica Chimica Acta","2018","483","","579","592","10.1016/j.ica.2018.09.001","","","0.71073","MoKα","","0.0545","0.0358","","0.0715","0.0637","0.0637","","","","","","1","","","","has coordinates","266906","2021-07-02","09:50:37",""
"1563896","6.251","0.0005","11.9939","0.0008","21.6395","0.0018","90","","95.402","0.004","90","","1615.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Cu3 N20 -","- C3 H10 Cu3 N20 -","- C12 H40 Cu12 N80 -","4","1","","Mistry, Subhradeep; Natarajan, Srinivasan","Synthesis, structures and magnetic studies of new copper-azides","Inorganica Chimica Acta","2018","483","","26","38","10.1016/j.ica.2018.08.001","","","0.71073","MoKα","","0.0562","0.0391","","","0.09","0.0966","","","","","","1.013","","","","has coordinates","266907","2021-07-02","09:55:02",""
"1563897","13.9431","0.0005","19.8663","0.0006","13.3606","0.0004","90","","114.948","0.002","90","","3355.53","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Cu6 N40 O -","- C7 H19 Cu6 N40 O -","- C28 H76 Cu24 N160 O4 -","4","1","","Mistry, Subhradeep; Natarajan, Srinivasan","Synthesis, structures and magnetic studies of new copper-azides","Inorganica Chimica Acta","2018","483","","26","38","10.1016/j.ica.2018.08.001","","","0.71073","MoKα","","0.0869","0.0571","","","0.133","0.145","","","","","","1.077","","","","has coordinates","266907","2021-07-02","09:55:03",""
"1563898","8.4313","0.0005","9.711","0.0006","11.9231","0.0008","102","0.003","96.837","0.003","109.054","0.003","883.93","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H20 Cu7 N46 -","- C6 H20 Cu7 N46 -","- C6 H20 Cu7 N46 -","1","0.5","","Mistry, Subhradeep; Natarajan, Srinivasan","Synthesis, structures and magnetic studies of new copper-azides","Inorganica Chimica Acta","2018","483","","26","38","10.1016/j.ica.2018.08.001","","","0.71073","MoKα","","0.0501","0.0365","","","0.0852","0.0902","","","","","","1.064","","","","has coordinates","266907","2021-07-02","09:55:03",""
"1563899","11.2827","0.0011","14.7702","0.0014","19.3824","0.0019","94.407","0.003","90.634","0.003","99.151","0.003","3178.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 Ir2 Te2 -","- C32 H40 Ir2 Te2 -","- C128 H160 Ir8 Te8 -","4","2","","Joseph, Benson; Saha, Koushik; Prakash, Rini; Nandi, Chandan; Roisnel, Thierry; Ghosh, Sundargopal","Chalcogenolato-bridged dinuclear half sandwich complexes of ruthenium and iridium","Inorganica Chimica Acta","2018","483","","106","110","10.1016/j.ica.2018.08.005","","","0.71073","MoKα","","0.048","0.0379","","","0.0866","0.0956","","","","","","1.126","","","","has coordinates,has disorder","266908","2021-07-02","09:59:25",""
"1563900","8.4372","0.0009","21.706","0.003","19.622","0.002","90","","101.986","0.004","90","","3515.2","0.7","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Ru2 S4 -","- C32 H40 Ru2 S4 -","- C128 H160 Ru8 S16 -","4","1","","Joseph, Benson; Saha, Koushik; Prakash, Rini; Nandi, Chandan; Roisnel, Thierry; Ghosh, Sundargopal","Chalcogenolato-bridged dinuclear half sandwich complexes of ruthenium and iridium","Inorganica Chimica Acta","2018","483","","106","110","10.1016/j.ica.2018.08.005","","x-ray","0.71073","MoKα","","0.0387","0.0326","","","0.0764","0.0792","","","","","","1.091","","","","has coordinates","266910","2021-07-02","10:01:28",""
"1563908","11.0462","0.0011","15.3693","0.0016","10.1845","0.0011","90","","99.366","0.01","90","","1706","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 I2 N2 Te -","- C12 H20 I2 N2 Te -","- C48 H80 I8 N8 Te4 -","4","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","1.54184","CuKα","","0.0999","0.0844","","","0.2234","0.2371","","","","","","1.055","","","","has coordinates","266982","2021-07-05","08:24:18",""
"1563909","16.868","0.0011","7.7538","0.0005","13.5941","0.001","90","","100.865","0.007","90","","1746.1","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl4 N2 Te -","- C12 H20 Cl4 N2 Te -","- C48 H80 Cl16 N8 Te4 -","4","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","1.54184","CuKα","","0.0553","0.048","","","0.1228","0.1306","","","","","","1.102","","","","has coordinates","266982","2021-07-05","08:24:19",""
"1563910","17.1102","0.0009","7.9362","0.0004","14.0464","0.0007","90","","102.493","0.005","90","","1862.2","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Br4 N2 Te -","- C12 H20 Br4 N2 Te -","- C48 H80 Br16 N8 Te4 -","4","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","0.71073","MoKα","","0.0543","0.0398","","","0.086","0.0935","","","","","","1.06","","","","has coordinates","266982","2021-07-05","08:24:19",""
"1563911","10.1848","0.0005","9.5247","0.0005","14.3746","0.0007","90","","98.762","0.005","90","","1378.17","0.12","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Br0.46 Cl0.54 Hg N2 -","- C12 H19 Br0.458 Cl0.542 Hg N2 -","- C48 H76 Br1.832 Cl2.168 Hg4 N8 -","4","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","0.71073","MoKα","","0.0635","0.0393","","","0.0664","0.0756","","","","","","0.985","","","","has coordinates","266982","2021-07-05","08:24:19",""
"1563912","10.2034","0.0002","9.5432","0.0002","14.4962","0.0004","90","","98.632","0.002","90","","1395.55","0.06","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Br Hg N2 -","- C12 H19 Br Hg N2 -","- C48 H76 Br4 Hg4 N8 -","4","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","1.54184","CuKα","","0.0431","0.0371","","","0.0886","0.0928","","","","","","1.064","","","","has coordinates","266982","2021-07-05","08:24:19",""
"1563913","9.2245","0.0007","9.4152","0.0008","9.4569","0.0007","89.764","0.007","69.016","0.007","79.02","0.007","750.98","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 Hg N5 -","- C12 H19 Hg N5 -","- C24 H38 Hg2 N10 -","2","1","","Singh, Puspendra; Gupta, Anand K.; Sharma, Sagar; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and characterization of N,N′,C-bound organotellurium(IV) and organomercury(II) derivatives","Inorganica Chimica Acta","2018","483","","218","228","10.1016/j.ica.2018.08.016","","","1.54184","CuKα","","0.0415","0.0333","","","0.0729","0.0782","","","","","","1.03","","","","has coordinates","266982","2021-07-05","08:24:19",""
"1563914","14.7334","0.0009","17.7778","0.0011","14.1233","0.0009","90","","103.676","0.001","90","","3594.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cl4 N4 Ni4 O8 -","- C24 H32 Cl4 N4 Ni4 O8 -","- C96 H128 Cl16 N16 Ni16 O32 -","4","0.5","","Raje, Sakthi; Angamuthu, Raja","Tetranuclear nickel cubane cluster formed by the hydrolysis of nickel koneramine complex","Inorganica Chimica Acta","2018","483","","258","261","10.1016/j.ica.2018.08.006","","","0.71073","MoKα","","0.0266","0.0229","","","0.0573","0.0591","","","","","","1.06","","","","has coordinates","266983","2021-07-05","08:28:36",""
"1563915","8.5547","0.0005","8.8492","0.0005","22.4276","0.0014","100.741","0.002","95.127","0.002","99.643","0.003","1631.71","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H41 N3 O2 -","- C40 H41 N3 O2 -","- C80 H82 N6 O4 -","2","1","","Maji, Siddhartha; Chowdhury, Bijit; Pal, Sanchari; Ghosh, Pradyut","An indolium ion functionalized naphtha imide chemodosimeter for detection of cyanide in aqueous medium","Inorganica Chimica Acta","2018","483","","321","328","10.1016/j.ica.2018.08.040","","","0.71073","MoKα","","0.1347","0.1118","","","0.3409","0.3652","","","","","","1.41","","","","has coordinates","266984","2021-07-05","08:31:36",""
"1563916","8.2071","0.0008","14.6476","0.0015","20.201","0.002","89.902","0.004","84.279","0.004","84.278","0.004","2404.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.25 H24 N4 O5.25 V -","- C23.25 H24 N4 O5.25 V -","- C93 H96 N16 O21 V4 -","4","2","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.0926","0.0629","","","0.1566","0.1702","","","","","","1.071","","","","has coordinates","266985","2021-07-05","08:35:51",""
"1563917","7.9483","0.0003","12.3434","0.0004","13.6255","0.0004","103.713","0.001","96.219","0.001","96.823","0.001","1276.51","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N4 O5 V -","- C25 H27 N4 O5 V -","- C50 H54 N8 O10 V2 -","2","1","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.0518","0.0391","","","0.0997","0.1057","","","","","","1.049","","","","has coordinates","266985","2021-07-05","08:36:04",""
"1563918","7.8843","0.0004","12.5167","0.0007","13.5651","0.0007","99.478","0.002","94.723","0.002","95.263","0.002","1308.35","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N4 O7 V -","- C25 H27 N4 O7 V -","- C50 H54 N8 O14 V2 -","2","1","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.0492","0.038","","","0.0978","0.104","","","","","","1.083","","","","has coordinates","266985","2021-07-05","08:36:18",""
"1563919","7.192","0.0004","11.0218","0.0006","16.3414","0.0009","81.987","0.002","78.321","0.002","84.245","0.002","1252.69","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Cl2 N4 O5 V -","- C23 H21 Cl2 N4 O5 V -","- C46 H42 Cl4 N8 O10 V2 -","2","1","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.049","0.0409","","","0.1073","0.1129","","","","","","1.052","","","","has coordinates","266985","2021-07-05","08:36:30",""
"1563920","11.6717","0.001","7.0841","0.0005","30.637","0.003","90","","94.814","0.003","90","","2524.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N6 O9 V -","- C23 H21 N6 O9 V -","- C92 H84 N24 O36 V4 -","4","1","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.0852","0.0504","","","0.127","0.1457","","","","","","1.074","","","","has coordinates","266985","2021-07-05","08:36:32",""
"1563921","11.124","0.0004","12.3131","0.0004","13.4539","0.0005","113.527","0.001","108.436","0.001","98.184","0.002","1524.56","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N4 O5 V -","- C33 H27 N4 O5 V -","- C66 H54 N8 O10 V2 -","2","1","","Srivastava, Ankit Kumar; Ghosh, Sabari; Jana, Subhendu; Pal, Samudranil","Ternary pentagonal-bipyramidal oxovanadium(V) complexes containing five- and six-membered chelate rings: Syntheses, structures and properties","Inorganica Chimica Acta","2018","483","","329","336","10.1016/j.ica.2018.08.036","","","0.71073","MoKα","","0.0542","0.0475","","","0.1298","0.1351","","","","","","1.092","","","","has coordinates","266985","2021-07-05","08:36:32",""
"1563922","7.589","0.005","16.983","0.01","33.58","0.02","90","","90","","90","","4328","5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 O6 Ru -","- C26 H22 O6 Ru -","- C208 H176 O48 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.7107","MoKα","","0.0725","0.0572","","","0.1084","0.1169","","","","","","1.111","","","","has coordinates","266986","2021-07-05","08:41:15",""
"1563923","7.8763","0.0005","16.3099","0.0015","33.9368","0.0018","90","","90","","90","","4359.6","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O5 Ru -","- C26 H23 N O5 Ru -","- C208 H184 N8 O40 Ru8 -","8","1","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.71073","MoKα","","0.0978","0.0501","","","0.0954","0.1203","","","","","","1.057","","","","has coordinates","266987","2021-07-05","08:42:47",""
"1563924","19.521","0.0005","20.3084","0.0005","24.6609","0.0005","78.669","0.002","82.283","0.002","65.023","0.002","8675","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O4 Ru -","- C26 H24 N2 O4 Ru -","- C364 H336 N28 O56 Ru14 -","14","7","","Chatterjee, Madhumita; Ghosh, Prabir; Hazari, Arijit Singha; Lahiri, Goutam Kumar","Probing electronic structures of redox-active ruthenium-quinonoids appended with polycyclic aromatic hydrocarbon (PAH) backbone","Inorganica Chimica Acta","2018","483","","343","351","10.1016/j.ica.2018.08.047","","","0.71073","MoKα","","0.071","0.0511","","","0.1362","0.1529","","","","","","1.027","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563925","16.392","0.003","17.851","0.004","20.793","0.004","92.94","0.03","109.29","0.03","112.25","0.03","5206","3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C106 H156 Gd2 N10 O6 -","- C106 H156 Gd2 N10 O6 -","- C212 H312 Gd4 N20 O12 -","2","1","","Molloy, Jennifer K.; Fedele, Lionel; Jarjayes, Olivier; Philouze, Christian; Imbert, Daniel; Thomas, Fabrice","Structural and spectroscopic investigations of redox active seven coordinate luminescent lanthanide complexes","Inorganica Chimica Acta","2018","483","","609","617","10.1016/j.ica.2018.08.054","","x-ray","0.71073","MoKα","","0.0491","0.0334","","","0.0769","0.0923","","","","","","1.212","","","","has coordinates,has disorder","266989","2021-07-05","08:57:31",""
"1563926","27.646","0.003","27.646","0.003","27.646","0.003","90","","90","","90","","21130","4","200","","200","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H79.5 N5.5 O3 Tb -","- C54 H79.5 N5.5 O3 Tb -","- C864 H1272 N88 O48 Tb16 -","16","0.333333","","Molloy, Jennifer K.; Fedele, Lionel; Jarjayes, Olivier; Philouze, Christian; Imbert, Daniel; Thomas, Fabrice","Structural and spectroscopic investigations of redox active seven coordinate luminescent lanthanide complexes","Inorganica Chimica Acta","2018","483","","609","617","10.1016/j.ica.2018.08.054","","x-ray","0.71073","MoKα","","0.0775","0.0345","","","0.0695","0.1057","","","","","","1.394","","","","has coordinates,has disorder","266989","2021-07-05","08:57:34",""
"1563927","27.545","0.003","27.545","0.003","27.545","0.003","90","","90","","90","","20899","4","200","","200","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H79.5 N5.5 O3 Yb -","- C54 H79.5 N5.5 O3 Yb -","- C864 H1272 N88 O48 Yb16 -","16","0.333333","","Molloy, Jennifer K.; Fedele, Lionel; Jarjayes, Olivier; Philouze, Christian; Imbert, Daniel; Thomas, Fabrice","Structural and spectroscopic investigations of redox active seven coordinate luminescent lanthanide complexes","Inorganica Chimica Acta","2018","483","","609","617","10.1016/j.ica.2018.08.054","","x-ray","0.71073","MoKα","","0.0747","0.0311","","","0.058","0.0891","","","","","","1.449","","","","has coordinates,has disorder","266989","2021-07-05","08:57:36",""
"1563928","27.514","0.003","27.514","0.003","27.514","0.003","90","","90","","90","","20829","4","200","","200","","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C54 H79.5 Lu N5.5 O3 -","- C54 H79.5 Lu N5.5 O3 -","- C864 H1272 Lu16 N88 O48 -","16","0.333333","","Molloy, Jennifer K.; Fedele, Lionel; Jarjayes, Olivier; Philouze, Christian; Imbert, Daniel; Thomas, Fabrice","Structural and spectroscopic investigations of redox active seven coordinate luminescent lanthanide complexes","Inorganica Chimica Acta","2018","483","","609","617","10.1016/j.ica.2018.08.054","","x-ray","0.71073","MoKα","","0.0512","0.0274","","","0.0595","0.0792","","","","","","1.255","","","","has coordinates,has disorder","266989","2021-07-05","08:57:36",""
"1563929","14.7919","0.0015","15.2317","0.0019","16.8982","0.0019","90","","90","","90","","3807.3","0.7","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PS009","","","- C36 H56 B F4 P4 Rh -","- C36 H56 B F4 P4 Rh -","- C144 H224 B4 F16 P16 Rh4 -","4","1","","Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.","Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium","Inorganica Chimica Acta","2018","483","","111","115","10.1016/j.ica.2018.08.007","","","0.71073","MoKα","","0.0294","0.027","","","0.0644","0.0663","","","","","","1.037","","","","has coordinates","266990","2021-07-05","09:03:43",""
"1563930","12.6298","0.0006","20.0689","0.0009","22.7254","0.0009","90","","90","","90","","5760.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 Cl14 P4 Rh2 -","- C42 H68 Cl14 P4 Rh2 -","- C168 H272 Cl56 P16 Rh8 -","4","1","","Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.","Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium","Inorganica Chimica Acta","2018","483","","111","115","10.1016/j.ica.2018.08.007","","","0.71073","MoKα","","0.0946","0.0622","","","0.1226","0.1376","","","","","","1.036","","","","has coordinates,has disorder","266990","2021-07-05","09:03:43",""
"1563931","30.289","0.0014","30.289","0.0014","8.1594","0.0008","90","","90","","90","","7485.6","0.9","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H4 N O8.25 S Zn -","- C14 H4 N O8.25 S Zn -","- C224 H64 N16 O132 S16 Zn16 -","16","1","","Cheng, Ai-Ling; Zhang, Juan; Ren, Ling-Ling; Gao, En-Qing","A new anionic metal-organic framework based on tetranuclear zinc clusters: Selective absorption of CO2 and luminescent response to lanthanide (III) ions","Inorganica Chimica Acta","2018","482","","154","159","10.1016/j.ica.2018.05.039","","","0.71073","MoKα","","0.0506","0.0417","","","0.1185","0.1225","","","","","","1.051","","","","has coordinates,has disorder","266991","2021-07-05","09:15:09",""
"1563932","33.2686","0.0019","9.3751","0.0005","26.5826","0.0015","90","","126.542","0.002","90","","6661.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C304 H352 N32 O32 -","16","2","","Sundaravadivel, Elumalai; Reddy, Gontu Ramanjaneya; Manoj, Devaraj; Rajendran, Saravanan; Kandaswamy, Muthusamy; Janakiraman, Manokaran","DNA binding and cleavage studies of copper(II) complex containing N2O2 Schiff base ligand","Inorganica Chimica Acta","2018","482","","170","178","10.1016/j.ica.2018.06.002","","","0.71073","MoKα","","0.0703","0.0443","","","0.1142","0.1346","","","","","","0.996","","","","has coordinates","266992","2021-07-05","09:19:19",""
"1563933","10.1493","0.0007","8.2568","0.0007","21.3201","0.0013","90","","90","","90","","1786.6","0.2","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H7 I N2 -","- C9 H7 I N2 -","- C72 H56 I8 N16 -","8","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0559","0.0472","","","0.1213","0.1289","","","","","","1.079","","","","has coordinates","266993","2021-07-05","10:14:46",""
"1563934","6.4196","0.0004","10.8844","0.0007","16.7899","0.001","90","","92.937","0.005","90","","1171.63","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I N2 -","- C13 H9 I N2 -","- C52 H36 I4 N8 -","4","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","","0.71073","MoKα","","0.0416","0.0326","","","0.0679","0.072","","","","","","1.054","","","","has coordinates","266993","2021-07-05","10:14:47",""
"1563935","10.7083","0.0004","13.3839","0.0006","13.3399","0.0005","90","","97.819","0.004","90","","1894.08","0.13","200.05","0.1","200.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N4 O8 Zn2 -","- C44 H32 N4 O8 Zn2 -","- C88 H64 N8 O16 Zn4 -","2","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0695","0.0718","","","","","","1.023","","","","has coordinates,has disorder","266993","2021-07-05","10:14:47",""
"1563936","15.9969","0.0018","21.6823","0.0019","7.5937","0.0009","90","","90","","90","","2633.9","0.5","200.05","0.1","200.05","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C32 H22 N4 O4 Zn -","- C32 H22 N4 O4 Zn -","- C128 H88 N16 O16 Zn4 -","4","0.5","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0606","0.0525","","","0.1114","0.1154","","","","","","1.072","","","","has coordinates","266993","2021-07-05","10:14:47",""
"1563937","3.8466","0.0007","27.589","0.005","11.6689","0.0018","90","","97.948","0.016","90","","1226.5","0.4","200.05","0.1","200.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Bejan, Dana; Bahrin, Lucian Gabriel; Shova, Sergiu; Sardaru, Monica; Clima, Lilia; Nicolescu, Alina; Marangoci, Narcisa; Lozan, Vasile; Janiak, Christoph","Spontaneous resolution of non-centrosymmetric coordination polymers of zinc(II) with achiral imidazole-biphenyl-carboxylate ligands","Inorganica Chimica Acta","2018","482","","275","283","10.1016/j.ica.2018.05.024","","x-ray","0.71073","MoKα","","0.0934","0.0573","","","0.109","0.1175","","","","","","0.959","","","","has coordinates,has disorder","266993","2021-07-05","10:14:47",""
"1563959","7.8724","0.0001","24.087","0.0004","17.1977","0.0003","90","","92.536","0.001","90","","3257.88","0.09","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69.15 H56.31 N9 O13 Zn2 -","- C69.156 H56.312 N9 O13 Zn2 -","- C138.312 H112.624 N18 O26 Zn4 -","2","0.5","","Meng, Xiang-Min; Li, Yuan-Cheng; Huang, Ke-Rui; Long, Jin-Qiao; Cui, Lian-Sheng","A multifunctional four-fold interpenetrated coordination polymer: Quantifiable evaluation of luminescent sensing for Cr(VI)/Cu(II) and photocatalytic properties","Inorganica Chimica Acta","2018","482","","284","291","10.1016/j.ica.2018.06.019","","","0.71073","MoKα","","0.124","0.0875","","","0.2583","0.2832","","","","","","1.03","","","","has coordinates,has disorder","267277","2021-07-06","07:03:42",""
"1563960","8.9522","0.0006","11.7888","0.0004","15.4129","0.0007","105.939","0.003","105.231","0.005","101.932","0.004","1439.34","0.14","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.5 H29 F6 Mn N4 O4 P -","- C27.5 H29 F6 Mn N4 O4 P -","- C55 H58 F12 Mn2 N8 O8 P2 -","2","1","","Deawati, Yusi; Onggo, Djulia; Mulyani, Irma; Hastiawan, Iwan; Kurnia, Dikdik; Lönnecke, Peter; Schmorl, Sara; Kersting, Berthold; Hey-Hawkins, Evamarie","Synthesis, crystal structures, and superoxide dismutase activity of two new multinuclear manganese(III)-salen-4,4′-bipyridine complexes","Inorganica Chimica Acta","2018","482","","353","357","10.1016/j.ica.2018.06.018","","x-ray","0.71073","MoKα","","0.0937","0.0591","","","0.1324","0.1524","","","","","","1.019","","","","has coordinates,has disorder","267278","2021-07-06","07:12:03",""
"1563961","12.2102","0.0005","23.6845","0.0008","13.2715","0.0009","90","","112.206","0.008","90","","3553.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 B2 Cu F8 N12 -","- C27 H36 B2 Cu F8 N12 -","- C108 H144 B8 Cu4 F32 N48 -","4","1","","El-Massaoudi, Mohamed; Radi, Smaail; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Ferbinteanu, Marilena; Adarsh, N.N.; Garcia, Yann","Cu(II) and Mn(II) coordination complexes constructed by C linked bispyrazoles: Effect of anions and hydrogen bonding on the self assembly process","Inorganica Chimica Acta","2018","482","","411","419","10.1016/j.ica.2018.06.041","","","0.71075","MoKα","","0.1158","0.0777","","","0.2376","0.2691","","","","","","1.084","","","","has coordinates","267279","2021-07-06","07:19:01",""
"1563962","11.8621","0.0007","14.3826","0.0009","15.3271","0.001","87.488","0.003","86.829","0.002","78.249","0.002","2554.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl2 Mn N9 -","- C20 H25 Cl2 Mn N9 -","- C80 H100 Cl8 Mn4 N36 -","4","2","","El-Massaoudi, Mohamed; Radi, Smaail; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Ferbinteanu, Marilena; Adarsh, N.N.; Garcia, Yann","Cu(II) and Mn(II) coordination complexes constructed by C linked bispyrazoles: Effect of anions and hydrogen bonding on the self assembly process","Inorganica Chimica Acta","2018","482","","411","419","10.1016/j.ica.2018.06.041","","","0.71073","MoKα","","0.1465","0.0787","","","0.2182","0.2763","","","","","","0.865","","","","has coordinates","267280","2021-07-06","07:22:12",""
"1563963","14.967","0.009","14.591","0.008","15.165","0.01","90","","110.86","0.03","90","","3095","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Mn N10 O S2 -","- C24 H34 Mn N10 O S2 -","- C96 H136 Mn4 N40 O4 S8 -","4","1","","El-Massaoudi, Mohamed; Radi, Smaail; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Ferbinteanu, Marilena; Adarsh, N.N.; Garcia, Yann","Cu(II) and Mn(II) coordination complexes constructed by C linked bispyrazoles: Effect of anions and hydrogen bonding on the self assembly process","Inorganica Chimica Acta","2018","482","","411","419","10.1016/j.ica.2018.06.041","","","0.71075","MoKα","","0.082","0.0643","","","0.155","0.1699","","","","","","1.086","","","","has coordinates","267281","2021-07-06","07:23:14",""
"1563964","8.8705","0.0004","16.2067","0.0008","11.2474","0.0006","90","","98.584","0.002","90","","1598.83","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(5-methyl-1,3,5-dithiazinan-2-yl)diphenylphosphine oxide","","","- C16 H18 N O P S2 -","- C16 H18 N O P S2 -","- C64 H72 N4 O4 P4 S8 -","4","1","","Montes-Tolentino, Pedro; Rodríguez-López, Germán; Sánchez-Ruiz, Sonia A.; Villaseñor-Granados, Tayde Osvaldo; Flores-Parra, Angelina","Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes","Inorganica Chimica Acta","2018","482","","420","430","10.1016/j.ica.2018.06.045","","x-ray","0.71073","MoKα","","0.039","0.0318","","","0.0658","0.0681","","","","","","1.073","","","","has coordinates","267282","2021-07-06","07:35:16",""
"1563965","15.643","0.003","10.089","0.002","11.228","0.002","90","","93.36","0.03","90","","1769","0.6","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","(5-methyl-1,3,5-dithiazinan-2-yl)diphenylphosphine sulfide","","","- C16 H18 N P S3 -","- C16 H18 N P S3 -","- C64 H72 N4 P4 S12 -","4","1","","Montes-Tolentino, Pedro; Rodríguez-López, Germán; Sánchez-Ruiz, Sonia A.; Villaseñor-Granados, Tayde Osvaldo; Flores-Parra, Angelina","Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes","Inorganica Chimica Acta","2018","482","","420","430","10.1016/j.ica.2018.06.045","","x-ray","0.71073","MoKα","","0.1267","0.0451","","","0.0906","0.1115","","","","","","1.017","","","","has coordinates","267282","2021-07-06","07:35:20",""
"1563966","15.455","0.003","10.312","0.002","11.323","0.002","90","","93.52","0.03","90","","1801.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N P S2 Se -","- C16 H18 N P S2 Se -","- C64 H72 N4 P4 S8 Se4 -","4","1","","Montes-Tolentino, Pedro; Rodríguez-López, Germán; Sánchez-Ruiz, Sonia A.; Villaseñor-Granados, Tayde Osvaldo; Flores-Parra, Angelina","Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes","Inorganica Chimica Acta","2018","482","","420","430","10.1016/j.ica.2018.06.045","","x-ray","0.71073","MoKα","","0.0843","0.0405","","","0.0945","0.1098","","","","","","1.033","","","","has coordinates","267282","2021-07-06","07:35:20",""
"1563967","9.0886","0.0004","9.7044","0.0005","22.1986","0.0012","90","","99.401","0.003","90","","1931.61","0.17","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","bis(5-methyl-1,3,5-dithiazinan-2-yl)(phenyl)phosphine selenide","","","- C14 H21 N2 P S4 Se -","- C14 H21 N2 P S4 Se -","- C56 H84 N8 P4 S16 Se4 -","4","1","","Montes-Tolentino, Pedro; Rodríguez-López, Germán; Sánchez-Ruiz, Sonia A.; Villaseñor-Granados, Tayde Osvaldo; Flores-Parra, Angelina","Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes","Inorganica Chimica Acta","2018","482","","420","430","10.1016/j.ica.2018.06.045","","x-ray","0.71073","MoKα","","0.1324","0.0809","","","0.1891","0.2089","","","","","","1.099","","","","has coordinates","267282","2021-07-06","07:35:20",""
"1563968","25.758","0.002","9.7476","0.0007","17.5384","0.0013","90","","100.46","0.004","90","","4330.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tris(5-methyl-1,3,5-dithiazinan-2-yl)phosphine selenide","","","- C12 H24 N3 P S6 Se -","- C12 H24 N3 P S6 Se -","- C96 H192 N24 P8 S48 Se8 -","8","1","","Montes-Tolentino, Pedro; Rodríguez-López, Germán; Sánchez-Ruiz, Sonia A.; Villaseñor-Granados, Tayde Osvaldo; Flores-Parra, Angelina","Structural analysis of (5-methyl-[1,3,5]-dithiazinan-2-yl)phosphines and their oxides. N-Borane adducts as conformational probes","Inorganica Chimica Acta","2018","482","","420","430","10.1016/j.ica.2018.06.045","","x-ray","0.71073","MoKα","","0.1506","0.0515","","","0.104","0.1333","","","","","","0.965","","","","has coordinates","267282","2021-07-06","07:35:23",""
"1563969","21.3526","0.0006","7.2743","0.0002","20.6195","0.0006","90","","92.036","0.003","90","","3200.71","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co2 N6 O12 -","- C32 H28 Co2 N6 O12 -","- C128 H112 Co8 N24 O48 -","4","0.5","","Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph","Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands","Inorganica Chimica Acta","2018","482","","526","534","10.1016/j.ica.2018.06.038","","","0.71073","MoKα","","0.0661","0.0431","","","0.0819","0.0921","","","","","","1.005","","","","has coordinates,has Fobs","267284","2021-07-06","07:59:29",""
"1563970","21.2949","0.001","7.22","0.0005","20.5173","0.001","90","","91.356","0.004","90","","3153.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N6 Ni2 O12 -","- C32 H28 N6 Ni2 O12 -","- C128 H112 N24 Ni8 O48 -","4","0.5","","Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph","Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands","Inorganica Chimica Acta","2018","482","","526","534","10.1016/j.ica.2018.06.038","","","0.71073","MoKα","","0.0467","0.0353","","","0.0798","0.0867","","","","","","1.001","","","","has coordinates,has Fobs","267286","2021-07-06","08:01:46",""
"1563971","12.5861","0.0004","12.5861","0.0004","18.8572","0.0009","90","","90","","90","","2987.2","0.2","293","2","293","2","","","","","","","","5","P 43 2 2","P 4cw 2c","95","","","","- C25 H26 N5 O8.5 Zn -","- C25 H20.12 N5 O8.5 Zn -","- C100 H80.48 N20 O34 Zn4 -","4","0.5","","Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph","Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands","Inorganica Chimica Acta","2018","482","","526","534","10.1016/j.ica.2018.06.038","","","0.71073","MoKα","","0.1063","0.0703","","","0.1895","0.2125","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","267287","2021-07-06","08:03:21",""
"1563972","15.3674","0.0004","6.7223","0.0002","15.6934","0.0005","90","","93.028","0.003","90","","1618.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N3 Ni O6 -","- C16 H14 N3 Ni O6 -","- C64 H56 N12 Ni4 O24 -","4","1","","Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph","Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands","Inorganica Chimica Acta","2018","482","","526","534","10.1016/j.ica.2018.06.038","","","0.71073","MoKα","","0.0684","0.0486","","","0.1078","0.1228","","","","","","1.002","","","","has coordinates,has Fobs","267288","2021-07-06","08:04:43",""
"1563973","14.9947","0.0018","15.203","0.002","16.623","0.002","66.723","0.013","75.792","0.011","84.833","0.011","3374.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H55.5 N14 Ni2 O11.75 -","- C68 H55.5 N14 Ni2 O11.75 -","- C136 H111 N28 Ni4 O23.5 -","2","1","","Voda, Irina; Makhloufi, Gamall; Druta, Vadim; Lozan, Vasile; Shova, Sergiu; Bourosh, Paulina; Kravtsov, Victor; Janiak, Christoph","Mixed-ligand coordination compounds based on the rigid 4,4′-bis(1-imidazolyl)biphenyl and pyridinedicarboxylate ligands","Inorganica Chimica Acta","2018","482","","526","534","10.1016/j.ica.2018.06.038","","","0.71073","MoKα","","0.0935","0.0569","","","0.1554","0.18","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","267289","2021-07-06","08:06:24",""
"1563974","13.113","0.0005","18.069","0.0006","17.239","0.0007","90","","106.021","0.004","90","","3925.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H82 Cd N4 O18 -","- C82 H66 Cd N4 O18 -","- C164 H132 Cd2 N8 O36 -","2","0.5","","Han, Xue; Lu, Bing-Bing; Yang, Jin; Wu, Hua; Liu, Ying-Ying; Ma, Jian-Fang","Four coordination complexes based on two novel carboxylate-functionalized resorcin[4]arenes: Structures, fluorescence and sensing of nitrobenzene and dichromate anions","Inorganica Chimica Acta","2018","482","","579","587","10.1016/j.ica.2018.04.049","","","0.71069","MoKα","","0.1119","0.0754","","","0.215","0.2476","","","","","","1.062","","","","has coordinates","267290","2021-07-06","08:17:44",""
"1563975","11.17","0.0009","13.333","0.0013","15.319","0.0014","73.718","0.008","80.874","0.007","69.307","0.008","2044.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N2 O9 Zn -","- C48 H34 N2 O9 Zn -","- C96 H68 N4 O18 Zn2 -","2","1","","Han, Xue; Lu, Bing-Bing; Yang, Jin; Wu, Hua; Liu, Ying-Ying; Ma, Jian-Fang","Four coordination complexes based on two novel carboxylate-functionalized resorcin[4]arenes: Structures, fluorescence and sensing of nitrobenzene and dichromate anions","Inorganica Chimica Acta","2018","482","","579","587","10.1016/j.ica.2018.04.049","","","0.71069","MoKα","","0.1786","0.0963","","","0.2179","0.2633","","","","","","1.136","","","","has coordinates","267290","2021-07-06","08:17:44",""
"1563976","12.8","0.0004","15.572","0.0004","19.929","0.0005","80.145","0.002","76.046","0.002","73.543","0.003","3674.49","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 N4 O18 Zn2 -","- C80 H72 N4 O18 Zn2 -","- C160 H144 N8 O36 Zn4 -","2","1","","Han, Xue; Lu, Bing-Bing; Yang, Jin; Wu, Hua; Liu, Ying-Ying; Ma, Jian-Fang","Four coordination complexes based on two novel carboxylate-functionalized resorcin[4]arenes: Structures, fluorescence and sensing of nitrobenzene and dichromate anions","Inorganica Chimica Acta","2018","482","","579","587","10.1016/j.ica.2018.04.049","","","0.71069","MoKα","","0.1001","0.0671","","","0.1781","0.209","","","","","","1.027","","","","has coordinates","267290","2021-07-06","08:17:44",""
"1563977","13.856","0.0006","15.326","0.0006","19.886","0.0007","94.767","0.003","109.118","0.003","107.516","0.004","3726.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H73 Cl N2 O20 Zn2 -","- C75 H58 Cl N O18 Zn2 -","- C150 H116 Cl2 N2 O36 Zn4 -","2","1","","Han, Xue; Lu, Bing-Bing; Yang, Jin; Wu, Hua; Liu, Ying-Ying; Ma, Jian-Fang","Four coordination complexes based on two novel carboxylate-functionalized resorcin[4]arenes: Structures, fluorescence and sensing of nitrobenzene and dichromate anions","Inorganica Chimica Acta","2018","482","","579","587","10.1016/j.ica.2018.04.049","","","0.71069","MoKα","","0.1213","0.0916","","","0.2738","0.302","","","","","","1.205","","","","has coordinates","267290","2021-07-06","08:17:45",""
"1563978","11.8067","0.0007","9.0081","0.0005","16.1868","0.0009","90","","100.274","0.002","90","","1693.96","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl2 Cu N3 -","- C17 H19 Cl2 Cu N3 -","- C68 H76 Cl8 Cu4 N12 -","4","1","","Jana, Abhimanyu; Brandão, Paula; Mondal, Gopinath; Bera, Pradip; Santra, Ananyakumari; Jana, Atish Dipankar; Mokhamatam, Raveendra Babu; Manna, Sunil Kumar; Bhattacharyya, Nandan; Bera, Pulakesh","Synthesis, characterization, cytotoxicity effect and DNA cleavage study of symmetric dinuclear chloro and azido bridged copper(II) complexes of napthyl-pyrazole based ligand","Inorganica Chimica Acta","2018","482","","621","634","10.1016/j.ica.2018.06.054","","","0.71073","MoKα","","0.0356","0.0315","","","0.0816","0.0847","","","","","","1.069","","","","has coordinates","267291","2021-07-06","08:25:49",""
"1563979","8.2229","0.0007","10.5534","0.001","11.6684","0.0011","63.751","0.003","89.079","0.003","77.329","0.003","882.25","0.14","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H38 Cu2 N18 -","- C34 H38 Cu2 N18 -","- C34 H38 Cu2 N18 -","1","1","","Jana, Abhimanyu; Brandão, Paula; Mondal, Gopinath; Bera, Pradip; Santra, Ananyakumari; Jana, Atish Dipankar; Mokhamatam, Raveendra Babu; Manna, Sunil Kumar; Bhattacharyya, Nandan; Bera, Pulakesh","Synthesis, characterization, cytotoxicity effect and DNA cleavage study of symmetric dinuclear chloro and azido bridged copper(II) complexes of napthyl-pyrazole based ligand","Inorganica Chimica Acta","2018","482","","621","634","10.1016/j.ica.2018.06.054","","","0.71073","MoKα","","0.0238","0.0229","","","0.0609","0.0614","","","","","","1.056","","","","has coordinates","267292","2021-07-06","08:26:58",""
"1563980","9.933","0.002","10.945","0.002","15.989","0.003","98.121","0.012","95.497","0.014","105.59","0.013","1641.1","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33.33333 N2 O4.66667 -","- C24 H33.3333 N2 O4.66667 -","- C72 H100 N6 O14 -","3","1.5","","Pandith, Anup; Choi, Jun-Hyeak; Jung, Ok-Sang; Kim, Hong-Seok","A simple and robust PET-based anthracene-appended O-N-O chelate for sequential recognition of Fe3+/CN– ions in aqueous media and its multimodal applications","Inorganica Chimica Acta","2018","482","","669","680","10.1016/j.ica.2018.07.007","","","0.71073","MoKα","","0.0974","0.0565","","","0.1355","0.1611","","","","","","1.049","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1563981","15.1673","0.001","7.9539","0.0005","25.0698","0.0016","90","","106.011","0.004","90","","2907.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 N3 Rh -","- C33 H43 N3 Rh -","- C132 H172 N12 Rh4 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0486","0.0355","","","0.0752","0.0807","","","","","","1.057","","","","has coordinates","267294","2021-07-06","09:14:19",""
"1563982","11.3459","0.0006","19.7572","0.0011","21.2312","0.0011","90","","98.683","0.001","90","","4704.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 N6 Rh2 -","- C54 H62 N6 Rh2 -","- C216 H248 N24 Rh8 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0382","0.0263","","","0.0582","0.0622","","","","","","0.998","","","","has coordinates","267294","2021-07-06","09:14:20",""
"1563983","7.2577","0.0003","21.6424","0.0009","27.4338","0.001","90","","90","","90","","4309.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H59 N5 Rh2 -","- C50 H59 N5 Rh2 -","- C200 H236 N20 Rh8 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0538","0.0418","","","0.082","0.0862","","","","","","1.123","","","","has coordinates","267294","2021-07-06","09:14:20",""
"1563984","14.4157","0.0009","15.7968","0.001","23.1132","0.0014","90","","96.577","0.004","90","","5228.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H66 Li N6 Rh -","- C53 H66 Li N6 Rh -","- C212 H264 Li4 N24 Rh4 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0553","0.0341","","","0.0723","0.0834","","","","","","1.069","","","","has coordinates","267294","2021-07-06","09:14:21",""
"1563985","12.6337","0.0008","14.9235","0.001","15.3789","0.001","105.535","0.002","95.911","0.003","104.176","0.002","2664.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 N6 Rh2 -","- C54 H60 N6 Rh2 -","- C108 H120 N12 Rh4 -","2","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0358","0.028","","","0.0614","0.071","","","","","","1.17","","","","has coordinates","267294","2021-07-06","09:14:23",""
"1563986","19.368","0.013","13.833","0.009","19.685","0.012","90","","90.812","0.017","90","","5273","6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 D12 N6 Rh2 -","- C60 H60 D12 N6 Rh2 -","- C240 H240 D48 N24 Rh8 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0579","0.036","","","0.072","0.0804","","","","","","1.044","","","","has coordinates","267294","2021-07-06","09:14:26",""
"1563987","6.564","0.0019","9.733","0.003","15.095","0.004","94.274","0.006","102.239","0.004","109.674","0.004","876.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Cd N O4 -","- C19 H16 Cd N O4 -","- C38 H32 Cd2 N2 O8 -","2","1","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.045","0.0395","","","0.0924","0.0949","","","","","","1.113","","","","has coordinates","267295","2021-07-06","09:31:39",""
"1563988","10.9938","0.0009","25.635","0.003","11.8497","0.001","90","","90","","90","","3339.6","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C40 H30 Cd N2 O4 -","- C40 H30 Cd N2 O4 -","- C160 H120 Cd4 N8 O16 -","4","0.5","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.0369","0.0265","","","0.0628","0.0691","","","","","","1.047","","","","has coordinates","267295","2021-07-06","09:31:40",""
"1563989","10.8018","0.0014","28.923","0.004","18.183","0.002","90","","93.739","0.002","90","","5668.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H52 N2 O8 Zn2 -","- C70 H52 N2 O8 Zn2 -","- C280 H208 N8 O32 Zn8 -","4","1","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.148","0.0544","","","0.0944","0.1307","","","","","","1.005","","","","has coordinates","267295","2021-07-06","09:31:40",""
"1563990","13.1149","0.0011","30.534","0.003","10.892","0.0009","90","","125.236","0.001","90","","3562.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H36 Cd N2 O4 -","- C43 H36 Cd N2 O4 -","- C172 H144 Cd4 N8 O16 -","4","0.5","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.0627","0.0504","","","0.1412","0.1543","","","","","","1.027","","","","has coordinates,has disorder","267295","2021-07-06","09:31:40",""
"1563991","4.1858","0.0006","10.2691","0.0016","32.589","0.005","90","","90.758","0.003","90","","1400.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Marandi, Farzin; Moeini, Keyvan; Alizadeh, Fereshteh; Mardani, Zahra; Quah, Ching Kheng; Loh, Wan-Sin; Woollins, J. Derek","Treatment of cadmium(II) and zinc(II) with N2-donor linkages in presence of β-diketone ligand; supported by structural, spectral, theoretical and docking studies","Inorganica Chimica Acta","2018","482","","717","725","10.1016/j.ica.2018.07.014","","","0.71073","MoKα","","0.0865","0.0472","","","0.127","0.1496","","","","","","1.044","","","","has coordinates","267295","2021-07-06","09:31:40",""
"1563995","11.12","0.002","11.767","0.002","12.549","0.003","70.61","0.03","86.78","0.03","62.19","0.03","1360.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H56 Cl4 Cu4 N4 O26 -","- C46 H56 Cl4 Cu4 N4 O26 -","- C46 H56 Cl4 Cu4 N4 O26 -","1","0.5","","Golbedaghi, Reza; Fausto, Rui; Salehzadeh, Sadegh; Tofani, Manijeh; Safaraabadi, Soraya","Macrocyclic mononuclear Ni(II) and macroacyclic tetranuclear Cu(II) complexes: Dimerization of binuclear Cu(II) complexes with help of perchlorate anions","Inorganica Chimica Acta","2018","480","","27","32","10.1016/j.ica.2018.05.005","","","0.71073","MoKα","","0.2126","0.098","","","0.2189","0.2789","","","","","","0.912","","","","has coordinates","267321","2021-07-07","07:58:13",""
"1563996","11.901","0.002","17.67","0.004","10.903","0.002","90","","90","","90","","2292.8","0.8","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H22 Cl2 N2 Ni O7 -","- C20 H22 Cl2 N2 Ni O7 -","- C80 H88 Cl8 N8 Ni4 O28 -","4","1","","Golbedaghi, Reza; Fausto, Rui; Salehzadeh, Sadegh; Tofani, Manijeh; Safaraabadi, Soraya","Macrocyclic mononuclear Ni(II) and macroacyclic tetranuclear Cu(II) complexes: Dimerization of binuclear Cu(II) complexes with help of perchlorate anions","Inorganica Chimica Acta","2018","480","","27","32","10.1016/j.ica.2018.05.005","","","0.71073","MoKα","","0.175","0.076","","","0.1027","0.1243","","","","","","0.895","","","","has coordinates,has disorder","267321","2021-07-07","07:58:17",""
"1563997","8.0754","0.0003","8.35","0.0003","15.2691","0.0005","92.661","0.002","99.537","0.002","111.426","0.002","938.75","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C40 H38 N6 O8 S2 -","2","1","","Gomathi, V.; Selvameena, R.","Spectroscopic investigation, fluorescence quenching, in vitro antibacterial and cytotoxicity assay of Co(II) and Ni(II) complexes containing 4-((3-ethoxy-2-hydroxy benzylidene)amino)-N-(pyridin-2-yl)benzenesulfonamide","Inorganica Chimica Acta","2018","480","","42","46","10.1016/j.ica.2018.05.007","","","0.71073","MoKα","","0.0418","0.0351","","","0.0912","0.0985","","","","","","1.051","","","","has coordinates","267322","2021-07-07","08:16:11",""
"1564823","7.1515","0.0002","11.159","0.0003","12.0583","0.0003","92.077","0.002","106.145","0.002","95.628","0.002","917.86","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H42 N2 Na8 O31 P6 -","- C6 H42 N2 Na8 O31 P6 -","- C6 H42 N2 Na8 O31 P6 -","1","0.5","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Petrov, V.G.; Shumilova, M.A.","Kristallicheskaya struktura tetra- i penta natriyevykh soley nitrilo trismetilen fosfonovoy kisloty","Zhurnal neorganicheskoy khimii","2018","","1","46","53","10.7868/S0044457X18010063","","x-ray","0.71073","MoKα","","0.0294","0.0265","","","0.0685","0.0698","","","","","","1.101","","","","has coordinates","282778","2023-04-20","18:15:10",""
"1564828","11.9278","0.0002","10.5456","0.0001","19.9364","0.0003","90","","94.787","0.001","90","","2498.97","0.06","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H56 N2 Na8 O46 P6 Tb -","- C6 H56 N2 Na8 O45.996 P6 Tb -","- C12 H112 N4 Na16 O91.992 P12 Tb2 -","2","0.5","","Somov, N.V.; Zakirova, R.M.; Shumilova, M.A.; Petrov, V.G.; Zhirov, D.K.","Bis-hexaaquasodium Decaaqua-monohydrogen-hexasodiumterbium(III)-bis-(nitrilo-tris-methylenephosphonate) Hexahydrate [TbNa6H(H2O)10{N(CH2PO3)3}2] [Na(H2O)6]2 6H2O","Crystallography Reports","2018","63","6","901","908","10.1134/S1063774518050280","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0612","0.063","","","","","","1.078","","","","has coordinates","269580","2021-10-05","10:05:03",""
"1564829","6.3024","0.0002","21.5639","0.0007","18.1608","0.0006","90","","91.261","0.003","90","","2467.53","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H33 N Na5 O22 P3 -","- C3 H33 N Na5 O22 P3 -","- C12 H132 N4 Na20 O88 P12 -","4","1","","Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Petrov, V.G.; Shumilova, M.A.","Kristallicheskaya struktura tetra- i penta natriyevykh soley nitrilo trismetilen fosfonovoy kisloty","Zhurnal neorganicheskoy khimii","2018","","1","46","53","10.7868/S0044457X18010063","","x-ray","0.71073","MoKα","","0.0692","0.0588","","","0.1154","0.1198","","","","","","1.211","","","","has coordinates","282778","2023-04-20","18:15:11",""
"1566109","21.3337","0.001","11.3712","0.0007","10.4936","0.0007","90","","103.041","0.003","90","","2480","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C104 H128 N16 O24 -","4","1","","Guillon, Jean; Rubio, Sandra; Savrimoutou, Solène; Hallé, François; Moreau, Stéphane; Sonnet, Pascal; Marchivie, Mathieu","Crystal structure and identification of a pyrimido[6,1-b][1,3]oxazin-6-one derivative from the reaction of acrolein with 5-(phenoxymethyl)-2-amino-2-oxazoline","Comptes Rendus Chimie","2018","21","11","987","992","10.1016/j.crci.2018.09.013","","","1.5418","CuKα","","0.0569","0.0501","","","0.1584","0.1878","","","","","","1.189","","","","has coordinates,has disorder","272210","2022-01-24","09:01:40",""
"1566136","14.9664","0.0016","14.9764","0.0015","47.378","0.004","88.856","0.002","87.71","0.003","60.02","","9191.2","1.6","295","2","295","2","","","","","","","","5","P 1","P 1","1","17217z","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C360 H384 N48 O72 S24 -","24","24","","Jakkaraj, Sudhakar R.; Young, Victor G.; Georg, Gunda I.","Syntheses of PDE3A inhibitor ORG9935 and determination of the absolute stereochemistries of its enantiomers by X-ray crystallography","Tetrahedron","2018","74","22","2769","2774","10.1016/j.tet.2018.04.045","","","0.71073","MoKα","","0.0976","0.0873","","","0.2313","0.241","","","","","","1.017","","","","has coordinates","272249","2022-01-26","12:37:44",""
"1566166","4.4218","0.0002","28.1414","0.0011","10.3354","0.0004","90","","97.899","0.001","90","","1273.89","0.09","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methoxyphenoxy bromobenzo thiadiazole","4-(4-methoxyphenoxy)-7-bromobenzo[c][1,2,5]thiadiazole","","- C13 H9 Br N2 O2 S -","- C13 H9 Br N2 O2 S -","- C52 H36 Br4 N8 O8 S4 -","4","1","","Pazini, Alessandra; Maqueira, Luis; Avila, Harold C.; Valente, Felipe M.; Aderne, Rian E.; Back, Davi; Aucélio, Ricardo Q.; Cremona, Marco; Limberger, Jones","Phenoxy-benzothiadiazole dyes: Synthesis, photophysical properties and preliminary application in OLEDs","Tetrahedron Letters","2018","59","31","2994","2999","10.1016/j.tetlet.2018.06.052","","","0.71073","MoKα","","0.0487","0.0335","","","0.0828","0.0899","","","","","","1.078","","","","has coordinates","272271","2022-01-27","08:32:25",""
"1566167","9.533","0.0004","36.5907","0.0016","10.1464","0.0004","90","","101.282","0.001","90","","3470.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methoxyphenoxy methoxyphenyl benzo thiadiazole","4-(4-methoxyphenoxy)-7-(4-methoxyphenyl)benzo[c][1,2,5]thiadiazole","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C160 H128 N16 O24 S8 -","8","2","","Pazini, Alessandra; Maqueira, Luis; Avila, Harold C.; Valente, Felipe M.; Aderne, Rian E.; Back, Davi; Aucélio, Ricardo Q.; Cremona, Marco; Limberger, Jones","Phenoxy-benzothiadiazole dyes: Synthesis, photophysical properties and preliminary application in OLEDs","Tetrahedron Letters","2018","59","31","2994","2999","10.1016/j.tetlet.2018.06.052","","","0.71073","MoKα","","0.104","0.0487","","","0.1019","0.12","","","","","","1.014","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566251","21.374","0.002","15.451","0.003","12.168","0.002","90","","122.261","0.013","90","","3398.1","1","296.63","0.15","296.63","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- As1.259 Bi7 H11.493 O37.5 P2.741 U4 -","- As1.26 Bi7 O37.5 P2.74 U4 -","- As5.04 Bi28 O150 P10.96 U16 -","4","0.5","","Jakub Plasil; Anthony R. Kampf; Jiri Sejkora; Jiri Cejka; Radek Skoda; Jaromir Tvrdy","Horakite, a new hydrated bismuth uranyl-arsenate-phosphate mineral from Jachymov (Czech Republic) with a unique uranyl-anion topology","Journal of GeoSciences","2018","63","","265","276","10.3190/jgeosci.267","","x-ray","0.71073","MoKα","","0.135","0.0595","","","0.1131","0.1458","","","","1.22","1.22","1.09","","","","has coordinates","272414","2022-02-02","09:20:41",""
"1566252","16.781","0.0005","14.7044","0.0004","14.2985","0.0005","90","","90","","90","","3528.22","0.19","296.57","0.19","296.57","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- H36 O21 U4 -","- O21 U4 -","- O168 U32 -","8","1","","Jakub Plasil","The crystal structure of uranyl-oxide mineral schoepite, [(UO2)4O (OH)6]( H2O)6, revisited","Journal of GeoSciences","2018","63","","65","73","10.3190/jgeosci.252","","x-ray","0.71073","MoKα","","0.0466","0.0264","","","0.0579","0.0658","","","","1.38","1.38","1.31","","","","has coordinates","272415","2022-02-02","09:27:03",""
"2020878","8.181","0.004","12.168","0.005","22.99","0.01","90","","92.197","0.007","90","","2286.9","1.8","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dichloridobis(1,2,5-thiadiazolo[3,4-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^1^,<i>N</i>^10^)copper(II)","","- C24 H12 Cl2 Cu N8 S2 -","- C24 H12 Cl2 Cu N8 S2 -","- C96 H48 Cl8 Cu4 N32 S8 -","4","0.5","FP3044","Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.","Synthesis, crystal structure and biological properties of a <i>cis</i>-dichloridobis(diimine)copper(II) complex","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018551","","","0.71073","MoKα","","0.0483","0.0426","","","0.1116","0.1162","","","","","","1.036","","","","has coordinates,has Fobs","205154","2020-10-21","18:00:00",""
"2020879","22.0884","0.0006","22.0884","0.0006","22.0884","0.0006","90","","90","","90","","10776.9","0.5","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tris[<i>N</i>-(2-hydroxyethyl)-2,2'-iminodiiethanolato]tris(2,2',2''-\ nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate)","","- C36 H75 Cl2 Fe7 N6 O26 -","- C36 H75 Cl2 Fe7 N6 O26 -","- C288 H600 Cl16 Fe56 N48 O208 -","8","0.333333","QF3003","van der Horn, Jitschaq A.; Lutz, Martin","Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018460","","","0.71073","MoKα","","0.047","0.0279","","","0.0629","0.0695","","","","","","1.022","","","","has coordinates,has Fobs","205155","2020-10-21","18:00:00",""
"2020880","5.9328","0.0012","10.245","0.002","10.853","0.002","105.33","0.03","103.2","0.03","94","0.03","613.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(methanol-κ<i>O</i>)bis[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]manganese(II)","","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","1","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0625","0.055","","","0.1108","0.1152","","","","","","1.087","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020881","9.1343","0.0018","14.26","0.003","16.985","0.003","90","","91.3","0.03","90","","2211.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido]-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^;κ^3^<i>N</i>^2^:<i>N</i>^1^,<i>O</i>-bis{aqua[5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^2^<i>N</i>^1^,<i>O</i>]lead(II)}","","- C40 H36 N20 O6 Pb2 -","- C40 H36 N20 O6 Pb2 -","- C80 H72 N40 O12 Pb4 -","2","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0353","0.0331","","","0.0904","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020882","20.035","0.004","13.401","0.003","25.119","0.005","90","","106.58","0.03","90","","6464","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis[μ~2~-5-(3-phenylprop-2-enamido)-1<i>H</i>-1,2,3,4-tetrazol-1-ido-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^2^]tricadmium(II)","","- C60 H48 Cd3 N30 O6 -","- C60 H48 Cd3 N30 O6 -","- C240 H192 Cd12 N120 O24 -","4","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0444","0.0301","","","0.0642","0.0692","","","","","","1.015","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020883","16.4233","0.0014","11.5002","0.0009","7.6203","0.0006","90","","91.914","0.007","90","","1438.5","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca O8 -","- C14 H14 Ca O8 -","- C56 H56 Ca4 O32 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0305","0.0267","","","0.0653","0.0676","","","","","","1.083","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020884","16.4335","0.0007","11.4974","0.0004","7.6301","0.0003","90","","91.778","0.004","90","","1440.96","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.96 O8 Sr0.04 -","- C14 H14 Ca0.959 O8 Sr0.041 -","- C56 H56 Ca3.836 O32 Sr0.164 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.022","0.0211","","","0.0545","0.0551","","","","","","1.068","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020885","16.4344","0.0003","11.4853","0.0002","7.6417","0.0002","90","","91.785","0.002","90","","1441.7","0.05","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.92 O8 Sr0.08 -","- C14 H14 Ca0.917 O8 Sr0.083 -","- C56 H56 Ca3.668 O32 Sr0.332 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0224","0.0211","","","0.0524","0.053","","","","","","1.08","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020886","16.4921","0.001","11.5345","0.0008","7.6679","0.0005","90","","91.838","0.006","90","","1457.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.83 O8 Sr0.17 -","- C14 H14 Ca0.835 O8 Sr0.165 -","- C56 H56 Ca3.34 O32 Sr0.66 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0418","0.0364","","","0.0861","0.093","","","","","","1.086","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020887","16.5626","0.0013","11.4921","0.001","7.7041","0.0007","90","","91.588","0.008","90","","1465.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.69 O8 Sr0.31 -","- C14 H14 Ca0.694 O8 Sr0.306 -","- C56 H56 Ca2.776 O32 Sr1.224 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0257","0.0238","","","0.055","0.0559","","","","","","1.107","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020888","16.5994","0.001","11.4832","0.0006","7.765","0.0005","90","","91.555","0.005","90","","1479.57","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.47 O8 Sr0.53 -","- C14 H14 Ca0.471 O8 Sr0.529 -","- C56 H56 Ca1.884 O32 Sr2.116 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0316","0.027","","","0.0566","0.0581","","","","","","1.117","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020889","16.6319","0.0006","11.4995","0.0004","7.7729","0.0003","90","","91.599","0.004","90","","1486.05","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.37 O8 Sr0.63 -","- C14 H14 Ca0.368 O8 Sr0.632 -","- C56 H56 Ca1.472 O32 Sr2.528 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0228","0.0208","","","0.0512","0.0522","","","","","","1.061","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020890","16.665","0.0011","11.4816","0.0007","7.8105","0.0005","90","","91.576","0.006","90","","1493.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.21 O8 Sr0.79 -","- C14 H14 Ca0.211 O8 Sr0.789 -","- C56 H56 Ca0.844 O32 Sr3.156 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0277","0.0243","","","0.0522","0.0535","","","","","","1.06","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020891","16.6693","0.0009","11.4865","0.0007","7.8446","0.0004","90","","91.51","0.005","90","","1501.5","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.17 O8 Sr0.83 -","- C14 H14 Ca0.165 O8 Sr0.835 -","- C56 H56 Ca0.66 O32 Sr3.34 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0322","0.0274","","","0.0625","0.0645","","","","","","1.075","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020892","16.7182","0.0006","11.4644","0.0004","7.8627","0.0003","90","","91.66","0.003","90","","1506.37","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquastrontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 O8 Sr -","- C14 H14 O8 Sr -","- C56 H56 O32 Sr4 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","1.5418","CuKα","","0.0276","0.0273","","","0.073","0.0732","","","","","","1.172","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020893","16.8381","0.0007","11.4349","0.0005","7.9433","0.0003","90","","91.28","0.004","90","","1529.04","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaquabarium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ba0.27 O8 Sr0.73 -","- C14 H14 Ba0.271 O8 Sr0.729 -","- C56 H56 Ba1.084 O32 Sr2.916 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0227","0.0207","","","0.0434","0.0439","","","","","","1.171","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020894","12.6989","0.0004","13.0236","0.0006","14.1585","0.0005","90","","90","","90","","2341.61","0.15","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-Methylenedihydrazinecarboximidamide dinitrate","2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate","","- C3 H14 N10 O6 -","- C3 H14 N10 O6 -","- C24 H112 N80 O48 -","8","1","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.0832","0.0518","","","0.1003","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020895","8.4242","0.0001","10.0515","0.0002","13.1557","0.0002","90","","90","","90","","1113.97","0.03","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","1,2-Bis(diaminomethylidene)hydrazine-1,2-diium tetrachloridocuprate(II)","","- C2 H10 Cl4 Cu N6 -","- C2 H10 Cl4 Cu N6 -","- C8 H40 Cl16 Cu4 N24 -","4","0.5","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.026","0.0239","","","0.0605","0.0613","","","","","","1.177","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020896","7.7103","0.0007","12.7416","0.0011","14.2187","0.0012","75.1572","0.0011","77.8324","0.0011","73.4904","0.0011","1280.16","0.19","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","Tribenzylbis(tetrahydrofuran-κ<i>O</i>)lutetium(III)","","- C29 H37 Lu O2 -","- C29 H37 Lu O2 -","- C58 H74 Lu2 O4 -","2","1","","Saliu, Kuburat O.; Takats, Josef; McDonald, Robert","Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III)","Acta Crystallographica Section E Crystallographic Communications","2018","74","2","88","","10.1107/S2056989017018254","","","0.71073","MoKα","","0.025","0.0213","","","0.0494","0.0506","","","","","","1.071","","","","has coordinates,has Fobs","205167","2020-10-21","18:00:00",""
"2020942","20.0932","0.0009","7.1128","0.0003","10.4548","0.0004","90","","96.857","0.001","90","","1483.5","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^:<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)]","","- C12 H10 Cd N6 O6 -","- C12 H10 Cd N6 O6 -","- C48 H40 Cd4 N24 O24 -","4","0.5","EG3232","Meng, Li; Zhu, Miao-Li; Lu, Li-Ping","Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalate","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000025","","","0.71073","MoKα","","0.0172","0.0156","","","0.0379","0.0386","","","","","","1.102","","","","has coordinates,has Fobs","205352","2020-10-21","18:00:00",""
"2020943","23.3641","0.0008","10.0825","0.0003","21.4524","0.0007","90","","115.885","0.001","90","","4546.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>RS</i>)-4-(2-Allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C224 H224 N16 O16 -","8","2","YF3132","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A versatile synthesis of cyclic dipeptides using the stepwise construction of the piperazine-2,5-dione ring from simple precursors: synthetic sequence and the structure of a representative product, (3<i>RS</i>)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000037","","","0.71073","MoKα","","0.0787","0.049","","","0.1034","0.1173","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","205353","2020-10-21","18:00:00",""
"2020944","3.761","0.0003","13.2538","0.0009","18.8657","0.0019","90","","91.226","0.009","90","","940.19","0.14","105.6","","105.6","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Bis(1,3-diazaazulen-2-yl)benzene","2-[4-(Cyclohepta[<i>d</i>]imidazol-2-yl)phenyl]cyclohepta[<i>d</i>]imidazole","","- C22 H14 N4 -","- C22 H14 N4 -","- C44 H28 N8 -","2","0.5","LF3067","Sun, Peili; Zhang, Zongyao; Luo, Hongxia; Zhang, Pu; Qin, Yujun; Guo, Zhi-Xin","Synthesis, crystal structure and photophysical properties of 1,4-bis(1,3-diazaazulen-2-yl)benzene: a new π building block","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018459","","","0.7107","MoKα","","0.0694","0.0535","","","0.1457","0.1551","","","","","","1.062","","","","has coordinates,has Fobs","205354","2020-10-21","18:00:00",""
"2020945","13.771","0.0004","13.9822","0.0004","14.7181","0.0005","81.074","0.003","79.523","0.003","73.152","0.003","2651.24","0.15","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquatetrakis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^<i>N</i>:<i>S</i>^3^:<i>S</i>^3^)tetrasilver(I)]-μ~2~-4,4'-(propane-1,3-dyl)dipyridine-κ^2^<i>N</i>:<i>N</i>'] dimethyl sulfoxide hemisolvate]","","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C84 H70 Ag8 N12 O19 S17 -","2","1","","Dennehy, Mariana; Amo-Ochoa, Pilar; Freire, Eleonora; Suárez, Sebastián; Halac, Emilia; Baggio, Ricardo","Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000128","","","0.71073","MoKα","","0.1021","0.0558","","","0.1294","0.158","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","205400","2020-10-21","18:00:00",""
"2020946","4.9216","0.0003","8.5949","0.0006","12.1187","0.0007","108.61","0.006","97.243","0.005","92.752","0.005","479.82","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","Beta-alanine-DL-tartaric acid (1:1) (III)","Beta-alanine-DL-tartaric acid (1:1) (III)","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0499","0.0397","","","0.0968","0.1066","","","","","","1.04","","","","has coordinates","205401","2020-10-21","18:00:00",""
"2020947","4.9336","0.0002","10.0324","0.0007","11.3232","0.0007","103.464","0.006","94.31","0.005","99.766","0.005","533.29","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","","- C8 H15 N O8 -","- C8 H15 N O8 -","- C16 H30 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and <small>DL</small>-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0401","0.0338","","","0.0818","0.0855","","","","","","1.031","","","","has coordinates,has disorder","205401","2020-10-21","18:00:00",""
"2020948","14.444","0.004","17.342","0.004","19.351","0.005","68.318","0.004","70.484","0.003","75.994","0.003","4206.4","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaquapentakis[μ-5,5'-bis(pyridin-4-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(μ~3~-4,4'-oxydibenzoato)-κ^10^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''';κ^6^<i>O</i>:<i>O</i>':<i>O</i>''-pentacadmium(II)]","","- C152 H110 Cd5 N14 O30 S10 -","- C146 H96 Cd5 N12 O28 S10 -","- C146 H96 Cd5 N12 O28 S10 -","1","0.5","LF3063","Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang","A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001006","","","0.71073","MoKα","","0.0808","0.0437","","","0.0911","0.0998","","","","","","1.017","","","","has coordinates,has Fobs","205531","2020-10-21","18:00:00",""
"2020949","9.7868","0.0009","13.9567","0.0012","13.3764","0.0011","90","","101.816","0.002","90","","1788.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H16 Cl N O2 S -","- C20 H16 Cl N O2 S -","- C80 H64 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1017","0.0447","","","0.1007","0.1307","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020950","10.7264","0.0006","9.1208","0.0005","22.9103","0.0015","90","","94.414","0.002","90","","2234.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-4-phenylbenzamide","","- C26 H20 Cl N O2 S -","- C26 H20 Cl N O2 S -","- C104 H80 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0767","0.0468","","","0.1096","0.1295","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020951","18.8096","0.001","11.5021","0.0007","19.9112","0.0011","90","","118.03","0.002","90","","3802.5","0.4","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-Bromo-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H15 Br Cl N O2 S -","- C20 H15 Br Cl N O2 S -","- C160 H120 Br8 Cl8 N8 O16 S8 -","8","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0952","0.0446","","","0.101","0.1222","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020952","8.1813","0.0006","11.8276","0.0007","20.1347","0.0012","90","","94.388","0.002","90","","1942.6","0.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-iodobenzamide","","- C20 H15 Cl I N O2 S -","- C20 H15 Cl I N O2 S -","- C80 H60 Cl4 I4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0803","0.0446","","","0.1081","0.1278","","","","","","1.016","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020953","7.4798","0.0003","11.4237","0.0005","12.0933","0.0005","105.814","0.002","101.959","0.003","99.187","0.003","946.66","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-methoxybenzamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0939","0.0451","","","0.0985","0.1213","","","","","","1.025","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020954","58.0164","0.001","7.8002","0.0002","16.1365","0.0003","90","","92.105","0.001","90","","7297.5","0.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2,6-difluorobenzamide","","- C20 H14 Cl F2 N O2 S -","- C20 H14 Cl F2 N O2 S -","- C320 H224 Cl16 F32 N16 O32 S16 -","16","2","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","1.54178","CuKα","","0.119","0.0659","","","0.1349","0.1587","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020955","8.1296","0.0006","9.5899","0.0006","10.8824","0.0008","66.84","0.004","71.533","0.004","71.35","0.004","721.1","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Benzotriazol-1-yl 3,4-dimethoxybenzoate","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1064","0.0519","","","0.1241","0.1561","","","","","","1.029","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020956","6.0838","0.0008","9.3592","0.0013","6.0632","0.0009","90","","113.543","0.003","90","","316.5","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium chloride dihydrate","","- Cl H4 Li O2 -","- Cl H4 Li O2 -","- Cl4 H16 Li4 O8 -","4","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0152","0.0147","","","0.0372","0.0374","","","","","","1.087","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020957","5.3001","0.0011","6.397","0.0019","6.406","0.0015","63.694","0.01","82.044","0.007","65.567","0.005","177","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Lithium bromide dihydrate","","- Br H4 Li O2 -","- Br H4 Li O2 -","- Br2 H8 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0391","0.0364","","","0.0956","0.0968","","","","","","1.011","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020958","5.454","0.003","6.842","0.002","6.97","0.002","61.9","0.11","80.72","0.12","67.02","0.13","211.1","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","Lithium iodide dihydrate","","- H4 I Li O2 -","- H4 I Li O2 -","- H8 I2 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0782","0.0772","","","0.2161","0.2174","","","","","","1.168","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020959","7.1626","0.0011","10.351","0.002","5.6038","0.0008","90","","90","","90","","415.47","0.12","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium chloride trihydrate","","- Cl H6 Li O3 -","- Cl H6 Li O3 -","- Cl4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0141","0.0127","","","0.0326","0.0334","","","","","","1.024","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020960","7.2785","0.0017","11.088","0.003","5.687","0.002","90","","90","","90","","459","0.2","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium bromide trihydrate","","- Br H6 Li O3 -","- Br H6 Li O3 -","- Br4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0278","0.0275","","","0.0728","0.073","","","","","","1.019","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020961","7.461","0.0018","7.461","0.0018","5.459","0.003","90","","90","","120","","263.17","0.17","250","2","250","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium iodide trihydrate","","- H6 I Li O3 -","- H6 I Li O3 -","- H12 I2 Li2 O6 -","2","0.0833333","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0162","0.015","","","0.0378","0.038","","","","","","1.066","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020962","6.247","0.002","9.232","0.004","11.677","0.005","88.34","0.03","77.53","0.03","70.77","0.03","620.2","0.4","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium chloride pentahydrate","","- Cl H10 Li O5 -","- Cl H10 Li O5 -","- Cl4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0605","0.0585","","","0.16","0.1626","","","","","","1.013","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020963","6.353","0.002","9.453","0.004","11.954","0.005","89.15","0.03","77.53","0.03","71.69","0.03","664.4","0.5","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium bromide pentahydrate","","- Br H10 Li O5 -","- Br H10 Li O5 -","- Br4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0325","0.0254","","","0.0648","0.0711","","","","","","1.001","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020964","10.1425","0.0005","16.1771","0.0007","24.5865","0.0011","106.98","0.001","99.453","0.001","96.998","0.001","3743.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BINAP + dithio","Bis(μ-naphthalene-2-thiolato-κ^2^<i>S</i>:<i>S</i>)bis(tricarbonyliron)(<i>Fe</i>—<i>Fe</i>)","","- C26 H14 Fe2 O6 S2 -","- C26 H14 Fe2 O6 S2 -","- C156 H84 Fe12 O36 S12 -","6","3","FN3252","Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan","Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000712","","","0.71073","MoKα","","0.059","0.0429","","","0.1046","0.114","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","205534","2020-10-21","18:00:00",""
"2020965","18.4485","0.0004","11.6452","0.0003","19.5931","0.0005","90","","90","","90","","4209.31","0.18","130","4","130","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C216 H192 N16 O16 -","8","1","FN3256","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","0.71073","MoKα","","0.0436","0.0374","","","0.0889","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","205535","2020-10-21","18:00:00",""
"2020966","10.281","0.0002","23.5073","0.0005","12.3557","0.0002","90","","95.674","0.002","90","","2971.48","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-9,9-bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene-κ^3^<i>N</i>:<i>N</i>':<i>O<i>]bis(methanol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)] methanol disolvate]","","- C30 H36 N2 Ni O9 S -","- C30 H36 N2 Ni O9 S -","- C120 H144 N8 Ni4 O36 S4 -","4","1","","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","1.54184","CuKα","","0.0453","0.0373","","","0.0947","0.1011","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205535","2020-10-21","18:00:00",""
"2020967","9.0137","0.0004","10.608","0.0006","11.8132","0.0006","84.941","0.003","85.798","0.002","69.408","0.002","1052.18","0.09","296","","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dihydroxybenzoate methanol monosolvate","","- C20 H23 Cl N4 O5 -","- C20 H23 Cl N4 O5 -","- C40 H46 Cl2 N8 O10 -","2","1","LY3057","Faroque, Muhammad Umer; Noureen, Sajida; Ahmed, Maqsood; Tahir, Muhammad Nawaz","Electrostatic properties of the pyrimethamine‒2,4-dihydroxybenzoic acid cocrystal in methanol studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","1","100","107","10.1107/S2053229617017788","","","0.71073","MoKα","","0.0448","0.0315","","","0.0569","0.0609","","","","","","1.022","","","","has coordinates,has Fobs","205699","2020-10-21","18:00:00",""
"2020968","15.9489","0.0011","7.2739","0.0004","15.9222","0.001","90","","95.813","0.004","90","","1837.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-3-fluorobenzamide","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.0911","0.0463","","","0.1007","0.1224","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020969","11.6776","0.0006","14.2461","0.0008","12.2957","0.0007","90","","109.336","0.002","90","","1930.13","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-4-chlorobenzamide","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1034","0.0472","","","0.1074","0.142","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020970","7.6718","0.0003","9.8833","0.0003","13.5925","0.0005","104.925","0.004","95.476","0.002","103.633","0.003","954.32","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-2,6-difluorobenzamide","","- C22 H17 F2 N O2 S -","- C22 H17 F2 N O2 S -","- C44 H34 F4 N2 O4 S2 -","2","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.082","0.0411","","","0.0876","0.1078","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020971","8.5129","0.0009","12.923","0.0014","19.031","0.002","96.811","0.005","102.665","0.006","105.321","0.005","1935.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)-2-methoxybenzamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1271","0.0519","","","0.1167","0.1509","","","","","","0.973","","","","has coordinates,has Fobs","205700","2020-10-21","18:00:00",""
"2020972","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related <i>N</i>-(3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-2-yl)benzamides: order <i>versus</i> disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.7107","MoKα","","0.0442","0.0361","","","0.0814","0.0864","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020973","7.7255","0.0009","9.1381","0.0014","12.4594","0.0017","92.241","0.011","104.034","0.01","97.248","0.011","844.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/2)","","- C13 H18 N10 O S -","- C13 H18 N10 O S -","- C26 H36 N20 O2 S2 -","2","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.044","0.0354","","","0.0897","0.0928","","","","","","1.037","","","","has coordinates,has Fobs","205703","2020-10-21","18:00:00",""
"2020974","10.0743","0.001","14.383","0.001","18.647","0.002","90","","100.427","0.008","90","","2657.3","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C21 H31 N13 O3 S2 -","- C21 H31 N13 O3 S2 -","- C84 H124 N52 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0426","0.0366","","","0.0884","0.0908","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020975","11.1237","0.0013","19.5259","0.0014","16.7313","0.0016","90","","100.9","0.008","90","","3568.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Methyl-2-thiouracil‒2,4-diamino-6-phenyl-1,3,5-triazine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C15.5 H18.5 N7.5 O1.5 S -","- C15.5 H18.5 N7.5 O1.5 S -","- C124 H148 N60 O12 S8 -","8","2","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.111","0.0527","","","0.0866","0.1003","","","","","","0.894","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2020976","22.573","0.003","9.1593","0.0012","13.9211","0.0016","90","","98.701","0.01","90","","2845.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒<i>N</i>,<i>N</i>-dimethylformamide (2/2/1)","","- C21 H31 N13 O5 S2 -","- C21 H31 N13 O5 S2 -","- C84 H124 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0771","0.0503","","","0.1061","0.1158","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020977","23.53","0.003","8.7478","0.0009","14.2006","0.0016","90","","102.037","0.01","90","","2858.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3<i>H</i>-isocytosine‒<i>N</i>,<i>N</i>-dimethylacetamide (2/2/1)","","- C22 H33 N13 O5 S2 -","- C22 H33 N13 O5 S2 -","- C88 H132 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0855","0.0467","","","0.0796","0.0887","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020978","17.6827","0.0007","17.6827","0.0007","16.4925","0.0009","90","","90","","120","","4466","0.3","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","5-Methyl-2-thiouracil‒melamine (3/2)","","- C21 H30 N18 O3 S3 -","- C21 H30 N18 O3 S3 -","- C126 H180 N108 O18 S18 -","6","","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0367","0.0359","","","0.0935","0.0943","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020979","12.992","0.005","12.399","0.005","23.385","0.009","90","","92.81","0.013","90","","3763","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>N</i>^2^,<i>N</i>^3^-Bis[2,6-bis(propan-2-yl)phenyl]butane-2,3-diamine","","- C28 H44 N2 -","- C28 H44 N2 -","- C168 H264 N12 -","6","1.5","YP3148","Dolinar, Brian S.; Samedov, Kerim; Maloney, Andrew G. P.; West, Robert; Khrustalev, Victor N.; Guzei, Ilia A.","A chiral diamine: practical implications of a three-stereoisomer cocrystallization","Acta Crystallographica Section C","2018","74","1","54","61","10.1107/S2053229617017168","","","0.71073","MoKα","","0.0678","0.0463","","","0.1029","0.113","","","","","","1.063","","","","has coordinates,has Fobs","205704","2020-10-21","18:00:00",""
"2020980","18.931","0.0013","12.4391","0.0006","21.78","0.0011","90","","98.012","0.005","90","","5078.8","0.5","171.6","","171.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris[μ-diphenyl(pyridin-2-yl)phosphane-κ^2^<i>P</i>:<i>N</i>]di-μ~3~-iodido-tricopper(I)(3 <i>Cu</i>—<i>Cu</i>) hexafluoridophosphate","","- C51 H42 Cu3 F6 I2 N3 P4 -","- C51 H42 Cu3 F6 I2 N3 P4 -","- C204 H168 Cu12 F24 I8 N12 P16 -","4","1","OV3100","Zhu, Qiu-Meng; Song, Li; Chai, Wen-Xiang; Shen, Hang-Yan; Wei, Qin-Hua; Qin, Lai-Shun","A novel luminescent ionic trinuclear Cu~3~I~2~ cluster cuprous complex supported by a P^N ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","1","62","68","10.1107/S2053229617017314","","","0.71073","MoKα","","0.0652","0.0391","","","0.0839","0.0939","","","","","","1.024","","","","has coordinates,has Fobs","205705","2020-10-21","18:00:00",""
"2020981","6.9783","0.0005","9.7631","0.0007","11.8912","0.0009","78.365","0.006","74.458","0.006","81.063","0.006","760.07","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Phenyl-2-phthalimidoethanesulfonamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0581","0.0389","","","0.0926","0.1036","","","","","","1.019","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020982","7.1547","0.0006","10.4322","0.0013","11.8228","0.0016","100.106","0.011","104.043","0.01","102.278","0.009","812.14","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Nitrophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 N3 O6 S -","- C16 H13 N3 O6 S -","- C32 H26 N6 O12 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0708","0.0439","","","0.0932","0.1051","","","","","","1.032","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020983","10.9408","0.0009","7.2555","0.0007","21.1923","0.0018","90","","99.838","0.008","90","","1657.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Methoxyphenyl)-2-phthalimidoethanesulfonamide","","- C17 H16 N2 O5 S -","- C17 H16 N2 O5 S -","- C68 H64 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0586","0.0377","","","0.0851","0.0956","","","","","","1.062","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020984","15.356","0.003","7.4014","0.0005","25.061","0.005","90","","141.36","0.04","90","","1778.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.1442","0.0533","","","0.0901","0.1193","","","","","","0.99","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020985","8.7481","0.0003","11.9399","0.0004","16.4168","0.0007","84.921","0.003","88.623","0.003","71.161","0.003","1616.51","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κ<i>O</i>)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II) monohydrate","","- C30 H38 N10 O5 Zn -","- C30 H38 N10 O5 Zn -","- C60 H76 N20 O10 Zn2 -","2","1","YF3128","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0331","0.0312","","","0.0835","0.0849","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205707","2020-10-21","18:00:00",""
"2020986","7.087","0.0003","13.7109","0.0007","15.2483","0.0008","84.36","0.004","83.99","0.004","82.531","0.004","1455.62","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(azido-κ<i>N</i>^1^)bis[1-(1<i>H</i>-benzotriazol-1-ylmethyl)-2-propyl-1<i>H</i>-imidazole-κ<i>N</i>^3^]zinc(II)","","- C26 H30 N16 Zn -","- C26 H30 N16 Zn -","- C52 H60 N32 Zn2 -","2","1","","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0403","0.0333","","","0.0877","0.0932","","","","","","1.028","","","","has coordinates,has Fobs","205707","2020-10-21","18:00:00",""
"2020987","11.3338","0.0006","5.765","0.0003","13.9048","0.0008","90","","110.371","0.0011","90","","851.71","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfanilic acid dihydrate","4-Aminobenzene-1-sulfonic acid dihydrate","","- C6 H11 N O5 S -","- C6 H11 N O5 S -","- C24 H44 N4 O20 S4 -","4","1","KU3211","Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli","The ephemeral dihydrate of sulfanilic acid","Acta Crystallographica Section C","2018","74","1","7","12","10.1107/S2053229617016886","","","0.71073","MoKα","","0.0433","0.0363","","","0.0887","0.0933","","","","","","1.014","","","","has coordinates,has Fobs","205708","2020-10-21","18:00:00",""
"2020988","8.5763","0.0004","9.7305","0.0005","11.4194","0.0005","111.379","0.001","108.656","0.002","93.04","0.002","825.08","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide disolvate","","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","1","0.5","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0439","0.0343","","","0.087","0.0907","","","","","","1.047","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020989","8.9076","0.0004","25.5878","0.0011","13.6411","0.0006","90","","105.644","0.002","90","","2994","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide monosolvate","","- C28 H32 N6 O9 S3 -","- C28 H32 N6 O9 S3 -","- C112 H128 N24 O36 S12 -","4","1","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0596","0.0386","","","0.0822","0.0906","","","","","","1.029","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020990","8.8317","0.0014","24.261","0.003","6.9706","0.0014","90","","90","","90","","1493.6","0.4","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(<i>E</i>)-1-<i>tert</i>-butyl-5-[(4-chlorobenzylidene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C64 H64 Cl4 N12 -","4","0.5","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.056","0.049","","","0.1325","0.1393","","","","","","1.088","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020991","6.5428","0.0007","7.9586","0.0011","30.415","0.005","90","","92.987","0.013","90","","1581.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-<i>tert</i>-Butyl-5-[(2,4-dichlorobenzylidene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H15 Cl2 N3 -","- C16 H15 Cl2 N3 -","- C64 H60 Cl8 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0654","0.0558","","","0.1426","0.1521","","","","","","1.041","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020992","8.1494","0.0008","9.0629","0.001","9.4859","0.0009","92.465","0.008","97.113","0.008","97.136","0.009","688.61","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-<i>tert</i>-Butyl-5-[(pyridin-4-ylmethylene)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C15 H16 N4 -","- C15 H16 N4 -","- C30 H32 N8 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0588","0.0526","","","0.1454","0.1513","","","","","","1.052","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020993","8.2422","0.001","9.2361","0.001","20.623","0.002","90","","98.521","0.011","90","","1552.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-<i>tert</i>-Butyl-5-[(4-chlorobenzyl)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0975","0.067","","","0.1724","0.1975","","","","","","1.12","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020994","8.97","0.0012","9.3244","0.0012","10.4645","0.0014","105.057","0.012","103.589","0.012","95.078","0.011","811","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-<i>tert</i>-Butyl-5-[(2,4-dichlorobenzyl)amino]-1<i>H</i>-pyrrole-3-carbonitrile","","- C16 H17 Cl2 N3 -","- C16 H17 Cl2 N3 -","- C32 H34 Cl4 N6 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (<i>E</i>)-5-(arylideneamino)-1-<i>tert</i>-butyl-1<i>H</i>-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0663","0.0499","","","0.119","0.1309","","","","","","1.023","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020995","14.0359","0.0006","13.693","0.0005","7.7026","0.0003","90","","92.754","0.004","90","","1478.68","0.1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoguanine hydrochloride","6-Amino-2-oxo-1<i>H</i>,7<i>H</i>-purin-3-ium chloride","","- C5 H6 Cl N5 O -","- C5 H6 Cl N5 O -","- C40 H48 Cl8 N40 O8 -","8","2","LY3059","Budniak, Urszula Anna; Dominiak, Paulina Maria","Molecular tapes in the structure of isoguaninium chloride","Acta Crystallographica Section C","2018","74","1","108","112","10.1107/S2053229617017685","","","1.54184","CuKα","","0.0697","0.0615","","","0.1791","0.1924","","","","","","1.058","","","","has coordinates,has Fobs","205712","2020-10-21","18:00:00",""
"2020996","13.8485","0.0007","15.0536","0.0006","16.6819","0.0009","90","","109.395","0.006","90","","3280.3","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-2,7-bis(pyridine-4-ylmethyl)benzo[<i>imn</i>][3,8]phenanthroline-1,3,6,8(2<i>H</i>,7<i>H</i>)-tetrone]bis(perchlorato)cadmium(II)] chloroform tetrasolvate]","","- C56 H36 Cd Cl14 N8 O16 -","- C56 H36 Cd Cl14 N8 O16 -","- C112 H72 Cd2 Cl28 N16 O32 -","2","1","EG3231","Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang","A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties","Acta Crystallographica Section C","2018","74","1","94","99","10.1107/S2053229617017958","","","0.71073","MoKα","","0.0613","0.0449","","","0.094","0.1003","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","205713","2020-10-21","18:00:00",""
"2020997","7.3991","0.0015","10.637","0.002","11.931","0.002","93.65","0.03","107.37","0.03","108.11","0.03","839","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","8-(4-Methylphenyl)-2'-deoxyadenosine hemihydrate","","- C17 H20 N5 O3.5 -","- C17 H20 N5 O3.5 -","- C34 H40 N10 O7 -","2","2","ZP2024","Ardhapure, Ajaykumar V.; Sanghvi, Yogesh S.; Borozdina, Yulia; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 8-(4-methylphenyl)-2'-deoxyadenosine hemihydrate","Acta Crystallographica Section E","2018","74","1","1","5","10.1107/S2056989017017212","","","0.71073","MoKα","","0.0673","0.0413","","","0.095","0.1098","","","","","","0.996","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2020998","27.0933","0.0011","11.2988","0.0004","7.8989","0.0003","90","","90","","90","","2418.03","0.16","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)calcium(I)]","","- C30 H22 Ca N2 O4 -","- C30 H22 Ca N2 O4 -","- C120 H88 Ca4 N8 O16 -","4","0.5","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.092","0.0505","","","0.1209","0.1457","","","","","","1.041","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2020999","36.4542","0.0007","36.4542","0.0007","10.3535","0.0002","90","","90","","120","","11915.5","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(μ-3-phenylprop-2-enoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)(μ-3-phenylprop-2-enoato-κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')barium(I)]","","- C30 H22 Ba N2 O4 -","- C30 H22 Ba N2 O4 -","- C540 H396 Ba18 N36 O72 -","18","1","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.0638","0.0357","","","0.0758","0.0868","","","","","","1.023","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2021000","5.9762","0.001","5.9949","0.001","14.426","0.003","90","","99.36","0.05","90","","509.96","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Strontium hafnium hexafluoride","","- F12 Hf2 Sr2 -","- F12 Hf2 Sr2 -","- F24 Hf4 Sr4 -","2","0.5","OV3104","Laval, Jean-Paul; Mayet, Richard","High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001110","","","0.7107","MoKα","","0.0199","0.0154","","","","0.0361","","","","","","1.134","","","","has coordinates,has Fobs","205948","2020-10-21","18:00:00",""
"2021001","4.7089","0.0002","9.676","0.0004","12.1952","0.0005","93.387","0.003","92.165","0.002","103.18","0.002","539.32","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-dibenzyl-3,3'-dimethoxy-1,1'-biphenyl-4,4'-diamine","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","1","0.5","","Im, Hansu; Kim, Jineun; Sim, Changeun; Kim, Tae Ho","Crystal structure of N,N′-dibenzyl-3,3′-dimethoxybenzidine","Acta Crystallographica Section E Crystallographic Communications","2018","74","3","271","","10.1107/S2056989018001688","","","0.71073","MoKα","","0.0526","0.0483","","","0.1414","0.1451","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","206075","2020-10-21","18:00:00",""
"2021002","10.8492","0.0007","14.2931","0.0007","9.8604","0.0005","90","","109.543","0.002","90","","1440.95","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>catena</i>-Poly[4-(pyridin-1-ium-4-yl)piperazin-1-ium [[(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)]-μ-oxalato-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^]]","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C52 H60 Cu4 N12 O32 -","4","1","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and <i>N</i>,<i>N</i>'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0908","0.0437","","","0.0863","0.0993","","","","","","1.018","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021003","3.8486","0.0001","10.238","0.0003","10.608","0.0004","109.382","0.002","95.641","0.002","97.93","0.002","385.85","0.02","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4,4'-(Ethane-1,2-diyl)dipyridinium bis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)","","","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","1","0.5","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and <i>N</i>,<i>N</i>'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0383","0.0329","","","0.0839","0.0866","","","","","","1.042","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021004","12.3534","0.0019","12.3534","","17.433","0.003","90","","90","","90","","2660.4","0.6","200","2","200","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Octabismuth undecacalcium diindium","","- Bi8.27 Ca11 In1.73 -","- Bi8.282 Ca11 In1.718 -","- Bi33.128 Ca44 In6.872 -","4","0.125","SK3679","Ovchinnikov, Alexander; Bobev, Svilen","On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001596","","","0.71073","MoKα","","0.0585","0.0379","","","0.0717","0.0782","","","","","","1.072","","","","has coordinates,has Fobs","206448","2020-10-21","18:00:00",""
"2021005","16.3993","0.0012","12.5755","0.0011","21.2196","0.0017","90","","90","","90","","4376.1","0.6","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.24-hydrate","","- C18 H26.48 N2 O9.24 -","- C18 H26.48 N2 O9.24 -","- C144 H211.84 N16 O73.92 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021006","16.4332","0.0013","12.3817","0.0012","21.3581","0.0017","90","","90","","90","","4345.8","0.6","295","1","295","1","","","","","","","","4","P 2 2 21","P 2c 2","17","","1-{[1-(1-<i>tert</i>-Butoxycarbonyl)-<i>L</i>-prolyl]amino}terephthalic acid 2.08-hydrate","","- C18 H26.16 N2 O9.08 -","- C18 H26.16 N2 O9.08 -","- C144 H209.28 N16 O72.64 -","8","2","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021007","7.622","0.0008","18.818","0.0011","17.4277","0.001","90","","90","","90","","2499.7","0.3","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C104 H112 N16 O40 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021008","17.4407","0.0013","9.7795","0.0009","7.0567","0.0007","90","","90","","90","","1203.6","0.19","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021009","7.8601","0.001","8.2489","0.0011","10.7883","0.0014","81.538","0.011","72.352","0.01","61.93","0.009","588.15","0.15","203","2","203","","","","","","","","","3","P -1","-P 1","2","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0687","0.0503","","","0.1233","0.1402","","","","","","1.123","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021010","13.1596","0.0007","16.2514","0.0009","4.4735","0.0002","90","","90","","90","","956.71","0.09","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-Bromo-2,6-bis(hydroxymethyl)anisole","[5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C36 H44 Br4 O12 -","4","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0786","0.0646","","","0.1744","0.1903","","","","","","1.095","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021011","33.315","0.004","4.3913","0.0003","15.9655","0.0017","90","","110.142","0.008","90","","2192.8","0.4","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Bromo-2,6-bis(bromomethyl)anisole","5-Bromo-1,3-bis(bromomethyl)-2-methoxybenzene","","- C9 H9 Br3 O -","- C9 H9 Br3 O -","- C72 H72 Br24 O8 -","8","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0448","0.0333","","","0.0799","0.0881","","","","","","1.099","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021012","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0711","0.0713","","","","","","1.091","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021013","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.232 In0.9321 Pd1.837 -","- Au1.232 In0.9321 Pd1.837 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0724","0.0726","","","","","","1.092","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021014","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4915 In0.888 Pd1.6195 -","- Au1.4915 In0.888 Pd1.6195 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0322","0.0263","","","0.0462","0.0497","","","","","","0.958","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021015","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4918 In0.888 Pd1.6202 -","- Au1.4918 In0.888 Pd1.6202 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0318","0.0251","","","0.0453","0.0496","","","","","","0.957","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021016","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.767 In0.8602 Pd1.372 -","- Au1.767 In0.8602 Pd1.372 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0234","","","0.0543","0.0608","","","","","","1.038","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021017","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.768 In0.8601 Pd1.371 -","- Au1.768 In0.8601 Pd1.371 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0223","","","0.0527","0.0606","","","","","","1.044","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021018","13.0034","0.0004","14.0829","0.0004","31.479","0.001","90","","90","","90","","5764.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one ethyl acetate 0.33-solvate","","- C64 H77 N3 O14 -","- C64.002 H77.005 N3 O14 -","- C256.008 H308.02 N12 O56 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.071","0.0517","","","","0.1462","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2021019","12.5992","0.0002","13.1093","0.0003","26.6586","0.0006","90","","90","","90","","4403.11","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one diethyl ether hemisolvate","","- C44 H56 N2 O9 -","- C44 H56 N2 O9 -","- C176 H224 N8 O36 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.0931","0.0648","","","","0.1927","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206452","2020-10-21","18:00:00",""
"2021020","11.7625","0.00011","12.00313","0.00013","24.2755","0.0002","90","","90","","90","","3427.38","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Griseofulvin","(2<i>S</i>,6'<i>R</i>)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3<i>H</i>,4'<i>H</i>-spiro[1-benzofuran-2,1'-cyclohex-2-ene]-3,4'-dione","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Mahieu, Aurélien; Willart, Jean-François; Guerain, Mathieu; Derollez, Patrick; Danéde, Florence; Descamps, Marc","Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001845","powder diffraction","","1.23922","synchrotron","","0.0985","0.0703","","0.0706","0.0663","","","","1.35","","","","","","","has coordinates,has Fobs","206573","2020-10-21","18:00:00",""
"2021021","19.5314","0.0012","12.7103","0.001","9.8189","0.0005","90","","90","","90","","2437.5","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Cytosinium 6-chloronicotinate","Cytosinium 6-chloropyridine-3-carboxylate","","- C10 H11 Cl N4 O4 -","- C10 H11 Cl N4 O4 -","- C80 H88 Cl8 N32 O32 -","8","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","0.71073","MoKα","","0.1064","0.0614","","","0.1572","0.184","","","","","","1.069","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021022","16.1671","0.0004","4.8786","0.0001","12.0863","0.0003","90","","96.026","0.002","90","","948.01","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-5-bromo-4-hydroxy-6-methylpyrimidinium hydrogensulfate","2-amino-5-bromo-4-oxy-6-methylpyrimidinium hydrogensulfate","","- C5 H8 Br N3 O5 S -","- C5 H8 Br N3 O5 S -","- C20 H32 Br4 N12 O20 S4 -","4","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","1.54184","CuKα","","0.0417","0.0404","","","0.1081","0.1094","","","","","","1.056","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021023","11.202","0.0019","16.609","0.003","19.85","0.006","90","","90","","90","","3693.2","1.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>,2,6,11-Tetramethyl-<i>N</i>-phenyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepin-4-amine","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.1139","0.0564","","","0.0897","0.1094","","","","","","1.087","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021024","9.425","0.002","11.184","0.003","17.321","0.006","90","","101.091","0.011","90","","1791.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Allyl-6-(1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)-<i>N</i>-methyl-<i>N</i>-(4-methylphenyl)pyrimidin-4-amine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.05","0.0423","","","0.1057","0.1111","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021025","11.1086","0.0005","8.7806","0.0003","17.7753","0.0009","90","","103.651","0.002","90","","1684.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-1-yl)-6,11-dimethyl-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine 0.374-hydrate","","- C21 H19.748 N5 O0.374 -","- C21 H19.748 N5 O0.374 -","- C84 H78.992 N20 O1.496 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.0866","0.0498","","","0.1024","0.1171","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021026","9.7866","0.0013","10.2122","0.0015","10.9551","0.0014","97.816","0.009","112.433","0.008","94.149","0.008","993.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6,7,9,11-Tetramethyl-4-(5-methyl-1<i>H</i>-benzo[<i>d</i>]imidazol-1-yl)-6,11-dihydro-5<i>H</i>-benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepine","","- C24 H25 N5 -","- C24 H25 N5 -","- C48 H50 N10 -","2","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[<i>b</i>]pyrimido[5,4-<i>f</i>]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","1.54184","CuKα","","0.0747","0.0498","","","0.116","0.1361","","","","","","1.073","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021027","6.2199","0.0009","7.3301","0.001","11.9153","0.0016","90","","90","","90","","543.25","0.13","100","2","100","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0345","","","0.082","0.0839","","","","","","1.065","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021028","6.2311","0.0008","7.3497","0.001","11.9462","0.0015","90","","90","","90","","547.1","0.12","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0334","","","0.0777","0.0801","","","","","","1.038","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021029","6.2389","0.0008","7.3667","0.001","11.9735","0.0016","90","","90","","90","","550.3","0.13","200","2","200","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0421","0.0376","","","0.0909","0.0946","","","","","","1.11","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021030","6.253","0.005","7.383","0.006","12.017","0.009","90","","90","","90","","554.8","0.8","250","2","250","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0494","0.0382","","","0.0874","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021031","6.262","0.009","7.402","0.011","12.039","0.017","90","","90","","90","","558","1.4","300","2","300","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0763","0.0533","","","0.1219","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021032","13.711","0.0014","19.1598","0.0019","8.9327","0.0008","90","","90","","90","","2346.6","0.4","296","2","296","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","<i>catena</i>-Poly[[diaquacopper(II)-μ-1,6-bis(1<i>H</i>-1,2,4-triazol-1-yl)hexane-κ^2^<i>N</i>^4^:<i>N</i>^4'^] bis(3-amino-4-carboxybenzenesulfonate) dihydrate]","","- C34 H52 Cu N14 O14 S2 -","- C34 H52 Cu N14 O14 S2 -","- C68 H104 Cu2 N28 O28 S4 -","2","0.5","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0456","0.0344","","","0.0858","0.0906","","","","","","1.032","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021033","18.787","0.002","12.0409","0.0012","20.699","0.002","90","","99.905","0.004","90","","4612.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-amino-5-sulfonatobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis{μ-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis[aquacopper(II)] trihydrate","","- C42 H48 Cu2 N10 O15 S2 -","- C42 H48 Cu2 N10 O15 S2 -","- C168 H192 Cu8 N40 O60 S8 -","4","1","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0759","0.0447","","","0.1082","0.1212","","","","","","1.028","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021034","19.3126","0.0015","10.2713","0.0006","18.1414","0.0012","90","","112.052","0.008","90","","3335.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diiodidobis(triphenylphosphane-κ<i>P</i>)zinc(II)","","- C36 H30 I2 P2 Zn -","- C36 H30 I2 P2 Zn -","- C144 H120 I8 P8 Zn4 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0675","0.0402","","","0.0801","0.0883","","","","","","1.053","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021035","11.3104","0.0008","19.3208","0.0011","37.933","0.002","90","","90","","90","","8289.3","0.9","293","2","293","2","","","","","","","","5","F 2 d d","F -2d 2","43","","Diiodidobis[tris(4-methylphenyl)phosphane-κ<i>P</i>]zinc(II)","","- C42 H42 I2 P2 Zn -","- C42 H42 I2 P2 Zn -","- C336 H336 I16 P16 Zn8 -","8","0.5","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0764","0.0453","","","0.0945","0.105","","","","","","0.998","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021036","18.982","0.0009","15.9507","0.0006","24.9714","0.001","90","","90.352","0.004","90","","7560.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(diphenylphosphoryl)methane-κ^2^<i>O</i>,<i>O</i>']zinc(II) tetraiodidozinc(II)","","- C75 H66 I4 O6 P6 Zn2 -","- C75 H66 I4 O6 P6 Zn2 -","- C300 H264 I16 O24 P24 Zn8 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.1054","0.0507","","","0.0814","0.0964","","","","","","0.961","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021037","9.8015","0.0006","20.9572","0.0015","21.7012","0.0017","90","","90","","90","","4457.7","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C152 H104 N40 Ni4 O16 S4 -","4","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.1296","0.0738","","","0.174","0.2095","","","","","","0.984","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021038","28.596","0.002","28.596","0.002","13.5438","0.0009","90","","90","","90","","11075.2","1.3","294","2","294","2","","","","","","","","6","I -4","I -4","82","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C304 H208 N80 Ni8 O32 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2018","0.0777","","","0.1648","0.22","","","","","","0.894","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021039","13.406","0.005","24.365","0.005","28.114","0.005","90","","90","","90","","9183","4","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25)","","- C41 H41.5 N11 Ni O9.25 S -","- C41 H33 N11 Ni O9.25 S -","- C328 H264 N88 Ni8 O74 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2171","0.086","","","0.2284","0.334","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","206644","2020-10-21","18:00:00",""
"2021040","24.3852","0.0012","6.0502","0.0004","5.1","0.003","90","","90","","90","","752.4","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-Chloroisatoic anhydride","6-Chloro-2,4-dihydro-1<i>H</i>-3,1-benzoxazine-2,4-dione","","- C8 H4 Cl N O3 -","- C8 H4 Cl N O3 -","- C32 H16 Cl4 N4 O12 -","4","1","KU3216","Pogoda, Dorota; Matera-Witkiewicz, Agnieszka; Listowski, Marcin; Janczak, Jan; Videnova-Adrabinska, Veneta","The role of different nonspecific interactions and halogen contacts in the crystal structure organization of 5-chloroisatoic anhydride","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002280","","","0.71073","MoKα","","0.0379","0.032","","","0.0626","0.0651","","","","","","1","","","","has coordinates,has Fobs","206688","2020-10-21","18:00:00",""
"2021041","3.197","0.0005","3.197","0.0005","5.1943","0.001","90","","90","","120","","45.977","0.013","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","","Dimagnesium lithium aluminium carbide","","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","1","0.0833333","KU3217","Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy","New quaternary carbide Mg~1.52~Li~0.24~Al~0.24~C~0.86~ as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002851","","","0.71073","MoKα","","0.0365","0.0327","","","0.0762","0.0769","","","","","","1.37","","","","has coordinates,has Fobs","206689","2020-10-21","18:00:00",""
"2021042","6.9406","0.0002","8.5527","0.0003","12.7193","0.0006","108.581","0.004","90.93","0.003","92.396","0.003","714.7","0.05","288.2","0.3","288.2","0.3","","","","","","","","6","P -1","-P 1","2","","Poly[tetraoxido{μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ~3~-sulfato-diuranium(VI)]","","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","1","0.5","FP3045","Cui, Wen; Wang, Ruyu; Shu, Xi; Fan, Yu; Liu, Yang; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002279","","","1.54184","CuKα","","0.0476","0.0456","","","0.1093","0.1113","","","","","","1.063","","","","has coordinates,has Fobs","206690","2020-10-21","18:00:00",""
"2021043","9.3676","0.0007","17.6232","0.0014","11.3172","0.0009","90","","94.351","0.002","90","","1862.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~4~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraterbium(III)] pentahydrate]","","- C56 H78 N4 O37 Tb4 -","- C56 H60 N4 O32 Tb4 -","- C56 H60 N4 O32 Tb4 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0807","0.0597","","","0.146","0.1554","","","","","","1.011","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021044","9.4453","0.0005","17.7439","0.0014","11.3019","0.0008","90","","94.278","0.001","90","","1888.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~5~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] tetraahydrate]","","- C56 H76 Eu4 N4 O36 -","- C56 H60 Eu4 N4 O32 -","- C56 H60 Eu4 N4 O32 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0933","0.0715","","","0.1801","0.1955","","","","","","0.959","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021045","7.559","0.002","7.559","0.002","44.103","0.012","90","","90","","90","","2520","1.2","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Entecavir","2-Amino-9-[(1<i>S</i>,3<i>R</i>,4<i>S</i>)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6<i>H</i>-purin-6-one","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","1","SK3678","Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian","Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002528","","","0.71073","MoKα","","0.0734","0.0528","","","0.1299","0.1402","","","","","","1.085","","","","has coordinates,has Fobs","206692","2020-10-21","18:00:00",""
"2021046","11.4343","0.001","7.7435","0.0007","14.5125","0.0012","90","","108.109","0.002","90","","1221.31","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-(Pyrrolidine-1-carbonothioyl)picolinohydrazonamide","","- C11 H15 N5 S -","- C11 H15 N5 S -","- C44 H60 N20 S4 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.308","0.0305","","","0.082","0.0823","","","","","","1.035","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021047","7.2793","0.0009","19.962","0.002","7.4299","0.0009","90","","105.205","0.003","90","","1041.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[amino(pyridin-3-yl)methylidene]hydrazinecarbodithioate","","- C8 H10 N4 S2 -","- C8 H10 N4 S2 -","- C32 H40 N16 S8 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.0305","0.0305","","","0.0871","0.0871","","","","","","1.118","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021048","7.323","0.0002","8.5983","0.0002","10.0343","0.0002","79.167","0.002","71.019","0.002","84.08","0.002","586.21","0.03","100.01","0.1","100","10","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-Methyl 2-[amino(pyridin-2-yl)methylidene]-1-methylhydrazinecarbodithioate","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C18 H24 N8 S4 -","2","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54184","CuKα","","0.0353","0.035","","","0.0983","0.0985","","","","","","1.038","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021049","6.9312","0.0002","14.6542","0.0005","7.1239","0.0003","90","","114.011","0.001","90","","660.97","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[1-(Pyrazin-2-yl)ethylidene]hydrazine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","YO3048","Kassim, Muhammad Arif; Yassin, Ubaidullah H. M.; Tan, Ai Ling; Usman, Anwar; Hamid, Malai Haniti S. A.","[1-(Pyrazin-2-yl)ethylidene]hydrazine: a new multitopic ligand for the design of hybrid molecular frameworks","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003273","","","1.54178","CuKα","","0.0383","0.038","","","0.1023","0.1024","","","","","","1.073","","","","has coordinates,has Fobs","206836","2020-10-21","18:00:00",""
"2021050","10.7964","0.0005","10.9649","0.0006","14.3692","0.0007","96.412","0.002","110.682","0.002","92.9","0.002","1574.03","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>catena</i>-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)]","","- C32 H28 Co2 O18 -","- C32 H28 Co2 O18 -","- C64 H56 Co4 O36 -","2","1","EG3235","An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li","A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800325X","","","0.71073","MoKα","","0.0282","0.0263","","","0.0661","0.0678","","","","","","1.074","","","","has coordinates,has Fobs","206837","2020-10-21","18:00:00",""
"2021051","9.6552","0.0003","10.7203","0.0002","7.448","0.0002","90","","108.605","0.003","90","","730.63","0.04","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyridine‒urea (1/1)","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","1","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","1.54184","CuKα","","0.0358","0.0339","","","0.0865","0.0882","","","","","","1.065","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021052","22.115","0.001","8.4863","0.0004","34.1306","0.0017","90","","95.778","0.004","90","","6372.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridine‒thiourea (1/1)","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C192 H288 N96 S32 -","32","8","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","0.71073","MoKα","","0.0778","0.0539","","","0.101","0.1103","","","","","","1.085","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021053","9.67404","0.00018","10.9707","0.0002","13.5552","0.0003","90","","94.738","0.0007","90","","1433.71","0.05","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C68 H60 Cl4 N4 O4 -","2","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0504","0.042","","","0.1088","0.1245","","","","","","1.099","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021054","13.2054","0.0002","12.4456","0.0002","16.8489","0.0003","90","","90","","90","","2769.1","0.08","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-Bis(dibenzylamino)-3,6-dichloro-<i>p</i>-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C136 H120 Cl8 N8 O8 -","4","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-<i>p</i>-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0461","0.0394","","","0.1097","0.1151","","","","","","1.075","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021055","12.7576","0.0001","12.7576","0.0001","12.7576","0.0001","90","","90","","90","","2076.38","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dicadmium trivanadate","","- Ca2 Cd2 Na O12 V3 -","- Ca1.98 Cd2.063 Na1.02 O12 V3 -","- Ca15.84 Cd16.504 Na8.16 O96 V24 -","8","0.0833333","UK3150","Tokuda, Makoto; Yoshiasa, Akira; Mashimo, Tsutomu; Iishi, Kazuake; Nakatsuka, Akihiko","The vanadate garnet Ca~2~NaCd~2~V~3~O~12~: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003741","","","0.71073","MoKα","","0.0175","0.0163","","","0.0539","0.0546","","","","","","1.166","","","","has coordinates,has Fobs","206978","2020-10-21","18:00:00",""
"2021056","14.2967","0.0014","11.5113","0.0009","11.0913","0.0009","90","","105.465","0.01","90","","1759.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(2,4,8,10-Tetraoxa-3,9-diboraspiro[5.5]undecane-3,9-diyl)dibenzonitrile","","- C19 H16 B2 N2 O4 -","- C19 H16 B2 N2 O4 -","- C76 H64 B8 N8 O16 -","4","1","JX3008","Cárdenas-Valenzuela, A. Jaquelin; Baldenebro-López, Jesús; Guerrero-Álvarez, Jorge A.; Höpfl, Herbert; Glossman-Mitnik, Daniel; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003583","","","0.71073","MoKα","","0.08","0.0674","","","0.1382","0.1437","","","","","","1.174","","","","has coordinates,has Fobs","206979","2020-10-21","18:00:00",""
"2021057","11.5095","0.0004","12.0788","0.0005","9.5184","0.0004","90","","91.063","0.003","90","","1323.03","0.09","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diaqua{4-[(pyrimidin-2-ylazanidyl-κ<i>N</i>^1^)sulfonyl-κ<i>O</i>]aniline}lithium(I)","","- C10 H13 Li N4 O4 S -","- C10 H13 Li N4 O4 S -","- C40 H52 Li4 N16 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0274","0.0262","","","0.0643","0.0655","","","","","","1.036","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021058","5.901","0.0011","10.534","0.004","18.389","0.003","90","","94.216","0.015","90","","1140","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}sodium(I)]","","- C10 H9 N4 Na O2 S -","- C10 H9 N4 Na O2 S -","- C40 H36 N16 Na4 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0473","0.0376","","","0.0823","0.0883","","","","","","1.06","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021059","8.8503","0.0007","9.6385","0.0004","15.9734","0.0007","92.35","0.004","95.186","0.004","94.209","0.004","1351.79","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}potassium(I)]","","- C10 H13 K N4 O4 S -","- C10 H13 K N4 O4 S -","- C40 H52 K4 N16 O16 S4 -","4","2","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.5418","CuKα","","0.0858","0.0597","","","0.1421","0.1573","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021060","12.7688","0.0001","16.904","0.0001","15.7411","0.0001","90","","107.609","0.001","90","","3238.42","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium tetraaqua[7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonato]sodium(I) sesquihydrate","","- C26 H32 N6 Na O14.5 S3 -","- C26 H32 N6 Na O14.5 S3 -","- C104 H128 N24 Na4 O58 S12 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.54184","CuKα","","0.029","0.028","","","0.0738","0.0745","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021061","8.5796","0.0002","19.0371","0.0005","11.2512","0.0004","90","","121.116","0.003","90","","1573.27","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0618","0.0445","","","0.1031","0.1139","","","","","","1.04","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021062","12.7755","0.0004","9.8979","0.0004","11.5366","0.0004","90","","93.508","0.003","90","","1456.08","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanolaminium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline monohydrate","","- C12 H19 N5 O4 S -","- C12 H19 N5 O4 S -","- C48 H76 N20 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0484","0.0366","","","0.0875","0.0953","","","","","","1.058","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021063","15.0087","0.0016","13.8489","0.0013","19.52","0.002","90","","90","","90","","4057.3","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxybenzophenone","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.1027","0.0465","","","0.1038","0.1307","","","","","","1.005","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021064","7.7442","0.0003","11.773","0.0004","26.2562","0.0011","90","","90","","90","","2393.84","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Dimethylamino)benzophenone","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0436","0.0349","","","0.0782","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021065","9.4796","0.0014","9.4796","0.0014","11.164","0.003","90","","90","","120","","868.8","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","0.5","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0533","0.0428","","","0.1045","0.1126","","","","","","1.019","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021066","12.1952","0.001","7.8601","0.0007","12.0734","0.0012","90","","90","","90","","1157.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0501","0.0442","","","0.1246","0.1296","","","","","","1.08","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021067","25.369","0.003","6.031","0.0007","15.256","0.002","90","","97.788","0.004","90","","2312.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0707","0.0534","","","0.1498","0.1616","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021068","7.003","0.0003","28.2985","0.0015","11.507","0.0006","90","","106.08","0.005","90","","2191.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trimethoprimium 2,5-dichlorothiophene-3-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C19 H20 Cl2 N4 O5 S -","- C19 H20 Cl2 N4 O5 S -","- C76 H80 Cl8 N16 O20 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0716","0.0501","","","0.1179","0.133","","","","","","1.036","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021069","16.944","0.0008","6.8991","0.0003","19.7206","0.0014","90","","109.773","0.007","90","","2169.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-bromothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-bromothiophene-2-carboxylate monohydrate","","- C19 H23 Br N4 O6 S -","- C19 H23 Br N4 O6 S -","- C76 H92 Br4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0623","0.0419","","","0.0939","0.1042","","","","","","1.029","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021070","16.973","0.0005","6.8689","0.0001","19.6051","0.0005","90","","109.321","0.003","90","","2156.95","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-chlorothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-chlorothiophene-2-carboxylate monohydrate","","- C19 H23 Cl N4 O6 S -","- C19 H23 Cl N4 O6 S -","- C76 H92 Cl4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0565","0.0488","","","0.1368","0.1481","","","","","","1.046","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021071","6.9417","0.0003","9.8281","0.0006","16.2754","0.001","90.813","0.005","90.376","0.004","99.084","0.004","1096.29","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trimethoprimium 5-methylthiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 5-methylthiophene-2-carboxylate monohydrate","","- C20 H26 N4 O6 S -","- C20 H26 N4 O6 S -","- C40 H52 N8 O12 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0491","0.0408","","","0.1098","0.1181","","","","","","1.028","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021072","11.168","0.0005","16.1913","0.0005","16.2434","0.0005","106.203","0.003","101.386","0.003","90.029","0.003","2760.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprimium anthracene-9-carboxylate sesquihydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium anthracene-9-carboxylate sesquihydrate","","- C29 H31 N4 O6.5 -","- C29 H31 N4 O6.5 -","- C116 H124 N16 O26 -","4","2","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1053","0.0617","","","0.1574","0.1888","","","","","","1.019","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021073","9.3415","0.0005","10.2751","0.0006","11.373","0.0008","63.919","0.007","85.243","0.005","83.689","0.005","973.8","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pyrimethaminium 2,5-dichlorothiophene-3-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C17 H15 Cl3 N4 O2 S -","- C17 H15 Cl3 N4 O2 S -","- C34 H30 Cl6 N8 O4 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0756","0.0542","","","0.1423","0.1637","","","","","","1.019","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021074","17.0836","0.0006","15.8893","0.0003","16.4764","0.0005","90","","116.538","0.004","90","","4001.2","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Pyrimethaminium 5-bromothiophene-2-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 5-bromothiophene-2-carboxylate","","- C17 H16 Br Cl N4 O2 S -","- C17 H16 Br Cl N4 O2 S -","- C136 H128 Br8 Cl8 N32 O16 S8 -","8","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0613","0.0529","","","0.15","0.1603","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021075","9.5195","0.0005","15.7842","0.0011","18.8336","0.0008","90","","92.293","0.004","90","","2827.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pyrimethaminium anthracene-9-carboxylate ethanol monosolvate monohydrate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium anthracene-9-carboxylate methanol monosolvate monohydrate","","- C29 H31 Cl N4 O4 -","- C29 H31 Cl N4 O4 -","- C116 H124 Cl4 N16 O16 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1221","0.0581","","","0.1381","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021076","10.7421","0.0003","11.7053","0.0004","24.5947","0.0008","85.45","0.003","87.699","0.003","63.459","0.003","2757.86","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(pyrimethaminium) naphthalene-1,5-disulfonate","Bis[2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium] naphthalene-1,5-disulfonate","","- C34 H34 Cl2 N8 O6 S2 -","- C34 H34 Cl2 N8 O6 S2 -","- C102 H102 Cl6 N24 O18 S6 -","3","1.5","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0704","0.0469","","","0.1103","0.1261","","","","","","1.031","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021077","12.9627","0.0003","9.6666","0.0002","16.6887","0.0004","90","","105.217","0.0011","90","","2017.86","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Heptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-3,5,7,11,13,15,17(22),18,20,23(28),24,26-dodecaene-1,9-carbaldehyde","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","YP3151","Zarei, Seyed Amir; Akhtari, Keivan; Piltan, Mohammad; Kamel, Shaaban M.; Mague, Joel T.","The [4+4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003534","","","1.54178","CuKα","","0.0825","0.0712","","","0.1852","0.1969","","","","","","1.057","","","","has coordinates,has Fobs","207091","2020-10-21","18:00:00",""
"2021078","35.549","0.004","21.056","0.002","36.869","0.004","90","","115.485","0.002","90","","24912","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C251.4 H217.15 Cl0.2 F6 Fe6 N11.65 O22 -","- C251.382 H217.125 Cl0.2 F6.0002 Fe6 N11.6486 O22.0002 -","- C1005.53 H868.5 Cl0.8 F24.0008 Fe24 N46.5944 O88.0008 -","4","1","","Becker, Sabine","The crystal structure of [Fe2(PIMIC6)(AnthCO2)(CH3CN)]·[Fe2(PIMIC6)(AnthCO2)(CH3CN)0.9(CH2Cl2)0.1]·[Fe2(PIMIC6)(AnthCO2)(OH2)]·0.75CH3CN: a crystallographer's nightmare or a fascinating case of disorder?","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","2","","","10.1107/S2052520618000689","","","0.71073","MoKα","","0.1298","0.0741","","","0.1815","0.2283","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","207155","2020-10-21","18:00:00",""
"2021079","10.6773","0.0015","13.0608","0.0017","16.356","0.002","71.118","0.004","87.07","0.004","80.73","0.004","2130","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[(5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ<i>O</i>)aquacobalt(II)]-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']] 4.75-hydrate]","","- C36 H41.5 Br3 Co N9 O9.75 -","- C36 H41.5 Br3 Co N9 O9.75 -","- C72 H83 Br6 Co2 N18 O19.5 -","2","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.0593","0.0393","","","0.104","0.1133","","","","","","1.042","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021080","10.1342","0.0014","17.938","0.002","28.071","0.004","90","","90","","90","","5103","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ-5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>:<i>N</i>']cobalt(II)]","","- C22 H16 Br3 Co N5 O4 -","- C22 H16 Br3 Co N5 O4 -","- C176 H128 Br24 Co8 N40 O32 -","8","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.077","0.0346","","","0.0574","0.066","","","","","","0.999","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021081","10.001","0.008","20.82","0.02","15.124","0.007","90","","96.12","0.05","90","","3131","4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-phenyl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C17 H14 F3 N3 -","- C17 H14 F3 N3 -","- C136 H112 F24 N24 -","8","2","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1218","0.0526","","","0.0956","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021082","9.5097","0.0013","17.921","0.002","20.011","0.003","90","","90","","90","","3410.3","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C144 H128 F24 N24 O8 -","8","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0644","0.0372","","","0.0964","0.1135","","","","","","1.016","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021083","15.1368","0.0016","7.7224","0.0009","15.4446","0.0018","90","","112.454","0.002","90","","1668.5","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C72 H64 F12 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0828","0.0379","","","0.0954","0.1136","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021084","8.829","0.002","9.513","0.002","11.598","0.003","106.105","0.004","95.554","0.004","110.049","0.004","859.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C36 H32 F6 N6 O2 -","2","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1075","0.0531","","","0.1263","0.1525","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021085","11.9633","0.0008","7.8453","0.0005","20.0446","0.0014","90","","95.191","0.001","90","","1873.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[2,4-Bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C18 H10 F9 N3 O -","- C18 H10 F9 N3 O -","- C72 H40 F36 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0763","0.0365","","","0.0893","0.1071","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021086","30.656","0.002","8.3363","0.0006","7.6723","0.0006","90","","94.627","0.001","90","","1954.3","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1<i>H</i>-1,2,3-triazole","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0996","0.0424","","","0.1086","0.1328","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021087","12.267","0.002","8.4334","0.0014","15.686","0.003","90","","93.904","0.003","90","","1619","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1<i>H</i>-1,2,3-triazol-1-yl]phenol","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C68 H56 F12 N12 O12 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1<i>H</i>-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1731","0.0565","","","0.134","0.1894","","","","","","0.972","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021088","8.3422","0.0004","16.45","0.0008","11.8773","0.0005","90","","93.108","0.002","90","","1627.51","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2,2'-(1,2-phenylene)bis(4-carboxy-1<i>H</i>-imidazole-5-carboxylato)-κ^6^<i>O</i>^4^,<i>N</i>^3^,<i>N</i>^3'^,<i>O</i>^4'^:<i>O</i>^5^:<i>O</i>^5'^:]manganese(II)]","","- C16 H8 Mn N4 O8 -","- C16 H8 Mn N4 O8 -","- C64 H32 Mn4 N16 O32 -","4","1","","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia","A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","5","599","603","10.1107/S2053229618005508","","","0.71073","MoKα","","0.0396","0.0314","","","0.0801","0.0843","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","207527","2020-10-21","18:00:00",""
"2021089","11.8203","0.0001","9.1276","0.0001","21.1575","0.0001","90","","100.468","0.001","90","","2244.71","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^<i>N</i>,<i>N</i>')(carbamoylcyanonitrosomethanide-\ κ^2^<i>N</i>,<i>O</i>)chloridocopper(II) acetonitrile monosolvate","","- C23 H17 Cl N6 O2 -","- C23 H17 Cl Cu N6 O2 -","- C92 H68 Cl4 Cu4 N24 O8 -","4","1","SK3686","Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal","A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed <i>in situ</i> by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties","Acta Crystallographica Section C","2018","74","5","584","589","10.1107/S2053229618005697","","","1.54184","CuKα","","0.0259","0.0237","","","0.0641","0.0656","","","","","","1.051","","","","has coordinates,has Fobs","207528","2020-10-21","18:00:00",""
"2021090","19.0566","0.0008","15.5255","0.001","24.0975","0.0014","90","","90","","90","","7129.6","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-chlorido-[triphenyllead(IV)]-μ-dimethylarsinato-κ^2^<i>O</i>:<i>O</i>']","","- C38 H36 As Cl O2 Pb2 -","- C38 H36 As Cl O2 Pb2 -","- C304 H288 As8 Cl8 O16 Pb16 -","8","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0635","0.0398","","","0.0741","0.079","","","","","","1.048","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021091","7.3822","0.0003","19.95","0.0007","10.2878","0.0004","90","","99.763","0.003","90","","1493.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[chlorido(μ~3~-dimethylarsinato-κ^3^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>')diphenyllead(IV)]","","- C14 H16 As Cl O2 Pb -","- C14 H16 As Cl O2 Pb -","- C56 H64 As4 Cl4 O8 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0478","0.032","","","0.0646","0.0665","","","","","","0.959","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021092","13.8277","0.0008","12.6242","0.0006","14.4713","0.0008","90","","97.717","0.005","90","","2503.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[triphenyllead(IV)]-μ-diphenylphosphinato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H25 O2 P Pb -","- C30 H25 O2 P Pb -","- C120 H100 O8 P4 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0773","0.045","","","0.0954","0.1005","","","","","","0.91","","","","has coordinates,has disorder","207529","2020-10-21","18:00:00",""
"2021093","6.4641","0.0002","11.6518","0.0004","25.4249","0.0009","90","","90","","90","","1914.96","0.11","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,4 b<i>R</i>,7<i>R</i>,10<i>aS</i>)-4 b,7-Dihydroxy-7-isopropyl-1,1-dimethyl-9-oxododecahydrobenzo[<i>a</i>]azulene-4a(2<i>H</i>)-carboxylic acid","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","LG3224","Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie","Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system","Acta Crystallographica Section C","2018","74","5","635","640","10.1107/S2053229618005740","","","1.54178","CuKα","","0.0279","0.0277","","","0.0738","0.0739","","","","","","1.052","","","","has coordinates,has Fobs","207530","2020-10-21","18:00:00",""
"2021094","9.7608","0.0003","10.6134","0.0003","11.2721","0.0003","77.398","0.002","75.589","0.002","87.635","0.002","1103.64","0.06","120","0.1","120","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>S</i>)-(-)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.05","0.0472","","","0.1182","0.1205","","","","","","1.71","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021095","9.7524","0.0002","10.6117","0.0002","11.251","0.0002","77.3381","0.0015","75.6221","0.0016","87.7313","0.0016","1100.33","0.04","95","0.1","95","","","","","","","","","6","P 1","P 1","1","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.0404","0.0394","","","0.097","0.098","","","","","","1.5","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021096","37.656","0.008","7.031","0.002","21.959","0.004","90","","120.9","0.03","90","","4989","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Pentasodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) tetracosahydrate","","- C52 H119 N20 Na5 O60 P8 -","- C52 H75 N20 Na5 O59.4124 P8 -","- C104 H150 N40 Na10 O118.825 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1409","0.0816","","","0.1821","0.1993","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021097","39.474","0.009","6.964","0.002","18.656","0.005","90","","115.18","0.03","90","","4641","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Sodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) pentadecahydrate","","- C52 H105 N20 Na O51 P8 -","- C52 H79 N20 Na O51 P8 -","- C104 H158 N40 Na2 O102 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1339","0.1022","","","0.271","0.3093","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021098","10.515","0.002","11.955","0.002","7.064","0.002","90","","96.62","0.02","90","","882.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(adeninium) hypodiphosphorate dihydrate","","- C10 H18 N10 O8 P2 -","- C10 H18 N10 O8 P2 -","- C20 H36 N20 O16 P4 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","0.71073","MoKα","","0.0552","0.049","","","0.1316","0.1384","","","","","","1.05","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021099","12.888","0.005","11.093","0.004","11.487","0.004","90","","101.44","0.03","90","","1609.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(adeninium) hypodiphosphorate","","- C10 H14 N10 O6 P2 -","- C10 H14 N10 O6 P2 -","- C40 H56 N40 O24 P8 -","4","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.055","0.0524","","","0.1446","0.1481","","","","","","1.132","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021100","6.2115","0.0019","3.715","0.0011","7.172","0.002","90","","90","","90","","165.5","0.08","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel arsenide","","- As Nb0.92 Ni -","- As Nb0.916 Ni -","- As4 Nb3.664 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0225","0.0194","","","0.0369","0.0378","","","","","","0.9","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021101","6.2656","0.0015","3.7273","0.0009","7.1589","0.0017","90","","90","","90","","167.19","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium cobalt arsenide","","- As Co Nb -","- As Co Nb -","- As4 Co4 Nb4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0215","0.0209","","","0.0509","0.0513","","","","","","1.051","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021102","6.2989","0.0008","3.7613","0.0004","7.2033","0.0008","90","","90","","90","","170.66","0.03","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel germanide","","- Ge Nb Ni -","- Ge Nb Ni -","- Ge4 Nb4 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0251","0.0234","","","0.0581","0.0588","","","","","","1.331","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021103","16.847","0.003","15.6786","0.0018","21.787","0.002","90","","106.954","0.004","90","","5504.7","1.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Magnesium bis(4-methyl-2,6-di(tert-butyl)phenoxide) bis(tetrahydrofuranate)","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)magnesium","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C228 H372 Mg6 O24 -","6","3","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0783","0.0473","","","0.1059","0.1216","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021104","27.7603","0.0018","9.0454","0.0006","18.4921","0.0013","90","","118.401","0.002","90","","4084.5","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-<i>tert</i>-butyl-4-methylphenolato-κ<i>O</i>)bis(μ~2~-ethyl glycolato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>)dimethyldialuminium","","- C40 H66 Al2 O8 -","- C40 H66 Al2 O8 -","- C160 H264 Al8 O32 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0678","0.0431","","","0.0974","0.1092","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021105","13.9163","0.0005","20.4248","0.0007","23.0316","0.0008","90","","90","","90","","6546.4","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Octakis(μ~3~-benzyloxo-κ<i>O</i>:κ<i>O</i>:κ<i>O</i>)hexaethylheptazinc","","- C68 H86 O8 Zn7 -","- C68 H86 O8 Zn7 -","- C272 H344 O32 Zn28 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0334","0.0239","","","0.0517","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021106","7.053","0.003","11.864","0.005","11.785","0.006","90","","90","","90","","986.1","0.8","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","Rubidium copper trichloride","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","1","KU3218","Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo","ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity","Acta Crystallographica Section C","2018","74","5","529","533","10.1107/S2053229618004539","","","0.71073","MoKα","","0.037","0.0277","","","0.0416","0.0439","","","","","","1.02","","","","has coordinates,has Fobs","207537","2020-10-21","18:00:00",""
"2021107","9.7361","0.0004","13.7118","0.0005","16.1437","0.0007","90","","92.249","0.003","90","","2153.52","0.15","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0744","0.0447","","","0.1004","0.1146","","","","","","1.022","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021108","8.807","0.0006","14.9505","0.0008","16.6376","0.001","90","","95.903","0.004","90","","2179","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0412","0.0366","","","0.0942","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021109","9.6871","0.0013","9.6871","","6.4528","0.0008","90","","90","","120","","524.4","0.1","200","2","200","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Trilanthanum titanium pentabismuthide","","- Bi5 La3 Ti -","- Bi5 La3 Ti -","- Bi10 La6 Ti2 -","2","0.0833333","KU3221","Ovchinnikov, Alexander; Bobev, Svilen","Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction","Acta Crystallographica Section C","2018","74","5","618","622","10.1107/S205322961800565X","","","0.71073","MoKα","","0.0209","0.0185","","","0.0359","0.0365","","","","","","1.077","","","","has coordinates,has Fobs","207539","2020-10-21","18:00:00",""
"2021110","23.511","0.0008","10.6098","0.0004","33.8618","0.0011","90","","92.1502","0.0007","90","","8440.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)lanthanum methanol monosolvate","","- C78 H126 La O18 P3 -","- C78 H126 La O18 P3 -","- C312 H504 La4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0689","0.0415","","","0.081","0.0904","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021111","23.578","0.002","10.6366","0.001","33.808","0.003","90","","92.022","0.002","90","","8473.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)cerium methanol monosolvate","","- C78 H126 Ce O18 P3 -","- C78 H126 Ce O18 P3 -","- C312 H504 Ce4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0587","0.0387","","","0.0833","0.0909","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021112","23.5159","0.0008","10.6376","0.0004","33.6934","0.0012","90","","92.038","0.001","90","","8423.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)neodymium methanol monosolvate","","- C78 H126 Nd O18 P3 -","- C78 H126 Nd O18 P3 -","- C312 H504 Nd4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0772","0.0473","","","0.0945","0.1056","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021113","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0399","0.0397","","","0.1107","0.111","","","","","","1.102","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021114","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0464","0.0461","","","0.1336","0.1343","","","","","","1.699","","","","has coordinates","207541","2020-10-21","18:00:00",""
"2021115","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0319","0.0316","","","0.0876","0.0878","","","","","","1.1","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021116","8.425","0.001","8.425","0.001","54.749","0.011","90","","90","","120","","3365.5","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","rubidium iron bis(hydrogen arsenate)","Rubidium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Rb -","- As2 Fe H2 O8 Rb -","- As36 Fe18 H36 O144 Rb18 -","18","0.5","PJ2051","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0246","0.0206","","","0.0506","0.0519","","","","","","1.115","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021117","7.346","0.002","9.148","0.002","9.662","0.002","64.89","0.03","70.51","0.03","69.94","0.03","538.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","thallium iron bis(hydrogen arsenate)","Thallium iron bis[hydrogen arsenate(V)]","","- As2 Fe H2 O8 Tl -","- As2 Fe H2 O8 Tl0.999867 -","- As6 Fe3 H6 O24 Tl2.9996 -","3","1.5","","Schwendtner, Karolina; Kolitsch, Uwe","RbFe(HAsO4)2 and TlFe(HAsO4)2, two new hydrogenarsenates adopting two closely related structure types","Acta Crystallographica Section E Crystallographic Communications","2018","74","6","766","","10.1107/S2056989018006473","","","0.71073","MoKα","","0.0293","0.0224","","","0.0487","0.0508","","","","","","1.058","","","","has coordinates,has Fobs","207602","2020-10-21","18:00:00",""
"2021118","9.05","0.005","10.006","0.005","11.082","0.005","69.207","0.005","79.497","0.005","82.267","0.005","919.8","0.8","293","","293","2","","","","","","","","5","P -1","-P 1","2","","Diethylammonium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","","- C18 H20 B N O6 -","- C18 H20 B N O6 -","- C36 H40 B2 N2 O12 -","2","1","WQ3141","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.0867","0.0432","","","0.0912","0.1087","","","","","","1.009","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021119","11.529","0.005","8.885","0.005","17.216","0.005","90","","108.308","0.005","90","","1674.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propylammonium bis(2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)borate","","- C17 H18 B N O6 -","- C17 H18 B N O6 -","- C68 H72 B4 N4 O24 -","4","1","","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.059","0.0497","","","0.1409","0.1535","","","","","","1.086","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021120","5.8043","0.0016","31.562","0.009","7.898","0.002","90","","95.86","0.006","90","","1439.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-({2-[6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazin-1-ylidene}methyl)phenol","","- C14 H14 N8 O -","- C14 H14 N8 O -","- C56 H56 N32 O4 -","4","1","QS3070","Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia","Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006617","","","0.71073","MoKα","","0.0961","0.0585","","","0.1544","0.1787","","","","","","1.05","","","","has coordinates,has Fobs","207687","2020-10-21","18:00:00",""
"2021121","10.2225","0.0016","9.6736","0.0016","10.2678","0.0017","90","","112.165","0.008","90","","940.3","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Carboxymethyl-3-ethylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C28 H44 Cl4 N8 O8 -","4","1","KU3219","Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena","Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S2053229618005272","","","0.71073","MoKα","","0.0427","0.0361","","","0.1007","0.1057","","","","","","1.096","","","","has coordinates,has Fobs","207688","2020-10-21","18:00:00",""
"2021122","13.4219","0.0004","8.3679","0.0003","18.5974","0.0007","90","","98.348","0.003","90","","2066.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(4-fluorobenzylidene)-1-methylpiperidin-4-one","","- C24 H26 F N O -","- C24 H26 F N O -","- C96 H104 F4 N4 O4 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0716","0.0564","","","0.1358","0.1531","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021123","19.1378","0.0009","16.2788","0.0008","7.5525","0.0004","90","","98.386","0.005","90","","2327.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5<i>E</i>)-3-(4-<i>tert</i>-Butylbenzylidene)-5-(3,5-dimethoxybenzylidene)-1-methylpiperidin-4-one","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0623","0.0486","","","0.128","0.1423","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021124","7.0689","0.0005","8.2072","0.0005","20.1397","0.0016","94.401","0.006","97.829","0.006","106.575","0.006","1101.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(5<i>E</i>)-3-{3-[(<i>E</i>)-(2,3-Dihydroxybenzylidene)amino]benzylidene}-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one","","- C27 H23 F N2 O3 -","- C27 H23 F N2 O3 -","- C54 H46 F2 N4 O6 -","2","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0702","0.0487","","","0.1258","0.1488","","","","","","1.026","","","","has coordinates,has Fobs","207689","2020-10-21","18:00:00",""
"2021125","27.4921","0.0013","16.9467","0.0008","30.909","0.0015","90","","106.801","0.001","90","","13785.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquapentakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dilanthanum hexane disolvate","","- C132 H203 La2 O23 P5 -","- C132 H203 La2 O23 P5 -","- C528 H812 La8 O92 P20 -","4","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.0832","0.0526","","","0.132","0.1509","","","","","","1.032","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021126","15.094","0.007","17.491","0.008","27.444","0.013","102.142","0.007","95.211","0.007","90.412","0.007","7052","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquatetrakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dineodymium bis(2,6-diisopropylphenyl) phosphate heptane disolvate","","- C134 H211 Nd2 O25 P5 -","- C134 H211 Nd2 O25 P5 -","- C268 H422 Nd4 O50 P10 -","2","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.048","0.0365","","","0.0944","0.1015","","","","","","1.018","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021127","12.3225","0.0009","14.5183","0.0008","13.8141","0.0008","90","","98.361","0.002","90","","2445.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Cl F N3 O5 -","- C23 H31 Cl F N3 O5 -","- C92 H124 Cl4 F4 N12 O20 -","4","1","","Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong","A new polymorph of the gastrokinetic drug cisapride monohydrate","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006836","","","0.71073","MoKα","","0.1243","0.0746","","","0.1647","0.1981","","","","","","1.049","","","","has coordinates,has disorder","207902","2020-10-21","18:00:00",""
"2021128","10.801","0.005","17.301","0.008","11.777","0.007","90","","104.28","0.02","90","","2132.7","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>N</i>^4^-{2-[(4-methylbenzylidene)amino]phenyl}-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C21 H24 N6 O3 S -","- C21 H24 N6 O3 S -","- C84 H96 N24 O12 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.0721","0.0434","","","0.0885","0.0988","","","","","","1.044","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021129","10.8498","0.0011","17.2238","0.0015","11.3806","0.0011","90","","115.351","0.003","90","","1921.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>^4^-{2-[(Ethoxymethylidene)amino]phenyl}-6-methoxy-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C16 H22 N6 O4 S -","- C16 H22 N6 O4 S -","- C64 H88 N24 O16 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1<i>H</i>-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.052","0.0372","","","0.0815","0.0884","","","","","","1.045","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021130","6.7095","0.0003","13.7764","0.0006","30.7205","0.0015","90","","90","","90","","2839.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Theophylline‒3,4-dihydroxybenzoic acid (1/1)","1,3-Dimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione‒\ 3,4-dihydroxybenzoic acid (1/1)","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","RH3004","Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas","Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006861","","","0.71073","MoKα","","0.1007","0.0478","","","0.1007","0.1229","","","","","","0.999","","","","has coordinates,has Fobs","207943","2020-10-21","18:00:00",""
"2021131","9.842","0.006","9.309","0.006","12.538","0.008","90","","93.45","0.009","90","","1146.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[piperazinediium [tri-μ-iodido-sodium]]","","- C4 H12 I3 N2 Na -","- C4 H12 I3 N2 Na -","- C16 H48 I12 N8 Na4 -","4","0.5","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.062","0.0575","","","0.1613","0.1652","","","","","","1.031","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021132","12.186","0.002","22.828","0.005","12.214","0.002","90","","111.89","0.03","90","","3152.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[tris(piperazinediium) [μ-iodido-triiodidosodium] triiodide monohydrate]","","- C12 H38 I7 N6 Na O -","- C12 H38 I7 N6 Na O -","- C48 H152 I28 N24 Na4 O4 -","4","1","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.1521","0.0854","","","0.1213","0.1416","","","","","","1.094","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021133","9.5552","0.0004","10.3175","0.0005","11.9645","0.0006","91.085","0.004","110.515","0.004","93.998","0.003","1100.85","0.09","99.97","0.11","99.97","0.11","","","","","","","","4","P 1","P 1","1","11-Azaartemisinin‒<i>trans</i>-cinnamic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2<i>E</i>)-3-Phenylprop-2-enoic acid (1/1)","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C48 H62 N2 O12 -","2","2","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0354","0.0315","","","0.0745","0.0769","","","","","","1.001","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021134","9.62162","0.00012","10.40235","0.00011","19.6935","0.0002","90","","90","","90","","1971.07","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (1/1)","","- C19 H27 N O8 -","- C19 H27 N O8 -","- C76 H108 N4 O32 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0224","0.022","","","0.0554","0.0557","","","","","","1.006","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021135","9.7885","0.0001","9.9965","0.0001","33.7661","0.0004","90","","90","","90","","3304.04","0.06","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (2/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (2/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C136 H200 N8 O48 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54178","CuKα","","0.0307","0.0296","","","0.0743","0.0749","","","","","","1.016","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021136","9.57929","0.00011","10.05214","0.00016","17.7765","0.0002","90","","96.4731","0.0011","90","","1700.83","0.04","99.96","0.13","99.96","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","11-Azaartemisinin‒fumaric acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2<i>E</i>)-but-2-enedioic acid (1/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C68 H100 N4 O24 -","2","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0259","0.0254","","","0.0654","0.0657","","","","","","1.018","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021137","23.849","0.005","11.679","0.002","18.319","0.004","90","","95.28","0.03","90","","5080.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)bis(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)[μ~4~-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]cobalt(III)]‒ethanol‒water 1/7/5]","","- C96 H156 Co2 N4 O21 -","- C86 H116 Co2 N4 O11 -","- C172 H232 Co4 N8 O22 -","2","0.5","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","synchrotron","","0.1036","0.0805","","","0.2154","0.2306","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021138","10.072","0.002","16.135","0.003","18.192","0.004","75.34","0.03","83.15","0.03","78.7","0.03","2797.1","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1245","0.0938","","","0.2554","0.2759","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021139","10.066","0.002","16.124","0.003","18.205","0.004","75.36","0.03","83.11","0.03","78.68","0.03","2795.5","1.1","275","","275","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1229","0.0865","","","0.2452","0.2685","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021140","10.168","0.002","16.321","0.003","18.515","0.004","75.33","0.03","82.77","0.03","78.77","0.03","2906","1.1","315","","315","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[(3,5-di-<i>tert</i>-butylbenzene-1,2-diolato)(1,5-di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H76 Co N4 O9 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.152","0.0998","","","0.2861","0.3297","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021141","9.1557","0.0011","23.753","0.003","10.379","0.0013","90","","115.261","0.004","90","","2041.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-pentahydrogen [1,1'-biphenyl]-3,3',5,5'-tetrayltetrakis(phosphonato)]erbium(III)] 2.5-hydrate]","","- C12 H16 Er O14.5 P4 -","- C24 H22 Er2 O29 P8 -","- C48 H44 Er4 O58 P16 -","2","0.5","LG3220","Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A.","Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007374","","","0.71073","MoKα","","0.1043","0.069","","","0.1073","0.1157","","","","","","1.241","","","","has coordinates,has Fobs","208051","2020-10-21","18:00:00",""
"2021142","12.6071","0.0018","14.764","0.002","18.585","0.003","84.507","0.002","88.508","0.002","84.033","0.002","3424.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(18-Crown-6)bis(tetrahydrofuran-κ<i>O</i>)sodium bis(η^6^-1,1,2,2-tetraphenylethenediyl)scandium(III) tetrahydrofuran disolvate","","- C80 H96 Na O10 Sc -","- C80 H96 Na O10 Sc -","- C160 H192 Na2 O20 Sc2 -","2","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.156","0.0738","","","0.1565","0.1834","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021143","7.3278","0.0005","5.944","0.0004","26.6551","0.0018","90","","94.352","0.001","90","","1157.65","0.14","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-Diphenylcyclopenta-1,3-diene","","- C17 H14 -","- C17 H14 -","- C68 H56 -","4","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0503","0.0444","","","0.1211","0.1279","","","","","","1.031","","","","has coordinates,has Fobs","208075","2020-10-21","18:00:00",""
"2021144","36.06","0.005","9.5557","0.0014","23.662","0.003","90","","113.84","0.002","90","","7457.7","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(η^5^-1,3-Diphenylcyclopentadienyl)(tetrahydrofuran-κ<i>O</i>)(η^6^-\ 1,1,2,2-tetraphenylethenediyl)scandium(III) toluene hemisolvate","","- C50.5 H45 O Sc -","- C50.5 H45 O Sc -","- C404 H360 O8 Sc8 -","8","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.084","0.0576","","","0.1457","0.1591","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021145","18.1056","0.0012","19.9164","0.0013","21.8633","0.0014","90","","90","","90","","7883.9","0.9","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","Poly[[(μ~2~-η^3^:η^2^-anthracenediyl)bis(η^6^-anthracenediyl)bis(η^5^-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate]","","- C96 H96 K2 O5 Sc2 -","- C96 H96 K2 O5 Sc2 -","- C384 H384 K8 O20 Sc8 -","4","0.25","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0863","0.055","","","0.1331","0.1503","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021146","11.4603","0.0012","11.6052","0.0013","16.3587","0.0018","92.862","0.002","105.149","0.002","97.497","0.002","2074.1","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","octaazacyclodecane","7,7,18,18-Tetraacetyl-4,10,15,21-tetraphenyl-1,2,4,6,8,10,12,13,15,17,19,21-dodecaazapentacyclo[17.3.0.02,6.08,12.013,17]docosan-3,5,9,11,14,16,20,22-octone","","- C42 H32 N12 O12 -","- C42 H32 N12 O12 -","- C84 H64 N24 O24 -","2","1","FN3261","Breton, Gary W.; Martin, Kenneth L.","Unanticipated formation of a novel octaazacyclodecane ring upon oxidation of a 1,1-bis-urazole","Acta Crystallographica Section C","2018","74","5","558","563","10.1107/S2053229618005211","","","0.71073","MoKα","","0.0752","0.0548","","","0.1269","0.1435","","","","","","1.029","","","","has coordinates,has Fobs","208094","2020-10-21","18:00:00",""
"2021147","26.571","0.003","6.9074","0.0008","13.5152","0.0016","90","","90","","90","","2480.5","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Emoxypinium maleate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxyprop-2-enoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0444","0.0366","","","0.0947","0.101","","","","","","1.036","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021148","8.9211","0.0007","10.5301","0.0008","13.7175","0.001","80.0535","0.0011","86.3313","0.0011","66.5117","0.001","1164.07","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium malonate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","2","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0545","0.0385","","","0.1","0.1079","","","","","","1.027","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021149","8.7831","0.0017","8.9442","0.0017","9.6114","0.0018","77.301","0.003","76.142","0.003","85.677","0.003","714.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium adipate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 6-carboxyhexanoate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.05","0.0406","","","0.1069","0.114","","","","","","1.054","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021150","7.2911","0.0003","8.1724","0.0003","12.5766","0.0005","89.109","0.0013","74.2345","0.0013","87.4815","0.0013","720.49","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(cytosine)diiodidocadmium(II)","Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)diiodidocadmium(II)","","- C8 H10 Cd I2 N6 O2 -","- C8 H10 Cd I2 N6 O2 -","- C16 H20 Cd2 I4 N12 O4 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0266","0.0213","","","0.0412","0.043","","","","","","1.126","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021151","12.9213","0.0005","8.5142","0.0003","13.6486","0.0006","90","","104.259","0.001","90","","1455.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(cytosine)bis(nitrato)cadmium(II),","Bis(4-amino-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)","","- C8 H10 Cd N8 O8 -","- C8 H10 Cd N8 O8 -","- C32 H40 Cd4 N32 O32 -","4","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0354","0.0256","","","0.0474","0.0505","","","","","","1.093","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021152","8.0586","0.0004","10.1383","0.0004","10.1842","0.0004","89.6438","0.0013","68.0189","0.0012","67.7878","0.0012","705.39","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(6-Amino-5-fluorocytosine)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","(6-Amino-5-fluoro-1,2-dihydropyrimidin-2-one-κ<i>N</i>^3^)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","","- C8 H10 Br2 F2 N6 O3 Zn -","- C8 H10 Br2 F2 N6 O3 Zn -","- C16 H20 Br4 F4 N12 O6 Zn2 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","1.54178","CuKα","","0.0199","0.0198","","","0.0491","0.0492","","","","","","1.187","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021153","15.5215","0.0013","4.1954","0.0004","20.4883","0.0016","90","","93.139","0.006","90","","1332.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Chlorophenyl)-5-formyl-4-methylsulfanyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C56 H36 Cl4 N8 O8 S4 -","4","1","FN3255","Joy, Monu; Anabha, E. R.; Gopi, Subash P.; Mathew, Bijo; Kumar S, Ajeesh; Mathews, Annie","Structural and optical profile of a multifunctionalized 2-pyridone derivative in a crystal engineering perspective","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007490","","","0.71073","MoKα","","0.1343","0.0701","","","0.1138","0.1345","","","","","","1.058","","","","has coordinates,has Fobs","208129","2020-10-21","18:00:00",""
"2021154","8.5101","0.0005","15.023","0.001","15.821","0.001","68.242","0.003","80.424","0.005","89.491","0.005","1849.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cinnamaide derivatives","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(2-Hydroxybutyl)-3-phenylprop-2-enamide‒water (3/1)","","- C13 H17.66667 N O2.33333 -","- C13 H17.6667 N O2.33333 -","- C78 H106 N6 O14 -","6","3","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0893","0.0585","","","0.1246","0.1404","","","","","","1.066","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021155","5.992","0.0001","14.451","0.0004","14.346","0.0003","90","","104.178","0.002","90","","1204.39","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(2<i>E</i>)-<i>N</i>-(1-Hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0578","0.0443","","","0.1108","0.1209","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021156","10.6921","0.0002","21.1761","0.0004","11.8518","0.0002","90","","94.198","0.002","90","","2676.25","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(<i>R</i>,<i>S</i>)-(2<i>E</i>)-<i>N</i>-(1-Hydroxy-3-methyl-butan-2-yl)-3-phenylprop-2-enamide","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","1.54184","CuKα","","0.0588","0.0451","","","0.1176","0.1297","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021157","23.7755","0.0016","8.3718","0.0005","16.3235","0.0012","90","","124.106","0.003","90","","2690.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Formylphenyl 4-methylbenzenesulfonate","","- C14 H12 O4 S -","- C14 H12 O4 S -","- C112 H96 O32 S8 -","8","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0511","0.0385","","","0.1023","0.1118","","","","","","1.038","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021158","13.7066","0.0008","12.9371","0.0008","7.431","0.0004","90","","91.565","0.003","90","","1317.2","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0669","0.0427","","","0.1027","0.1161","","","","","","1.028","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021159","7.8282","0.0005","8.5963","0.0006","10.1139","0.0006","91.249","0.003","102.818","0.002","95.938","0.003","659.38","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0459","0.0314","","","0.0745","0.0803","","","","","","1.019","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021160","10.467","0.0005","11.9547","0.0005","10.6575","0.0004","90","","98.045","0.001","90","","1320.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0522","0.038","","","0.0991","0.1072","","","","","","1.045","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021161","6.8248","0.0003","7.2849","0.0004","15.1587","0.0009","79.746","0.003","83.57","0.002","65.091","0.002","672.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.068","0.0321","","","0.0733","0.0834","","","","","","1.007","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021162","12.251","0.006","14.971","0.008","10.868","0.006","90","","95.289","0.009","90","","1984.8","1.8","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Xanthenedione","9-(3-Hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.118","","","","","","1.044","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021163","20.6531","0.0014","9.5629","0.0007","22.4489","0.0016","90","","90","","90","","4433.7","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Xanthenedione","9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C192 H216 Br8 O32 -","8","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.1421","0.0572","","","","0.13","","","","","","0.994","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021164","9.2893","0.0011","10.0558","0.0012","22.911","0.003","83.057","0.002","85.272","0.002","64.888","0.002","1922.5","0.4","290","2","290","2","","","","","","","","4","P -1","-P 1","2","Xanthenedione","3,3,6,6-Tetramethyl-9-(pyridin-2-yl)-3,4,6,7-tetrahydro-2<i>H</i>-xanthene-1,8(5<i>H</i>,9<i>H</i>)-dione","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.0969","0.0767","","","0.2145","0.2229","","","","","","1.095","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021165","9.1241","0.0004","20.098","0.0009","10.7456","0.0005","90","","110.224","0.002","90","","1849","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 F I N2 O4 -","- C19 H16 F I N2 O4 -","- C76 H64 F4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0234","0.0198","","","0.0454","0.0468","","","","","","1.055","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021166","11.703","0.002","22.037","0.004","7.4073","0.0012","90","","92.888","0.008","90","","1907.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 Cl I N2 O4 -","- C19 H16 Cl I N2 O4 -","- C76 H64 Cl4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0274","0.0213","","","0.0486","0.0514","","","","","","1.039","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021167","8.837","0.001","20.056","0.001","11.015","0.001","90","","110.18","0.01","90","","1832.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-iodophenyl acetate","","- C19 H17 I N2 O4 -","- C19 H17 I N2 O4 -","- C76 H68 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and <i>in vitro</i> cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0266","0.0217","","","0.0484","0.05","","","","","","1.045","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021168","11.5982","0.0003","8.8651","0.0002","15.2964","0.0003","90","","103.581","0.002","90","","1528.79","0.06","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C15 H24 N O4 -","- C15 H24 N O4 -","- C60 H96 N4 O16 -","4","1","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.047","0.0402","","","0.1075","0.1145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208530","2020-10-21","18:00:00",""
"2021169","11.1942","0.0001","8.6142","0.0001","31.6661","0.0002","90","","93.082","0.001","90","","3049.12","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis{(<i>S</i>)-(+)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C30 H48 N2 O8 -","- C30 H48 N2 O8 -","- C120 H192 N8 O32 -","4","2","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.0323","0.0317","","","0.0818","0.0826","","","","","","1.026","","","","has coordinates,has Fobs","208530","2020-10-21","18:00:00",""
"2021170","7.5508","0.0001","23.0248","0.0002","15.8985","0.0001","90","","102.081","0.001","90","","2702.83","0.05","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^6^-<i>p</i>-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0342","0.0261","","","0.0565","0.0628","","","","","","1.077","","","","has coordinates,has Fobs","208802","2020-10-21","18:00:00",""
"2021171","11.4706","0.0003","16.97","0.0004","13.9242","0.0004","90","","99.55","0.002","90","","2672.87","0.12","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(η^6^-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an <i>N</i>,<i>N</i>'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0273","0.0229","","","0.0551","0.0584","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","208802","2020-10-21","18:00:00",""
"2021172","6.6712","0.0003","11.9999","0.0005","22.2073","0.0008","90","","90","","90","","1777.78","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,20-Epoxy-3α,16-dihydroxy-15-oxo-7-pimaren-19,6β-olide","13-Hydroxy-5-(2-hydroxyacetyl)-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1^{1,9}.0^{2,7}.0^{12,18}^]octadec-7-en-11-one","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","0.71073","MoKα","","0.0805","0.0611","","","","0.1643","","","","","","1.039","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021173","11.7555","0.0014","20.224","0.002","8.0385","0.0011","90","","90","","90","","1911.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","3β,6β,16-Trihydroxy-7-pimaren-19,20β-olide monohydrate","5-(1,2-Dihydroxyethyl]-9,17-dihydroxy-5,11-dimethyl-13-\ oxatetracyclo[9.3.3.0^1,10^.0^2,7^]heptadec-7-en-12-one monohydrate","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","1.54178","CuKα","","0.0648","0.0455","","","0.1222","0.1369","","","","","","1.052","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021174","10.392","0.002","12.459","0.003","15.726","0.003","90","","94.25","0.03","90","","2030.5","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[4,4'-(buta-1,3-diene-1,4-diyl)dipyridin-1-ium [(μ~4~-benzene-1,2,4,5-tetracarboxylato-κ^6^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^5^)cadmium(II)]]","","- C24 H16 Cd N2 O8 -","- C24 H16 Cd N2 O8 -","- C96 H64 Cd4 N8 O32 -","4","0.5","SK3694","Zhou, Qian-Kun; Wang, Lin; Liu, Dong","Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009233","","","0.71073","MoKα","","0.0196","0.0184","","","0.051","0.0518","","","","","","1.076","","","","has coordinates,has Fobs","208904","2020-10-21","18:00:00",""
"2021175","9.1432","0.0018","10.439","0.002","10.872","0.002","73.04","0.03","83.23","0.03","78.38","0.03","970.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)cadmium(II)]","","- C21 H17 Cd N3 O4 -","- C21 H17 Cd N3 O4 -","- C42 H34 Cd2 N6 O8 -","2","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0237","0.02","","","0.0454","0.0468","","","","","","1.092","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021176","12.387","0.003","14.684","0.003","20.016","0.004","90","","90","","90","","3640.7","1.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-<i>trans</i>-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^5^)cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C160 H120 Cd8 N24 O40 -","8","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0235","0.0201","","","0.0513","0.0536","","","","","","1.137","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021177","7.545","0.0015","23.19","0.005","8.337","0.0017","90","","103.32","0.03","90","","1419.5","0.5","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,14-Dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate","","- C20 H52 Cl4 N4 O4 -","- C20 H52 Cl4 N4 O4 -","- C40 H104 Cl8 N8 O8 -","2","0.5","SJ5559","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data","Acta Crystallographica Section E Crystallographic Communications","2018","74","8","1039","","10.1107/S2056989018009337","","","0.63","synchrotron","","0.048","0.0462","","","0.1397","0.1413","","","","","","1.139","","","","has coordinates,has Fobs","208940","2020-10-21","18:00:00",""
"2021178","12.3957","0.0008","4.9381","0.0002","14.2102","0.0012","90","","94.871","0.006","90","","866.68","0.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.43 Cl0.57 O2 -","- C9 H7 Br0.425 Cl0.575 O2 -","- C36 H28 Br1.7 Cl2.3 O8 -","4","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0479","0.0367","","","0.0899","0.0972","","","","","","0.996","","","","has coordinates","209026","2020-10-21","18:00:00",""
"2021179","19.054","0.005","3.9451","0.0007","24.661","0.005","90","","111.81","0.03","90","","1721.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.49 Cl0.51 O2 -","- C9 H7 Br0.494 Cl0.506 O2 -","- C72 H56 Br3.952 Cl4.048 O16 -","8","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-<i>trans</i>-cinnamic acid and its solid solution with 3-bromo-<i>trans</i>-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0763","0.0494","","","0.1308","0.1516","","","","","","1.031","","","","has coordinates,has Fobs","209026","2020-10-21","18:00:00",""
"2021180","16.4417","0.0007","5.1623","0.0002","23.7712","0.0009","90","","107.43","0.004","90","","1924.99","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl (<i>S</i>)-<i>P</i>-(4-oxo-4<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)-<i>N</i>-[(<i>R</i>)-1-phenylethyl]phosphonamidate","","- C20 H20 N3 O3 P S -","- C20 H20 N3 O3 P S -","- C80 H80 N12 O12 P4 S4 -","4","2","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0598","0.0558","","","0.1459","0.1496","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021181","9.6275","0.0004","10.0903","0.0005","11.8585","0.0006","65.779","0.005","67.462","0.005","74.329","0.004","961.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diethyl (4-isopropyl-2-oxo-3,4-dihydro-2<i>H</i>-benzo[4,5]thiazolo[3,2-<i>a</i>]pyrimidin-3-yl)phosphonate","","- C18 H25 N2 O4 P S -","- C18 H25 N2 O4 P S -","- C36 H50 N4 O8 P2 S2 -","2","1","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0568","0.0554","","","0.1628","0.1647","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021182","9.3311","0.0004","13.2097","0.0005","19.9741","0.0009","90","","93.275","0.005","90","","2458.01","0.18","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tris(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]-μ-oxido-[tetrafluoridoniobium(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 Nb O -","- C18 H30 Cu F5 N6 Nb O -","- C72 H120 Cu4 F20 N24 Nb4 O4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0512","0.0246","","","0.0461","0.0477","","","","","","0.81","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021183","9.3367","0.0003","13.1541","0.0006","20.0036","0.0005","90","","93.232","0.003","90","","2452.85","0.15","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tris(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II)]-μ-oxido-[tetrafluoridotantalum(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 O Ta -","- C18 H30 Cu F5 N6 O Ta -","- C72 H120 Cu4 F20 N24 O4 Ta4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [<i>M</i>OF~5~]^2{-^} (<i>M</i> = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1<i>H</i>-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0359","0.0237","","","0.0512","0.0522","","","","","","0.838","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021184","7.337","0.002","10.991","0.003","27.078","0.008","98.241","0.009","91.151","0.01","91.244","0.009","2159.9","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","Gefitinib methanol hemisolvate","<i>N</i>-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine methanol hemisolvate","","- C45.042 H52.17 Cl2 F2 N8 O7 -","- C22.5212 H26.0849 Cl F N4 O3.5 -","- C90.0849 H104.34 Cl4 F4 N16 O14 -","4","2","LF3076","Angira, Deekshi; Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Exploring a solvated dimer of Gefitinib: a quantitative analysis","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009671","","","0.71073","MoKα","","0.0827","0.0539","","","0.125","0.1397","","","","","","1.0669","","","","has coordinates,has disorder,has Fobs","209161","2020-10-21","18:00:00",""
"2021185","6.9809","0.0007","6.9809","0.0007","12.027","0.0009","90","","90","","120","","507.59","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Caesium manganese hexahydrate phosphate","Caesium manganese hexahydrate phosphate","","- Cs H12 Mn O10 P -","- Cs H12 Mn O10 P -","- Cs2 H24 Mn2 O20 P2 -","2","0.166667","FN3263","Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.","A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009798","","","0.71073","MoKα","","0.0378","0.0328","","","0.0639","0.0656","","","","","","1.157","","","","has coordinates,has Fobs","209162","2020-10-21","18:00:00",""
"2021186","7.9226","0.0009","19.1965","0.0018","17.2011","0.0016","90","","102.46","0.003","90","","2554.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κ<i>O</i>)cadmium(II)]-μ-3,3'-(diazene-1,2-diyl)dipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^] dihydrate]","","- C18 H20 Br3 Cd N5 O9 -","- C18 H20 Br3 Cd N5 O9 -","- C72 H80 Br12 Cd4 N20 O36 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0418","0.0277","","","0.0556","0.0597","","","","","","1.038","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021187","17.7463","0.0013","8.6866","0.0007","21.9891","0.0013","90","","116.41","0.004","90","","3036","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[tetraaquacadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^<i>N</i>^1^:<i>N</i>^1'^-[diaquabis(5-amino-2,4,6-tribromoisophthalato-κ<i>O</i>)cadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^<i>N</i>^1^:<i>N</i>^1'^] octahydrate]","","- C21 H30 Br3 Cd N5 O12 -","- C21 H30 Br3 Cd N5 O12 -","- C84 H120 Br12 Cd4 N20 O48 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0439","0.0301","","","0.0733","0.0785","","","","","","1.039","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021188","11.2716","0.0005","26.9672","0.0011","11.3809","0.0005","90","","109.986","0.001","90","","3251","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[aqua[μ~3~-4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylato-κ^5^<i>O</i>^1^<i>O</i>^1'^:<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^5^][μ~4~-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^7^<i>N</i>^3^,<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^]cadmium(II)] monohydrate]","","- C31 H32 Cd2 N4 O12 -","- C31 H32 Cd2 N4 O12 -","- C124 H128 Cd8 N16 O48 -","4","1","KY3143","Li, Fenfang; Zhu, Miaoli; Lu, Liping","A two-dimensional cadmium(II) coordination polymer constructed from 4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-5-carboxylate and 1-(4-carboxylatobenzyl)-2-propyl-1<i>H</i>-imidazole-4-carboxylate ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010239","","","0.71073","MoKα","","0.0587","0.0495","","","0.1024","0.106","","","","","","1.174","","","","has coordinates,has Fobs","209234","2020-10-21","18:00:00",""
"2021189","21.3218","0.0016","8.6006","0.0006","25.2773","0.0019","90","","112.768","0.002","90","","4274.2","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-<i>a</i>]quinoline]-10a,10a'-diium diiodide hemihydrate","","- C22 H17 I2 N2 O0.5 S2 -","- C22 H17 I2 N2 O0.5 S2 -","- C176 H136 I16 N16 O4 S16 -","8","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0671","0.0435","","","0.1047","0.116","","","","","","1.021","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021190","8.409","0.0004","11.1793","0.0005","15.0322","0.0007","100.233","0.001","105.798","0.001","100.372","0.001","1298.61","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-<i>a</i>]quinoline]-10a,10a'-diium iodide triiodide","","- C22 H16 I4 N2 S2 -","- C22 H16 I4 N2 S2 -","- C44 H32 I8 N4 S4 -","2","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0779","0.0479","","","0.1194","0.1353","","","","","","0.999","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021191","6.7891","0.0001","16.7667","0.0002","11.7793","0.0001","90","","90.752","0.001","90","","1340.73","0.03","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]]","","- C8 H11 K O11 S Zn -","- C8 H11 K O11 S Zn -","- C32 H44 K4 O44 S4 Zn4 -","4","1","OV3111","Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata","Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010264","","","0.7107","MoKα","","0.0313","0.0269","","0.0664","","0.0645","","","1.03","","","1.03","","","","has coordinates,has Fobs","209288","2020-10-21","18:00:00",""
"2021192","7.5583","0.0007","12.7016","0.0011","15.7903","0.0014","90","","90","","90","","1515.9","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Furan-2,5-dicarboxylic acid dimethylformamide disolvate","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0427","0.0301","","","0.0621","0.0665","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021193","6.3129","0.0008","6.9099","0.0009","13.0901","0.0017","80.5164","0.0017","77.3664","0.0017","63.826","0.0016","498.53","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H10 O6 S -","- C8 H10 O6 S -","- C16 H20 O12 S2 -","2","1","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0267","0.0244","","","0.0506","0.0513","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021194","8.4954","0.0003","8.679","0.0003","10.7105","0.0004","100.366","0.003","100.314","0.003","90.093","0.003","763.79","0.05","100.2","0.8","100.2","0.8","","","","","","","","6","P 1","P 1","1","<i>N</i>-[Diethoxy(sulfanylidene)-λ^5^-phosphanyl]-2,4,6-trimethylaniline","<i>O</i>,<i>O</i>'-Diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate","","- C13 H22 N O2 P S -","- C13 H22 N O2 P S -","- C26 H44 N2 O4 P2 S2 -","2","2","KY3141","Torabi Farkhani, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel V.; Shchegravina, Ekaterina S.","Evaluation of N—H···S and N—H···π interactions in <i>O</i>,<i>O</i>'-diethyl <i>N</i>-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies","Acta Crystallographica Section C","2018","74","7","847","855","10.1107/S2053229618007933","","","0.71073","MoKα","","0.0373","0.0358","","","0.0879","0.0887","","","","","","1.08","","","","has coordinates,has Fobs","209380","2020-10-21","18:00:00",""
"2021195","7.2479","0.0005","8.1177","0.0005","16.9716","0.0012","81.374","0.003","86.946","0.004","81.339","0.003","975.51","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchlorido[1-(4-fluorocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I)","","- C20 H12 Cl F N3 O4 Re -","- C20 H12 Cl F N3 O4 Re -","- C40 H24 Cl2 F2 N6 O8 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.0553","0.0476","","","0.1259","0.1295","","","","","","1.137","","","","has coordinates,has Fobs","209414","2020-10-21","18:00:00",""
"2021196","7.9828","0.0003","12.0719","0.0004","14.456","0.0005","104.093","0.002","99.708","0.002","104.184","0.002","1270.78","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κ<i>N</i>)pyrazole-κ<i>N</i>^2^]rhenium(I) acetone monosolvate","","- C23 H18 Cl N4 O7 Re -","- C23 H18 Cl N4 O7 Re -","- C46 H36 Cl2 N8 O14 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity <i>via</i> the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.1024","0.0582","","","0.1277","0.1541","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","209414","2020-10-21","18:00:00",""
"2021197","7.5237","0.0004","7.5739","0.0004","12.5089","0.0007","79.629","0.002","79.596","0.002","75.895","0.002","673","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-bromothiophene-2-carboxylic acid (1/1)","","- C11 H11 Br Cl N3 O2 S -","- C11 H11 Br Cl N3 O2 S -","- C22 H22 Br2 Cl2 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0425","0.0336","","","0.0661","0.0695","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021198","7.2182","0.0003","7.6364","0.0003","12.7516","0.0006","90.707","0.002","102.629","0.002","105.338","0.002","659.61","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-chlorothiophene-2-carboxylic acid (1/1)","","- C11 H11 Cl2 N3 O2 S -","- C11 H11 Cl2 N3 O2 S -","- C22 H22 Cl4 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0635","0.0506","","","0.1292","0.1379","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021199","7.3015","0.0004","7.506","0.0006","14.9665","0.0008","92.539","0.005","98.522","0.005","113.657","0.007","738.12","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine—2,4-dichlorobenzoic acid (1/1)","","- C13 H12 Cl3 N3 O2 -","- C13 H12 Cl3 N3 O2 -","- C26 H24 Cl6 N6 O4 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0575","0.0465","","","0.123","0.1351","","","","","","1.05","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021200","8.0965","0.0002","7.2427","0.0003","24.0738","0.0009","90","","90.831","0.003","90","","1411.55","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0472","0.0388","","","0.1027","0.1096","","","","","","1.051","","","","has coordinates","209667","2020-10-21","18:00:00",""
"2021201","8.273","0.003","12.746","0.004","13.32","0.004","90","","102.39","0.005","90","","1371.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-methylthiophene-2-carboxylic acid (1/1)","","- C12 H14 Cl N3 O2 S -","- C12 H14 Cl N3 O2 S -","- C48 H56 Cl4 N12 O8 S4 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0368","0.0336","","","0.0895","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021202","10.1421","0.0005","10.4218","0.0005","13.2681","0.0006","90","","107.804","0.005","90","","1335.26","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒benzoic acid (1/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0432","0.0409","","","0.1147","0.1179","","","","","","1.039","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021203","7.3992","0.0002","13.9842","0.0004","26.9897","0.0008","90","","90","","90","","2792.68","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","2","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0377","0.0343","","","0.0884","0.0913","","","","","","1.044","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021204","8.4524","0.0001","13.5387","0.0002","24.9813","0.0003","90","","90","","90","","2858.72","0.06","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0375","0.0367","","","0.1016","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021205","8.0223","0.0005","13.6901","0.001","13.3346","0.001","90","","101.557","0.007","90","","1434.8","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C56 H64 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0593","0.0472","","","0.1256","0.14","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021206","7.8899","0.0002","13.2361","0.0003","13.3212","0.0003","90","","101.254","0.002","90","","1364.4","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0368","0.0362","","","0.0968","0.0974","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021207","8.944","0.002","10.797","0.003","20.52","0.005","90","","90","","90","","1981.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Diformylruthenocene","","- C12 H10 O2 Ru -","- C12 H10 O2 Ru -","- C96 H80 O16 Ru8 -","8","2","ZP2025","Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René","X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene","Acta Crystallographica Section E Crystallographic Communications","2018","74","9","1186","","10.1107/S2056989018010642","","","0.71073","MoKα","","0.0668","0.0528","","","0.1111","0.1233","","","","","","1.025","","","","has coordinates,has Fobs","209711","2020-10-21","18:00:00",""
"2021208","18.889","0.018","20.431","0.017","13.36","0.012","90","","110.73","0.03","90","","4822","8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~6~-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4^:<i>O</i>^4'^]bis(1,10-phenanthroline-κ^2^<i>N</i>^,<i>N</i>')tricobalt(II)] 0.72-hydrate]","","- C54 H31.42 Co3 N4 O14.71 -","- C54 H31.444 Co3 N4 O14.722 -","- C216 H125.776 Co12 N16 O58.888 -","4","0.5","KY3146","Li, Shao-Dong; Lu, Li-Ping; Zhu, Miao-Li","A thermally stable three-dimensional cobalt(II) coordination polymer based on the V-shaped ligand 4-(4-carboxyphenoxy)isophthalate","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011567","","","0.71073","MoKα","","0.0674","0.052","","","0.1471","0.1576","","","","","","1.062","","","","has coordinates,has Fobs","210054","2020-10-21","18:00:00",""
"2021209","9.2201","0.0004","9.3675","0.0003","24.2874","0.0009","96.303","0.002","97.731","0.002","97.049","0.002","2045.83","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate dihydrate","","- C38 H66 N2 O7 S -","- C38 H66 N2 O7 S -","- C76 H132 N4 O14 S2 -","2","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0636","0.0497","","","0.1523","0.166","","","","","","1.099","","","","has coordinates,has Fobs","210055","2020-10-21","18:00:00",""
"2021210","25.184","0.002","11.2494","0.0009","15.9615","0.0011","90","","93.796","0.002","90","","4512.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate bis(boric acid)","","- C38 H70 B2 N2 O12 S -","- C38 H70 B2 N2 O12 S -","- C152 H280 B8 N8 O48 S4 -","4","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0898","0.0498","","","0.1196","0.1444","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","210055","2020-10-21","18:00:00",""
"2021211","6.7032","0.0004","8.1646","0.0005","15.1177","0.0009","81.099","0.002","79.555","0.002","67.488","0.002","748.34","0.08","120","2","120","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>^1^,<i>N</i>^4^-Bis(2-nitrophenyl)butane-1,4-diamine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C32 H36 N8 O8 -","2","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.0471","0.0432","","","0.1329","0.1376","","","","","","1.101","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021212","7.5749","0.0002","13.4138","0.0004","46.3793","0.0014","90","","90","","90","","4712.5","0.2","120","2","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>^1^-(2-Nitrophenyl)-<i>N</i>^2^,<i>N</i>^2^-bis[2-[(2-nitroanilino)ethyl]ethane-1,2-diamine","","- C24 H27 N7 O6 -","- C24 H27 N7 O6 -","- C192 H216 N56 O48 -","8","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.033","0.0314","","","0.078","0.0791","","","","","","1.063","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021213","9.0062","0.0005","9.0062","0.0005","23.1525","0.0012","90","","90","","120","","1626.34","0.15","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","Tridecasodium distrontium ditantalum nonaphosphate","","- Na13 O36 P9 Sr2 Ta2 -","- Na13 O36 P9 Sr2 Ta2 -","- Na26 O72 P18 Sr4 Ta4 -","2","0.166667","KY3148","Zhao, Ji; Zhao, Dan; Xue, Ya-Li; Zhong, Qiu; Zhang, Shi-Rui; Liu, Bao-Zhong","Novel tantalum phosphate Na~13~Sr~2~Ta~2~(PO~4~)~9~: synthesis, crystal structure, DFT calculations and Dy^3+^-activated fluorescence performance","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011877","","","0.71073","MoKα","","0.0208","0.0185","","","0.0416","0.0424","","","","","","1.064","","","","has coordinates,has Fobs","210220","2020-10-21","18:00:00",""
"2021214","11.16","0.002","12.917","0.003","18.551","0.006","90","","119.79","0.02","90","","2320.8","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,6-bis(pyridin-3-yl)-1,3,5-hexatriene-κ^2^<i>N</i>:<i>N</i>'](μ~3~-naphthalene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)zinc(II)]","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","YP3161","Zhou, Qian-Kun; Wang, Lin; Xu, Yun; Li, Ni-Ya","Construction and photoluminescence properties of a three-dimensional Zn^II^ coordination network based on naphthalene-1,4-dicarboxylic acid and 1,6-bis(pyridin-3-yl)-1,3,5-hexatriene","Acta Crystallographica Section C","2018","74","9","1053","1057","10.1107/S2053229618012068","","","0.71073","MoKα","","0.1231","0.0578","","","0.0968","0.119","","","","","","1.025","","","","has coordinates,has Fobs","210288","2020-10-21","18:00:00",""
"2021215","6.9584","0.0002","6.9584","0.0002","18.8979","0.0006","90","","90","","90","","915.02","0.05","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","<i>trans</i>-Cyclohexane-1,4-dicarboxamide","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","LY3070","García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A.","Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of <i>trans</i>-cyclohexane-1,4-dicarboxamide","Acta Crystallographica Section C","2018","74","10","1068","1078","10.1107/S2053229618011750","","","1.54184","CuKα","","0.0469","0.0442","","","","0.1295","","","","","","1.068","","","","has coordinates,has Fobs","211781","2020-10-21","18:00:00",""
"2021216","14.1301","0.0002","15.4385","0.0002","23.1563","0.0004","90","","98.9698","0.0015","90","","4989.71","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 As2 Mo6 N5 O30 -","- C30 H49 As2 Mo6 N5 O30 -","- C120 H196 As8 Mo24 N20 O120 -","4","1","QP3014","Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor","The new heteropolyoxometalate compound (C~6~H~8~N)~5~[HAs~2~Mo~6~O~26~(H~2~O)]·3H~2~O: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2018","74","10","1088","1093","10.1107/S2053229618012317","","","0.56087","AgKα","","0.0741","0.0435","","","0.0716","0.0795","","","","","","1.032","","","","has coordinates,has Fobs","211782","2020-10-21","18:00:00",""
"2021217","20.344","0.002","9.6384","0.0009","9.443","0.001","90","","101.06","0.003","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-(3,4-Dimethylisoxazol-5-yl)-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide","","- C18 H17 N3 O4 S -","- C18 H17 N3 O4 S -","- C72 H68 N12 O16 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.1088","0.056","","","0.1128","0.1354","","","","","","1.073","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021218","13.6043","0.0011","12.2399","0.0007","12.9506","0.0009","90","","103.854","0.002","90","","2093.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[(5-Bromo-2-hydroxy-3-methoxybenzylidene)amino]-<i>N</i>-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide","","- C19 H18 Br N3 O5 S -","- C19 H18 Br N3 O5 S -","- C76 H72 Br4 N12 O20 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0888","0.0466","","","0.1051","0.1234","","","","","","1.016","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021219","13.297","0.002","15.095","0.003","6.4166","0.0013","90","","91.329","0.006","90","","1287.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-2-[(2-hydroxyphenylimino)methyl]-6-methoxyphenol","","- C14 H12 Br N O3 -","- C14 H12 Br N O3 -","- C56 H48 Br4 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0904","0.0394","","","0.0859","0.1023","","","","","","1.008","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021220","6.4158","0.0003","7.3886","0.0004","15.2636","0.0007","87.081","0.003","87.488","0.003","77.948","0.003","706.28","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-4-Bromo-2-methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0663","0.0325","","","0.0622","0.0717","","","","","","1.021","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021221","23.689","0.002","7.6951","0.0007","7.3488","0.0007","90","","90","","90","","1339.6","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2-Methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0593","0.037","","","0.0749","0.0841","","","","","","1.048","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021222","9.5004","0.0008","14.2911","0.0011","13.6497","0.0009","90","","97.524","0.002","90","","1837.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzoyl-2-[(5-fluoro-2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0943","0.0427","","","0.093","0.119","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021223","9.26395","0.00015","14.2886","0.0002","13.6476","0.0002","90","","96.7581","0.0015","90","","1793.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Benzoyl-2-[(2-hydroxybenzylidene)amino)]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","1.54184","CuKα","","0.0458","0.0419","","","0.1151","0.1202","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021224","9.0479","0.0007","10.1564","0.0008","12.3659","0.001","69.677","0.006","89.94","0.006","77.004","0.006","1034.62","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-[(2-Hydroxyphenylimino)methyl]phenol","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0614","0.0413","","","0.1012","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021225","7.3066","0.0006","11.5182","0.0009","20.2701","0.0017","90","","93.673","0.002","90","","1702.4","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]propanedioate","","- C18 H23 F O5 -","- C18 H23 F O5 -","- C72 H92 F4 O20 -","4","1","YK2116","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl]malonate","Acta Crystallographica Section E","2018","74","10","1388","1391","10.1107/S2056989018012094","","","0.71073","MoKα","","0.0706","0.0422","","","0.091","0.1043","","","","","","1.025","","","","has coordinates,has Fobs","211792","2020-10-21","18:00:00",""
"2021226","6.934","0.0009","15.213","0.002","9.6882","0.0013","90","","105.496","0.005","90","","984.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[[diaquacadmium(II)]-μ~3~-2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylato)]","","- C8 H7 Cd N2 O6 -","- C8 H7 Cd N2 O6 -","- C32 H28 Cd4 N8 O24 -","4","1","OV3115","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Zhang, Jun-Di; Yang, Huai-Xia","A new one-dimensional Cd^II^ coordination polymer incorporating 2,2'-(1,2-phenylene)bis(1<i>H</i>-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","10","1128","1132","10.1107/S2053229618012603","","","0.71073","MoKα","","0.0306","0.0272","","","0.0786","0.0804","","","","","","1.092","","","","has coordinates,has Fobs","211783","2020-10-21","18:00:00",""
"2021227","9.446","0.0019","14.885","0.003","15.91","0.003","104.676","0.005","106.554","0.005","104.43","0.006","1945.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>fac</i>-Hexacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>-(pyridine-1κ<i>N</i>)[μ-2,2'-sulfanediyldi(ethanethiolato)-κ^5^1κ^2^<i>S</i>^1^,<i>S</i>^3^:2κ^3^<i>S</i>^1^,<i>S</i>^2^,<i>S</i>^3^]dirhenium(I)","","- C15 H13 N O6 Re2 S3 -","- C15 H13 N O6 Re2 S3 -","- C60 H52 N4 O24 Re8 S12 -","4","2","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71069","MoKα","","0.0378","0.0308","","","0.0842","0.0908","","","","","","1.027","","","","has coordinates,has Fobs","211784","2020-10-21","18:00:00",""
"2021228","12.712","0.0005","17.105","0.0006","18.144","0.001","90","","91.47","0.002","90","","3943.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetraethylammonium <i>fac</i>-tris(μ-2-methoxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonylrhenium(I)]","","- C35 H41 N O9 Re2 S3 -","- C35 H41 N O9 Re2 S3 -","- C140 H164 N4 O36 Re8 S12 -","4","1","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71073","MoKα","","0.0435","0.0328","","","0.0634","0.0682","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","211784","2020-10-21","18:00:00",""
"2021229","8.0705","0.0018","12.588","0.003","19.096","0.004","79.209","0.005","86.351","0.005","73.384","0.005","1826","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')lanthanum","","- C42 H36 La N3 O6 -","- C42 H36 La N3 O6 -","- C84 H72 La2 N6 O12 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0787","0.0465","","","0.0829","0.0935","","","","","","0.964","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021230","11.1951","0.0006","14.8767","0.0008","15.1894","0.0008","69.758","0.001","74.797","0.001","69.502","0.001","2194.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^)neodymium tetrahydrofuran disolvate","","- C50 H52 N3 Nd O8 -","- C50 H52 N3 Nd O8 -","- C100 H104 N6 Nd2 O16 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0331","0.0269","","","0.0617","0.0638","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021231","12.1048","0.001","17.5475","0.0014","18.7959","0.0015","114.881","0.001","91.885","0.002","99.171","0.001","3553.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^2^<i>N</i>,<i>O</i>^1^-yttrium","","- C42 H36 N3 O6 Y -","- C42 H36 N3 O6 Y -","- C168 H144 N12 O24 Y4 -","4","2","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0995","0.0602","","","0.1351","0.1497","","","","","","1.046","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021232","18.7839","0.0014","13.3371","0.0009","20.1422","0.0014","90","","107.107","0.001","90","","4822.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-μ-methanolato-1:2κ^2^<i>O</i>:<i>O</i>-methanol-2κ<i>O</i>-(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^-diyttrium‒tetrahydrofuran‒methanol (1/1/1)","","- C49 H55 Cl2 N3 O10 Y2 -","- C49 H55 Cl2 N3 O10 Y2 -","- C196 H220 Cl8 N12 O40 Y8 -","4","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0974","0.0435","","","0.0895","0.1077","","","","","","1","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021233","14.542","0.003","15.366","0.003","15.487","0.003","108.34","0.03","106.19","0.03","108.77","0.03","2818.3","1.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato-2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^)sodiumyttrium chloroform disolvate","","- C58 H50 Cl6 N4 Na O8 Y -","- C58 H50 Cl6 N4 Na O8 Y -","- C116 H100 Cl12 N8 Na2 O16 Y2 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0819","0.0614","","","0.1615","0.1746","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021234","7.844","0.005","20.558","0.013","17.168","0.012","90","","90.93","0.02","90","","2768","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~2~-biphenyl-4,4'-diyldicarboxylato-κ^2^<i>O</i>^4^:<i>O</i>^4'^){μ~2~-bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}cobalt(II)]","","- C34 H26 Co N4 O5 -","- C34 H26 Co N4 O5 -","- C136 H104 Co4 N16 O20 -","4","1","QS3075","Chen, Ning-Ning; Ni, Jian-Ling; Wang, Jun","A new two-dimensional Co^II^ coordination polymer based on bis[4-(2-methyl-1<i>H</i>-imidazol-1-yl)phenyl] ether and biphenyl-4,4'-diyldicarboxylic acid: synthesis, crystal structure and photocatalytic degradation activity","Acta Crystallographica Section C","2018","74","10","1123","1127","10.1107/S2053229618012433","","","0.71073","MoKα","","0.0509","0.0384","","","0.0921","0.098","","","","","","1.072","","","","has coordinates,has Fobs","211791","2020-10-21","18:00:00",""
"2021235","12.8902","0.0008","21.9049","0.0013","8.8786","0.0005","90","","109.699","0.003","90","","2360.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-pbc)(HCOO)]~<i>n</i>~","Poly[(μ~2~-formato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)[μ~2~-4-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']zinc(II)]","","- C13 H9 N O4 Zn -","- C13 H9 N O4 Zn -","- C104 H72 N8 O32 Zn8 -","8","2","SK3707","Luo, Fuming; Tang, Guodong; Zhang, Jinfang","A new Zn^II^ coordination polymer based on 4-(pyridin-4-yl)benzoic and formic acids: <i>in-situ</i> synthesis, crystal structure and luminescence properties","Acta Crystallographica Section C","2018","74","10","1133","1137","10.1107/S205322961801269X","","","0.71073","MoKα","","0.052","0.0327","","","0.0839","0.0942","","","","","","1.062","","","","has coordinates,has Fobs","211789","2020-10-21","18:00:00",""
"2021236","5.5965","0.0008","10.7222","0.0017","15.71","0.003","90","","98.796","0.009","90","","931.6","0.3","299","1","299","1","","","","","","","","6","P 1 21 1","P 2yb","4","Disodium guanosine 5'-monophosphate tetrahydrate","","","- C10 H20 N5 Na2 O12 P -","- C10 H19 N5 Na2 O12 P -","- C20 H38 N10 Na4 O24 P2 -","2","1","UK3159","Tsubonoya, Masaaki; Murofushi, Akitaka; Yamamura, Shigefumi; Sugawara, Yoko","Crystal structure and sequential dehydration transitions of disodium guanosine 5'-monophosphate tetrahydrate","Acta Crystallographica Section C","2018","74","10","1153","1159","10.1107/S2053229618012639","","","0.7107","MoKα","","0.036","0.033","","","0.068","0.0711","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","211786","2020-10-21","18:00:00",""
"2021237","14.594","0.0009","14.594","0.0009","8.5522","0.0006","90","","90","","120","","1577.46","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hydrogen hexakis(μ-hydrogen phosphato)digermaniumtrirubidium","","- Ge2 H7 O24 P6 Rb3 -","- Ge2 H6 O24 P6 Rb3 -","- Ge6 H18 O72 P18 Rb9 -","3","0.166667","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0345","0.0308","","","0.0826","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021238","8.3453","0.0018","9.642","0.002","9.739","0.002","89.762","0.007","83.744","0.007","88.946","0.007","778.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium bis(μ-hydrogen phosphato)(μ-hydroxido)germanium","","- Cs Ge H3 O9 P2 -","- Cs Ge H3 O9 P2 -","- Cs4 Ge4 H12 O36 P8 -","4","2","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0191","0.0175","","","0.0398","0.0409","","","","","","1.132","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021239","7.8332","0.0018","10.401","0.002","12.166","0.003","76.05","0.02","84.86","0.02","79.63","0.02","945.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-[(4-chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C42 H38 Cl2 N4 O4 S2 -","2","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0557","0.0511","","","0.1352","0.1431","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021240","4.6074","0.0012","22.882","0.008","31.816","0.012","90","","92.41","0.05","90","","3351.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(4-Chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidin-5-yl}methanol","","- C19 H17 Cl N2 O S -","- C19 H17 Cl N2 O S -","- C152 H136 Cl8 N16 O8 S8 -","8","2","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.1052","0.0638","","","0.106","0.1202","","","","","","1.038","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021241","14.4729","0.0008","11.4849","0.0005","10.3302","0.0006","90","","104.605","0.005","90","","1661.6","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Chlorobenzyl)sulfanyl]-5,6-dimethyl-2-phenylpyrimidine","","- C19 H17 Cl N2 S -","- C19 H17 Cl N2 S -","- C76 H68 Cl4 N8 S4 -","4","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0722","0.0591","","","0.1538","0.1626","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021242","8.6718","0.0005","23.5083","0.0012","14.3939","0.0009","90","","102.962","0.002","90","","2859.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3<i>E</i>,5<i>E</i>)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H23 Cl2 F6 N O3 S -","- C29 H23 Cl2 F6 N O3 S -","- C116 H92 Cl8 F24 N4 O12 S4 -","4","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0744","0.0468","","","0.108","0.1257","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021243","8.5664","0.0006","10.0932","0.0008","14.3871","0.0012","90.59","0.004","98.592","0.004","97.309","0.004","1219.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F7 N O3 S -","- C27 H18 F7 N O3 S -","- C54 H36 F14 N2 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0913","0.0501","","","0.1104","0.1292","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021244","7.4346","0.0007","11.6714","0.0011","14.6479","0.0015","90.825","0.005","96.884","0.005","98.971","0.005","1245.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Nitrobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F6 N2 O5 S -","- C27 H18 F6 N2 O5 S -","- C54 H36 F12 N4 O10 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0871","0.0505","","","0.1111","0.129","","","","","","1.032","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021245","9.7338","0.0006","12.4558","0.0009","12.6397","0.0009","70.586","0.003","88.379","0.004","81.726","0.003","1429.97","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(3<i>E</i>,5<i>E</i>)-1-(4-Cyanobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H20 Cl2 F6 N2 O3 S -","- C29 H20 Cl2 F6 N2 O3 S -","- C58 H40 Cl4 F12 N4 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-<i>N</i>-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0804","0.0456","","","0.095","0.1092","","","","","","1.005","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021246","9.4036","0.0002","21.1588","0.0004","15.0319","0.0003","90","","102.221","0.002","90","","2923.1","0.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","","- C27 H32 Cd Cl2 Co N3 O7 -","- C27 H32 Cd Cl2 Co N3 O7 -","- C108 H128 Cd4 Cl8 Co4 N12 O28 -","4","1","LH5882","Vassilyeva, Olga Yu.; Kasyanova, Katerina V.; Kokozay, Vladimir N.; Skelton, Brian W.","Crystal structure of dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate","Acta Crystallographica Section E Crystallographic Communications","2018","74","11","1532","","10.1107/S2056989018013610","","x-ray","1.54178","CuKα","","0.0574","0.046","","","0.1095","0.1173","","","","","","1.02","","","","has coordinates,has Fobs","211296","2020-10-21","18:00:00",""
"2021247","23.073","0.004","12.9877","0.0019","34.994","0.005","90","","105.158","0.003","90","","10122","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexa-μ-isopropanolato-hexaisopropanolatodi-μ~3~-oxido-hexa-μ~3~-\ phenylphosphonato-heptatitanium tetrahydrate","","- C72 H122 O36 P6 Ti7 -","- C72 H112 O32 P6 Ti7 -","- C288 H448 O128 P24 Ti28 -","4","0.5","JR3016","Gao, Mei-Yan; Liu, Xiao-Xue; Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Synthesis and structural characterization of a dumbbell-like phenylphosphonate-stabilized Ti~7~‒oxide cluster","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010707","","","0.71073","MoKα","","0.0764","0.0673","","","0.2199","0.2347","","","","","","0.936","","","","has coordinates,has Fobs","211487","2020-10-21","18:00:00",""
"2021248","15.2871","0.0002","25.654","0.0003","24.9018","0.0004","90","","90.321","0.001","90","","9765.7","0.2","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H147 Mn Mo6 N6 O24 -","- C88 H147 Mn Mo6 N6 O24 -","- C352 H588 Mn4 Mo24 N24 O96 -","4","1","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.0616","0.0455","","","0.0916","0.1062","","","","","","0.616","","","","has coordinates","211488","2020-10-21","18:00:00",""
"2021249","37.884","0.006","13.9437","0.0009","25.336","0.003","90","","128.39","0.02","90","","10490","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H154 Mn Mo6 N5 O25 -","- C88 H140.508 Mn Mo6 N5 O25 -","- C352 H562.032 Mn4 Mo24 N20 O100 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.2078","0.0926","","","0.2269","0.3084","","","","","","0.987","","","","has coordinates,has disorder","211488","2020-10-21","18:00:00",""
"2021250","37.431","0.004","13.1303","0.0004","25.288","0.002","90","","127.639","0.015","90","","9842","2","151","2","151","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H150 Mn Mo6 N5 O25 -","- C84.5 H140 Mn Mo6 N5 O24 -","- C338 H560 Mn4 Mo24 N20 O96 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.1209","0.0672","","","0.1666","0.2039","","","","","","0.993","","","","has coordinates,has Fobs","211488","2020-10-21","18:00:00",""
"2021251","29.7184","0.0017","29.7184","0.0017","29.7184","0.0017","90","","90","","90","","26247","3","296","2","296.11","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Dodecakis(dimethylammonium) octakis(μ-benzene-1,3,5-tricarboxylato)hexa-μ-chlorido-tetracosa-μ-oxido-triacontaoxidotriacontavanadium","","- C96 H120 Cl6 N12 O102 V30 -","- C72 H24 Cl6 O102 V30 -","- C288 H96 Cl24 O408 V120 -","4","0.0208333","JR3007","Gong, Ya-Ru; Su, Zhong-Min; Wang, Xin-Long","A polyoxometalate-based metal‒organic polyhedron constructed from a {V5O9Cl} building unit with rhombicuboctahedral geometry","Acta Crystallographica Section C Structural Chemistry","2018","74","11","","","10.1107/S2053229618010689","","","0.71073","MoKα","","0.0349","0.0275","","","0.0738","0.0798","","","","","","1.082","","","","has coordinates,has Fobs","211489","2020-10-21","18:00:00",""
"2021252","16.0955","0.001","12.9013","0.0008","19.2456","0.0012","90","","101.664","0.001","90","","3913.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(enH)~2~[{Cu(2,2'-bipy)(en)}~2~(μ~4~-H~3~BiW~18~O~60~)], 5.5H~2~O","","- C28 H64 Bi Cu2 N12 O65.5 W18 -","- C28 H53.9996 Bi Cu2 N12 O62 W18 -","- C56 H107.999 Bi2 Cu4 N24 O124 W36 -","2","0.5","JR3009","He, Shuai; Xin, Ying; Li, Jiansheng; Zhu, Zaiming; Zhao, Peng; You, Wansheng","A novel two-dimensional layered Cu^2+^ complex based on Dawson-like [H~3~BiW~18~O~60~]^6{-^}: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961800935X","","","0.71073","MoKα","","0.0562","0.0355","","","0.0682","0.0741","","","","","","1.023","","","","has coordinates,has disorder","211490","2020-10-21","18:00:00",""
"2021253","10.6516","0.0005","12.7532","0.0006","13.073","0.0005","113.771","0.001","90.443","0.001","112.502","0.001","1473.65","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-copper(II) paratungstateB","","","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","1","0.5","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0394","0.0352","","","0.0948","0.0983","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021254","12.3758","0.0006","14.7752","0.0007","18.8919","0.0008","92.9341","0.0014","100.694","0.0014","94.1698","0.0015","3378.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-iron(II) pararungstateB","","","- Fe2.5 H62 Na5 O78 W12 -","- Fe2.5 H68 Na5 O78 W12 -","- Fe5 H136 Na10 O156 W24 -","2","1","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0262","0.0224","","","0.0566","0.0583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021255","32.303","0.004","25.546","0.003","13.561","0.002","90","","110.885","0.006","90","","10455","2","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diammonium tris(4-ethylpyridine)hexaformatooxidotrichromium α-silicododecatungstate","","- C54 H80 Cr6 N8 O69 Si W12 -","- C54 Cr6 N8 O69 Si W12 -","- C216 Cr24 N32 O276 Si4 W48 -","4","0.5","JR3010","Miyazawa, Satoru; Hosono, Reina; Osuga, Ryota; Kondo, Junko Nomura; Uchida, Sayaka","Effect of the ammonium ion on proton conduction in porous ionic crystals based on Keggin-type silicododecatungstate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008227","","","0.71075","MoKα","","0.0686","0.0577","","","0.1558","0.175","","","","","","1.111","","","","has coordinates,has Fobs","211519","2020-10-21","18:00:00",""
"2021256","22.5605","0.0013","11.4578","0.0006","32.7134","0.0013","90","","95.172","0.004","90","","8421.8","0.7","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","Hexahydride tetrapotassium hexadecasodium (germanodecatungstato)(phosphononatungstato)tetrazirconate heptatriacontahydrate","","- Ge2 H80 K4 Na16 O181 P2 W38 Zr4 -","- Ge2 K4 Na16 O181 P2 W38 Zr4 -","- Ge4 K8 Na32 O362 P4 W76 Zr8 -","2","0.5","JR3002","Zhang, Zhong; Wang, Yue-Lin; Yang, Guo-Yu","An unprecedented Zr-containing polyoxometalate tetramer with mixed trilacunary/dilacunary Keggin-type polyoxotungstate units","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618006538","","","0.71073","MoKα","","0.1143","0.0829","","","0.1877","0.2054","","","","","","1.038","","","","has coordinates,has Fobs","211520","2020-10-21","18:00:00",""
"2021257","26.3672","0.0011","13.0801","0.0005","20.6502","0.0008","90","","90","","90","","7122","0.5","83","2","83","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentakis(tetraethylammonium) azidododecavanadate nitromethane monosolvate","","- C41 H103 N9 O34 V12 -","- C41 H103 N9 O34 V12 -","- C164 H412 N36 O136 V48 -","4","1","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.7107","MoKα","","0.04","0.0368","","","0.0854","0.0882","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021258","19.272","0.003","24.785","0.003","14.552","0.004","90","","116.387","0.015","90","","6227","2","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium azidotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N10 O44 S6 V14 -","- C12 H64 N10 O44 S6 V14 -","- C48 H256 N40 O176 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0408","0.0361","","","0.0925","0.0977","","","","","","1.086","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021259","19.352","0.006","24.753","0.006","14.561","0.005","90","","116.537","0.006","90","","6240","3","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium cyanatotetradecavanadate dimethyl sulfoxide hexasolvate","","- C13 H64 N8 O45 S6 V14 -","- C13 H64 N8 O45 S6 V14 -","- C52 H256 N32 O180 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0606","0.0516","","","0.1353","0.1456","","","","","","1.064","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021260","19.3923","0.0007","24.9031","0.0009","14.5785","0.0005","90","","116.374","0.001","90","","6307.6","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium nitratotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N8 O47 S6 V14 -","- C12 H64 N8 O47 S6 V14 -","- C48 H256 N32 O188 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","1.54178","CuKα","","0.0577","0.0522","","","0.1327","0.1376","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021261","20.3334","0.0003","20.3334","0.0003","18.7836","0.0003","90","","90","","120","","6725.58","0.18","130","0.1","130","0.1","","","","","","","","8","R 3","R 3","146","","Sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)] silicododecatungstate dodecahydrate","","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C126 H54 Dy9 N18 Na3 O220.5 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.0975","0.0976","","","","","","1.022","","","","has coordinates","211522","2020-10-21","18:00:00",""
"2021262","18.119","0.003","18.119","0.003","21.078","0.003","90","","90","","120","","5992.8","1.6","100","2","100","2","","","","","","","","8","R 3","R 3","146","","Sodium aqua tris[tetraaqua(μ-4-hydroxypyridine-2,6-dicarboxylato)praseodymium(III)] silicododecatungstate dodecahydrate","","- C21 H53 N3 Na O80 Pr3 Si W12 -","- C21 H53.0016 N3 Na O79.9999 Pr3 Si W12 -","- C63 H159.005 N9 Na3 O240 Pr9 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","","0.71073","MoKα","","0.0357","0.0304","","","0.0645","0.0652","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211522","2020-10-21","18:00:00",""
"2021263","15.1172","0.001","15.1172","0.001","28.034","0.004","90","","90","","120","","5548.3","0.9","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0412","0.0339","","","0.0825","0.0851","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021264","14.981","0.009","14.981","0.009","27.897","0.017","90","","90","","120","","5422","6","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0523","0.0433","","","0.1057","0.1094","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021265","14.9855","0.0008","14.9855","0.0008","27.949","0.003","90","","90","","120","","5435.5","0.7","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0566","0.0461","","","0.1222","0.1284","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021266","14.9709","0.0018","14.9709","0.0018","27.952","0.003","90","","90","","120","","5425.5","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0916","0.0735","","","0.1591","0.1667","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021267","14.905","0.004","14.905","0.004","27.912","0.015","90","","90","","120","","5370","4","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0713","0.052","","","0.1272","0.1347","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021268","14.9066","0.0018","14.9066","0.0018","27.948","0.003","90","","90","","120","","5378.2","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0447","0.04","","","0.1067","0.1101","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021269","14.9349","0.0017","14.9349","0.0017","27.969","0.003","90","","90","","120","","5402.7","1","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0605","0.049","","","0.1234","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021270","14.962","0.002","14.962","0.002","27.974","0.005","90","","90","","120","","5423.3","1.4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0551","0.0477","","","0.1121","0.115","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021271","10.4179","0.0003","10.5225","0.0004","10.5988","0.0004","65.356","0.001","69.658","0.001","77.922","0.001","987.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.024","0.021","","","0.0638","0.0668","","","","","","0.968","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021272","9.1173","0.0011","10.3631","0.0014","10.7022","0.0015","85.653","0.005","77.403","0.005","83.439","0.005","979","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.0301","0.0213","","","0.0491","0.053","","","","","","1.028","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021273","11.385","0.003","14.121","0.003","15.126","0.004","69.259","0.003","82.422","0.004","88.086","0.004","2254.1","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H68 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","1","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0846","0.0568","","","0.1405","0.161","","","","","","1.046","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021274","21.317","0.007","18.533","0.006","22.838","0.008","90","","95.13","0.005","90","","8986","5","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C28 H70 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C28 H51 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C112 H204 Ca8 Fe8 Mo48 N16 Na4 O296 P32 -","4","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0393","0.0382","","","0.1103","0.1112","","","","","","1.063","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021275","11.8121","0.0009","22.6484","0.0016","16.0089","0.0012","90","","98.701","0.001","90","","4233.5","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Fe Mo12 N6 O70 P8 -","- C36 H68 Fe Mo12 N6 O70 P8 -","- C72 H136 Fe2 Mo24 N12 O140 P16 -","2","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.021","0.0195","","","0.0493","0.0502","","","","","","1.074","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021276","9.101","0.0006","13.177","0.0007","13.328","0.0007","70.334","0.004","89.469","0.003","86.582","0.004","1502.34","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-4-(4-Chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C15 H17 Cl N4 O -","- C15 H17 Cl N4 O -","- C60 H68 Cl4 N16 O4 -","4","2","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3<i>H</i>-imidazol-4(5<i>H</i>)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","","0.71073","MoKα","","0.0829","0.0507","","","0.1128","0.1275","","","","6.606","6.606","1.047","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021277","10.937","0.005","11.384","0.005","14.488","0.005","77.45","0.005","81.731","0.005","68.704","0.005","1636.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-[4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl]-1-methylpiperazin-1-ium 3-{5-[4-(diethylamino)benzylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propionate","","- C32 H37 Cl N6 O4 S2 -","- C32 H37 Cl N6 O4 S2 -","- C64 H74 Cl2 N12 O8 S4 -","2","1","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3<i>H</i>-imidazol-4(5<i>H</i>)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","x-ray","0.71069","MoKα","","0.0797","0.0502","","","0.1194","0.1416","","","","","","1.043","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021278","16.1062","0.0017","26.512","0.003","45.569","0.005","90","","90","","90","","19458","4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H152.95 Al Mo6 N5 O32.73 -","- C73 H152.952 Al Mo6 N5 O32.726 -","- C584 H1223.62 Al8 Mo48 N40 O261.808 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0766","0.0656","","","0.1392","0.1436","","","","","","1.238","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021279","21.8904","0.0006","23.9848","0.0006","37.719","0.001","90","","90","","90","","19803.9","0.9","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H150 Al Cl Mo6 N5 O36 -","- C71 H150 Al Cl Mo6 N5 O36 -","- C568 H1200 Al8 Cl8 Mo48 N40 O288 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0367","0.029","","","0.0708","0.0754","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021280","7.3942","0.0002","7.3942","0.0002","17.4657","0.0004","90","","90","","120","","826.99","0.04","100","1","100","1","","","","","","","","5","P 32","P 32","145","Cytisinium bromide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bromide","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C33 H45 Br3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0334","0.0273","","","0.0451","0.0466","","","","","","0.996","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021281","7.522","0.0002","7.522","0.0002","18.5124","0.0004","90","","90","","120","","907.11","0.04","295","2","295","2","","","","","","","","5","P 32","P 32","145","Cytisinium iodide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide","","- C11 H15 I N2 O -","- C11 H15 I N2 O -","- C33 H45 I3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0461","0.0494","","","","","","1.054","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021282","6.8719","0.0003","18.8925","0.0011","19.1239","0.0014","90","","90","","90","","2482.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinium perchlorate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium perchlorate","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C88 H120 Cl8 N16 O40 -","8","2","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.068","0.0506","","","0.1158","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021283","7.5105","0.0004","7.5353","0.0004","13.8994","0.0007","79.612","0.004","75.806","0.004","61.115","0.005","665.96","0.07","100","1","100","1","","","","","","","","5","P 1","P 1","1","Cytisinium iodide triiodide","Bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) iodide triiodide","","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","1","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0402","0.0336","","","0.0607","0.0631","","","","","","0.983","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021284","7.6327","0.0002","10.451","0.0002","7.6553","0.0002","90","","108.559","0.003","90","","578.9","0.03","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium chloride monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium chloride monohydrate","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C22 H34 Cl2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021285","7.7268","0.0004","10.4304","0.0004","8.0655","0.0004","90","","108.341","0.005","90","","617.01","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium iodide monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide monohydrate","","- C11 H17 I N2 O2 -","- C11 H17 I N2 O2 -","- C22 H34 I2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0849","0.0871","","","","","","1.08","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021286","7.6216","0.0002","10.4582","0.0002","8.4325","0.0003","90","","113.071","0.004","90","","618.38","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cytisinium nitrate monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium nitrate monohydrate","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C22 H34 N6 O10 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0269","0.0267","","","0.0742","0.0744","","","","","","1.085","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021287","10.78898","0.00014","7.84934","0.00011","14.37986","0.00017","90","","97.4435","0.0012","90","","1207.52","0.03","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","Hydrogen dicytisinium tribromide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) tribromide","","- C22 H31 Br3 N4 O2 -","- C22 H31 Br3 N4 O2 -","- C44 H62 Br6 N8 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0233","0.0233","","","0.0641","0.0641","","","","","","1.127","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021288","7.9767","0.0003","14.1131","0.0006","25.725","0.001","90","","90","","90","","2896","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide","Hydrogen bis(6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide","","- C22 H31 I3 N4 O2 -","- C22 H31 I3 N4 O2 -","- C88 H124 I12 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0588","0.0478","","","0.1323","0.1399","","","","","","0.998","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021289","7.8269","0.0002","19.3211","0.0006","19.9592","0.0005","90","","90","","90","","3018.32","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide diiodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide diiodide","","- C22 H31 I5 N4 O2 -","- C22 H31 I5 N4 O2 -","- C88 H124 I20 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0501","0.0525","","","","","","1.027","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021290","7.8686","0.0002","19.4183","0.0005","21.855","0.0006","90","","90","","90","","3339.33","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium bis(triodide) iodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) bis(triodide) iodide","","- C22 H31 I7 N4 O2 -","- C22 H31 I7 N4 O2 -","- C88 H124 I28 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0606","0.0487","","","0.1283","0.1347","","","","","","1.109","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021291","8.0018","0.0013","11.7602","0.0016","16.421","0.002","90","","90","","90","","1545.3","0.4","130","1","130","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinediium bis(perchlorate)","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bis(perchlorate)","","- C11 H16 Cl2 N2 O9 -","- C11 H16 Cl2 N2 O9 -","- C44 H64 Cl8 N8 O36 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.1127","0.0805","","","0.1903","0.2395","","","","","","1.248","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021292","7.3551","0.0003","16.5198","0.0005","7.4476","0.0003","90","","119.027","0.006","90","","791.25","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinediium dichloride trihydrate","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-ium dichloride trihydrate","","- C11 H22 Cl2 N2 O4 -","- C11 H22 Cl2 N2 O4 -","- C22 H44 Cl4 N4 O8 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0345","0.0296","","","0.0661","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021293","8.065","0.003","10.293","0.004","10.837","0.004","64.09","0.005","75.186","0.005","71.141","0.005","758.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Poly[diaquabis(2,2'-biimidazole)hexa-μ~3~-oxo-octa-μ~2~-oxo-hexaoxodicopper(II)hexamolybdate(VI)]","","","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","1","0.5","JR3022","Sang, Xiao-Jing; Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Zhang, Lan-Cui; Zhu, Zai-Ming","A new hexamolybdate-based copper‒2,2'-biimidazole coordination polymer serving as an acid catalyst and support for enzyme immobilization","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013037","","","0.71073","MoKα","","0.0215","0.018","","","0.0409","0.0424","","","","","","1.06","","","","has coordinates,has Fobs","211616","2020-10-21","18:00:00",""
"2021294","11.594","0.004","15.198","0.005","15.292","0.005","80.195","0.003","87.94","0.004","75.052","0.004","2565.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']terbium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Mo12 N7 O50 P Tb -","- C11 H31 Mo12 N7 O50 P Tb -","- C22 H62 Mo24 N14 O100 P2 Tb2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0382","0.0302","","","0.0781","0.0816","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021295","11.566","0.003","15.218","0.003","15.257","0.003","80.092","0.003","87.602","0.003","75.013","0.002","2555.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^<i>O</i>,<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>']dysprosium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Dy Mo12 N7 O50 P -","- C11 H31 Dy Mo12 N7 O50 P -","- C22 H62 Dy2 Mo24 N14 O100 P2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0561","0.0393","","","0.1026","0.1109","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021296","20.135","0.006","6.826","0.002","29.027","0.009","90","","100.759","0.014","90","","3919","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole","","- C22 H23 N3 S -","- C22 H23 N3 S -","- C176 H184 N24 S8 -","8","1","FN3273","Karakurt, Tuncay","Investigation of the molecular structure of 4-(3-methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole in the gas and solid phases","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013475","","","0.71073","MoKα","","0.0679","0.0527","","","0.1293","0.1386","","","","","","1.073","","","","has coordinates,has Fobs","211618","2020-10-21","18:00:00",""
"2021297","21.1233","0.0004","6.4503","0.0002","33.9243","0.0009","90","","95.453","0.002","90","","4601.3","0.2","116","2","116","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-methylbenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C22 H27 Cl F N3 O3 S -","- C22 H27 Cl F N3 O3 S -","- C176 H216 Cl8 F8 N24 O24 S8 -","8","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0636","0.0418","","","0.0936","0.1056","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021298","5.996","0.0001","41.1095","0.0005","10.4904","0.0002","90","","103.972","0.002","90","","2509.3","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(5-fluoro-3-methylbenzo[<i>b</i>]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C25 H28 Cl F2 N3 O3 S2 -","- C25 H28 Cl F2 N3 O3 S2 -","- C100 H112 Cl4 F8 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0438","0.0378","","","0.0893","0.0936","","","","","","1.053","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021299","21.8891","0.0003","6.958","0.0001","17.7899","0.0002","90","","109.558","0.001","90","","2553.15","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(6-fluorobenzo[<i>b</i>]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C24 H26 Cl2 F N3 O3 S2 -","- C24 H26 Cl2 F N3 O3 S2 -","- C96 H104 Cl8 F4 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0314","0.0274","","","0.0681","0.0711","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021300","5.7077","0.0002","9.7798","0.0003","41.228","0.0011","90","","91.123","0.002","90","","2300.91","0.12","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-chloro-4-fluorobenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C21 H23 Cl2 F2 N3 O3 S -","- C21 H23 Cl2 F2 N3 O3 S -","- C84 H92 Cl8 F8 N12 O12 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","0.71073","MoKα","","0.0674","0.0431","","","0.0888","0.1004","","","","","","1.046","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021301","8.768","0.003","11.935","0.004","9.001","0.003","90","","113.623","0.009","90","","863","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.065","0.0493","","","0.1259","0.1305","","","","","","0.952","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021302","6.5581","0.0015","7.8144","0.0018","17.137","0.005","90","","90","","90","","878.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.0316","0.0282","","","0.081","0.098","","","","","","1.17","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021303","9.2072","0.0008","15.0256","0.0013","13.6139","0.0012","90","","106.177","0.005","90","","1808.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tetraaquabis[μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-(benzene-1,4-dicarboxamido)dipropionato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''':<i>O</i>'']dicadmium(II)] trihydrate]","","- C28 H42 Cd2 N4 O19 -","- C28 H42 Cd2 N4 O19 -","- C56 H84 Cd4 N8 O38 -","2","1","SK3708","Zhang, Hong-Tao; Wang, Xiao-Long","A new twofold interpenetrated two-dimensional cadmium(II) coordination polymer constructed from 2,2'-(benzene-1,4-dicarboxamido)dipropionate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013967","","","0.71073","MoKα","","0.0483","0.0333","","","0.0585","0.0634","","","","","","1.004","","","","has coordinates,has Fobs","211623","2020-10-21","18:00:00",""
"2021304","24.775","0.004","5.5195","0.0007","8.1622","0.0013","90","","95.759","0.012","90","","1110.5","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.1381","0.0625","","","0.112","0.1364","","","","","","1.012","","","","has coordinates","211624","2020-10-21","18:00:00",""
"2021305","24.764","0.003","5.5162","0.0007","8.1487","0.0011","90","","95.705","0.012","90","","1107.6","0.2","283","2","283","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.206","0.0948","","","0.1173","0.1561","","","","","","1.002","","","","has coordinates","211625","2020-10-21","18:00:00",""
"2021306","24.74","0.002","5.5154","0.0006","8.1367","0.0008","90","","95.727","0.009","90","","1104.72","0.19","110","5","110","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.0895","0.049","","","0.1098","0.1331","","","","","","0.985","","","","has coordinates,has Fobs","211626","2020-10-21","18:00:00",""
"2021307","24.8153","0.0019","5.5146","0.0004","8.1513","0.0009","90","","95.719","0.009","90","","1109.92","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (<i>E</i>)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.136","0.073","","","0.1855","0.2432","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","211626","2020-10-21","18:00:00",""
"2021308","17.0498","0.0011","5.7778","0.0004","18.1012","0.0011","90","","117.359","0.0012","90","","1583.7","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tolnaftate","<i>O</i>-Naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YP3169","Ho, Douglas M.; Zdilla, Michael J.","The solid-state conformation of the topical antifungal agent <i>O</i>-naphthalen-2-yl <i>N</i>-methyl-<i>N</i>-(3-methylphenyl)carbamothioate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013591","","","0.71073","MoKα","","0.0533","0.0377","","","0.0852","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","211627","2020-10-21","18:00:00",""
"2021309","10.5193","0.0003","12.2078","0.0004","8.8674","0.0003","90","","93.763","0.003","90","","1136.27","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Iodophenyl)carbonyl]morpholine","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C44 H48 I4 N4 O8 -","4","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0208","0.0173","","","0.0424","0.0437","","","","","","1.067","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021310","9.9577","0.0002","9.9577","0.0002","9.8213","0.0002","90","","90","","120","","843.37","0.03","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Bromophenyl)carbonyl]morpholine","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0231","0.0226","","","0.0564","0.0565","","","","","","1.048","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021311","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Chlorophenyl)carbonyl]morpholine","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0302","0.028","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","211628","2020-10-21","18:00:00",""
"2021312","7.3584","0.0005","7.2979","0.0005","37.576","0.002","90","","90","","90","","2017.9","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Fluorophenyl)carbonyl]morpholine","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0995","0.0459","","","0.0707","0.0852","","","","","","0.969","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021313","29.196","0.004","29.196","0.004","5.4212","0.001","90","","90","","120","","4002","1.1","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","2-Methyl-4-phenyl-1<i>H</i>-imidazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C180 H180 N36 -","18","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0863","0.0634","","","0.1823","0.2005","","","","","","1.102","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021314","10.4027","0.0015","18.093","0.002","11.1496","0.0016","90","","101.573","0.014","90","","2055.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-2-methyl-1<i>H</i>-imidazole hemihydrate","","- C10 H10 Cl N2 O0.5 -","- C10 H10 Cl N2 O0.5 -","- C80 H80 Cl8 N16 O4 -","8","2","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0887","0.0595","","","0.1619","0.183","","","","","","1.093","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021315","7.153","0.0011","7.4824","0.0014","21.437","0.003","90","","90","","90","","1147.3","0.3","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","4-(4-Methoxyphenyl)-2-methyl-1<i>H</i>-imidazole","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies <i>via</i> X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1<i>H</i>-imidazoles of different electronic nature and their <i>in vitro</i> antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0965","0.0617","","","0.1619","0.1806","","","","","","1.056","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021316","11.1643","0.0011","3.8275","0.0004","17.2764","0.0016","90","","98.662","0.003","90","","729.82","0.12","130","","130","","","","","","","","","5","P 1 c 1","P -2yc","7","4-bromo-2-nitroaniline","4-Bromo-2-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","2","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of <i>meta</i>-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","MoKα","","0.062","0.041","","","0.0738","0.08","","","","","","1.02","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021317","4.4477","0.0002","11.4469","0.0004","13.8244","0.0005","90","","94.635","0.002","90","","701.53","0.05","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-bromo-6-nitroaniline","2-Bromo-6-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","1","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of <i>meta</i>-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","Mo-Kα","","0.0335","0.023","","","0.0464","0.0504","","","","","","1.038","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021318","9.5158","0.0005","9.6393","0.0004","11.0824","0.0007","88.441","0.004","71.611","0.005","81.106","0.004","952.78","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>^1^)copper(II)]","","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","1","0.5","OV3118","Potočňák, Ivan; Bukrynov, Oleksandr; Ráczová, Katarína; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal; Štarha, Pavel","Low-dimensional compounds containing cyanido groups. Part XXXV. Structure, spectral, thermal and magnetic properties of a binuclear Cu^II^‒biquinoline complex with bridging and terminal dicyanamide ligands","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801375X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0909","0.0945","","","","","","1.08","","","","has coordinates,has Fobs","211631","2020-10-21","18:00:00",""
"2021319","11.1485","0.0012","10.8671","0.0012","13.2125","0.0014","90","","107.631","0.002","90","","1525.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^)bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'':κ<i>O</i>}tricopper(II)]","","- C14 H18 Cu1.5 N O7 -","- C14 H18 Cu1.5 N O7 -","- C56 H72 Cu6 N4 O28 -","4","1","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0696","0.0374","","","0.084","0.0976","","","","","","1.009","","","","has coordinates,has Fobs","211679","2020-10-21","18:00:00",""
"2021320","16.0209","0.001","9.3823","0.0005","16.6801","0.0008","90","","99.563","0.004","90","","2472.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis{μ~4~-4,4'-[1,4-phenylenebis(oxy)]dibenzoato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''}bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'':κ<i>O</i>}tricopper(II)]","","- C52 H52 Cu3 N2 O18 -","- C52 H52 Cu3 N2 O18 -","- C104 H104 Cu6 N4 O36 -","2","0.5","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0551","0.0363","","","0.0866","0.0949","","","","","","1.026","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021321","22.1764","0.0011","38.1422","0.0019","23.9668","0.0015","90","","114.657","0.007","90","","18424","2","129.97","0.1","129.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H88 B3 Ba9 Co3 N6 O155 W33 -","- C18 H12 B3 Ba8 Co3 N6 O154 W33 -","- C72 H48 B12 Ba32 Co12 N24 O616 W132 -","4","1","JR3023","Xu, Jingjing; Gable, Robert W.; Ritchie, Chris","Targeted synthesis of a polypyridyl polyoxometalate coordination complex using microwave-assisted reaction conditions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801183X","","x-ray","1.54184","CuKα","","0.1933","0.12","","","0.2947","0.3339","","","","","","0.881","","","","has coordinates,has disorder,has Fobs","211680","2020-10-21","18:00:00",""
"2021322","10.8018","0.0015","11.6708","0.0016","14.248","0.002","93.707","0.002","105.555","0.002","116.417","0.002","1514.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dicarbonyldichloridobis[2-(4-methoxyphenyl)-1,8-naphthyridine-κ<i>N</i>^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C64 H48 Cl4 N8 O8 Ru2 -","2","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two <i>N</i>-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0485","0.0376","","","0.0856","0.0925","","","","","","1.044","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021323","19.106","0.003","12.1967","0.0016","29.42","0.004","90","","94.918","0.002","90","","6830.5","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-Dicarbonyldichloridobis[2-(2-methoxyphenyl)-1,8-naphthyridine-κ<i>N</i>^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C256 H192 Cl16 N32 O32 Ru8 -","8","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two <i>N</i>-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0643","0.0417","","","0.0921","0.1031","","","","","","0.98","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021324","20.764","0.002","6.6904","0.0006","24.174","0.003","90","","97.1","0.01","90","","3332.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-<i>N</i>-{2-[2-(Benzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C128 H136 N24 O24 S8 -","8","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1202","0.078","","","0.1359","0.1523","","","","","","1.239","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021325","6.7308","0.0007","10.322","0.001","13.723","0.002","75.562","0.008","85.556","0.009","75.046","0.008","891.94","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Bromobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Br N3 O3 S -","- C16 H16 Br N3 O3 S -","- C32 H32 Br2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0801","0.0692","","","0.1929","0.2076","","","","","","1.095","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021326","6.7101","0.0006","10.359","0.001","13.5","0.001","76.049","0.008","85.846","0.009","74.823","0.008","878.9","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0512","0.0409","","","0.1022","0.1101","","","","","","1.029","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021327","6.931","0.001","11.076","0.002","12.935","0.003","87.37","0.02","81.44","0.02","74.42","0.02","945.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-(2-{2-[4-(Dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-4-methylbenzene-sulfonamide","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C36 H44 N8 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1799","0.0823","","","0.1219","0.146","","","","","","1.143","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021328","6.8887","0.0008","10.778","0.001","12.411","0.002","95.26","0.01","93.43","0.01","104.82","0.01","883.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>-{2-[2-(4-Methoxybenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O4 S -","- C17 H19 N3 O4 S -","- C34 H38 N6 O8 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five <i>N</i>-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0556","0.0403","","","0.1003","0.1108","","","","","","1.06","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021329","9.643","0.008","10.934","0.009","11.787","0.009","95.776","0.015","94.925","0.016","91.207","0.017","1231.4","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>:<i>N</i>'](μ-1,3-phenylenediacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)] dihydrate]","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C48 H52 Cd2 N8 O12 -","2","1","LF3078","Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun","A new two-dimensional Cd^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 1,3-phenylenediacetic acid: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015061","","","0.71073","MoKα","","0.0738","0.0468","","","0.1041","0.1191","","","","","","0.964","","","","has coordinates,has Fobs","211884","2020-10-21","18:00:00",""
"2021330","11.9894","0.0003","13.6171","0.0004","14.3939","0.0004","89.467","0.0013","74.383","0.0012","68.125","0.0012","2089.34","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 13-ethyl-4-oxo-8,13-dihydro-4<i>H</i>-benzo[5,6]azepino[3,2,1-<i>ij</i>]quinoline-5-carboxylate heptane hemisolvate","","- C25.5 H29 N O2 -","- C25.5 H29 N O3 -","- C102 H116 N4 O12 -","4","2","LG3226","Macías, Mario A.; Sanabria, Elkin E.; Acosta-Quintero, Lina M.; Palma, Alirio; Suescun, Leopoldo","Observation of an infrequent enantiomer/conformer substitutional disorder in ethyl 13-ethyl-4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylate heptane hemisolvate","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618015152","","","1.54178","CuKα","","0.0661","0.0576","","","0.1483","0.1554","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","211885","2020-10-21","18:00:00",""
"2021331","7.6924","0.0015","10.128","0.002","12.24","0.002","84.85","0.03","85.98","0.03","83.7","0.03","942.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-<i>trans</i>-1,2-bis(pyridin-3-yl)ethylene-κ^2^<i>N</i>:<i>N</i>']bis(μ~4~-4,4'-oxydibenzoato-κ^6^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>'',<i>O</i>''')dicadmium(II)]","","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","1","0.5","QS3076","Li, Ni-Ya; Liu, Dong","Synthesis, structure and photoluminescence properties of a three-dimensional cadmium(II) (4,5)-connected coordination network","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015073","","","0.71073","MoKα","","0.0211","0.0193","","","0.0475","0.0486","","","","","","1.129","","","","has coordinates,has Fobs","211886","2020-10-21","18:00:00",""
"2021332","21.418","0.003","21.418","0.003","12.2911","0.0018","90","","90","","120","","4882.9","1.2","150","2","150","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","Pentasodium iron(III) silicate","","- Fe Na4.96 O12 Si4 -","- Fe Na4.96067 O12 Si4 -","- Fe18 Na89.292 O216 Si72 -","18","","FN3279","Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S.","Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O‒Fe~2~O~3~‒8SiO~2~ glass","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014353","","","0.71073","MoKα","","0.0308","0.0192","","","0.0436","0.0458","","","","","","1.013","","","","has coordinates,has Fobs","211917","2020-10-21","18:00:00",""
"2021333","10.3982","0.0015","10.3982","0.0015","38.858","0.008","90","","90","","120","","3638.5","1.1","293","2","293","2","","","","","","","synthesised by authors, see text","5","R -3 c :H","-R 3 2""c","167","","","","- Ag1.01 In Mo3 O12 Rb2 -","- Ag1.0089 In0.9971 Mo3 O12 Rb2 -","- Ag12.1068 In11.9652 Mo36 O144 Rb24 -","12","0.333333","LY3077","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Kadyrova, Yulia M.; Solodovnikova, Zoya A.; Yudin, Vasiliy N.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","New triple molybdate Rb~2~AgIn(MoO~4~)~3~: synthesis, framework crystal structure and ion-transport behaviour","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014717","","","0.71073","MoKα","","0.0326","0.0225","","","0.0548","0.0572","","","","","","1.009","","","","has coordinates,has Fobs","211918","2020-10-21","18:00:00",""
"2021334","8.768","0.007","11.115","0.002","22.3","0.04","90","","91.59","0.13","90","","2172","4","2.5","0.5","2.5","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 2.5 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutrons","","0.0463","0.038","","","0.0921","0.096","","","","","","1.145","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021335","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 170 K, X-ray constrained","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutron","","0.0741","0.0598","","","0.1276","0.1472","","","","","","1.219","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021336","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, X-ray data at 170 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.71073","MoKα","","0.0696","0.0522","","","0.1338","0.1462","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","211974","2020-10-21","18:00:00",""
"2021337","13.2358","0.0005","16.3228","0.0005","17.8925","0.0005","95.741","0.002","107.412","0.003","105.197","0.003","3492","0.2","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(perchlorate)‒dichloromethane‒methanol (1/1/2)","Bis{<i>N</i>-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3<i>H</i>-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(perchlorate)‒dichloromethane ‒methanol (1/1/2)","","- C67 H70 Br2 Cl4 Co N10 O14 -","- C67 H70 Br2 Cl4 Co N10 O14 -","- C134 H140 Br4 Cl8 Co2 N20 O28 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0764","0.0666","","","0.1807","0.1925","","","","","","1.032","","","","has coordinates,has Fobs","211975","2020-10-21","18:00:00",""
"2021338","13.182","0.0003","16.2426","0.0003","17.7898","0.0003","95.8495","0.0014","107.33","0.0016","104.713","0.0016","3451.2","0.13","99.98","0.15","99.98","0.15","","","","","","","","9","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","Bis{<i>N</i>-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3<i>H</i>-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C134 H140 B4 Br4 Cl4 Co2 F16 N20 O12 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0548","0.0494","","","0.132","0.1368","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","211975","2020-10-21","18:00:00",""
"2021339","7.1606","0.0004","7.2405","0.0003","28.2842","0.0014","90","","90","","90","","1466.43","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Methyl-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C56 H84 N12 O4 S4 -","4","1","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.077","0.0779","","","","","","1.116","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021340","11.4988","0.0008","13.5379","0.0011","22.3107","0.0016","90","","90","","90","","3473.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>,5<i>Z</i>)-5-[(Dimethylamino)methylidene]-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C16 H24 N4 O S -","- C16 H24 N4 O S -","- C128 H192 N32 O8 S8 -","8","2","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","","0.71073","MoKα","","0.0516","0.04","","","0.0926","0.0991","","","","","","1.026","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021341","10.2789","0.0005","10.8253","0.0004","15.02","0.0006","101.229","0.004","105.716","0.004","109.782","0.004","1436.22","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,4-diyl)bis(<i>O</i>,<i>O</i>'-diphenylphosphoramide)","","- C30 H32 N2 O6 P2 -","- C30 H32 N2 O6 P2 -","- C60 H64 N4 O12 P4 -","2","2","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.032","0.0299","","","0.0757","0.0775","","","","","","1.014","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021342","13.2517","0.0003","10.0091","0.0002","13.958","0.0003","90","","112.931","0.0012","90","","1705.05","0.06","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","<i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(<i>O</i>,<i>O</i>'-dimethylthiophosphoramidate)","","- C10 H18 N2 O4 P2 S2 -","- C10 H18 N2 O4 P2 S2 -","- C40 H72 N8 O16 P8 S8 -","4","1","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···O<i>X</i> (<i>X</i> is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=<i>Y</i>) (<i>Y</i> is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.0568","0.0423","","","0.1046","0.1148","","","","","","1.016","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021343","10.148","0.0009","11.2687","0.0011","11.5255","0.0012","90","","102.371","0.003","90","","1287.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0745","0.0493","","","0.1206","0.1344","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021344","5.6693","0.0012","7.642","0.003","30.891","0.007","90","","90.465","0.014","90","","1338.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0916","0.0524","","","0.1255","0.1443","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021345","4.9137","0.0003","15.0053","0.0009","17.7776","0.001","86.452","0.002","86.481","0.003","89.888","0.003","1305.79","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1142","0.0578","","","0.1528","0.1823","","","","","","1.041","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021346","6.0349","0.0002","7.3474","0.0002","16.6718","0.0005","93.255","0.001","98.722","0.001","104.473","0.001","704.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0316","0.0277","","","0.0717","0.0737","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021347","10.42","0.0008","12.5276","0.0011","11.2084","0.0009","90","","103.682","0.003","90","","1421.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C60 H44 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0688","0.0465","","","0.1183","0.1314","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021348","7.6122","0.0004","10.7586","0.0006","18.3363","0.0011","104.238","0.002","95.169","0.002","107.232","0.002","1368.51","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C68 H68 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0621","0.0514","","","0.1333","0.1417","","","","","","1.021","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021349","7.727","0.0015","8.9264","0.0017","10.491","0.002","97.989","0.007","96.215","0.007","106.294","0.007","679.5","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C34 H34 N4 -","1","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0495","0.0402","","","0.0922","0.096","","","","","","1.047","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021350","11.8988","0.0004","8.1189","0.0003","18.4205","0.0006","90","","98.961","0.002","90","","1757.8","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C76 H92 N16 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1272","0.0546","","","0.1199","0.1484","","","","","","1.001","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021351","7.5278","0.0008","10.1875","0.0011","12.0834","0.0013","104.338","0.005","95.713","0.005","98.717","0.004","878.3","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C38 H46 N8 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1042","0.0564","","","0.1424","0.1684","","","","","","1.015","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021352","4.0594","0.0003","10.8684","0.0008","20.7336","0.0015","102.079","0.006","94.047","0.006","94.299","0.006","888.48","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","Poly[[1-benzoyl-3-(4-bromophenyl)thiourea-κ<i>S</i>]-μ~3~-iodido-copper(I)] acetone hemisolvate","","- C15.5 H14 Br Cu I N2 O1.5 S -","- C15.5 H14 Br1.0004 Cu1.0004 I1.0004 N2 O1.5 S1.0004 -","- C31 H28 Br2.0008 Cu2.0008 I2.0008 N4 O3 S2.0008 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0687","0.0632","","","0.1677","0.1746","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","212003","2020-10-21","18:00:00",""
"2021353","12.688","0.0012","4.1152","0.0004","15.8952","0.0015","90","","100.258","0.008","90","","816.68","0.14","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[μ~4~-iodido-μ~3~-iodido-[<i>N</i>-(benzo[<i>d</i>]thiazol-2-yl)benzamide-κ<i>N</i>]dicopper(I)]","","- C14 H10 Cu2 I2 N2 O S -","- C14 H10 Cu2 I2 N2 O S -","- C28 H20 Cu4 I4 N4 O2 S2 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.1204","0.1205","","","","","","1.058","","","","has coordinates,has Fobs","212003","2020-10-21","18:00:00",""
"2021354","21.758","0.002","12.7682","0.0013","31.382","0.003","90","","109.191","0.005","90","","8233.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido)-1:2κ^2^<i>N</i>^1^,<i>N</i>^7^:κ<i>N</i>^7^; 1:2κ<i>N</i>^7^:κ^2^<i>N</i>^7^,<i>C</i>^6^-bis[(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)iron(II)]","","- C80 H72 Fe2 N12 -","- C80 H72 Fe2 N12 -","- C320 H288 Fe8 N48 -","4","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.1283","0.0761","","","0.169","0.1927","","","","","","1.034","","","","has coordinates,has Fobs","212004","2020-10-21","18:00:00",""
"2021355","15.9624","0.0012","15.8047","0.0011","32.747","0.002","90","","90","","90","","8261.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-1,4-dimethyltribenzo[<i>b</i>,<i>e</i>,<i>h</i>][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κ<i>N</i>^7^)bis(tetrahydrofuran-κ<i>O</i>)iron(II)","","- C48 H52 Fe N6 O2 -","- C48 H52 Fe N6 O2 -","- C384 H416 Fe8 N48 O16 -","8","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.0639","0.0427","","","0.1009","0.111","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","212004","2020-10-21","18:00:00",""
"2021356","12.984","0.002","6.2961","0.0011","21.265","0.004","90","","94.306","0.005","90","","1733.5","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>)-3-Chloro-10,13-dimethyl-17-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0553","0.0419","","","0.0861","0.0896","","","","","","1.059","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021357","8.0097","0.0006","14.8313","0.0012","20.5873","0.0015","90","","90","","90","","2445.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-Chloro-10,13-dimethyl-17-[(<i>R</i>)-6-methylheptan-2-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C28 H45 Cl O -","- C28 H45 Cl O -","- C112 H180 Cl4 O4 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0568","0.0396","","","0.0798","0.0853","","","","","","1.035","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021358","7.0444","0.0003","10.8756","0.0006","30.491","0.0014","90","","90","","90","","2335.98","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-4-[(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-chloro-4-formyl-10,13-dimethyl-12-oxo-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]pentanoate","","- C26 H37 Cl O4 -","- C26 H37 Cl O4 -","- C104 H148 Cl4 O16 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0711","0.0475","","","0.0838","0.0902","","","","","","1.056","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021359","8.1685","0.0001","11.4832","0.0002","30.7638","0.0004","99.9705","0.0005","94.1047","0.0005","90.9084","0.0006","2833.62","0.07","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole hemihydrate","","- C34 H38 N4 O -","- C34 H38 N4 O -","- C136 H152 N16 O4 -","4","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0443","0.0396","","","0.1065","0.1119","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212107","2020-10-21","18:00:00",""
"2021360","13.095","0.003","9.2984","0.0019","23.685","0.005","90","","93.95","0.03","90","","2877.1","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole methanol hemisolvate","","- C17.5 H18 N2 O0.5 -","- C17.5 H18 N2 O0.5 -","- C140 H144 N16 O4 -","8","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54184","CuKα","","0.0613","0.0548","","","0.1481","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021361","5.56861","0.00009","18.0016","0.0003","17.1528","0.0003","90","","97.8415","0.0007","90","","1703.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5,6-Dimethyl-2-styryl-1<i>H</i>-benzo[<i>d</i>]imidazolium hydrogen oxalate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0355","0.0321","","","0.0876","0.0899","","","","","","1.053","","","","has coordinates,has Fobs","212107","2020-10-21","18:00:00",""
"2021362","8.538","0.001","5.283","0.001","32.801","0.004","90","","99.692","0.005","90","","1458.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[4-(Bromomethyl)phenyl][4-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0461","0.0392","","","0.0854","0.0875","","","","","","1.154","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021363","20.379","0.003","8.6401","0.001","9.8451","0.001","90","","114.797","0.002","90","","1573.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1,2-Bis[4-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C56 H40 Br16 N8 -","4","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0301","0.0239","","","0.0539","0.0556","","","","","","1.023","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021364","9.1219","0.0012","16.904","0.002","10.3633","0.0014","90","","112.122","0.002","90","","1480.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-[3-(Bromomethyl)phenyl][3-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0539","0.0408","","","0.098","0.1044","","","","","","1.03","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021365","4.899","0.002","8.294","0.002","9.942","0.003","98.103","0.004","103.64","0.003","96.65","0.003","384","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1,2-Bis[3-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","1","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0382","0.0327","","","0.0819","0.0847","","","","","","1.046","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021366","7.0161","0.0011","8.5634","0.0013","14.897","0.002","103.257","0.002","102.974","0.002","91.703","0.002","845.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-[3-(Dibromomethyl)phenyl][3-(tribromomethyl)phenyl]diazene","","- C14 H9 Br5 N2 -","- C14 H9 Br5 N2 -","- C28 H18 Br10 N4 -","2","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0674","0.0507","","","0.1287","0.1365","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","212108","2020-10-21","18:00:00",""
"2021367","4.6212","0.0001","12.5742","0.0004","19.3936","0.0006","90","","92.869","0.001","90","","1125.51","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Acetyl-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C10 H14 N2 O3 S -","- C10 H14 N2 O3 S -","- C40 H56 N8 O12 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0378","0.0295","","","0.0769","0.085","","","","","","1.051","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021368","4.914","0.0001","12.945","0.0003","9.763","0.0003","90","","103.474","0.001","90","","603.95","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Diethyl-5-propionyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C22 H32 N4 O6 S2 -","2","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.027","0.0265","","","0.0695","0.0703","","","","","","1.087","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021369","8.3816","0.0012","9.6258","0.0014","24.297","0.003","90","","90","","90","","1960.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl [1-(1,3-diethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate","","- C18 H29 N3 O5 S -","- C18 H29 N3 O5 S -","- C72 H116 N12 O20 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0303","0.0283","","","0.0688","0.0699","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","212130","2020-10-21","18:00:00",""
"2021370","4.8156","0.0002","21.7395","0.0007","15.1912","0.0005","90","","95.656","0.001","90","","1582.6","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-4,6-dioxo-2-thioxo-<i.N</i>-(<i>p</i>-tolyl)hexahydropyrimidine-5-carbothioamide","","- C16 H19 N3 O2 S2 -","- C16 H19 N3 O2 S2 -","- C64 H76 N12 O8 S8 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0395","0.0306","","","0.0732","0.0776","","","","","","1.041","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021371","12.8983","0.0004","9.8458","0.0003","18.2217","0.0006","90","","98.25","0.002","90","","2290.1","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(1-Aminoethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","2","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0399","0.0326","","","0.0832","0.0879","","","","","","1.026","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021372","4.9625","0.0003","10.6358","0.0007","23.2402","0.0015","90","","90","","90","","1226.62","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(1-Aminopropylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C44 H68 N12 O8 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0344","0.0323","","","0.0746","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021373","28.348","0.003","9.672","0.0009","7.5667","0.0008","90","","103.308","0.004","90","","2018.9","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzene-1,2-diaminium sulfate sesquihydrate","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0529","0.0434","","","0.1182","0.1253","","","","","","1.12","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2021374","5.7979","0.0019","9.866","0.004","15.421","0.006","90","","90","","90","","882.1","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Aminoanilinium perchlorate","","- C6 H9 Cl N2 O4 -","- C6 H9 Cl N2 O4 -","- C24 H36 Cl4 N8 O16 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0316","0.0292","","","0.0756","0.0771","","","","","","1.021","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021375","14.007","0.0011","11.6085","0.0009","7.2286","0.0005","90","","90","","90","","1175.37","0.15","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","benzene-1,3-diaminium tetrachloridozincate(II)","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C24 H40 Cl16 N8 Zn4 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKa","","0.0253","0.0236","","","0.0556","0.0566","","","","","","1.046","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021376","23.9306","0.0006","23.9322","0.0006","14.9917","0.0004","90","","113.485","0.0004","90","","7874.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetrakis(dimethylazanium) [tetrakis(μ~2~-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^)dizinc(II)]]","","- C32 H40 N4 O20 Zn2 -","- C32 H40 N4 O20 Zn2 -","- C256 H320 N32 O160 Zn16 -","8","1","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0824","0.0372","","","0.0628","0.0645","","","","","","1.098","","","","has coordinates,has Fobs","212132","2020-10-21","18:00:00",""
"2021377","9.2803","0.0003","15.1916","0.0005","17.7731","0.0006","90","","96.4221","0.0006","90","","2489.97","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(dimethylazanium) [bis(μ~4~-furan-2,5-dicarboxylato-κ<i>O</i>^2^:κ<i>O</i>^2'^:κ<i>O</i>^5^:κ<i>O</i>^5^)bis(μ~3~-furan-2,5-dicarboxylato-κ<i>O</i>^2^:κ<i>O</i>^2'^:κ<i>O</i>^5^)dizinc(II)] dimethylformamide 3.08-solvate]","","- C37.25 H45.6 N5.1 O23.1 Zn3 -","- C37.252 H45.588 N5.084 O23.084 Zn3 -","- C74.504 H91.176 N10.168 O46.168 Zn6 -","2","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0522","0.0476","","","0.1131","0.1148","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212132","2020-10-21","18:00:00",""
"2021378","8.1252","0.0003","11.7042","0.0004","13.734","0.0005","65.864","0.004","84.716","0.003","88.191","0.003","1186.82","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]-<i>trans</i>-dichlorido(quinoline-κ<i>N</i>)platinum(II)","","- C24 H27 Cl2 N O4 Pt -","- C24 H27 Cl2 N O4 Pt -","- C48 H54 Cl4 N2 O8 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0406","0.0359","","","0.0706","0.0729","","","","","","1.12","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021379","8.3447","0.0002","11.9191","0.0004","12.9315","0.0005","63.296","0.004","84.618","0.003","76.484","0.003","1117.08","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0218","0.0207","","","0.0476","0.0481","","","","","","1.085","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021380","9.7858","0.0003","11.0447","0.0002","11.8117","0.0003","85.059","0.002","73.685","0.003","71.139","0.002","1159.41","0.06","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","{η^2^-4-Allyl-2-methoxy-1-[(propan-2-yloxy)carbonylmethoxy]benzene}chlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0189","0.0174","","","0.0398","0.0406","","","","","","1.102","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021381","15.6457","0.0013","9.7291","0.0004","16.6062","0.0008","90","","111.15","0.008","90","","2357.5","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)platinum(II)","","- C25 H26 Cl N O6 Pt -","- C25 H26 Cl N O6 Pt -","- C100 H104 Cl4 N4 O24 Pt4 -","4","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and <i>in vitro</i> cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0528","0.0382","","","0.0775","0.0864","","","","","","1.075","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021382","9.6212","0.0005","13.4483","0.0007","19.7967","0.001","72.681","0.001","89.995","0.001","69.051","0.001","2267.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C112 H80 Cl8 N8 O8 -","8","4","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0425","0.0347","","","0.0931","0.0975","","","","","","1.086","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021383","12.7217","0.0008","4.8842","0.0003","19.9554","0.0014","90","","108.577","0.001","90","","1175.33","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.058","0.0409","","","0.1105","0.1213","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","212224","2020-10-21","18:00:00",""
"2021384","10.4274","0.0009","11.8586","0.001","9.1689","0.0008","90","","90.341","0.002","90","","1133.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0381","0.0344","","","0.0919","0.0937","","","","","","1.02","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021385","10.5605","0.0008","12.0485","0.0009","9.1939","0.0007","90","","89.288","0.002","90","","1169.72","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.054","0.0403","","","0.1015","0.1103","","","","","","0.934","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021386","11.1067","0.0007","13.3924","0.0008","8.0288","0.0005","90","","109.92","0.002","90","","1122.79","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0372","0.0322","","","0.0833","0.086","","","","","","1.021","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021387","11.1901","0.0002","13.6596","0.0003","8.0965","0.0002","90","","109.996","0.001","90","","1162.96","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0583","0.0447","","","0.1248","0.1313","","","","","","1.081","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021388","13.1008","0.0008","13.2084","0.0008","19.3147","0.0012","90","","90.701","0.002","90","","3342","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(3,4,5-trimethylimidazolium) di-μ~3~-iodido-tetra-μ~2~-iodido-decaiodidotetrabismuth(III)","","- C24 H44 Bi4 I16 N8 -","- C24 H44 Bi4 I16 N8 -","- C48 H88 Bi8 I32 N16 -","2","0.5","FN3280","Chen, Wei-Jun; Chu, Kai-Bin; Song, Jun-Ling","Low-dimensional bismuth(III) iodide hybrid material with high activity for the fast removal of rhodamine B","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016030","","","0.71073","MoKα","","0.0388","0.0287","","","0.0619","0.0673","","","","","","1.042","","","","has coordinates,has Fobs","212225","2020-10-21","18:00:00",""
"2021389","16.3612","0.0006","8.4646","0.0003","23.6668","0.0012","90","","108.718","0.005","90","","3104.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Hydroxy-<i>N</i>-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","2","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1121","0.059","","","0.1422","0.1598","","","","","","1.028","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021390","7.1048","0.0019","10.0882","0.0016","11.5171","0.0017","73.761","0.017","87.27","0.02","76.48","0.02","770.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-<i>N</i>-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1438","0.0881","","","0.2308","0.262","","","","","","1.016","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021391","30.5449","0.0013","14.2507","0.0005","48.6187","0.0017","90","","107.836","0.004","90","","20145.9","1.4","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C116 H90.6672 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C464 H362.669 As8 Cu32 Eu8 K8 N64 O470 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","x-ray","0.71073","MoKα","","0.1011","0.0635","","","0.1444","0.1739","","","","","","1.057","","","","has coordinates","212254","2020-10-21","18:00:00",""
"2021392","30.5038","0.0007","14.1439","0.0004","48.2029","0.0012","90","","108.131","0.003","90","","19764.2","0.9","190","20","190","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C464 H368 As8 Cu32 Gd8 K8 N64 O504 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0623","0.0449","","","0.092","0.1003","","","","","","1.081","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021393","30.4415","0.0007","14.0792","0.0003","48.0609","0.0014","90","","108.235","0.003","90","","19564.1","0.9","133","11","133","11","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C464 H368 As8 Cu32 K8 N64 O504 Tb8 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.067","0.0463","","","0.0897","0.0977","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021394","30.481","0.0006","14.104","0.0003","48.1783","0.0008","90","","108.247","0.002","90","","19670.6","0.7","134","12","134","12","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C464 H352 As8 Cu32 Dy8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0612","0.0461","","","0.0906","0.0963","","","","","","1.072","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021395","30.4802","0.0007","14.113","0.0003","48.116","0.0013","90","","108.169","0.003","90","","19665.9","0.9","172","60","172","60","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C464 H376 As8 Cu32 Ho8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0768","0.0474","","","0.0948","0.1057","","","","","","1.022","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021396","30.581","0.002","14.1638","0.0006","48.299","0.003","90","","108.273","0.007","90","","19865","2","140","20","140","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C464 H348 As8 Cu32 Er8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.1765","0.0872","","","0.1424","0.1832","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021397","6.6714","0.0005","7.3296","0.0008","12.987","0.0009","90.425","0.007","96.907","0.006","114.347","0.009","573.23","0.1","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒phthalic acid (1/1)","Pyrazine‒benzene-1,2-dicarboxylic acid (1/1)","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","YP3167","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0411","0.0359","","","0.0865","0.091","","","","","","1.057","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021398","7.7184","0.0009","9.9393","0.001","10.03","0.001","115.029","0.01","112.471","0.01","92.672","0.009","624","0.15","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid (1/1)","Pyrazine‒benzene-1,2,3-tricarboxylic acid (1/1)","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0862","0.092","","","","","","1.041","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021399","6.6537","0.0008","8.3316","0.0011","11.5433","0.0015","73.1","0.012","75.565","0.011","73.001","0.011","576.01","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid‒water (1/2/2)","Pyrazine‒benzene-1,2,3-tricarboxylic acid‒water (1/2/2)","","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","1","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0642","0.0526","","","0.1448","0.1601","","","","","","1.036","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021400","7.0481","0.0007","22.365","0.002","7.212","0.0007","90","","96.967","0.009","90","","1128.44","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine‒pyromellitic acid (3/1)","Pyrazine‒benzene-1,2,4,5-tetracarboxylic acid (3/1)","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0552","0.0406","","","0.0913","0.1028","","","","","","1.022","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021401","13.3054","0.0004","18.0281","0.0006","22.4544","0.0005","91.09","0.002","92.169","0.002","108.155","0.003","5111.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dodecasodium acetato(arsenotungstato)triaquacarbonato(ditungstato)sodiumdiyttrium dodecahyrate","","- C3 As2 Na12 O113 W20 Y2 -","- C3 As2 Na12 O113 W20 Y2 -","- C6 As4 Na24 O226 W40 Y4 -","2","1","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","","0.71073","MoKα","","0.1066","0.063","","","0.1052","0.1216","","","","","","1.021","","","","has coordinates","218928","2020-10-21","18:00:00",""
"2021402","23.3948","0.0006","24.5658","0.0005","18.6887","0.0005","90","","110.869","0.003","90","","10036","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diyttrium tripotassium tetrasodium triaquacarbonato(germanotungstato)triyttrium nonadecahydrate","","- C Ge2 K3 Na4 O95 W18 Y5 -","- C Ge2 K3 Na4 O95 W18 Y5 -","- C4 Ge8 K12 Na16 O380 W72 Y20 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0894","0.0935","","","","","","1.091","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021403","22.2367","0.0006","22.6726","0.0005","20.1786","0.0005","90","","111.037","0.003","90","","9495.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ytterbium octapotassiumdisodium triaquacarbonato(germanotungstato)triyttrium hexadecahydrate","","- C Ge2 K8 Na O93 W18 Yb4 -","- C Ge2 K8 Na O93 W18 Yb4 -","- C4 Ge8 K32 Na4 O372 W72 Yb16 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0551","0.0432","","","0.1049","0.111","","","","","","1.038","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021673","5.723","0.006","27.11","0.03","10.984","0.012","90","","89.55","0.03","90","","1704","3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3-phenylprop-2-yn-1-ylidene)cyclopentanone","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1941","0.0841","","","0.154","0.1914","","","","","","1.031","","","","has coordinates,has Fobs","216069","2020-10-21","18:00:00",""
"2021674","7.098","0.003","42.72","0.02","6.135","0.003","90","","90","","90","","1860.3","1.5","120","","120","","","","","","","","","4","A e m 2","A 2 -2b","39","","2,5-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclopentanone","","- C23 H14 Br2 O -","- C23 H14 Br2 O -","- C92 H56 Br8 O4 -","4","0.5","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0966","0.0635","","","0.1478","0.1649","","","","","","0.969","","","","has coordinates,has Fobs","216070","2020-10-21","18:00:00",""
"2021675","5.498","0.004","27.52","0.02","13.885","0.009","90","","124.09","0.03","90","","1740","2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.2024","0.0853","","","0.1075","0.1306","","","","","","1.018","","","","has coordinates,has Fobs","216071","2020-10-21","18:00:00",""
"2021676","12.006","0.002","5.2243","0.001","31.998","0.006","90","","90","","90","","2007","0.6","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,6-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C24 H16 Br2 O -","- C24 H16 Br2 O -","- C96 H64 Br8 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1172","0.0792","","","0.2035","0.2584","","","","","","1.002","","","","has coordinates,has Fobs","216072","2020-10-21","18:00:00",""
"2021677","12.9422","0.0014","6.9614","0.0007","24.721","0.003","90","","97.732","0.002","90","","2207","0.4","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-<i>tert</i>-Butyl-2,6-bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C28 H25 O -","- C28 H25 O -","- C112 H100 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1945","0.0779","","","0.1398","0.163","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","216073","2020-10-21","18:00:00",""
"2021678","6.401","0.0013","21.35","0.004","18.19","0.004","90","","94.83","0.03","90","","2477","0.9","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","4-<i>tert</i>-Butyl-2,6-bis[3-(4-methylphenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C30 H30 O -","- C30 H30 O -","- C120 H120 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.21","0.1396","","","0.3023","0.3392","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","216074","2020-10-21","18:00:00",""
"2021679","9.5892","0.0019","10.145","0.002","30.08","0.006","90","","90","","90","","2926.3","1","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-(Furan-2-ylmethylene)-6-(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1374","0.0948","","","0.2136","0.2496","","","","","","1.011","","","","has coordinates,has Fobs","216075","2020-10-21","18:00:00",""
"2021680","9.2801","0.0014","9.5498","0.0014","9.6407","0.0014","84.218","0.003","70.882","0.003","66.632","0.003","740.63","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","6-(3-Butylprop-2-yn-1-ylidene)-2-(furan-2-ylmethylene)cyclohexanone","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0903","0.0577","","","0.1249","0.139","","","","","","1.033","","","","has coordinates,has Fobs","216076","2020-10-21","18:00:00",""
"2021759","12.28767","0.00011","13.972","0.00018","3.93043","0.00004","90","","90","","90","","674.789","0.013","293","2","293","2","","","","","","","synthesis","3","P b a 2","P 2 -2ab","32","divanillin","6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbaldehyde","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","0.5","SK3715","Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun","Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin","Acta Crystallographica, Section C","2018","74","12","1768","1773","10.1107/S2053229618016200","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","","2.3","","","","","","","has coordinates","217822","2020-10-21","18:00:00",""
"2021806","8.8215","0.0006","15.0094","0.001","16.6719","0.0012","90","","95.666","0.004","90","","2196.7","0.3","180","0.5","180","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0619","0.0503","","","0.1315","0.1413","","","","","","1.022","","","","has coordinates","223399","2020-10-21","18:00:00",""
"2021807","8.8624","0.0002","15.0884","0.0003","16.7029","0.0004","90","","95.302","0.002","90","","2223.95","0.09","299","1","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","1.54184","CuKα","","0.0945","0.0879","","","0.2618","0.2702","","","","","","1.1","","","","has coordinates","223400","2020-10-21","18:00:00",""
"2021808","4.354","0.003","23.381","0.014","15.8","0.01","90","","97.096","0.006","90","","1596.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.0664","0.0523","","","0.1274","0.1378","","","","","","1.095","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021809","19.861","0.009","5.16","0.002","16.451","0.008","90","","109.589","0.008","90","","1588.4","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.1154","0.066","","","0.1346","0.1573","","","","","","1.053","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021810","18.644","0.002","18.646","0.002","26.106","0.003","90","","107.16","0.001","90","","8671.4","1.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[tetrakis(μ~4~-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ^5^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)tetrakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tetrakis(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)hexacadmium(II)]","","- C76 H60 Cd6 F8 N16 O20 -","- C76 H60 Cd6 F8 N16 O20 -","- C304 H240 Cd24 F32 N64 O80 -","4","1","YF3133","Zhang, Yuchi; Wu, Yuanhua; He, Xin; Ma, Junhan; Shen, Xuan; Zhu, Dunru","Topological identification of the first uninodal 8-connected lsz MOF built from 2,2'-difluorobiphenyl-4,4'-dicarboxylate pillars and cadmium(II)‒triazolate layers","Acta Crystallographica Section C","2018","74","3","256","262","10.1107/S2053229618001432","","","0.71073","MoKα","","0.0477","0.0465","","","0.1088","0.1095","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","227649","2020-10-21","18:00:00",""
"2021811","11.75455","0.00034","8.57201","0.00031","14.5155","0.0005","84.16","0.014","90","","90","","1454.99","0.09","100","","100","","","","","","","","","4","P c 1 1","P -2xc","7","paracetamol formIII-m","<i>N</i>-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04111","","5.99","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021812","11.8376","0.00029","8.5688","0.0003","14.81837","0.00016","90","","90","","90","","1503.09","0.07","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","paracetamol formIII","<i>N</i>-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.039","","4.69","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021914","4.101","0.002","11.892","0.007","13.092","0.008","93.491","0.009","97.769","0.01","90.28","0.01","631.4","0.6","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","","0.71073","MoKα","","0.0509","0.0443","","","0.1155","0.1218","","","","","","1.049","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021915","4.7832","0.0007","11.6783","0.0017","21.859","0.003","90","","93.999","0.002","90","","1218.1","0.3","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0583","0.0489","","","0.1233","0.131","","","","","","1.075","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021916","9.9374","0.0005","14.3212","0.0006","18.2929","0.0011","72.196","0.004","81.185","0.005","82.068","0.004","2437.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O6 -","- C26 H28 N4 O6 -","- C104 H112 N16 O24 -","4","2","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","1.54184","CuKα","","0.0617","0.0482","","","0.1233","0.1346","","","","","","1.039","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021917","8.881","0.002","6.0754","0.0016","11.995","0.003","90","","91.021","0.004","90","","647.1","0.3","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C26 H26 N6 O8 -","2","1","EB5067","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0645","0.0499","","","0.1161","0.1256","","","","","","1.041","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021918","11.9565","0.001","5.7973","0.0005","20.2355","0.0016","90","","96.805","0.001","90","","1392.8","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Mishra, Risha; Pallepogu, Raghavaiah","Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","1","32","","10.1107/S2052520617014299","","x-ray","0.71073","MoKα","","0.0463","0.0372","","","0.0961","0.1025","","","","","","1.032","","","","has coordinates","246118","2020-10-21","18:00:00",""
"2021924","28.7121","0.0003","28.7121","0.0003","28.7121","0.0003","90","","90","","90","","23669.8","0.4","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C18 H33 Eu5 O18 -","- C18 H33 Eu5 O18 -","- C576 H1056 Eu160 O576 -","32","0.333333","","Abdallah, Amal; Ammar, Souad; Ban, Voraksmy; Sibille, Romain; Francois, Michel","Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2018","74","6","592","","10.1107/S2052520618012982","powder diffraction","","0.776651","Synchrotron","","","","","","","","","0.076","68.1","","","","","","","has coordinates","246245","2020-10-21","18:00:00",""
"2022633","9.5119","0.0003","9.6885","0.0004","21.8439","0.0008","90","","90","","90","","2013.05","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2-Chloro-<i>N</i>-(<i>p</i>-tolyl)propanamide","2-Chloro-<i>N</i>-(4-methylphenyl)propanamide","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","1.54178","CuKα","","0.039","0.0382","","","0.1026","0.1034","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","276693","2022-07-06","21:28:09",""
"2022634","9.5053","0.0006","9.6793","0.0005","21.838","0.0013","90","","90","","90","","2009.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C80 H96 Cl8 N8 O8 -","8","1","DS2252","Jones, Roderick C.; Twamley, Brendan","Structure of 2-chloro-N-(p-tolyl)propanamide","Acta Crystallographica, Section E: Crystallographic Communications","2018","74","11","1584","1588","10.1107/s2056989018013889","","x-ray","0.71073","MoKα","","0.0517","0.0371","","","0.0821","0.0889","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","276694","2022-07-06","21:28:21",""
"2108155","5.6052","0.0003","8.5753","0.0004","22.881","0.001","90","","90","","90","","1099.8","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay","X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal","Acta Crystallographica Section B","2018","74","1","12","23","10.1107/S2052520617013038","","","0.71073","MoKα","","0.1038","0.0542","","","0.0912","0.1127","","","","","","1.042","","","","has coordinates","206143","2020-10-21","18:00:00",""
"2108156","2.93172","0.00016","11.8414","0.0006","8.6047","0.0004","90","","90","","90","","298.72","0.03","293","1","293","1","","","","","","","","4","C m c m","-C 2c 2","63","cesbronite","","","- Cu3 H4 O8 Te -","- Cu2.982 O8 Te1.018 -","- Cu5.964 O16 Te2.036 -","2","0.125","","Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J.","The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology","Acta Crystallographica Section B","2018","74","1","24","31","10.1107/S205252061701647X","","","0.71073","MoKα","","0.0436","0.0321","","","0.0663","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","206144","2020-10-21","18:00:00",""
"2108157","6.912","0.005","6.993","0.005","9.656","0.005","101.858","0.005","102.627","0.005","100.669","0.005","432.6","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Potassium dimanganese trivanadate","Potassium dimanganese trivanadate","","- K Mn2 O10 V3 -","- K Mn2 O10 V3 -","- K2 Mn4 O20 V6 -","2","1","","Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander","A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties","Acta Crystallographica Section B","2018","74","1","97","103","10.1107/S205252061701811X","","","0.71073","MoKα","","0.0272","0.024","","","0.0591","0.0612","","","","","","1.113","","","","has coordinates,has Fobs","206145","2020-10-21","18:00:00",""
"2108210","9.507","0.002","7.9958","0.0017","43.262","0.009","90","","90","","90","","3288.6","1.2","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H16 Cl N3 O2 -","- C18 H16 Cl N3 O2 -","- C144 H128 Cl8 N24 O16 -","8","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0539","0.0384","","","0.0914","0.106","","","","","","1.123","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108211","9.304","0.004","15.756","0.008","15.829","0.007","94.54","0.02","93.95","0.02","104.56","0.02","2229.4","1.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H54 N6 O13 -","- C49 H54 N6 O13 -","- C98 H108 N12 O26 -","2","1","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.1404","0.0645","","","0.1493","0.1981","","","","","","1.021","","","","has coordinates,has Fobs","206006","2020-10-21","18:00:00",""
"2108212","10.145","0.004","18.472","0.007","9.421","0.003","90","","91.423","0.019","90","","1764.9","1.1","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N6 O8 -","- C40 H36 N6 O8 -","- C80 H72 N12 O16 -","2","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0882","0.0474","","","0.1088","0.1311","","","","","","1.026","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2108213","7.889","0.004","9.157","0.004","14.832","0.007","86.153","0.019","83.38","0.02","69.517","0.018","996.6","0.8","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 N6 O8 -","- C44 H44 N6 O8 -","- C44 H44 N6 O8 -","1","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0832","0.049","","","0.1235","0.151","","","","","","1.069","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108214","7.5496","0.0016","16.434","0.004","17.094","0.004","90","","93.547","0.012","90","","2116.8","0.8","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N6 O8 -","- C48 H52 N6 O8 -","- C96 H104 N12 O16 -","2","0.5","","Perera, Manomi D.; Sinha, Abhijeet S.; Aakeröy, Christer B.","Using structural mimics for accessing and exploring structural landscapes of poorly soluble molecular solids","Acta Crystallographica Section B","2018","74","1","42","48","10.1107/S2052520617017371","","","0.71073","MoKα","","0.0977","0.0571","","","0.1368","0.1577","","","","","","1.034","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2108215","11.6446","0.0002","11.6446","0.0002","11.6548","0.0002","90","","90","","90","","1580.35","0.05","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Al16 F4.77 Mn24 O91.23 Si20.61 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","- Al16 F4.8 Mn24 O91.2 Si20.88 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0387","0.029","","","0.0743","0.0774","","","","","","1.232","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2108216","12.4908","0.0002","12.4908","0.0002","11.9092","0.0002","90","","90","","90","","1858.07","0.05","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.19 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","- Al0.48 Ca24 H32 Mn15.52 O96 Si16.16 -","1","0.03125","","Antao, Sytle M.; Cruickshank, Laura A.","Crystal structure refinements of tetragonal (OH,F)-rich spessartine and henritermierite garnets","Acta Crystallographica Section B","2018","74","1","104","114","10.1107/S2052520617018248","","x-ray","0.71073","MoKα","","0.0227","0.0204","","","0.0428","0.0432","","","","","","1.209","","","","has coordinates,has Fobs","206007","2020-10-21","18:00:00",""
"2108217","9.5161","0.0001","9.5161","0.0001","7.5441","0.0001","90","","90","","120","","591.638","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B4 Bi0.056 Fe3 O12 Y0.944 -","- B12 Bi0.168 Fe9 O36 Y2.832 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0258","0.0181","","","0.0138","0.014","","","","1.14","1.14","0.98","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108218","9.5191","0.0001","9.5191","0.0001","7.5517","0.0001","90","","90","","120","","592.607","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0535 Fe3 O12 Y0.9465 -","- B12 Bi0.1605 Fe9 O36 Y2.8395 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0505","0.0195","","","0.0125","0.0141","","","","0.85","0.85","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108219","9.5261","0.0001","9.5261","0.0001","7.5589","0.0001","90","","90","","120","","594.045","0.012","350","","350","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0539 Fe3 O12 Y0.9461 -","- B12 Bi0.1617 Fe9 O36 Y2.8383 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0652","0.0197","","","0.0137","0.0159","","","","0.96","0.96","0.7","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108220","9.5194","0.0001","9.5194","0.0001","7.5552","0.0001","90","","90","","120","","592.92","0.012","360","","360","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0584","0.0182","","","0.0136","0.0147","","","","1.01","1.01","0.67","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108221","9.5259","0.0001","9.5259","0.0001","7.5624","0.0001","90","","90","","120","","594.295","0.012","365","","365","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0696","0.0179","","","0.0124","0.0146","","","","0.96","0.96","0.68","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108222","9.5245","0.0001","9.5245","0.0001","7.557","0.0001","90","","90","","120","","593.696","0.012","370","","370","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0534 Fe3 O12 Y0.9466 -","- B12 Bi0.1602 Fe9 O36 Y2.8398 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.072","0.0174","","","0.0123","0.0136","","","","0.98","0.98","0.61","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108223","9.5272","0.0001","9.5272","0.0001","7.5618","0.0001","90","","90","","120","","594.41","0.012","375","","375","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.0499 Fe3 O12 Y0.9501 -","- B12 Bi0.1497 Fe9 O36 Y2.8503 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0193","0.0166","","","0.0122","0.0124","","","","1.04","1.04","0.99","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108224","9.5265","0.0001","9.5265","0.0001","7.5561","0.0001","90","","90","","120","","593.875","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.051 Fe3 O12 Y0.949 -","- B4 Bi0.0509 Fe3 O12 Y0.9491 -","- B12 Bi0.1527 Fe9 O36 Y2.8473 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0201","0.0173","","","0.0118","0.012","","","","0.95","0.95","0.91","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108225","9.5321","0.0001","9.5321","0.0001","7.5627","0.0001","90","","90","","120","","595.093","0.012","430","","430","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.053 Fe3 O12 Y0.947 -","- B4 Bi0.0488 Fe3 O12 Y0.9512 -","- B12 Bi0.1464 Fe9 O36 Y2.8536 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0202","0.017","","","0.0134","0.0136","","","","1.08","1.08","1.01","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108226","9.5394","0.0001","9.5394","0.0001","7.5765","0.0001","90","","90","","120","","597.092","0.012","500","0.2","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.054 Fe3 O12 Y0.946 -","- B4 Bi0.0543 Fe3 O12 Y0.9457 -","- B12 Bi0.1629 Fe9 O36 Y2.8371 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.71073","MoKα","","0.0253","0.0194","","","0.0136","0.014","","","","1.04","1.04","0.97","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108227","9.5131","0.0001","9.5131","0.0001","7.5396","0.0001","90","","90","","120","","590.912","0.012","90","","90","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B4 Bi0.05 Fe3 O12 Y0.95 -","- B12 Bi0.15 Fe9 O36 Y2.85 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0219","0.0218","","","0.0297","0.0299","","","","1.32","1.32","1.32","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108228","9.5217","0.0001","9.5217","0.0001","7.5547","0.0001","90","","90","","120","","593.167","0.012","295","","295","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B4 Bi0.058 Fe3 O12 Y0.942 -","- B12 Bi0.174 Fe9 O36 Y2.826 -","3","0.5","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0131","0.013","","","0.0207","0.0209","","","","1.09","1.09","1.1","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108229","9.5282","0.0001","9.5282","0.0001","7.5609","0.0001","90","","90","","120","","594.464","0.012","380","","380","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B4 Bi0.047 Fe3 O12 Y0.953 -","- B12 Bi0.141 Fe9 O36 Y2.859 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.012","0.012","","","0.0173","0.0173","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108230","9.5254","0.0001","9.5254","0.0001","7.5674","0.0001","90","","90","","120","","594.626","0.012","500","","500","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B4 Bi0.042 Fe3 O12 Y0.958 -","- B12 Bi0.126 Fe9 O36 Y2.874 -","3","0.166667","","Smirnova, Ekaterina S.; Alekseeva, Olga A.; Dudka, Alexander P.; Artemov, Vladimir V.; Zubavichus, Yan V.; Gudim, Irina A.; Bezmaterhykh, Leonard N.; Frolov, Kirill V.; Lyubutin, Igor S.","Crystal structure, phase transition and structural deformations in iron borate (Y~0.95~Bi~0.05~)Fe~3~(BO~3~)~4~ in the temperature range 90‒500K","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618002962","","x-ray","0.6742","Synchrotron","","0.0102","0.0102","","","0.0163","0.0163","","","","1.03","1.03","1.03","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2108231","5.2475","0.0001","5.2475","0.0001","23.6795","0.0007","90","","90","","120","","564.69","0.02","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C2 H2 O8 Pb3 -","- C2 O8 Pb3.0002 -","- C6 O24 Pb9.0006 -","3","0.0833333","PS5067","Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618000768","","","0.71073","MoKα","","0.0211","0.0208","","","0.0554","0.0557","","","","","","1.178","","","","has coordinates,has Fobs","207152","2020-10-21","18:00:00",""
"2108232","5.257","0.003","5.257","0.003","23.636","0.015","90","","90","","120","","565.7","0.6","296","2","150","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C0.67 H0.67 O2.67 Pb -","- C2 O8 Pb3.0002 -","- C6 O24 Pb9.0006 -","3","0.0833333","","Siidra, Oleg; Nekrasova, Diana; Depmeier, Wulf; Chukanov, Nikita; Zaitsev, Anatoly; Turner, Rick","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618000768","","","0.71073","MoKα","","0.0377","0.0296","","","0.0624","0.0651","","","","","","1.171","","","","has coordinates,has Fobs","207152","2020-10-21","18:00:00",""
"2108233","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0707","0.0633","","","0.2027","0.2123","","","","1.4","1.4","1.4","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108234","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8.0005 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64.004 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0622","0.0553","","","0.1849","0.194","","","","1.28","1.28","1.28","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108235","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0813","0.0751","","","0.254","0.2596","","","","1.95","1.95","1.92","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108236","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8.0005 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64.004 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0736","0.0675","","","0.2388","0.2443","","","","1.83","1.83","1.81","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108237","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0682","0.0604","","","0.2058","0.2158","","","","1.42","1.42","1.42","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108238","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","neutron","","neutron","","0.0531","0.046","","","0.1739","0.1836","","","","1.2","1.2","1.21","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108239","8.1618","0.0001","12.8632","0.0002","14.1898","0.0002","93.5211","0.0015","116.117","0.0011","90.5754","0.0009","1333.97","0.03","100","","100","","","","","","","","Lake Co., Oregon","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.67 Ca0.67 Na0.33 O8 Si2.33 -","- Al1.67 Ca0.67 Na0.33 O8 Si2.32995 -","- Al13.36 Ca5.36 Na2.64 O64 Si18.6396 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.041","0.0334","","","0.1105","0.114","","","","1.97","1.97","1.8","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108240","8.1635","0.0002","12.8615","0.0002","14.1936","0.0003","93.5104","0.0019","116.124","0.002","90.5297","0.0013","1334.41","0.05","100","","100","","","","","","","","Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al1.66 Ca0.66 Na0.34 O8 Si2.34 -","- Al13.28 Ca5.28 Na2.72 O64 Si18.72 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0473","0.0399","","","0.1239","0.1262","","","","2.26","2.26","2.05","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108241","8.1652","0.0001","12.8633","0.0001","14.1832","0.0001","93.4685","0.001","116.073","0.0011","90.73","0.0007","1334.35","0.03","100","","100","","","","","","","","Split Rock, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.25 O8 Si2.24995 -","- Al14 Ca6 Na2 O64 Si17.9996 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0361","0.03","","","0.0941","0.0971","","","","1.69","1.69","1.54","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108242","8.1662","0.0001","12.868","0.0001","14.1927","0.0001","93.4772","0.001","116.143","0.001","90.6664","0.0006","1335.14","0.02","100","","100","","","","","","","","Crystal Bay, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.74995 Ca0.75005 Na0.25005 O8 Si2.25005 -","- Al13.9996 Ca6.0004 Na2.0004 O64 Si18.0004 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0295","0.0268","","","0.099","0.1003","","","","2.06","2.06","1.96","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108243","8.172","0.0003","12.8675","0.0002","14.189","0.0001","93.4437","0.0013","116.073","0.002","90.649","0.002","1336.58","0.06","293","","100","","","","","","","","Crystal Bay, Lake Superior, Minnesota","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","bytownite","- Al1.75 Ca0.75 Na0.25 O8 Si2.25 -","- Al1.75 Ca0.75 Na0.24995 O8 Si2.25 -","- Al14 Ca6 Na1.9996 O64 Si18 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0295","0.0257","","","0.0913","0.0927","","","","1.78","1.78","1.65","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108244","8.1602","0.0001","12.8612","0.0001","14.1975","0.0001","93.5348","0.0011","116.118","0.0011","90.4334","0.0008","1334.33","0.03","100","","100","","","","","","","","Mexico","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","","","labradorite","- Al1.6 Ca0.6 Na0.4 O8 Si2.4 -","- Al3.866 Ca0.789 O8 -","- Al30.928 Ca6.312 O64 -","8","","DK5063","Jin, Shiyun; Wang, Xiaoping; Xu, Huifang","Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618003219","","x-ray","0.71073","MoKα","","0.0497","0.0273","","","0.0804","0.0883","","","","1.63","1.63","1.27","","","","has coordinates,has Fobs","207153","2020-10-21","18:00:00",""
"2108245","8.3553","0.0005","15.4882","0.0009","8.8208","0.0006","90","","91.899","0.004","90","","1140.86","0.12","293.15","","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- B4 Er6 O15 -","- B3 Er6 O15 -","- B12 Er24 O60 -","4","1","","Wang, Yan; Zhang, Wei; Li, Ziyi; Li, Jianfu; Zhu, Zhaojie; You, Zhenyu; Tu, Chaoyang","Crystal growth, structure and characterization of Er~6~B~4~O~15~ as self-activated eye-safe laser material within the near-infrared waveband","Acta Crystallographica Section B","2018","74","2","","","10.1107/S2052520618001488","","","0.71073","MoKα","","0.062","0.053","","","0.1288","0.1371","","","","","","1.044","","","","has coordinates,has Fobs","207154","2020-10-21","18:00:00",""
"2108246","13.3772","0.0002","13.3772","0.0002","13.3772","0.0002","90","","90","","90","","2393.84","0.06","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","potassium zinc silicon oxide","","","- K2 O12 Si5 Zn -","- K2 O11.9998 Si4.99968 Zn1.0002 -","- K16 O95.9981 Si39.9974 Zn8.0016 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","8.3117","1.2673","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108247","13.5635","0.0003","13.5635","0.0003","13.5635","0.0003","90","","90","","90","","2495.26","0.1","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","rubidium manganese silicon oxide","","","- Mn O12 Rb2 Si5 -","- Mn1.0002 O11.9998 Rb2 Si4.99968 -","- Mn8.0016 O95.9981 Rb16 Si39.9974 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","8.9738","1.1962","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108248","13.2574","0.0005","13.6739","0.0006","12.924","0.0005","90","","93.048","0.003","90","","2339.55","0.16","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium iron silicon oxide","","","- Fe K2 O12 Si5 -","- Fe K2 O12 Si5 -","- Fe8 K16 O96 Si40 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","6.9441","1.3541","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108249","13.1773","0.0002","13.6106","0.0002","13.02481","0.0002","90","","91.6981","0.0009","90","","2334.99","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium zinc silicon oxide","","","- K2 O12 Si5 Zn -","- K2 O12 Si5 Zn -","- K16 O96 Si40 Zn8 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.5418","CuKα","","","","","","","","","3.3852","4.1009","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108250","13.18783","0.00014","13.63495","0.00016","12.98764","0.00014","90","","91.9994","0.0008","90","","2333.96","0.04","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium cobalt silicon oxide","","","- Co K2 O12 Si5 -","- Co K2 O12 Si5 -","- Co8 K16 O96 Si40 -","8","2","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.79026","CoKα","","","","","","","","","6.6909","2.6259","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108251","13.3767","0.0003","13.3767","0.0003","13.3767","0.0003","90","","90","","90","","2393.57","0.09","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","potassium cobalt silicon oxide","","","- Co K2 O12 Si5 -","- Co1.0002 K2 O11.9998 Si4.99968 -","- Co8.0016 K16 O95.9981 Si39.9974 -","8","0.0833333","PS5069","Bell, Anthony M. T.; Henderson, C. Michael B.","Crystal structures of K~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Fe^2+^, Co, Zn) and Rb~2~[<i>X</i>Si~5~O~12~] (<i>X</i> = Mn) leucites: comparison of monoclinic <i>P</i>2~1~/<i>c</i> and <i>Ia</i>{øverline 3}<i>d</i> polymorph structures and inverse relationship between tetrahedral cation (<i>T</i> = Si and <i>X</i>)—O bond distances and intertetrahedral <i>T</i>—O—<i>T</i> angles","Acta Crystallographica Section B","2018","74","3","","","10.1107/S2052520618004092","powder diffraction","","1.79026","CoKα","","","","","","","","","8.1583","1.1548","","","","","","","has coordinates,has Fobs","207633","2020-10-21","18:00:00",""
"2108252","5.4345","0.0012","16.4324","0.0012","5.4558","0.0012","90","","90","","90","","487.21","0.16","296","","296","","","","","","","","Synthetic","3","P c a 21","P 2c -2ac","29","Bismuth tungstate","","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","1","","Okudera, Hiroki; Sakai, Yuka; Yamagata, Kentaro; Takeda, Hiroaki","Structure of russellite (Bi~2~WO~6~): origin of ferroelectricity and the effect of the stereoactive lone electron pair on the structure","Acta Crystallographica Section B","2018","74","3","295","303","10.1107/S2052520618006133","powder diffraction","","0.71069","Mo-Kα","","","0.0168","","","","0.0204","","","","","","0.5164","","","","has coordinates,has Fobs","208047","2020-10-21","18:00:00",""
"2108253","5.341","0.003","13.536","0.006","21.406","0.008","90","","90","","90","","1547.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Val-L-Leu","(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-4-methyl-pentanoic acid acetonitrile solvate","","- C13 H25 N3 O3 -","- C13 H25 N3 O3 -","- C52 H100 N12 O12 -","4","1","","Görbitz, Carl Henrik","Hydrophobic dipeptides: the final piece in the puzzle","Acta Crystallographica Section B","2018","74","3","311","318","10.1107/S2052520618007151","","","0.71073","MoKα","","0.1615","0.0816","","","0.1576","0.1837","","","","","","1.014","","","","has coordinates,has Fobs","208048","2020-10-21","18:00:00",""
"2108254","54.631","0.003","8.004","0.0002","6.5754","0.0003","90","","90","","90","","2875.2","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,6-tris((E)-2-(4-(dimethylamino)phenyl)ethenyl)-1,3,5-triazine","","- C33 H36 N6 -","- C33 H36 N6 -","- C132 H144 N24 -","4","1","","Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till","Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction","Acta Crystallographica Section B","2018","74","3","287","294","10.1107/S2052520618006686","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.965782","1.2092","","","","","","","has coordinates","208049","2020-10-21","18:00:00",""
"2108255","8.7198","0.0002","20.996","0.008","10.9186","0.0003","90","","94.357","0.002","90","","1993.2","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pridinol mesylate","1,1-Di\#173;phenyl-3-piperidino-1-propanol, methanesulfonate.","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate","Acta Crystallographica Section B","2018","74","3","304","310","10.1107/S2052520618007023","","","0.71073","MoKα","","0.0652","0.0453","","","0.106","0.1171","","","","","","1.037","","","","has coordinates,has Fobs","208050","2020-10-21","18:00:00",""
"2108256","8.2086","0.0002","17.9355","0.0006","15.0983","0.0005","90","","94.77","0.002","90","","2215.15","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pridinol mesylate hydrate","1,1-Di\#173;phenyl-3-piperidino-1-propanol, methanesulfonate, hydrate.","","- C21 H31 N O5 S -","- C21 H31 N O5 S -","- C84 H124 N4 O20 S4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Vega, Daniel Roberto","A crystallographic and thermal study of pridinol mesylate and its monohydrated solvate","Acta Crystallographica Section B","2018","74","3","304","310","10.1107/S2052520618007023","","","0.71073","MoKα","","0.0737","0.0511","","","0.1163","0.133","","","","","","1.03","","","","has coordinates,has Fobs","208050","2020-10-21","18:00:00",""
"2108257","8.6448","0.0017","9.026","0.0018","10.773","0.002","93.169","0.005","100.097","0.004","99.996","0.004","811.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Fe N2 O7 -","- C14 H15 Fe N2 O7 -","- C28 H30 Fe2 N4 O14 -","2","1","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","","","0.71073","MoKα","","0.0358","0.0299","","","0.0718","0.0752","","","","","","1.049","","","","has coordinates,has Fobs","208648","2020-10-21","18:00:00",""
"2108258","13.2415","0.0013","13.2415","0.0013","14.9977","0.0017","90","","90","","90","","2629.7","0.5","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C48 H40 Fe4 N4 O24 -","- C48 H40 Fe4 N4 O24 -","- C96 H80 Fe8 N8 O48 -","2","0.25","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","powder diffraction","","0.71073","MoKα","","0.0369","0.0294","","","0.0637","0.067","","","","","","1.039","","","","has coordinates,has Fobs","288502","2023-12-22","13:28:23",""
"2108259","14.5961","0.0007","14.7434","0.0008","15.214","0.0008","112.713","0.001","106.08","0.001","105.946","0.001","2619.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Fe4 N4 O24 -","- C48 H40 Fe4 N4 O24 -","- C96 H80 Fe8 N8 O48 -","2","1","","Zacharias, Savannah C.; Ramon, Gaëlle; Bourne, Susan A.","Control of crystal structure using temperature and time","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007795","powder diffraction","","0.71073","MoKα","","0.103","0.0485","","","0.0998","0.1203","","","","","","1.007","","","","has coordinates,has Fobs","208648","2020-10-21","18:00:00",""
"2108260","7.1015","0.0012","11.7489","0.0017","8.1954","0.0014","90","","98.087","0.014","90","","676.98","0.19","295.9","0.7","295.9","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- Cu0.184 F3 H8 Mg0.816 O12 U3 -","- Cu0.184 F3 Mg0.816 O12 U3 -","- Cu0.368 F6 Mg1.632 O24 U6 -","2","0.5","","Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří","Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007321","","x-ray","0.71073","MoKα","","0.0551","0.0369","","","0.0757","0.088","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","208715","2020-10-21","18:00:00",""
"2108261","6.1147","0.0004","7.9668","0.0005","19.4856","0.0013","90","","90","","90","","949.23","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N -","- C12 H13 N -","- C48 H52 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0926","0.0557","","","0.1253","0.1423","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108262","8.7856","0.0008","11.6453","0.001","10.6401","0.0011","90","","90.47","0.004","90","","1088.56","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C52 H56 Br4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.045","0.0403","","","0.0975","0.1002","","","","","","1.08","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108263","23.769","0.004","11.2921","0.0019","8.2022","0.0011","90","","90","","90","","2201.5","0.6","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C104 H112 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0434","0.0386","","","0.0953","0.0968","","","","","","1.368","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108264","9.54","0.0004","6.2063","0.0002","18.8852","0.0008","90","","98.474","0.001","90","","1105.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C52 H56 Br4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0306","0.0244","","","0.0577","0.0602","","","","","","1.11","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108265","8.6883","0.0015","11.7901","0.0019","10.3129","0.0017","90","","90.892","0.005","90","","1056.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C52 H56 Cl4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1067","0.0586","","","0.1263","0.1447","","","","","","1.055","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108266","12.1278","0.0011","8.1084","0.0007","11.2668","0.001","90","","108.995","0.002","90","","1047.61","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C52 H56 Cl4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0484","0.0374","","","0.0925","0.0977","","","","","","1.041","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108267","9.8035","0.0005","22.7092","0.0012","9.9786","0.0006","90","","101.405","0.002","90","","2177.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C104 H112 Cl8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0574","0.0403","","","0.0898","0.0965","","","","","","1.031","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2108268","11.9582","0.0011","9.106","0.0009","18.7079","0.0019","90","","90","","90","","2037.1","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C13 H14 F N -","- C13 H14 F N -","- C104 H112 F8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0493","0.0419","","","0.1074","0.1124","","","","","","1.033","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108269","9.8202","0.0006","22.0098","0.0016","9.8725","0.0007","90","","101.926","0.003","90","","2087.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 F N -","- C13 H14 F N -","- C104 H112 F8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0571","0.0463","","","0.119","0.1265","","","","","","1.042","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108270","10.1791","0.0018","8.7625","0.0015","22.946","0.004","90","","90","","90","","2046.7","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.1031","0.049","","","0.112","0.1335","","","","","","1.018","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108271","24.4539","0.0018","6.168","0.0004","16.2352","0.0012","90","","124.277","0.002","90","","2023.5","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br N -","- C12 H12 Br N -","- C96 H96 Br8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0332","0.0266","","","0.068","0.0712","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108272","10.8001","0.0009","8.8083","0.0007","21.0408","0.0017","90","","90","","90","","2001.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0399","","","0.1013","0.1089","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108273","5.7132","0.0012","8.1116","0.0018","10.878","0.002","90","","96.698","0.008","90","","500.68","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C24 H24 Cl2 N2 -","2","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0378","0.0327","","","0.0762","0.0779","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108274","24.4577","0.0012","6.0867","0.0003","16.309","0.001","90","","125.8","0.003","90","","1969.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl N -","- C12 H12 Cl N -","- C96 H96 Cl8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0442","0.0365","","","0.0968","0.1011","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108275","17.4633","0.0007","11.1118","0.0007","9.6718","0.0004","90","","91.282","0.003","90","","1876.33","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F N -","- C12 H12 F N -","- C96 H96 F8 N8 -","8","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0522","0.0443","","","0.1164","0.1218","","","","","","1.034","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108276","6.1937","0.0006","7.4492","0.0008","19.92","0.002","90","","90","","90","","919.07","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0437","","","0.1035","0.1087","","","","","","1.07","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108277","6.0226","0.0004","7.8459","0.0006","20.1968","0.0014","90","","90","","90","","954.35","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0638","0.0473","","","0.1088","0.1156","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108278","10.5411","0.0011","8.1081","0.0008","21.98","0.002","90","","98.61","0.002","90","","1857.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F N -","- C12 H12 F N -","- C96 H96 F8 N8 -","8","2","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0545","0.0457","","","0.1165","0.1215","","","","","","1.045","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108279","9.6268","0.0012","19.292","0.002","24.606","0.003","90","","90","","90","","4569.8","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N15 O18 -","- C13 H11 N15 O18 -","- C104 H88 N120 O144 -","8","1","LO5028","Liu, Yan; An, Chongwei; Luo, Jin; Wang, Jingyu","High-density HNIW/TNT cocrystal synthesized using a green chemical method","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008442","","","0.71073","MoKα","","0.0429","0.0372","","","0.099","0.1022","","","","","","1.083","","","","has coordinates,has Fobs","209232","2020-10-21","18:00:00",""
"2108280","7.7154","0.0002","5.9019","0.0001","7.6969","0.0002","90","","100.411","0.002","90","","344.712","0.014","100","","100","","","","","","","","Sigma Aldrich","2","P 1 21/a 1","-P 2yab","14","","azulene","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Dittrich, B.; Fabbiani, F. P. A.; Henn, J.; Schmidt, M. U.; Macchi, P.; Meindl, K.; Spackman, M. A.","Azulene revisited: solid-state structure, invariom modeling and lattice-energy minimization of a classical example of disorder","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010120","","","0.7107","MoKα","","0.0526","0.0428","","","","0.0275","","","","","","3.0429","","","","has coordinates,has Fobs","287891","2023-11-30","15:38:08",""
"2108281","13.8822","0.0017","11.6188","0.0014","22.115","0.003","90","","90","","90","","3567","0.8","110","0.2","110","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","","0.71073","MoKα","","0.0308","0.0198","","","0.0402","0.0435","","","","","","1.008","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108282","13.8732","0.0018","11.6316","0.0015","22.124","0.003","90","","90","","90","","3570.1","0.8","125","0.2","125","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0526","0.0419","","","0.0812","0.0837","","","","","","1.263","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108283","13.872","0.018","11.644","0.016","21.96","0.03","90","","90","","90","","3547","8","140","0.2","140","0.2","","","","","","","","5","P b 21 a","P -2a -2ab","29","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","2","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0932","0.0863","","","0.2106","0.2137","","","","","","1.132","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108284","14.0011","0.0019","11.6244","0.0016","21.893","0.003","90","","90","","90","","3563.2","0.8","200","0.2","200","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Makal, Anna","Triethylphosphine as a molecular gear — phase transitions in ferrocenyl‒acetylide‒gold(I)","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618010399","","x-ray","0.71073","MoKα","","0.0385","0.0224","","","0.0425","0.0471","","","","","","1.018","","","","has coordinates,has Fobs","210218","2020-10-21","18:00:00",""
"2108285","23.238","0.004","7.5293","0.0011","6.2437","0.0009","90","","92.83","0.006","90","","1091.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F3 O -","- C14 H8 F3 O -","- C56 H32 F12 O4 -","4","1","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.0838","0.0424","","","0.0796","0.0925","","","","","","1.046","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108286","11.505","0.001","6.235","0.0006","16.0118","0.0016","90","","109.293","0.006","90","","1084.08","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 F3 O -","- C14 H8 F3 O -","- C56 H32 F12 O4 -","4","1","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.0506","0.032","","","0.0768","0.087","","","","","","1.029","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108287","20.5435","0.0012","6.2569","0.0003","35.797","0.002","90","","106.649","0.003","90","","4408.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F6 O2 -","- C28 H16 F6 O2 -","- C224 H128 F48 O16 -","8","2","UM5015","Sonina, Alina A.; Koskin, Igor P.; Sherin, Peter S.; Rybalova, Tatyana V.; Shundrina, Inna K.; Mostovich, Evgeny A.; Kazantsev, Maxim S.","Crystal packing control of a trifluoromethyl-substituted furan/phenylene co-oligomer","Acta Crystallographica Section B","2018","74","5","","","10.1107/S2052520618011782","","","0.71073","MoKα","","0.157","0.0581","","","0.1158","0.1503","","","","","","1.022","","","","has coordinates,has Fobs","211082","2020-10-21","18:00:00",""
"2108288","3.8682","0.0003","14.9766","0.0009","13.4758","0.0009","90","","90.378","0.006","90","","780.67","0.09","270","0.1","270","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C24 H8 Cl16 -","4","1","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0761","0.0651","","","0.1556","0.1595","","","","","","1.089","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108289","3.79937","0.00012","14.8635","0.0004","13.3272","0.0004","90","","89.674","0.003","90","","752.6","0.04","90","0.1","90","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C24 H8 Cl16 -","4","1","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0562","0.0524","","","0.1302","0.1312","","","","","","1.362","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108290","3.83433","0.00011","23.9377","0.0006","17.2355","0.0004","90","","94.293","0.003","90","","1577.52","0.07","270","0.1","270","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C48 H16 Cl32 -","8","2","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0381","0.0246","","","0.0575","0.0599","","","","","","0.978","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108291","3.76927","0.0001","23.6053","0.0006","17.174","0.0004","90","","94.902","0.002","90","","1522.46","0.07","90","0.1","90","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,5-Tetrachlorobenzene","","- C6 H2 Cl4 -","- C6 H2 Cl4 -","- C48 H16 Cl32 -","8","2","","Bujak, Maciej","Melting point, molecular symmetry and aggregation of tetrachlorobenzene isomers: the role of halogen bonding","Acta Crystallographica Section B","2018","74","5","458","466","10.1107/S2052520618012295","","","0.71073","MoKα","","0.0229","0.0184","","","0.0462","0.0472","","","","","","1.06","","","","has coordinates,has Fobs","211192","2020-10-21","18:00:00",""
"2108292","6.71198","0.00009","13.3641","0.00017","19.5439","0.0003","90","","90","","90","","1753.08","0.04","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 Ca O15 -","- C12 H24 Ca O15 -","- C48 H96 Ca4 O60 -","4","1","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.71073","MoKα","","0.0254","0.0233","","","0.0565","0.0572","","","","","","1.191","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108293","6.7573","0.0004","19.5874","0.001","5.7344","0.001","90","","90","","90","","758.99","0.15","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H22 Ca O12 -","- C12 H22 Ca O12 -","- C24 H44 Ca2 O24 -","2","0.5","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.7749","Synchrotron","","0.0333","0.0333","","","0.0819","0.0819","","","","","","1.072","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108294","8.4553","0.0014","10.1812","0.0016","13.408","0.002","90","","98.646","0.002","90","","1141.1","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N'-(4-Hydroxybenzylidene)isonicotinohydrazide","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0677","0.0398","","","0.1017","0.1113","","","","","","1.076","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108295","7.0488","0.0015","12.15","0.003","28.649","0.006","90","","90","","90","","2453.6","1","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","2'-(4-Hydroxybenzylidene)isonicotinohydrazide monohydrate","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C104 H104 N24 O24 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.1173","0.0414","","","0.084","0.1083","","","","","","0.96","","","","has coordinates","212030","2020-10-21","18:00:00",""
"2108296","10.0223","0.0009","11.1984","0.0003","12.4505","0.001","109.836","0.006","101.25","0.007","97.494","0.006","1259.58","0.17","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","2","LO5039","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.03","0.0285","","","0.0783","0.0795","","","","","","1.046","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108297","15.0197","0.0004","15.0197","0.0004","12.8791","0.0006","90","","90","","90","","2905.41","0.17","297","2","297","2","","","","","","","","4","I 41","I 4bw","80","","","","- C15 H11 I N4 -","- C15 H11 I N4 -","- C120 H88 I8 N32 -","8","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0408","0.0353","","","0.0799","0.083","","","","","","1.058","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108298","14.8761","0.0007","4.0269","0.0002","23.183","0.0012","90","","105.81","0.005","90","","1336.23","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C60 H44 Br4 N16 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0433","0.0384","","","0.1073","0.1112","","","","","","1.079","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108299","9.51859","0.00016","15.70955","0.00019","21.6869","0.0003","90","","98.0651","0.0015","90","","3210.83","0.08","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N4 O -","- C16 H14 Cl2 N4 O -","- C128 H112 Cl16 N32 O8 -","8","2","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0566","0.0526","","","0.1329","0.1361","","","","","","1.016","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108300","18.763","0.003","6.5126","0.0007","10.1237","0.0015","90","","95.458","0.015","90","","1231.5","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Br N3 O -","- C13 H10 Br N3 O -","- C52 H40 Br4 N12 O4 -","4","1","","Berger, Gilles; Soubhye, Jalal; Wintjens, René; Robeyns, Koen; Meyer, Franck","Crystal packing and theoretical analysis of halogen- and hydrogen-bonded hydrazones from pharmaceuticals. Evidence of type I and II halogen bonds in extended chains of dichloromethane","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014221","","","0.71073","MoKα","","0.0613","0.0475","","","0.116","0.125","","","","","","1.043","","","","has coordinates","212031","2020-10-21","18:00:00",""
"2108301","4.7568","0.0002","19.9611","0.0009","13.4063","0.0006","90","","98.457","0.002","90","","1259.1","0.1","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0346","0.0295","","","0.0755","0.0789","","","","","","1.06","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108302","4.808","0.0009","9.7371","0.0018","27.708","0.005","90","","91.735","0.002","90","","1296.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0337","0.0314","","","0.0765","0.0779","","","","","","1.077","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108303","4.8189","0.0002","9.4501","0.0005","14.0283","0.0007","96.048","0.002","93.4","0.002","93.414","0.002","632.77","0.05","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C28 H18 Cl2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0409","0.0376","","","0.0939","0.0964","","","","","","1.03","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108304","7.7658","0.0006","19.1333","0.0013","8.8369","0.0005","90","","90","","90","","1313.03","0.15","104","2","104","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0557","0.042","","","0.091","0.0962","","","","","","1.038","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108305","25.6147","0.0013","5.3354","0.0003","9.3918","0.0004","90","","96.775","0.002","90","","1274.56","0.11","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0486","0.0397","","","0.1006","0.1063","","","","","","1.053","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108306","5.1563","0.0005","10.7617","0.0012","11.9075","0.0013","99.948","0.006","91.911","0.007","102.379","0.007","633.98","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C28 H18 Cl2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.065","0.0554","","","0.1354","0.1397","","","","","","1.138","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108307","9.445","0.002","15.275","0.004","18.954","0.005","90","","97.374","0.002","90","","2711.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C112 H72 Cl8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.058","0.0446","","","0.103","0.111","","","","","","1.024","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108308","12.8325","0.001","10.3856","0.0008","9.7379","0.0008","90","","93.059","0.003","90","","1295.95","0.18","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C56 H36 Cl4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0563","0.0407","","","0.1014","0.1104","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108309","16.952","0.003","5.2521","0.0007","28.76","0.004","90","","94.966","0.004","90","","2551","0.7","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl F3 N O -","- C14 H9 Cl F3 N O -","- C112 H72 Cl8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0796","0.0457","","","0.1016","0.1165","","","","","","1.051","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108310","4.7992","0.0003","10.0208","0.0007","27.428","0.002","90","","91.755","0.002","90","","1318.44","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0311","0.0251","","","0.0594","0.0623","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108311","4.8056","0.0002","27.8678","0.001","9.8421","0.0004","90","","94.227","0.003","90","","1314.48","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0376","0.0327","","","0.0708","0.0727","","","","","","1.121","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108312","7.8062","0.0003","19.3","0.0007","8.8433","0.0003","90","","90","","90","","1332.33","0.08","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0231","0.0221","","","0.056","0.0566","","","","","","1.044","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108313","4.8588","0.0004","4.9939","0.0004","26.0286","0.0019","90","","91.448","0.005","90","","631.37","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C28 H18 Br2 F6 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0665","0.047","","","0.0712","0.0758","","","","","","0.987","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108314","13.018","0.003","10.488","0.002","9.7309","0.0019","90","","94.432","0.014","90","","1324.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C56 H36 Br4 F12 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0513","0.0383","","","0.0933","0.0981","","","","","","1.089","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108315","16.9434","0.0005","5.2417","0.0001","29.141","0.0008","90","","94.775","0.002","90","","2579.09","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br F3 N O -","- C14 H9 Br F3 N O -","- C112 H72 Br8 F24 N8 O8 -","8","2","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0752","0.0663","","","0.1652","0.1696","","","","","","1.211","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108316","20.7974","0.0015","6.5752","0.0005","9.6889","0.0007","90","","93.899","0.004","90","","1321.86","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0206","0.0187","","","0.0447","0.0455","","","","","","1.088","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108317","11.0022","0.001","4.7359","0.0004","26.562","0.003","90","","97.636","0.003","90","","1371.7","0.2","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.051","0.0379","","","0.0885","0.0936","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","212032","2020-10-21","18:00:00",""
"2108318","20.584","0.0016","7.1797","0.0005","9.1451","0.0007","90","","97.122","0.004","90","","1341.1","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0488","0.0394","","","0.0791","0.0825","","","","","","1.053","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108319","7.9499","0.0004","19.6384","0.001","8.8397","0.0004","90","","90","","90","","1380.08","0.12","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0195","0.0172","","","0.0367","0.0372","","","","","","1.087","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108320","26.9793","0.0016","5.2899","0.0004","9.5068","0.0006","90","","95.747","0.002","90","","1349.97","0.16","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0237","0.0208","","","0.0489","0.0504","","","","","","1.071","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108321","4.9085","0.0003","4.9644","0.0003","26.7593","0.0016","90","","92.549","0.002","90","","651.42","0.07","101","2","101","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C28 H18 F6 I2 N2 O2 -","2","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0216","0.0208","","","0.0528","0.0533","","","","","","1.03","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108322","13.292","0.003","10.708","0.002","9.762","0.002","90","","96.305","0.007","90","","1381","0.5","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.0356","0.0267","","","0.0614","0.0644","","","","","","1.047","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108323","14.7689","0.0014","5.2518","0.0005","17.2537","0.0017","90","","93.217","0.003","90","","1336.1","0.2","107","2","107","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F3 I N O -","- C14 H9 F3 I N O -","- C56 H36 F12 I4 N4 O4 -","4","1","AW5013","Mondal, Pradip Kumar; Shukla, Rahul; Biswas, Subha; Chopra, Deepak","Role of halogen-involved intermolecular interactions and existence of isostructurality in the crystal packing of —CF~3~ and halogen (Cl or Br or I) substituted benzamides","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013422","","","0.71073","MoKα","","0.057","0.0446","","","0.0999","0.1105","","","","","","1.204","","","","has coordinates,has Fobs","212032","2020-10-21","18:00:00",""
"2108324","7.522","0.005","8.11","0.005","20.892","0.014","92.574","0.016","98.836","0.017","103.844","0.016","1218.3","1.4","220","","220","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N9 O5 S -","- C24 H22 Cl N9 O5 S -","- C48 H44 Cl2 N18 O10 S2 -","2","1","","Peng, Bo; Wang, Jian-Rong; Mei, Xuefeng","Triamterene‒furosemide salt: structural aspects and physicochemical evaluation","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013185","","","0.71073","MoKα","","0.1224","0.0594","","","0.1502","0.1926","","","","","","0.948","","","","has coordinates,has Fobs","212104","2020-10-21","18:00:00",""
"2108325","3.9978","0.0002","3.9978","0.0002","3.9978","0.0002","90","","90","","90","","63.894","0.006","300","0.03","300","0.03","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0123","0.0123","","","0.0455","0.0455","","","","1.14","1.14","1.13","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108326","4.0406","0.0002","4.0406","0.0002","4.0406","0.0002","90","","90","","90","","65.969","0.006","685","3","685","3","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0114","0.0114","","","0.0383","0.0383","","","","0.86","0.86","0.85","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108327","4.0581","0.0003","4.0581","0.0003","4.0581","0.0003","90","","90","","90","","66.83","0.009","827","3","827","3","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0189","0.0154","","","0.0513","0.054","","","","1.02","1.02","1.02","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108328","4.0763","0.0004","4.0763","0.0004","4.0763","0.0004","90","","90","","90","","67.733","0.012","909.4","0.9","909.4","0.9","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","neutron","0.8386","neutron","","0.0148","0.0113","","","0.041","0.045","","","","0.95","0.95","0.98","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108329","3.997","0.0008","3.997","0.0008","3.997","0.0008","90","","90","","90","","63.86","0.02","279","2","279","2","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","","barium lithium fluoride oxide","","- Ba F2.8 Li O0.1 -","- Ba F2.7999 Li O0.0999 -","- Ba F2.7999 Li O0.0999 -","1","0.0208333","","Wiedemann, Dennis; Meutzner, Falk; Fabelo, Oscar; Ganschow, Steffen","The inverse perovskite BaLiF~3~: single-crystal neutron diffraction and analyses of potential ion pathways","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618014579","","x-ray","0.71075","MoKα","","0.0097","0.0097","","","0.0225","0.0225","","","","1.09","1.09","1.09","","","","has coordinates,has disorder","212105","2020-10-21","18:00:00",""
"2108330","13.08438","0.0001","8.50319","0.0001","14.05022","0.0001","90","","119.309","0.0006","90","","1363.12","0.02","100","2","100","0.1","","","","","","","from Peter Herich","4","C 1 2/c 1","-C 2yc","15","","tetrakis(mu2-acetato)-diaqua-di-copper(II)","","- C8 H16 Cu2 O10 -","- C8 H16 Cu2 O10 -","- C32 H64 Cu8 O40 -","4","0.5","","Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef","Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013707","","","0.7107","MoKα","","0.025","0.019","","","","0.046","","","","","","1.199","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2108331","13.10149","0.00013","8.56324","0.00011","14.14837","0.00015","90","","119.121","0.0014","90","","1386.68","0.03","100","2","100","0.1","","","","","","","from Peter Herich","4","C 1 2/c 1","-C 2yc","15","","tetrakis(mu2-acetato)-diaqua-di-chromium(II)","","- C8 H16 Cr2 O10 -","- C8 H16 Cr2 O10 -","- C32 H64 Cr8 O40 -","4","0.5","","Herich, Peter; Bučinský, Lukáš; Breza, Martin; Gall, Marián; Fronc, Marek; Petřiček, Václav; Kožíšek, Jozef","Electronic structure of two isostructural `paddle-wheel' complexes: a comparative study","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013707","","","0.7107","MoKα","","0.024","0.018","","","","0.03","","","","","","1.259","","","","has coordinates","212223","2020-10-21","18:00:00",""
"2108332","14.3328","0.0007","9.1209","0.0004","10.3732","0.0005","90","","90.007","0.002","90","","1356.07","0.11","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1282","0.1095","","","0.2699","0.2867","","","","","","1.05","","","","has coordinates,has Fobs","212434","2020-10-21","18:00:00",""
"2108333","14.364","0.004","9.134","0.003","10.373","0.003","90","","90.056","0.007","90","","1360.9","0.7","304","2","304","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O14 Si4 V -","- Na2 O14 Si4 V -","- Na8 O56 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1093","0.0935","","","0.2457","0.2629","","","","","","1.046","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108334","12.584","0.016","9.525","0.013","9.696","0.014","90","","90.1","0.04","90","","1162","3","398","2","398","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H0 Na2 O11 Si4 V -","- Na2 O11 Si4 V -","- Na8 O44 Si16 V4 -","4","2","","Danisi, Rosa Micaela; Armbruster, Thomas","Dehydration of microporous vanadosilicates: the case of VSH-13Na","Acta Crystallographica Section B","2018","74","6","483","491","10.1107/S2052520618011423","","","0.71073","MoKα","","0.1772","0.1128","","","0.2798","0.3221","","","","","","1.055","","","","has coordinates","212434","2020-10-21","18:00:00",""
"2108335","14.5448","0.0002","6.5214","0.0004","23.8246","0.0006","90","","90","","90","","2259.82","0.15","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C112 H96 N16 O16 -","8","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","1.54184","Cukα","","0.0479","0.0328","","","0.0707","0.0751","","","","1.83","1.83","1.7","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108336","12.8423","0.0007","7.0971","0.0004","12.6239","0.0007","90","","107.188","0.0016","90","","1099.19","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br N2 O -","- C13 H9 Br N2 O -","- C52 H36 Br4 N8 O4 -","4","1","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.0457","0.0251","","","0.0451","0.05","","","","1.27","1.27","1.21","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108337","10.7147","0.0011","34.282","0.003","10.9168","0.0011","90","","93.176","0.002","90","","4003.8","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 B2 N2 O4 -","- C22 H20 B2 N2 O4 -","- C176 H160 B16 N16 O32 -","8","4","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.1796","0.0548","","","0.0778","0.1016","","","","1.39","1.39","1.19","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108338","21.8035","0.0016","10.4647","0.0008","19.3032","0.0014","90","","111.794","0.003","90","","4089.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H38 B4 N4 O9 -","- C43 H38 B4 N4 O9 -","- C172 H152 B16 N16 O36 -","4","0.5","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","","1.54184","Cukα","","0.0732","0.06","","","0.1492","0.1541","","","","2.85","2.85","2.59","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108339","8.9492","0.0007","14.5926","0.0012","15.0762","0.0012","66.778","0.003","82.477","0.003","86.204","0.003","1793.5","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 B2 Br N2 O3 -","- C19 H13 B2 Br N2 O3 -","- C76 H52 B8 Br4 N8 O12 -","4","2","","Kutniewska, Sylwia E.; Jarzembska, Katarzyna N.; Kamiński, Radosław; Stasyuk, Anton J.; Gryko, Daniel T.; Cyrański, Michał K.","Structural, energetic and spectroscopic studies of new luminescent complexes based on 2-(2'-hydroxyphenyl)imidazo[1,2-<i>a</i>]pyridines and 1,2-phenylenediboronic acid","Acta Crystallographica Section B","2018","74","6","725","737","10.1107/S2052520618015469","","x-ray","0.71073","Mokα","","0.1069","0.048","","","0.0958","0.1019","","","","2.43","2.43","1.97","","","","has coordinates,has Fobs","212435","2020-10-21","18:00:00",""
"2108340","6.9097","0.0003","5.5036","0.0002","24.8544","0.0009","90","","93.808","0.001","90","","943.08","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Br2 Cu O6 Pb2 Se2 -","- Br2 Cu O6 Pb2 Se2 -","- Br8 Cu4 O24 Pb8 Se8 -","4","1","PS5074","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.1082","0.044","","","0.0565","0.0684","","","","","","0.924","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108341","11.154","0.006","12.95","0.007","19.834","0.009","90","","123.74","0.02","90","","2382","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Br6 Cu O12 Pb6 Se4 -","- Br6 Cu O12 Pb6 Se4 -","- Br24 Cu4 O48 Pb24 Se16 -","4","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0855","0.036","","","0.056","0.0692","","","","","","0.576","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108342","8.275","0.008","9.303","0.009","11.891","0.012","90","","90","","90","","915.4","1.6","296","2","296","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Br0.67 Cu0.67 O2 Pb0.33 Se0.67 -","- Br0.666667 Cu0.666667 O2 Pb0.333333 Se0.666667 -","- Br8 Cu8 O24 Pb4 Se8 -","12","0.75","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0546","0.0361","","","0.0683","0.0745","","","","","","1.018","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108343","19.434","0.008","8.542","0.003","9.039","0.003","90","","100.684","0.01","90","","1474.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Br Cu2 O6 Pb0.5 Se2 -","- Br Cu2 O6 Pb0.5 Se2 -","- Br8 Cu16 O48 Pb4 Se16 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0529","0.0347","","","0.0776","0.0836","","","","","","1.012","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108344","19.502","0.007","5.2408","0.0019","16.469","0.006","90","","102.769","0.009","90","","1641.6","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 -","- Br0.4 Cu1.5 O7.5 Pb1.2 Se2.5 -","- Br3.2 Cu12 O60 Pb9.6 Se20 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0502","0.0389","","","0.0915","0.0962","","","","","","1.023","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108345","19.049","0.01","6.226","0.003","12.726","0.007","90","","109.843","0.012","90","","1419.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.75 Cu2.5 O4 Pb0.5 Se -","- Br1.75 Cu2.5 O4 Pb0.5 Se -","- Br14 Cu20 O32 Pb4 Se8 -","8","1","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0804","0.0407","","","0.061","0.0713","","","","","","0.944","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108346","19.146","0.005","6.2686","0.0018","17.296","0.005","90","","99.27","0.007","90","","2048.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.17 Cu1.92 O3 Pb0.25 Se0.75 -","- Br1.175 Cu1.925 O3 Pb0.25 Se0.75 -","- Br18.8 Cu30.8 O48 Pb4 Se12 -","16","2","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0452","0.0284","","","0.0577","0.0632","","","","","","1.06","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108347","38.0763","0.0016","6.2308","0.0003","11.1897","0.0005","90","","94.955","0.003","90","","2644.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Br1.83 Cu3.17 O5.33 Pb0.67 Se1.33 -","- Br1.83333 Cu3.16667 O5.33333 Pb0.666667 Se1.33333 -","- Br22 Cu38 O64 Pb8 Se16 -","12","1.5","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0742","0.0411","","","0.0816","0.0934","","","","","","0.998","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108348","23.943","0.012","20.268","0.01","6.313","0.004","90","","90","","90","","3064","3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","- Br22.16 Cu28 O64 Pb17.06 Se16 -","1","0.0625","","Siidra, Oleg I.; Kozin, Michael S.; Depmeier, Wulf; Kayukov, Roman A.; Kovrugin, Vadim M.","Copper‒lead selenite bromides: a new large family of compounds partly having Cu^2+^ substructures derivable from kagome nets","Acta Crystallographica Section B","2018","74","6","712","724","10.1107/S2052520618016542","","","0.71073","MoKα","","0.0963","0.0726","","","0.2085","0.2308","","","","","","1.198","","","","has coordinates,has Fobs","212436","2020-10-21","18:00:00",""
"2108349","7.1255","0.00011","7.1255","0.00011","66.2902","0.0013","90","","90","","120","","2914.81","0.09","293","","293","2","","","","","","","in spurrite rocks, Hatrurim Complex, Negev Desert, Israel","8","R -3 m :H","-R 3 2""","166","","","aravaite","- C0.919 Ba2 Ca17.621 F3.462 Na0.379 O39.7 P2.96 Si6 -","- C0.92 Ba2 Ca17.622 F3.456 Na0.378 O39.72 P2.96 Si6 -","- C2.76 Ba6 Ca52.866 F10.368 Na1.134 O119.16 P8.88 Si18 -","3","0.0833333","","Krüger, Biljana; Krüger, Hannes; Galuskin, Evgeny V.; Galuskina, Irina O.; Vapnik, Yevgeny; Olieric, Vincent; Pauluhn, Anuschka","Aravaite, Ba~2~Ca~18~(SiO~4~)~6~(PO~4~)~3~(CO~3~)F~3~O: modular structure and disorder of a new mineral with single and triple antiperovskite layers","Acta Crystallographica Section B","2018","74","6","492","501","10.1107/S2052520618012271","","x-ray","0.70848","","","0.0851","0.082","","","0.1829","0.1842","","","","3.81","3.81","3.6","","","","has coordinates,has Fobs","212437","2020-10-21","18:00:00",""
"2108429","13.4747","0.0004","12.9393","0.0004","7.7611","0.0002","90","","123.733","0.002","90","","1125.34","0.06","320.03","0.16","320.03","0.16","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","0.5","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0295","0.0295","","","0.0944","0.0944","","","","1.95","1.95","1.95","","","","has coordinates,has Fobs","216064","2020-10-21","18:00:00",""
"2108430","13.3923","","12.815","","7.8256","","90","","123.735","","90","","1116.9","","290","0.11","290","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H7 Cl4 N2 Sb -","- C4.9928 H7 Cl4 N2 Sb -","- C19.9712 H28 Cl16 N8 Sb4 -","4","0.5","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0274","0.0274","","","0.0945","0.0945","","","","1.82","1.82","1.82","","","","has coordinates,has Fobs","216065","2020-10-21","18:00:00",""
"2108431","13.33","0.02","12.69","0.009","7.87","0.02","90","","123.8","0.2","90","","1106","4","260","0.12","260","0.12","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0362","0.0362","","","0.1205","0.1205","","","","2.26","2.26","2.26","","","","has coordinates,has Fobs","216066","2020-10-21","18:00:00",""
"2108432","13.3","0.02","12.66","0.018","7.89","0.02","90","","123.8","0.2","90","","1104","4","244.97","0.13","244.97","0.13","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0521","0.0521","","","0.0672","0.0672","","","","1.9","1.9","1.9","","","","has coordinates,has Fobs","216067","2020-10-21","18:00:00",""
"2108433","13.208","0.0004","12.526","0.004","7.9251","0.0003","90","","123.914","0.002","90","","1088.1","0.4","199.9","0.2","199.9","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Cl4 N2 Sb -","- C5 H7 Cl4 N2 Sb -","- C20 H28 Cl16 N8 Sb4 -","4","1","","Gagor, Anna","Phase transitions in ferroelectric 4-aminopyridinium tetrachloroantimonate(III) ‒ revisited","Acta Crystallographica Section B","2018","74","2","217","225","10.1107/S2052520618003669","","x-ray","0.71073","MoKα","","0.0187","0.0139","","","0.0268","0.0304","","","","1.1","1.1","1.2","","","","has coordinates,has Fobs","216068","2020-10-21","18:00:00",""
"2242305","6.5411","0.0004","7.3889","0.0006","15.0662","0.0012","78.772","0.003","86.872","0.003","87.376","0.003","712.71","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-2-(5-Bromo-2-hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate","","- C10 H14 Br N3 O2 S2 -","- C10 H14 Br N3 O2 S2 -","- C20 H28 Br2 N6 O4 S4 -","2","1","SU5414","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-(5-bromo-2-hydroxybenzylidene)hydrazinecarbothioamide dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2018","74","2","119","123","10.1107/S2056989018000233","","","0.71073","MoKα","","0.0414","0.0298","","","0.0965","0.1064","","","","","","0.789","","","","has coordinates,has Fobs","205159","2020-10-21","18:00:00",""
"2242306","8.1038","0.0003","13.3915","0.0006","18.7377","0.0009","90","","90","","90","","2033.45","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-\ diazabenzo[<i>b</i>]fluorene-3-carboxylate","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C96 H72 N8 O16 S4 -","4","1","ZQ2240","Yartsev, Yegor; Lyubashov, Pavel; Povstyanoy, Vyacheslav; Povstyaniy, Mykhailo; Lebedyeva, Iryna","Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-diazabenzo[<i>b</i>]fluorene-3-carboxylate","Acta Crystallographica Section E","2018","74","2","124","126","10.1107/S2056989018000117","","","0.71073","MoKα","","0.0428","0.0352","","","0.0825","0.0873","","","","","","1.031","","","","has coordinates,has Fobs","205160","2020-10-21","18:00:00",""
"2242307","9.513","0.001","7.196","0.005","14.297","0.004","90","","90.41","0.02","90","","978.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium perchlorate","","- C7 H10 Cl N O4 -","- C7 H10 Cl N O4 -","- C28 H40 Cl4 N4 O16 -","4","1","","Ben Jomaa, Meriam; Chebbi, Hammouda; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi","Structure cristalline, caractérisation spectroscopique, calcul DFT et analyse de surface Hirshfeld du perchlorate de <i>p</i>-toluidinium","Acta Crystallographica Section E","2018","74","2","91","97","10.1107/S2056989017018096","","","0.71073","MoKα","","0.1301","0.0674","","","0.1746","0.2121","","","","","","1.024","","","","has coordinates,has Fobs","205161","2020-10-21","18:00:00",""
"2242308","12.685","0.003","15.498","0.003","7.375","0.002","90","","97.12","0.03","90","","1438.7","0.6","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(4-amino-4<i>H</i>-1,2,4-triazolium) [bis(μ~2~-4-amino-4<i>H</i>-1,2,4-triazole-κ^2^<i>N</i>^1^:<i>N</i>^2^)tetra-μ~2~-chlorido-tetrachloridotricadmium(II)] dihydrate]","","- C8 H22 Cd3 Cl8 N16 O2 -","- C8 H22 Cd3 Cl8 N16 O2 -","- C16 H44 Cd6 Cl16 N32 O4 -","2","0.5","XI2006","Said, Maha; Boughzala, Habib","A new cadmium coordination polymer based on 4-amino-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","2","147","150","10.1107/S2056989018000464","","","0.71073","MoKα","","0.0499","0.0401","","","0.1154","0.1232","","","","","","1.063","","","","has coordinates,has Fobs","205162","2020-10-21","18:00:00",""
"2242309","10.9256","0.0002","12.9595","0.0006","24.1116","0.0006","90","","100.763","0.002","90","","3353.91","0.19","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate","","- C26 H26 Co N10 O S6 -","- C26 H26 Co N10 O S6 -","- C104 H104 Co4 N40 O4 S24 -","4","1","WM5430","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2018","74","2","141","146","10.1107/S205698901800021X","","","0.71073","MoKα","","0.045","0.0356","","","0.0748","0.0782","","","","","","1.068","","","","has coordinates,has Fobs","205163","2020-10-21","18:00:00",""
"2242310","18.965","0.003","41.216","0.007","5.1117","0.0007","90","","90","","90","","3995.6","1.1","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","","- C14 H12 N6 S4 Zn -","- C14 H12 N6 S4 Zn -","- C112 H96 N48 S32 Zn8 -","8","0.5","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) monohydrate and bis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2018","74","2","141","146","10.1107/S205698901800021X","","","0.71073","MoKα","","0.0455","0.0396","","","0.1035","0.1091","","","","","","1.071","","","","has coordinates,has Fobs","205163","2020-10-21","18:00:00",""
"2242311","10.8002","0.0015","5.1439","0.0007","13.3931","0.0019","90","","98.382","0.001","90","","736.11","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Deoxy-1-(<i>N</i>-methyl-<i>p</i>-methoxyphenylamino)-<i>D</i>-fructose","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","QM2121","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure of the acyclic form of 1-deoxy-1-[(4-methoxyphenyl)(methyl)amino]-<small>D</small>-fructose","Acta Crystallographica Section E","2018","74","2","127","132","10.1107/S2056989018000099","","","0.71073","MoKα","","0.0346","0.0313","","","0.0793","0.0815","","","","","","1.044","","","","has coordinates,has Fobs","205164","2020-10-21","18:00:00",""
"2242312","5.176","0.003","13.972","0.005","9.067","0.003","90","","91.34","0.02","90","","655.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Potassium sodium copper(II) diphosphate(V)","","- Cu K Na O7 P2 -","- Cu K Na O7 P2 -","- Cu4 K4 Na4 O28 P8 -","4","1","WM5429","Fitouri, Ines; Boughzala, Habib","Crystal structure of KNaCuP~2~O~7~, a new member of the diphosphate family","Acta Crystallographica Section E","2018","74","2","109","112","10.1107/S2056989018000130","","","0.71073","MoKα","","0.0241","0.0204","","","0.0576","0.0592","","","","","","1.008","","","","has coordinates,has Fobs","205165","2020-10-21","18:00:00",""
"2242313","16.6728","0.001","6.8197","0.0003","15.4419","0.0007","90","","102.217","0.003","90","","1716.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trinitrobenzene‒1-(naphthalen-2-yl)ethan-1-one (1/1)","","- C18 H13 N3 O7 -","- C18 H13 N3 O7 -","- C72 H52 N12 O28 -","4","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.1026","0.0533","","","0.126","0.1523","","","","","","1.007","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242314","7.0928","0.0002","9.7701","0.0003","27.0563","0.0007","90","","100.674","0.001","90","","1842.49","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,5-Trinitrobenzene‒9-bromoanthracene (1/1)","","- C20 H12 Br N3 O6 -","- C20 H12 Br N3 O6 -","- C80 H48 Br4 N12 O24 -","4","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.0499","0.0397","","","0.0913","0.0955","","","","","","1.079","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242315","8.55","0.003","10.437","0.003","13.072","0.005","110.689","0.01","103.51","0.012","90.73","0.012","1055.2","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-Trinitrobenzene‒2-{(<i>E</i>)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid (1/1)","","- C21 H18 N6 O8 -","- C21 H18 N6 O8 -","- C42 H36 N12 O16 -","2","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.1242","0.0776","","","0.211","0.2487","","","","","","1.073","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242316","7.5365","0.0015","7.9003","0.0016","19.153","0.004","97.58","0.007","94.667","0.006","99.547","0.007","1108.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-Trinitrobenzene‒1-naphthoic acid‒2-amino-5-nitropyridine (1/1/1)","","- C22 H16 N6 O10 -","- C22 H16 N6 O10 -","- C44 H32 N12 O20 -","2","1","","Hill, Tania; Levendis, Demetrius C.; Lemmerer, Andreas","Binary and ternary charge-transfer complexes using 1,3,5-trinitrobenzene","Acta Crystallographica Section E","2018","74","2","113","118","10.1107/S2056989018000245","","","0.71073","MoKα","","0.0837","0.072","","","0.1633","0.168","","","","","","1.221","","","","has coordinates,has Fobs","205166","2020-10-21","18:00:00",""
"2242317","17.069","0.003","5.9278","0.0012","7.8053","0.0016","90","","90.54","0.03","90","","789.7","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Pyrazin-2-yl)morpholine","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","DS2249","Bandaru, Siva Sankar Murthy; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 4-(pyrazin-2-yl)morpholine","Acta Crystallographica Section E","2018","74","2","137","140","10.1107/S2056989018000312","","","0.71073","MoKα","","0.0459","0.0315","","","0.0756","0.0806","","","","","","1.007","","","","has coordinates","205168","2020-10-21","18:00:00",""
"2242318","8.2837","0.0009","8.666","0.0009","10.6619","0.0012","110.762","0.003","101.468","0.004","95.463","0.003","689.83","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C14 H16 B F2 N3 O2 -","- C14 H16 B F2 N3 O2 -","- C28 H32 B2 F4 N6 O4 -","2","1","HB7723","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","0.71073","MoKα","","0.0869","0.0522","","","0.129","0.1435","","","","","","1.073","","","","has coordinates,has Fobs","205169","2020-10-21","18:00:00",""
"2242319","7.2833","0.0002","8.545","0.0003","11.8803","0.0004","81.093","0.002","74.358","0.002","78.581","0.002","693.86","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4,4-Difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C15 H10 B F2 N3 O2 -","- C15 H10 B F2 N3 O2 -","- C30 H20 B2 F4 N6 O4 -","2","1","","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","1.54178","CuKα","","0.0396","0.033","","","0.0827","0.0864","","","","","","1.051","","","","has coordinates,has Fobs","205169","2020-10-21","18:00:00",""
"2242320","11.8359","0.0004","12.0825","0.0004","16.5811","0.0005","90","","104.116","0.001","90","","2299.62","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","","- C26 H25 B Cl N3 O2 -","- C26 H25 B Cl N3 O2 -","- C104 H100 B4 Cl4 N12 O8 -","4","1","","Joshi, Dhruval J.; Jun, Meesook; Yang, Lijing; Lough, Alan J.; Yan, Hongbin","Further investigation on the nitration of BODIPY with cupric nitrate: crystal structures of 4,4-difluoro-1,3,5,7,8-pentamethyl-2-nitro-4-bora-3a,4a-diaza-<i>s</i>-indacene, 4,4-difluoro-3-nitro-8-phenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene, and 3-chloro-6-ethyl-5,7,8-trimethyl-2-nitro-4,4-diphenyl-4-bora-3a,4a-diaza-<i>s</i>-indacene","Acta Crystallographica Section E","2018","74","2","103","108","10.1107/S2056989017018564","","","1.54178","CuKα","","0.0344","0.0328","","","0.0834","0.0849","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","205169","2020-10-21","18:00:00",""
"2242321","12.0684","0.0005","13.9953","0.0004","14.0634","0.0005","73.682","0.003","86.6","0.003","88.884","0.003","2275.61","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","1-[(2,2-Dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene","","- C25 H25 Fe N2 P S -","- C25 H25 Fe N2 P S -","- C100 H100 Fe4 N8 P4 S4 -","4","2","SU5416","Mouas, Toma Nardjes; Daran, Jean-Claude; Merazig, Hocine; Manoury, Eric","The crystal structure of a new ferrocenyl P,N ligand: 1-[(2,2-dimethylhydrazin-1-ylidene)methyl]-1'-(diphenylphosphorothioyl)ferrocene","Acta Crystallographica Section E","2018","74","2","133","136","10.1107/S2056989018000440","","","0.71073","MoKα","","0.0488","0.0338","","","0.0734","0.0797","","","","","","1.028","","","","has coordinates,has Fobs","205170","2020-10-21","18:00:00",""
"2242322","8.81934","0.00018","15.3698","0.0003","15.4209","0.0003","90","","103.294","0.002","90","","2034.31","0.07","297","1","297","1","","","","","","","","6","P 1 21 1","P 2yb","4","","Chlorido(dimethyl sulfoxide-κ<i>O</i>)triphenyltin(IV)","","- C20 H21 Cl O S Sn -","- C20 H21 Cl O S Sn -","- C80 H84 Cl4 O4 S4 Sn4 -","4","2","HB4193","Pouye, Serigne Fallou; Cissé, Ibrahima; Diop, Libasse; Ríos-Merino, Francisco Javier; Bernès, Sylvain","Monoclinic polymorph of chlorido(dimethyl sulfoxide-κ<i>O</i>)triphenyltin(IV)","Acta Crystallographica Section E","2018","74","2","163","166","10.1107/S2056989018000439","","","0.71073","MoKα","","0.072","0.038","","","0.0697","0.0826","","","","","","1.036","","","","has coordinates,has Fobs","205171","2020-10-21","18:00:00",""
"2242323","7.0593","0.0004","10.5346","0.0005","13.0658","0.0006","90","","90","","90","","971.66","0.08","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3CN","2,4,6-Triiodobenzonitrile","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","LH5864","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0142","0.0134","","","0.0298","0.0302","","","","","","1.183","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2242324","7.0552","0.0003","10.4947","0.0005","13.1557","0.0005","90","","90","","90","","974.08","0.07","100","2","100","2","","","","","","","","4","I m m a","-I 2b 2","74","I3NC","2,4,6-Triiodophenyl isocyanide","","- C7 H2 I3 N -","- C7 H2 I3 N -","- C28 H8 I12 N4 -","4","0.25","","Noland, Wayland E.; Britton, Doyle; Sutton, Gregory K.; Schneerer, Andrew K.; Tritch, Kenneth J.","Crystal structures of 2,4,6-triiodobenzonitrile and 2,4,6-triiodophenyl isocyanide","Acta Crystallographica Section E","2018","74","2","98","102","10.1107/S2056989017018217","","","0.71073","MoKα","","0.0119","0.011","","","0.0239","0.0243","","","","","","1.143","","","","has coordinates,has Fobs","205172","2020-10-21","18:00:00",""
"2242325","21.0983","0.0013","7.7792","0.0005","17.7036","0.0011","90","","105.564","0.002","90","","2799.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-6-methyl-2-oxo-3-[1-(<i>p</i>-ethoxyiminio)ethyl]-2<i>H</i>-pyran-4-olate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C128 H136 N8 O32 -","8","1","","Djedouani, Amel; Anak, Barkahem; Tabti, Salima; Cleymand, Franck; François, Michel; Fleutot, Solenne","Crystal structure and DFT study of the zwitterionic form of 3-{(<i>E</i>)-1-[(4-ethoxyphenyl)iminiumyl]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olate","Acta Crystallographica Section E","2018","74","2","172","175","10.1107/S2056989018000919","","","0.71073","MoKα","","0.045","0.0354","","","0.0903","0.0939","","","","","","1.07","","","","has coordinates,has Fobs","205326","2020-10-21","18:00:00",""
"2242326","11.6178","0.0008","15.7762","0.0008","12.8621","0.0007","90","","90","","90","","2357.4","0.2","153","2","153","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","2,3,8,9,14,15-Hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene","","- C30 H24 N6 -","- C30 H24 N6 -","- C120 H96 N24 -","4","0.5","WM5431","Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","Acta Crystallographica Section E","2018","74","2","167","171","10.1107/S2056989018000725","","","0.71073","MoKα","","0.067","0.0315","","","0.0739","0.0801","","","","","","0.746","","","","has coordinates,has Fobs","205327","2020-10-21","18:00:00",""
"2242327","9.2629","0.0004","16.3829","0.0006","18.4366","0.0006","64.2659","0.0013","78.2616","0.0015","88.353","0.0017","2461.97","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,3,8,9,14,15-Hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","","- C62 H40 Cl4 N6 -","- C62 H40 Cl4 N6 -","- C124 H80 Cl8 N12 -","2","1","","Fangmann, Pia; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structures of 2,3,8,9,14,15-hexamethyl-5,6,11,12,17,18-hexaazatrinaphthylene and 2,3,8,9,14,15-hexaphenyl-5,6,11,12,17,18-hexazatrinaphthylene dichloromethane disolvate","Acta Crystallographica Section E","2018","74","2","167","171","10.1107/S2056989018000725","","","0.71073","MoKα","","0.0511","0.039","","","0.0983","0.1068","","","","","","1.023","","","","has coordinates,has Fobs","205327","2020-10-21","18:00:00",""
"2242328","13.987","0.003","7.795","0.0014","10.3135","0.0018","90","","105.556","0.004","90","","1083.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(2-Acetamidophenyl)imino]butan-2-one","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","LD2143","Zhai, Feng; Solomon, Joseph B.; Filatov, Alexander S.; Jordan, Richard F.","Crystal structure of 3-[(2-acetamidophenyl)imino]butan-2-one","Acta Crystallographica Section E","2018","74","2","193","195","10.1107/S2056989018000749","","","0.71073","MoKα","","0.0456","0.0382","","","0.0975","0.1026","","","","","","1.057","","","","has coordinates,has Fobs","205429","2020-10-21","18:00:00",""
"2242329","9.775","0.004","7.278","0.003","10.698","0.004","90","","110.933","0.008","90","","710.8","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-Bromothiophen-2-yl)acetonitrile","","- C6 H4 Br N S -","- C6 H4 Br N S -","- C24 H16 Br4 N4 S4 -","4","1","DX2004","Pappenfus, Ted M.; Wood, Tiana L.; Morey, Joseph L.; Wilcox, Wyatt D.; Janzen, Daron E.","Crystal structure and Hirshfeld analysis of 2-(5-bromothiophen-2-yl)acetonitrile","Acta Crystallographica Section E","2018","74","2","189","192","10.1107/S2056989018000968","","","0.71075","MoKα","","0.0576","0.0476","","","0.112","0.117","","","","","","1.072","","","","has coordinates,has Fobs","205430","2020-10-21","18:00:00",""
"2242330","15.2673","0.0013","12.5337","0.0009","17.6096","0.0015","90","","112.628","0.003","90","","3110.3","0.4","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-Methyl-5-[(4-methylbenzene)sulfonyl]-2<i>H</i>,5<i>H</i>-[1,3]dioxolo[4,5-<i>f</i>]indole","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C136 H120 N8 O32 S8 -","8","1","HB7727","Ali, Akbar; Zukerman-Schpector, Julio; Weber Paixão, Márcio; Jotani, Mukesh M.; Tiekink, Edward R. T.","7-Methyl-5-[(4-methylbenzene)sulfonyl]-2<i>H</i>,5<i>H</i>-[1,3]dioxolo[4,5-<i>f</i>]indole: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","2","184","188","10.1107/S2056989018000889","","","0.71073","MoKα","","0.0475","0.0414","","","0.1192","0.1248","","","","","","1.072","","","","has coordinates,has Fobs","205431","2020-10-21","18:00:00",""
"2242331","10.6868","0.0012","26.421","0.003","13.5628","0.0015","90","","90.709","0.001","90","","3829.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)","","- C40 H35 Cl4 Cu N4 O P -","- C40 H35 Cl4 Cu N4 O P -","- C160 H140 Cl16 Cu4 N16 O4 P4 -","4","1","ZS2394","Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.","Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)","Acta Crystallographica Section E","2018","74","1","69","71","10.1107/S205698901701800X","","","0.71073","MoKα","","0.0512","0.0373","","","0.0884","0.0964","","","","","","1.04","","","","has coordinates,has Fobs","205715","2020-10-21","18:00:00",""
"2242332","8.5079","0.0004","10.4356","0.0005","14.9899","0.0007","93.748","0.004","90.464","0.004","112.585","0.003","1225.39","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","Bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II)","","- C18 H22 Mn N8 S4 -","- C18 H22 Mn N8 S4 -","- C36 H44 Mn2 N16 S8 -","2","1","WM5426","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","Acta Crystallographica Section E","2018","74","1","15","20","10.1107/S2056989017017510","","","0.71073","MoKα","","0.0418","0.0353","","","0.0944","0.0975","","","","","","1.061","","","","has coordinates,has Fobs","205716","2020-10-21","18:00:00",""
"2242333","10.832","0.0002","28.161","0.0005","11.3392","0.0002","90","","90.098","0.001","90","","3458.9","0.11","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","","- C26 H33 Mn N11 S5 -","- C26 H33 Mn N11 S5 -","- C104 H132 Mn4 N44 S20 -","4","2","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II)","Acta Crystallographica Section E","2018","74","1","15","20","10.1107/S2056989017017510","","","0.71073","MoKα","","0.0416","0.0388","","","0.098","0.0993","","","","","","1.049","","","","has coordinates,has Fobs","205716","2020-10-21","18:00:00",""
"2242334","3.9149","0.0006","10.3237","0.0012","11.7003","0.0014","66.526","0.006","81.11","0.009","84.349","0.009","428.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","6-Methoxy-1,3-benzoxathiol-2-one","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C18 H16 O6 S2 -","2","1","NK2242","de Chazin, Eliza; de Sanches, Paola; Vasconcelos, Thatyana R. A.; Gomes, Claudia R. B.; Wardell, James L.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of two 1,3-benzoxathiol-2-one derivatives","Acta Crystallographica Section E","2018","74","1","78","82","10.1107/S2056989017018072","","","0.71073","MoKα","","0.0362","0.0338","","","0.0925","0.094","","","","","","1.038","","","","has coordinates,has Fobs","205717","2020-10-21","18:00:00",""
"2242335","5.6232","0.0005","14.565","0.0014","10.8572","0.0011","90","","96.045","0.002","90","","884.28","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Oxo-1,3-benzoxathiol-6-yl acetate","","- C9 H6 O4 S -","- C9 H6 O4 S -","- C36 H24 O16 S4 -","4","1","NK2242","de Chazin, Eliza; de Sanches, Paola; Vasconcelos, Thatyana R. A.; Gomes, Claudia R. B.; Wardell, James L.; Harrison, William T. A.","Crystal structures and Hirshfeld surfaces of two 1,3-benzoxathiol-2-one derivatives","Acta Crystallographica Section E","2018","74","1","78","82","10.1107/S2056989017018072","","","0.71073","MoKα","","0.0296","0.0282","","","0.0799","0.0809","","","","","","1.096","","","","has coordinates,has Fobs","205717","2020-10-21","18:00:00",""
"2242336","8.956","0.004","10.697","0.005","20.331","0.009","90","","90","","90","","1947.8","1.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ~3~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]zinc(II)]","","- C10 H8 N2 O2 Zn -","- C10 H8 N2 O2 Zn -","- C80 H64 N16 O16 Zn8 -","8","1","LH5857","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0629","","","","","","1.031","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242337","13.6708","0.0006","8.0253","0.0003","17.3834","0.0007","90","","100.972","0.004","90","","1872.31","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis[μ~2~-3-(1<i>H</i>-benzimidazol-2-yl)propionato]cadmium(II)]","","- C20 H18 Cd N4 O4 -","- C20 H18 Cd N4 O4 -","- C80 H72 Cd4 N16 O16 -","4","1","","Li, Xiao-Yan; Peng, Yong-Qiong; Li, Juan; Fu, Wei-Wei; Liu, Yang; Li, Yu-Ming","Assembly of Zn^II^ and Cd^II^ coordination polymers with different dimensionalities based on the semi-flexible 3-(1<i>H</i>-benzimidazol-2-yl)propanoic acid ligand","Acta Crystallographica Section E","2018","74","1","28","33","10.1107/S2056989017017534","","","0.71073","MoKα","","0.0444","0.0308","","","0.0594","0.0639","","","","","","1.055","","","","has coordinates,has Fobs","205718","2020-10-21","18:00:00",""
"2242338","41.432","0.002","41.432","0.002","7.7844","0.0006","90","","90","","90","","13362.8","1.4","100.15","","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","Prop-2-en-1-yl 2,3,4,5-tetrachloro-6-[2,7-dichloro-6-hydroxy-3-oxo-4-(prop-2-en-1-yl)-3<i>H</i>-xanthen-9-yl]benzoate","","- C26 H14 Cl6 O5 -","- C26 H14 Cl6 O5 -","- C416 H224 Cl96 O80 -","16","","HB7719","Wang, Lili; Filatov, Alexander S.; Engel, Gregory S.","Crystal structure of 4'-allyl-4,5,6,7,2',7'-hexachlorofluorescein allyl ester unknown solvate","Acta Crystallographica Section E","2018","74","1","83","87","10.1107/S2056989017018163","","","0.71073","MoKα","","0.0668","0.0549","","","0.1475","0.1563","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205719","2020-10-21","18:00:00",""
"2242339","15.353","0.003","6.3143","0.0013","26.941","0.006","90","","96.446","0.004","90","","2595.2","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(Furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","2","","Thiruvalluvar, A.; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M.","Crystal structure of (<i>E</i>)-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one","Acta Crystallographica Section E","2018","74","1","59","61","10.1107/S2056989017017972","","","0.71073","MoKα","","0.1207","0.0802","","","0.1337","0.1474","","","","","","1.113","","","","has coordinates,has Fobs","205720","2020-10-21","18:00:00",""
"2242340","6.9293","0.0005","7.327","0.0005","15.7411","0.0011","94.198","0.006","96.189","0.006","116.053","0.005","707.27","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,3-Dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C30 H28 N4 O10 -","2","1","XU5912","Yaman, Mavişe; Almarhoon, Zainab M.; Çakmak, Şükriye; Kütük, Halil; Meral, Güngör; Dege, Necmi","Crystal structure of 2,3-dimethoxy-<i>N</i>-(4-nitrophenyl)benzamide","Acta Crystallographica Section E","2018","74","1","41","44","10.1107/S2056989017017741","","","0.71073","MoKα","","0.0561","0.039","","","0.1085","0.114","","","","","","1.088","","","","has coordinates,has Fobs","205721","2020-10-21","18:00:00",""
"2242341","10.4348","0.0017","7.6726","0.0013","10.821","0.0018","90","","97.773","0.003","90","","858.4","0.2","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>)-3-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-1,4-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","QM2118","Chen, Li; Ma, Xinhua; Deng, ShiHao; Yang, XinZhou; Song, Ping","Crystal structure of 6,7-dehydroroyleanone isolated from <i>Taxodium distichum</i> (L.) Rich.","Acta Crystallographica Section E","2018","74","1","62","64","10.1107/S2056989017017935","","","0.71073","MoKα","","0.0553","0.0473","","","0.1332","0.1425","","","","","","1.082","","","","has coordinates,has Fobs","205722","2020-10-21","18:00:00",""
"2242342","14.292","0.003","13.729","0.003","17.23","0.003","90","","90","","90","","3380.8","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C168 H144 N16 O16 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0517","0.0417","","","0.106","0.1122","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242343","14.245","0.003","13.855","0.003","17.629","0.004","90","","90","","90","","3479.3","1.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C168 H144 N16 O8 S8 -","8","1","LD2142","Toze, Flavien A. A.; Zaytsev, Vladimir P.; Chervyakova, Lala V.; Kvyatkovskaya, Elisaveta A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Crystal structure of 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-benzyl-2-[(<i>E</i>)-2-(thiophen-2-yl)ethenyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one from synchrotron X-ray diffraction","Acta Crystallographica Section E","2018","74","1","10","14","10.1107/S2056989017017479","","","0.9626","synchrotron","","0.0598","0.0497","","","0.1336","0.147","","","","","","1.084","","","","has coordinates,has Fobs","205723","2020-10-21","18:00:00",""
"2242344","9.0184","0.0006","10.998","0.0008","11.2386","0.0008","63.426","0.002","74.414","0.003","78.144","0.002","955.56","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","rivaroxaban","(<i>S</i>)-5-Chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","","- C19 H18 Cl N3 O5 S -","- C19 H18 Cl N3 O5 S -","- C38 H36 Cl2 N6 O10 S2 -","2","2","XU5913","Shen, Jie; Tang, Gu-Ping; Hu, Xiu-Rong","Crystal structure of (<i>S</i>)-5-chloro-<i>N</i>-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide","Acta Crystallographica Section E","2018","74","1","51","54","10.1107/S2056989017017819","","","0.71073","MoKα","","0.0936","0.0452","","","0.1034","0.1489","","","","","","1.003","","","","has coordinates,has Fobs","205724","2020-10-21","18:00:00",""
"2242345","16.5464","0.0004","9.2184","0.0002","22.3975","0.0004","90","","100.494","0.002","90","","3359.18","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-{(<i>E</i>)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C144 H168 N24 O24 -","8","2","HB7720","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-{(<i>E</i>)-[4-(4-Hydroxy-3-methoxyphenyl)butan-2-ylidene]amino}-1-phenylurea: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","1","21","27","10.1107/S2056989017017273","","","1.5418","CuKα","","0.0656","0.0588","","","0.1711","0.1796","","","","","","1.045","","","","has coordinates,has Fobs","205725","2020-10-21","18:00:00",""
"2242346","7.957","0.003","9.656","0.003","16.568","0.005","76.71","0.005","79.44","0.005","78.173","0.005","1200.1","0.7","193","","193","","","","","","","","","4","P -1","-P 1","2","","5,15-Bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate","","- C58 H42 N8 O8 -","- C58 H42 N8 O8 -","- C58 H42 N8 O8 -","1","0.5","","Baptayev, Bakhytzhan; Adilov, Salimgerey","Crystal structure of 5,15-bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate","Acta Crystallographica Section E","2018","74","1","55","58","10.1107/S2056989017017868","","","0.71073","MoKα","","0.0849","0.0643","","","0.1737","0.1893","","","","","","1.0465","","","","has coordinates,has Fobs","205726","2020-10-21","18:00:00",""
"2242347","15.826","0.003","8.0772","0.0006","18.431","0.002","90","","111.83","0.016","90","","2187.1","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","","- C9 H11 N O2 S2 -","- C9 H11 N O2 S2 -","- C72 H88 N8 O16 S16 -","8","1","SU5404","Boukhedena, Wafia; Fiala, Abdelali; Brahim Ladouani, Hayet; Lemallem, Salah Eddine; Hamdouni, Noudjoud; Boudjada, Ali","Crystal structure of ethyl 2-cyano-2-(1,3-dithian-2-ylidene)acetate","Acta Crystallographica Section E","2018","74","1","65","68","10.1107/S2056989017017893","","","0.71073","MoKα","","0.0632","0.0488","","","0.1268","0.1376","","","","","","1.075","","","","has coordinates,has Fobs","205727","2020-10-21","18:00:00",""
"2242348","9.7803","0.0006","10.4481","0.0005","13.3708","0.0008","101.438","0.002","101.015","0.002","109.073","0.002","1216.41","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-benzene-1,4-dicarboxylato)[μ~2~-1,6-bis(1,2,4-triazol-1-yl)hexane]zinc] dimethylformamide monosolvate]","","- C21 H27 N7 O5 Zn -","- C21 H27 N7 O5 Zn -","- C42 H54 N14 O10 Zn2 -","2","1","EB2003","Sukhikh, Taisiya S.; Semitut, Evgeny Yu.; Potapov, Andrei S.","Crystal structure of a Zn complex with terephthalate and 1,6-bis(1,2,4-triazol-1-yl)hexane","Acta Crystallographica Section E","2018","74","1","6","9","10.1107/S2056989017017224","","","0.71073","MoKα","","0.0805","0.0467","","","0.1045","0.118","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","205728","2020-10-21","18:00:00",""
"2242349","5.8008","0.0019","9.636","0.003","10.676","0.004","87.766","0.003","86.33","0.004","82.042","0.004","589.5","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","<i>N</i>-(1-Deoxy-β-<i>D</i>-fructopyranos-1-yl)-2-aminoisobutyric acid","","","- C10 H19 N O7 -","- C10 H19 N O7 -","- C20 H38 N2 O14 -","2","2","ZS2396","Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.","Crystal structure and hydrogen bonding in <i>N</i>-(1-deoxy-β-<small>D</small>-fructopyranos-1-yl)-2-aminoisobutyric acid","Acta Crystallographica Section E","2018","74","1","72","77","10.1107/S2056989017018060","","","0.71073","MoKα","","0.0342","0.0325","","","0.0796","0.0814","","","","","","1.028","","","","has coordinates,has Fobs","205729","2020-10-21","18:00:00",""
"2242350","8.7573","0.0002","12.8372","0.0003","9.7103","0.0002","90","","107.265","0.001","90","","1042.44","0.04","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Triethylenetetraammonium hexachloridostannate(IV) dichloride dihydrate","","- C6 H26 Cl8 N4 O2 Sn -","- C6 H26 Cl8 N4 O2 Sn -","- C12 H52 Cl16 N8 O4 Sn2 -","2","0.5","TX2003","Bouchene, Rafika; Lecheheb, Zohir; Belhouas, Ratiba; Bouacida, Sofiane","Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C~6~H~22~N~4~)[SnCl~6~]Cl~2~·2H~2~O and (C~8~H~24~N~4~)[SnCl~6~]Cl~2~·2H~2~O","Acta Crystallographica Section E","2018","74","2","206","211","10.1107/S2056989018001044","","","0.71073","MoKα","","0.0308","0.0267","","","0.0625","0.0646","","","","","","1.174","","","","has coordinates","205873","2020-10-21","18:00:00",""
"2242351","7.0856","0.0002","7.3269","0.0002","12.1624","0.0004","93.614","0.002","101.357","0.001","117.021","0.002","543.01","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","1,4-Bis(2-ammonioethyl)piperazin-1,4-diium hexachloridostannate(IV) dichloride dihydrate","","- C8 H28 Cl8 N4 O2 Sn -","- C8 H28 Cl8 N4 O2 Sn -","- C8 H28 Cl8 N4 O2 Sn -","1","0.5","TX2003","Bouchene, Rafika; Lecheheb, Zohir; Belhouas, Ratiba; Bouacida, Sofiane","Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C~6~H~22~N~4~)[SnCl~6~]Cl~2~·2H~2~O and (C~8~H~24~N~4~)[SnCl~6~]Cl~2~·2H~2~O","Acta Crystallographica Section E","2018","74","2","206","211","10.1107/S2056989018001044","","","0.71073","MoKα","","0.0278","0.0251","","","0.0623","0.0641","","","","","","1.132","","","","has coordinates","205873","2020-10-21","18:00:00",""
"2242352","6.9065","0.0002","6.9065","0.0002","12.7802","0.0005","90","","90","","120","","527.94","0.03","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Potassium europium sulfate","Potassium europium(III) bis(sulfate) monohydrate","","- Eu K O9 S2 -","- Eu K O9 S2 -","- Eu3 K3 O27 S6 -","3","0.5","GW2157","Paul, Avijit Kumar","Synthesis and crystal structure of a new polymorph of potassium europium(III) bis(sulfate) monohydrate, KEu(SO~4~)~2~·H~2~O","Acta Crystallographica Section E","2018","74","2","242","245","10.1107/S2056989018000567","","","0.71073","MoKα","","0.0247","0.0237","","","0.058","0.0584","","","","","","1.069","","","","has coordinates,has Fobs","205874","2020-10-21","18:00:00",""
"2242353","17.1","0.006","4.744","0.002","13.662","0.004","90","","106.83","0.02","90","","1060.8","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide","","- C24 H8 F4 N2 O8 -","- C24 H8 F4 N2 O8 -","- C48 H16 F8 N4 O16 -","2","0.5","FY2124","Fusco, Sandra; Tuzi, Angela; Centore, Roberto; Carella, Antonio","Crystal structure of <i>N</i>,<i>N</i>'-bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide","Acta Crystallographica Section E","2018","74","2","225","228","10.1107/S2056989018001226","","","0.71073","MoKα","","0.1052","0.0484","","","0.0975","0.1195","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","205875","2020-10-21","18:00:00",""
"2242354","9.9357","0.0013","9.7571","0.0013","38.999","0.005","90","","93.586","0.002","90","","3773.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium","","- C44 H51 Al O2 -","- C44 H51 Al O2 -","- C176 H204 Al4 O8 -","4","1","PJ2049","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Shlyahtin, Andrei V.","[4-<i>tert</i>-Butyl-2,6-bis(diphenylmethyl)phenolato-κ<i>O</i>]diethyl(tetrahydrofuran-κ<i>O</i>)aluminium","Acta Crystallographica Section E","2018","74","2","221","224","10.1107/S2056989018001172","","","0.71073","MoKα","","0.0683","0.0518","","","0.13","0.1398","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2242355","13.9203","0.0014","7.0285","0.0006","15.4294","0.0014","90","","114.544","0.012","90","","1373.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-Diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate","2,6-Diamino-4-chloropyrimidin-1-ium 2-chloro-6-hydroxybenzoate","","- C11 H10 Cl2 N4 O3 -","- C11 H10 Cl2 N4 O3 -","- C44 H40 Cl8 N16 O12 -","4","1","ZL2723","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2018","74","2","237","241","10.1107/S2056989018001196","","","0.71073","MoKα","","0.0785","0.0475","","","0.109","0.1278","","","","","","1.036","","","","has coordinates,has Fobs","205877","2020-10-21","18:00:00",""
"2242356","9.1696","0.0004","13.0848","0.0007","9.9663","0.0005","90","","90.526","0.005","90","","1195.73","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","","- C18 H18 Cl2 N8 O6 S2 -","- C18 H18 Cl2 N8 O6 S2 -","- C36 H36 Cl4 N16 O12 S4 -","2","0.5","ZL2723","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular interactions in 2,6-diamino-4-chloropyrimidin-1-ium 5-chlorosalicylate and bis(2,6-diamino-4-chloropyrimidin-1-ium) naphthalene-1,5-disulfonate","Acta Crystallographica Section E","2018","74","2","237","241","10.1107/S2056989018001196","","","0.71073","MoKα","","0.0472","0.0381","","","0.0962","0.1022","","","","","","1.049","","","","has coordinates,has Fobs","205877","2020-10-21","18:00:00",""
"2242357","11.6347","0.0007","16.5121","0.0009","24.5577","0.0017","90","","90","","90","","4717.9","0.5","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","Triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)","","- C15 H18 Ce F9 O9 -","- C15 H18 Ce F9 O9 -","- C120 H144 Ce8 F72 O72 -","8","1","VN2133","Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo","Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound","Acta Crystallographica Section E","2018","74","2","229","232","10.1107/S2056989018001135","","","0.71073","MoKα","","0.0483","0.0357","","","0.0869","0.0922","","","","","","1.113","","","","has coordinates,has disorder,has Fobs","205878","2020-10-21","18:00:00",""
"2242358","11.6906","0.0004","13.2597","0.0003","12.6351","0.0004","90","","112.829","0.004","90","","1805.19","0.11","100","2","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","Poly[[tetra-μ~3~-iodido-μ~2~-iodido-bis(μ~3~-piperidine-1-dithiocarbamato)propionitrilepentacopper(I)nickel(II)] chloroform monosolvate]","","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C16 H26 Cl3 Cu5 I5 N3 Ni S4 -","- C32 H52 Cl6 Cu10 I10 N6 Ni2 S8 -","2","0.5","IS5484","Himoto, Kento; Horii, Toshiya; Oda, Shoki; Suzuki, Shimpei; Sugimoto, Kunihisa; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi","Crystal structure of a new mixed-metal coordination polymer consisting of Ni^II^ piperidine-dithiocarbamate and pentanuclear Cu^I^—I cluster units","Acta Crystallographica Section E","2018","74","2","233","236","10.1107/S2056989018000750","","","0.71073","MoKα","","0.025","0.0206","","","0.0467","0.048","","","","","","1.021","","","","has coordinates,has Fobs","205879","2020-10-21","18:00:00",""
"2242359","5.2918","0.0003","7.1666","0.0004","8.4205","0.0007","92.069","0.006","104.165","0.006","97.172","0.005","306.47","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-Aminobenzenaminium 5-carboxypentanoate","4-Aminoanilinium 5-carboxypentanoate","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","1","0.5","","Mishra, Risha; Rangan, Krishnan; Pallepogu, Raghavaiah","Crystal structure of a new molecular salt: 4-aminobenzenaminium 5-carboxypentanoate","Acta Crystallographica Section E","2018","74","2","201","205","10.1107/S2056989018000737","","","0.71073","MoKα","","0.0355","0.0339","","","0.0909","0.0923","","","","","","1.079","","","","has coordinates","205880","2020-10-21","18:00:00",""
"2242360","9.4262","0.0006","13.3761","0.0008","17.7998","0.0013","90","","90.068","0.007","90","","2244.3","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphecane-2,5-dithione","","- C18 H22 O4 P2 S4 -","- C18 H22 O4 P2 S4 -","- C72 H88 O16 P8 S16 -","4","1","ZP2026","Przychodzeń, Witold; Chojnacki, Jarosław","Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues","Acta Crystallographica Section E","2018","74","2","212","216","10.1107/S2056989018001068","","","0.71073","MoKα","","0.0972","0.0824","","","0.2223","0.2406","","","","","","1.05","","","","has coordinates,has Fobs","205881","2020-10-21","18:00:00",""
"2242361","7.2415","0.0003","7.2415","0.0003","39.516","0.002","90","","90","","90","","2072.19","0.16","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","2,5-Bis(4-methoxyphenyl)-1,6,3,4,2λ^5^,5λ^5^-dioxadithiadiphosphocane-2,5-dithione","","- C16 H18 O4 P2 S4 -","- C16 H18 O4 P2 S4 -","- C64 H72 O16 P8 S16 -","4","0.5","ZP2026","Przychodzeń, Witold; Chojnacki, Jarosław","Crystal structures of eight- and ten-membered cyclic bisanisylphosphonothioyl disulfanes and comparison with their <i>P</i>-ferrocenyl analogues","Acta Crystallographica Section E","2018","74","2","212","216","10.1107/S2056989018001068","","","0.71073","MoKα","","0.0426","0.038","","","0.0901","0.0921","","","","","","1.088","","","","has coordinates,has Fobs","205881","2020-10-21","18:00:00",""
"2242362","8.8108","0.0003","14.9044","0.0004","9.3583","0.0003","90","","113.391","0.004","90","","1127.93","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-1-{(<i>E</i>)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea","","- C10 H14 N4 S -","- C10 H14 N4 S -","- C40 H56 N16 S4 -","4","1","HB7729","Lai, Lee Chin; Rahman, Che Nursarah Binti Che Abdul; Tahir, M. Ibrahim M.; Ravoof, Thahira B. S. A.; Jotani, Mukesh M.; Tiekink, Edward R. T.","3-Methyl-1-{(<i>E</i>)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","2","256","260","10.1107/S2056989018001305","","","1.5418","CuKα","","0.0388","0.0348","","","0.0935","0.0973","","","","","","1.019","","","","has coordinates,has Fobs","206008","2020-10-21","18:00:00",""
"2242363","7.7034","0.0006","9.1228","0.0007","13.6833","0.0011","90","","98.845","0.008","90","","950.18","0.13","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)","","- C7 H17 Al O -","- C7 H17 Al O -","- C28 H68 Al4 O4 -","4","1","LH5865","Brieger, Lukas; Hermann, Andreas; Unkelbach, Christian; Strohmann, Carsten","Crystal structure and quantum-chemical calculations of a trimethylaluminium‒THF adduct","Acta Crystallographica Section E","2018","74","2","267","270","10.1107/S2056989018001275","","","0.71073","MoKα","","0.0625","0.0539","","","0.1477","0.1518","","","","","","1.086","","","","has coordinates,has Fobs","206009","2020-10-21","18:00:00",""
"2242364","21.145","0.004","14.738","0.003","15.471","0.003","90","","112.47","0.03","90","","4455.3","1.8","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[1-(5-Bromo-2-oxidobenzylidene)thiosemicarbazidato](4-bromo-2-{[2-(pyridin-2-yl)hydrazinylidene]methyl}phenolato)iron(III)","","- C20 H15 Br2 Fe N6 O2 S -","- C20 H15 Br2 Fe N6 O2 S -","- C160 H120 Br16 Fe8 N48 O16 S8 -","8","1","KQ2017","Zhao, Yun; Shen, Xiao-Feng; Zhang, Li-Fang","A new mononuclear neutral high-spin iron(III) complex with the different tridentate ligands 5-bromosalicylaldehyde (pyridin-2-yl)hydrazone and 5-bromosalicylaldehyde thiosemicarbazone","Acta Crystallographica Section E","2018","74","2","252","255","10.1107/S2056989018001263","","","0.71073","MoKα","","0.0767","0.0475","","","0.0947","0.1064","","","","","","0.998","","","","has coordinates,has Fobs","206010","2020-10-21","18:00:00",""
"2242365","19.408","0.004","13.518","0.003","21.714","0.004","90","","100.16","0.03","90","","5607","2","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triethylammonium 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl]-2-oxo-2<i>H</i>-chromen-4-olate","","- C32 H33 N O8 -","- C32 H33 N O8 -","- C256 H264 N8 O64 -","8","1","LH5866","Ikram, Muhammad; Rehman, Sadia; Khan, Afzal; Schulzke, Carola","Crystal structure of the triethylammonium salt of 3-[(4-hydroxy-3-methoxyphenyl)(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)methyl]-2-oxo-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2018","74","3","282","286","10.1107/S2056989018001561","","","0.71073","MoKα","","0.0825","0.0439","","","0.1092","0.1217","","","","","","0.895","","","","has coordinates,has Fobs","206076","2020-10-21","18:00:00",""
"2242366","35.5034","0.0008","10.5199","0.0001","35.7432","0.0008","90","","113.864","0.002","90","","12208.5","0.4","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III)","","- C92 H92 Fe4 N32 O12 S20 -","- C92 H92 Fe4 N32 O12 S20 -","- C368 H368 Fe16 N128 O48 S80 -","4","0.5","WM5434","Jochim, Aleksej; Jess, Inke; Näther, Christian","Crystal structure of octakis(4-methoxypyridinium) bis(4-methoxypyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III) bis[(4-methoxypyridine-κ<i>N</i>)pentakis(thiocyanato-κ<i>N</i>)ferrate(III)] hexakis(thiocyanato-κ<i>N</i>)ferrate(III) with iron in three different octahedral coordination environments","Acta Crystallographica Section E","2018","74","3","287","291","10.1107/S2056989018001883","","","0.71073","MoKα","","0.0477","0.0401","","","0.1019","0.1061","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","206077","2020-10-21","18:00:00",""
"2242367","9.1918","0.0007","20.3575","0.0014","7.2721","0.0005","90","","96.36","0.002","90","","1352.4","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Chlorophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazide","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0592","0.0521","","","0.1158","0.1173","","","","","","1.22","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242368","9.4479","0.0007","20.2175","0.0014","7.2552","0.0005","90","","96.9343","0.0013","90","","1375.7","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O S -","- C14 H13 Br N2 O S -","- C56 H52 Br4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0281","0.0247","","","0.0617","0.0637","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242369","4.2194","0.0002","13.0131","0.0009","25.0758","0.0018","90","","93.752","0.004","90","","1373.9","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71075","MoKα","","0.193","0.1164","","","0.2616","0.2965","","","","","","1.164","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242370","6.7454","0.0005","20.2993","0.0014","10.1592","0.0007","90","","97.51","0.002","90","","1379.14","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O S -","- C14 H13 Cl N2 O S -","- C56 H52 Cl4 N8 O4 S4 -","4","1","SJ5543","Cardoso, Laura N. F.; Noguiera, Thais C. M.; Wardell, James L.; de Souza, Marcus V. N.; Harrison, William T. A.","Different packing motifs of isomeric (<i>E</i>)-<i>N</i>'-(halophenylmethylidene)-<i>N</i>-methyl-2-(thiophen-2-yl)acetohydrazides controlled by C—H···O interactions","Acta Crystallographica Section E","2018","74","3","313","318","10.1107/S2056989018001251","","","0.71073","MoKα","","0.0351","0.0329","","","0.0898","0.0912","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","206295","2020-10-21","18:00:00",""
"2242371","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM-56; 3-(4-Bromophenyl)-1,5-diphenylformazan","<i>N</i>'-Anilino-4-bromo-<i>N</i>-(phenylimino)benzene-1-carboximidamide","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","206296","2020-10-21","18:00:00",""
"2242372","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM61; 3-(4-Bromophenyl)-1,5-diphenylverdazyl radical","6-(4-Bromophenyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazin-1-yl","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242373","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","AM58NL","5-Anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","LH5869","Schnakenburg, Gregor; Meyer, Andreas","Syntheses, spectroscopy, and crystal structures of 3-(4-bromophenyl)-1,5-diphenylformazan and the 3-(4-bromophenyl)-1,5-diphenylverdazyl radical and the crystal structure of the by-product 5-anilino-3-(4-bromophenyl)-1-phenyl-1<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2018","74","3","292","297","10.1107/S2056989018001913","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates,has Fobs","206296","2020-10-21","18:00:00",""
"2242374","8.335","0.003","13.929","0.005","12.184","0.004","90","","95.902","0.01","90","","1407","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-{[2-(4-Hydroxybenzoyl)hydrazin-1-ylidene]methyl}pyridin-1-ium nitrate","","- C13 H12 N4 O5 -","- C13 H12 N4 O5 -","- C52 H48 N16 O20 -","4","1","SU5422","Naziri, Mir Abolfazl; Şahin, Ertan; Hökelek, Tuncer","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{[2-(4-hydroxybenzoyl)hydrazin-1-ylidene]methyl}pyridin-1-ium nitrate","Acta Crystallographica Section E","2018","74","3","323","327","10.1107/S2056989018002141","","","0.71073","MoKα","","0.0738","0.0486","","","0.1285","0.1485","","","","","","1.038","","","","has coordinates,has Fobs","206297","2020-10-21","18:00:00",""
"2242375","8.3182","0.0013","9.613","0.0015","15.595","0.002","81.767","0.002","82.776","0.002","87.183","0.002","1223.8","0.3","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]","","- C30 H50 Cl6 Co3 N2 O6 S6 -","- C30 H50 Cl6 Co3 N2 O6 S6 -","- C30 H50 Cl6 Co3 N2 O6 S6 -","1","0.5","LH5868","Brescia, Tyler K.; Mulosmani, Kaltrina; Gulati, Shivani; Athanasopoulos, Demosthenes; Upmacis, Rita K.","Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]","Acta Crystallographica Section E","2018","74","3","309","312","10.1107/S2056989018001652","","","0.71073","MoKα","","0.0824","0.0445","","","0.1008","0.1161","","","","","","1.024","","","","has coordinates,has Fobs","206298","2020-10-21","18:00:00",""
"2242376","8.4632","0.0017","10.993","0.002","20.52","0.004","90","","99.6","0.03","90","","1882.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dimethyl 4-ethyl-11-fluoro-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","","- C20 H23 F N2 O4 -","- C20 H23 F N2 O4 -","- C80 H92 F4 N8 O16 -","4","1","KQ2018","Toze, Flavien A. A.; Listratova, Anna V.; Voskressensky, Leonid G.; Chernikova, Natalia Yu.; Lobanov, Nikolai N.; Bilyachenko, Alexey N.; Dorovatovskii, Pavel V.","Design of new anti-Alzheimer drugs: ring-expansion synthesis and synchrotron X-ray diffraction study of dimethyl 4-ethyl-11-fluoro-1,4,5,6,7,8-hexahydroazonino[5,6-<i>b</i>]indole-2,3-dicarboxylate","Acta Crystallographica Section E","2018","74","3","298","301","10.1107/S2056989018001329","","","0.9699","synchrotron","","0.1046","0.0716","","","0.1625","0.1841","","","","","","1.009","","","","has coordinates,has Fobs","206299","2020-10-21","18:00:00",""
"2242377","15.3405","0.0008","6.5204","0.0002","15.3612","0.001","90","","98.716","0.005","90","","1518.78","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol","","- C16 H16 Br N O3 -","- C16 H16 Br N O3 -","- C64 H64 Br4 N4 O12 -","4","1","XU5918","Özek Yıldırım, Arzu; Gülsu, Murat; Albayrak Kaştaş, Çiğdem","Synthesis, crystal structure and computational studies of a new Schiff base compound: (<i>E</i>)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2018","74","3","319","322","10.1107/S2056989018002062","","","0.71073","MoKα","","0.0589","0.0415","","","0.0847","0.0911","","","","","","1.063","","","","has coordinates,has Fobs","206300","2020-10-21","18:00:00",""
"2242378","8.5553","0.0012","11.4379","0.0016","17.333","0.002","101.247","0.002","98.392","0.001","104.99","0.002","1572","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1,2-Bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene","","- C38 H40 Br2 N2 -","- C38 H40 Br2 N2 -","- C76 H80 Br4 N4 -","2","1","EX2004","Feng, Ying; Guo, Wei; Liu, Zhi; Luo, Xinyu; Zhang, Dingchao; Li, Li; Cui, Deliang","Crystal structure of (<i>E</i>)-1,2-bis(6-bromo-9-hexyl-9<i>H</i>-carbazol-3-yl)ethene","Acta Crystallographica Section E","2018","74","3","337","340","10.1107/S2056989018002098","","","0.71073","MoKα","","0.0448","0.0312","","","0.0926","0.1064","","","","","","0.768","","","","has coordinates,has Fobs","206429","2020-10-21","18:00:00",""
"2242379","5.7882","0.0001","9.2095","0.0002","20.2485","0.0004","90","","91.701","0.001","90","","1078.9","0.04","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate","","- C10 H11 Br N2 O2 -","- C10 H11 Br N2 O2 -","- C40 H44 Br4 N8 O8 -","4","1","ZL2721","Heintz, Katharina; Görls, Helmar; Imhof, Wolfgang","2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate","Acta Crystallographica Section E","2018","74","3","341","344","10.1107/S2056989018002347","","","0.71073","MoKα","","0.0283","0.023","","","0.0495","0.0524","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","206430","2020-10-21","18:00:00",""
"2242380","7.928","0.005","4.843","0.003","11.444","0.007","90","","94.03","0.05","90","","438.3","0.5","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>E</i>)-1-naphthaldehyde oxime","(<i>E</i>)-1-Naphthaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C22 H18 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.1179","0.0551","","","0.0825","0.0983","","","","","","1.063","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242381","8.2397","0.0008","4.9728","0.0005","13.9332","0.0014","90","","106.68","0.007","90","","546.88","0.1","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>E</i>-phenanthrene-9-carbaldehyde oxime","(<i>E</i>)-Phenanthrene-9-carbaldehyde oxime","","- C15 H11 N O -","- C15 H11 N O -","- C30 H22 N2 O2 -","2","1","ZS2397","Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher","Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime","Acta Crystallographica Section E","2018","74","3","332","336","10.1107/S2056989018002116","","","0.71073","MoKα","","0.0634","0.04","","","0.0833","0.0933","","","","","","1.041","","","","has coordinates,has Fobs","206431","2020-10-21","18:00:00",""
"2242382","3.9455","0.0003","6.0809","0.0005","14.6836","0.0011","82.653","0.006","88.638","0.006","84.601","0.007","347.82","0.05","298","0.1","298","0.1","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1,4-Bis(4-chlorophenyl)but-2-ene-1,4-dione","","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","- C16 H10 Cl2 O2 -","1","0.5","ZL2724","Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.","Synthesis and crystal structures of (2<i>E</i>)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2018","74","3","352","356","10.1107/S205698901800230X","","","0.71073","MoKα","","0.0549","0.0475","","","0.0997","0.1036","","","","","","1.155","","","","has coordinates,has Fobs","206432","2020-10-21","18:00:00",""
"2242383","14.4391","0.0007","3.9937","0.0002","12.7244","0.0007","90","","97.827","0.005","90","","726.92","0.07","298","0.1","298","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1,4-Bis(4-bromophenyl)but-2-ene-1,4-dione","","- C16 H10 Br2 O2 -","- C16 H10 Br2 O2 -","- C32 H20 Br4 O4 -","2","0.5","","Lastovickova, Dominika N.; La Scala, John J.; Sausa, Rosario C.","Synthesis and crystal structures of (2<i>E</i>)-1,4-bis(4-chlorophenyl)but-2-ene-1,4-dione and (2<i>E</i>)-1,4-bis(4-bromophenyl)but-2-ene-1,4-dione","Acta Crystallographica Section E","2018","74","3","352","356","10.1107/S205698901800230X","","","0.71073","MoKα","","0.0395","0.0292","","","0.0602","0.065","","","","","","1.078","","","","has coordinates,has Fobs","206432","2020-10-21","18:00:00",""
"2242384","15.8021","0.0008","7.4706","0.0004","17.8599","0.0009","90","","96.581","0.002","90","","2094.49","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","","- C26 H20 O5 -","- C26 H20 O5 -","- C104 H80 O20 -","4","1","IS5487","Jagadeesan, Gajendran; Chandramalar, Immanuel Monica; Karunakaran, Jayachandran; Gopinath, Solaiappan; Mohanakrishnan, Arasambattu K.","Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate","Acta Crystallographica Section E","2018","74","3","349","351","10.1107/S2056989018002360","","","0.71073","MoKα","","0.0588","0.0385","","","0.0962","0.1077","","","","","","1.026","","","","has coordinates,has Fobs","206433","2020-10-21","18:00:00",""
"2242385","12.434","0.0008","13.9981","0.001","14.4912","0.0009","77.86","0.004","67.57","0.004","64.036","0.004","2093.3","0.3","243","2","243","2","","","","","","","","7","P -1","-P 1","2","Fe4NiS6","Decacarbonyl(μ~3~-3,7-dithianonane-1,9-dithiolato)bis(μ~2~-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate","","- C25 H30 Cl4 Fe4 Ni O10 S8 -","- C25 H30 Cl4 Fe4 Ni O10 S8 -","- C50 H60 Cl8 Fe8 Ni2 O20 S16 -","2","1","","Ren, Gan; Sang, Ge","Synthesis and crystal structure of decacarbonyl(μ~3~-3,7-dithianonane-1,9-dithiolato)bis(μ~2~-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate","Acta Crystallographica Section E","2018","74","3","328","331","10.1107/S2056989018001731","","","0.71073","MoKα","","0.0445","0.0319","","","0.0685","0.0751","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","206434","2020-10-21","18:00:00",""
"2242386","3.9273","0.0018","17.881","0.008","14.739","0.007","90","","93.757","0.007","90","","1032.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","RCN","Methyl 3,5-dibromo-4-cyanobenzoate","","- C9 H5 Br2 N O2 -","- C9 H5 Br2 N O2 -","- C36 H20 Br8 N4 O8 -","4","1","LH5870","Noland, Wayland E.; Herzig, Ryan J.; Engwall, Abigail J.; Jensen, Renee C.; Tritch, Kenneth J.","Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate","Acta Crystallographica Section E","2018","74","3","345","348","10.1107/S2056989018002256","","","0.71073","MoKα","","0.0373","0.0263","","","0.0564","0.0593","","","","","","1.069","","","","has coordinates,has Fobs","206435","2020-10-21","18:00:00",""
"2242387","3.9233","0.0009","13.554","0.003","18.672","0.004","90","","90.002","0.003","90","","992.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","RNC","Methyl 3,5-dibromo-4-isocyanobenzoate","","- C9 H5 Br2 N O2 -","- C9 H5 Br2 N O2 -","- C36 H20 Br8 N4 O8 -","4","1","","Noland, Wayland E.; Herzig, Ryan J.; Engwall, Abigail J.; Jensen, Renee C.; Tritch, Kenneth J.","Crystal structures of methyl 3,5-dibromo-4-cyanobenzoate and methyl 3,5-dibromo-4-isocyanobenzoate","Acta Crystallographica Section E","2018","74","3","345","348","10.1107/S2056989018002256","","","0.71073","MoKα","","0.0322","0.0287","","","0.0673","0.0689","","","","","","1.024","","","","has coordinates,has Fobs","206435","2020-10-21","18:00:00",""
"2242388","16.602","0.006","15.546","0.006","7.915","0.003","90","","99.344","0.008","90","","2015.7","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-Bis[3-(trifluoromethyl)phenyl]-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C22 H13 F6 N O S -","- C22 H13 F6 N O S -","- C88 H52 F24 N4 O4 S4 -","4","1","HB7726","Yennawar, Hemant P.; Buchwalter, Michaela J.; Colburn, Baylee K.; Silverberg, Lee J.","Crystal structures of two 2,3-diaryl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2018","74","3","363","366","10.1107/S2056989018002049","","","0.71073","MoKα","","0.1922","0.1108","","","0.2624","0.3292","","","","","","0.913","","","","has coordinates,has disorder,has Fobs","206529","2020-10-21","18:00:00",""
"2242389","24.821","0.007","12.151","0.003","26.219","0.007","90","","112.47","0.004","90","","7307","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-Bis(4-methylphenyl)-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C22 H19 N O S -","- C22 H19 N O S -","- C352 H304 N16 O16 S16 -","16","2","","Yennawar, Hemant P.; Buchwalter, Michaela J.; Colburn, Baylee K.; Silverberg, Lee J.","Crystal structures of two 2,3-diaryl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-ones","Acta Crystallographica Section E","2018","74","3","363","366","10.1107/S2056989018002049","","","0.71073","MoKα","","0.0927","0.0578","","","0.1535","0.1735","","","","","","0.958","","","","has coordinates,has Fobs","206529","2020-10-21","18:00:00",""
"2242390","17.1509","0.0008","17.1509","0.0008","11.9033","0.0007","90","","90","","90","","3501.4","0.3","293","2","293","2","","","","","","","","4","I -4","I -4","82","6-Methoxy-9-methyl-12-(pyridin-3-yl)-8-oxa-10,11,13,15-tetraazatetracyclo\ [7.6.1.0^2,7^.0^10,14^]hexadeca-2(7),3,5,11,13-pentaene","7-Ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano-1,2,4]-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","","- C19 H19 N5 O2 -","- C19 H19 N5 O2 -","- C152 H152 N40 O16 -","8","1","XU5917","Aydemir, Ercan; Kansiz, Sevgi; Gumus, Mustafa Kemal; Gorobets, Nikolay Yu.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of 7-ethoxy-5-methyl-2-(pyridin-3-yl)-11,12-dihydro-5,11-methano[1,2,4]triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","Acta Crystallographica Section E","2018","74","3","367","370","10.1107/S2056989018002621","","","0.71073","MoKα","","0.0734","0.0419","","","0.0789","0.0879","","","","","","0.899","","","","has coordinates,has Fobs","206530","2020-10-21","18:00:00",""
"2242391","8.887","0.003","9.46","0.003","11.214","0.003","85.408","0.004","69.978","0.004","64.097","0.004","794.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis[chloridobis(3,4,5-trimethyl-1<i>H</i>-pyrazole-\ κ<i>N</i>^2^)copper(II)]","","- C24 H40 Cl4 Cu2 N8 -","- C24 H40 Cl4 Cu2 N8 -","- C24 H40 Cl4 Cu2 N8 -","1","0.5","VM2208","Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R.","Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2018","74","3","357","362","10.1107/S2056989018002359","","","0.71073","MoKα","","0.0844","0.0457","","","0.1188","0.1378","","","","","","0.881","","","","has coordinates,has Fobs","206531","2020-10-21","18:00:00",""
"2242392","20.107","0.007","7.8939","0.0016","20.472","0.004","90","","102.651","0.002","90","","3170.5","1.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Aquatetrakis(3,4,5-trimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)copper(II) dinitrate","","- C24 H42 Cu N10 O7 -","- C24 H42 Cu N10 O7 -","- C96 H168 Cu4 N40 O28 -","4","0.5","VM2208","Vincent, Collin J.; Giles, Ian D.; Deschamps, Jeffrey R.","Two Cu^II^ complexes of 3,4,5-trimethyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2018","74","3","357","362","10.1107/S2056989018002359","","","0.71073","MoKα","","0.069","0.0445","","","0.1209","0.1353","","","","","","0.906","","","","has coordinates,has Fobs","206531","2020-10-21","18:00:00",""
"2242393","9.0385","0.0003","12.2518","0.0004","10.5452","0.0003","90","","96.102","0.001","90","","1161.14","0.06","290","2","290","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(4-Nitrophenyl)methyl 2,3-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","HB7736","Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Garcia, Ariel L. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(4-Nitrophenyl)methyl 2,3-dihydro-1<i>H</i>-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","3","371","375","10.1107/S2056989018002451","","","0.71073","MoKα","","0.0482","0.0408","","","0.1098","0.1171","","","","","","1.089","","","","has coordinates,has Fobs","206645","2020-10-21","18:00:00",""
"2242394","7.6399","0.0005","10.5071","0.0007","14.9243","0.0011","90","","97.942","0.003","90","","1186.53","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-benzyloxime","","- C12 H12 N4 O3 -","- C12 H12 N4 O3 -","- C48 H48 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.069","0.047","","","0.1171","0.1261","","","","","","0.949","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242395","7.5484","0.0002","12.6442","0.0004","13.415","0.0009","90","","102.988","0.007","90","","1247.62","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-(4-fluorobenzyl) oxime","","- C12 H11 F N4 O3 -","- C12 H11 F N4 O3 -","- C48 H44 F4 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.044","0.0338","","","0.0906","0.0943","","","","","","1.09","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242396","7.6024","0.0002","12.7526","0.0003","13.8954","0.0005","90","","104.869","0.002","90","","1302.05","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-Methyl-5-nitro-1<i>H</i>-imidazole-2-carbaldehyde <i>O</i>-(4-bromobenzyl) oxime","","- C12 H11 Br N4 O3 -","- C12 H11 Br N4 O3 -","- C48 H44 Br4 N16 O12 -","4","1","MW2136","Osorio, Luis F. B.; Carvalho, Samir A.; da Silva, Edson F.; Fraga, Carlos A. M.; Wardell, Solange M. S. V.; Milne, Bruce F.; Wardell, James L.; Harrison, William T. A.","Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives","Acta Crystallographica Section E","2018","74","3","380","384","10.1107/S2056989018002876","","","0.71073","MoKα","","0.0528","0.0506","","","0.1384","0.1403","","","","","","1.113","","","","has coordinates,has Fobs","206646","2020-10-21","18:00:00",""
"2242397","13.083","0.0017","5.8746","0.0006","14.825","0.002","90","","101.521","0.004","90","","1116.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","ZL2725","Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Reinvestigation of the crystal structure of <i>N</i>-(4-chlorobenzylidene)-2-hydroxyaniline: a three-dimensional structure containing O—H···N, O—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section E","2018","74","3","376","379","10.1107/S205698901800244X","","","0.71073","MoKα","","0.0891","0.0421","","","0.0855","0.1058","","","","","","1.019","","","","has coordinates,has Fobs","206647","2020-10-21","18:00:00",""
"2242398","12.1129","0.0003","7.8973","0.0002","12.9253","0.0003","90","","94.93","0.001","90","","1231.85","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4a<i>R</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl 3-phenylprop-2-enoate","","- C29 H36 O5 -","- C29 H36 O5 -","- C58 H72 O10 -","2","1","IS5486","Ogbeide, K. Osahon; Kumar, Rajesh; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of the naturally occurring cassane-type diterpenoid, 6β-cinnamoyl-7β-hydroxyvouacapen-5α-ol","Acta Crystallographica Section E","2018","74","3","385","389","10.1107/S2056989018002499","","","1.54178","CuKα","","0.0398","0.0347","","","0.0819","0.0845","","","","","","1.004","","","","has coordinates,has Fobs","206648","2020-10-21","18:00:00",""
"2242399","8.24","0.001","10.631","0.001","13.72","0.002","108.15","0.01","98.36","0.01","105.07","0.01","1068.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C18 H20 Cl N5 O6 S -","- C18 H20 Cl N5 O6 S -","- C36 H40 Cl2 N10 O12 S2 -","2","1","RZ5227","Purandara, H.; Foro, S.; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-chloro-<i>N</i>-{2-[2-(4-nitrobenzylidene)hydrazin-1-yl]-2-oxoethyl}benzenesulfonamide <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2018","74","3","394","399","10.1107/S205698901800292X","","","0.71073","MoKα","","0.1402","0.0895","","","0.1464","0.1668","","","","","","1.319","","","","has coordinates,has Fobs","206649","2020-10-21","18:00:00",""
"2242400","10.5652","0.0007","7.9136","0.0006","20.8153","0.0013","90","","118.408","0.004","90","","1530.77","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-[({4-[(Pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Iskenderov, Turganbay S.","Crystal structure and DFT study of (<i>E</i>)-4-[({4-[(pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol","Acta Crystallographica Section E","2018","74","3","410","413","10.1107/S2056989018003043","","","0.71073","MoKα","","0.124","0.0404","","","0.0771","0.0922","","","","","","0.731","","","","has coordinates,has Fobs","206716","2020-10-21","18:00:00",""
"2242401","8.3169","0.0012","34.28","0.005","10.101","0.0014","90","","114.293","0.004","90","","2624.8","0.7","298","2","298.31","","","","","","","","","4","P 1 21 1","P 2yb","4","","(7<i>S</i>,9<i>S</i>)-7-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-4-Azaniumyl-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7<i>H</i>-tetracen-5,12-dione nitrate","","- C27 H30 N2 O14 -","- C27 H30 N2 O14 -","- C108 H120 N8 O56 -","4","2","WM5435","Mathivathanan, Logesh; Yang, Guang; Leng, Fenfei; Raptis, Raphael G.","Crystal structure and conformational analysis of doxorubicin nitrate","Acta Crystallographica Section E","2018","74","3","400","405","10.1107/S2056989018002955","","","0.71073","MoKα","","0.0951","0.0498","","","0.0814","0.093","","","","","","1.008","","","","has coordinates,has Fobs","206717","2020-10-21","18:00:00",""
"2242402","8.2226","0.0006","14.5382","0.0009","14.723","0.0008","90","","100.02","0.006","90","","1733.17","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Isopropyl-4-methoxy-5-methylphenyl 4-methylbenzenesulfonate","","- C18 H22 O4 S -","- C18 H22 O4 S -","- C72 H88 O16 S4 -","4","1","XU5919","Laamari, Yassine; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Kouili, Mostafa","Crystal structure of 2-isopropyl-4-methoxy-5-methylphenyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2018","74","3","419","421","10.1107/S2056989018003110","","","0.71073","MoKα","","0.0596","0.0419","","","0.098","0.1098","","","","","","1.055","","","","has coordinates,has Fobs","206718","2020-10-21","18:00:00",""
"2242403","10.3142","0.001","6.1114","0.0008","20.844","0.003","90","","92.83","0.01","90","","1312.3","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate","","- C28 H34 N2 O5 -","- C28 H34 N2 O5 -","- C56 H68 N4 O10 -","2","1","HB7734","Zukerman-Schpector, Julio; Soto-Monsalve, Monica; De Almeida Santos, Regina H.; Machado, Angelo H. L.; Correia, Carlos Roque D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1<i>H</i>-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis","Acta Crystallographica Section E","2018","74","3","414","418","10.1107/S2056989018003092","","","0.71073","MoKα","","0.1094","0.0562","","","0.1263","0.1437","","","","","","0.979","","","","has coordinates,has Fobs","206719","2020-10-21","18:00:00",""
"2242404","3.8064","0.0002","16.156","0.001","11.4585","0.0004","90","","93.472","0.004","90","","703.36","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyanophenylboronic acid","","- C7 H6 B N O2 -","- C7 H6 B N O2 -","- C28 H24 B4 N4 O8 -","4","1","","Cárdenas-Valenzuela, A. Jaquelin; González-García, Gerardo; Zárraga- Nuñez, Ramón; Höpfl, Herbert; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","Crystal structure and Hirshfeld surface analysis of 3-cyanophenylboronic acid","Acta Crystallographica Section E","2018","74","4","441","444","10.1107/S2056989018003146","","","0.71073","MoKα","","0.0441","0.0422","","","0.1089","0.1103","","","","","","1.088","","","","has coordinates,has Fobs","206761","2020-10-21","18:00:00",""
"2242405","7.4","0.05","12.87","0.05","13.92","0.05","90","","101.9","0.5","90","","1297","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>S</i>)-<i>N</i>-((<i>S</i>)-{(2<i>S</i>,4<i>R</i>,6<i>R</i>)-6-[(<i>S</i>)-2,3-Dihydroxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2<i>H</i>-pyran-2-yl}(hydroxy)methyl)-2-hydroxy-2-[(2<i>R</i>,5<i>R</i>,6<i>R</i>)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2<i>H</i>-pyran-2-yl]acetamide methanol monosolvate","","- C23 H43 N O10 -","- C23 H43 N O10 -","- C46 H86 N2 O20 -","2","1","","Szebenyi, D. Marian; Kriksunov, Irina; Howe, Kevin J.; Ramsey, John S.; Hall, David G.; Heck, Michelle L.; Krasnoff, Stuart B.","Crystal structure of diaphorin methanol monosolvate isolated from <i>Diaphorina citri</i> Kuwayama, the insect vector of citrus greening disease","Acta Crystallographica Section E","2018","74","4","445","449","10.1107/S2056989018002992","","","0.9768","synchrotron","","0.0443","0.0442","","","0.1092","0.1095","","","","","","1.063","","","","has coordinates,has Fobs","206762","2020-10-21","18:00:00",""
"2242406","7.39","0.004","15.373","0.004","15.387","0.004","90","","98.203","0.004","90","","1730.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)","","- C10 H16 Cl4 Co N6 -","- C10 H16 Cl4 Co N6 -","- C40 H64 Cl16 Co4 N24 -","4","1","HB7732","Ben Moussa, Oumaima; Chebbi, Hammouda; Zid, Mohamed Faouzi","Crystal structure and Hirshfeld surface analysis of bis(2,6-diaminopyridinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2018","74","4","436","440","10.1107/S2056989018003171","","","0.71073","MoKα","","0.0899","0.0436","","","0.0937","0.1098","","","","","","1.014","","","","has coordinates,has Fobs","206763","2020-10-21","18:00:00",""
"2242407","15.801","0.006","10.28","0.004","18.46","0.007","90","","90","","90","","2999","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(2<i>S</i>)-2-(3-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","1","HB7733","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.1223","0.0776","","","0.1954","0.2163","","","","","","1.188","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242408","8.6877","0.0017","9.6547","0.0019","18.137","0.004","90","","90","","90","","1521.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-2-(4-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.0534","0.0448","","","0.1151","0.1211","","","","","","1.012","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242409","10.2069","0.0003","6.3761","0.0002","23.2265","0.0007","90","","101.454","0.001","90","","1481.48","0.08","150","","150","","","","","","","","","4","C 1 2 1","C 2y","5","","2-Oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","","- C17 H15 N3 O3 -","- C17 H15 N3 O3 -","- C68 H60 N12 O12 -","4","1","FF2152","Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher","Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyldiazen-1-yl)benzoate","Acta Crystallographica Section E","2018","74","4","458","460","10.1107/S205698901800333X","","","1.34139","GaKα","","0.0767","0.0697","","","0.1913","0.2008","","","","","","1.096","","","","has coordinates,has Fobs","206840","2020-10-21","18:00:00",""
"2242410","20.113","0.0015","10.3898","0.0007","15.5934","0.0012","90","","97.452","0.002","90","","3231","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(20<i>S</i>)-21-[4-(2-Hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol","","- C32 H53 N3 O2 -","- C32 H53 N3 O2 -","- C128 H212 N12 O8 -","4","1","","Santalla, Hugo; Argibay, Saray","Crystal structure of (20<i>S</i>)-21-[4-(2-hydroxypropan-2-yl)-1<i>H</i>-1,2,3-triazol-4-yl]-20-(4-methylpentyl)-5-pregnen-3β-ol with an unknown solvate","Acta Crystallographica Section E","2018","74","4","465","468","10.1107/S2056989018003286","","","0.71073","MoKα","","0.0471","0.0444","","","0.1195","0.122","","","","","","1.024","","","","has coordinates,has disorder","206841","2020-10-21","18:00:00",""
"2242411","11.3306","0.0003","13.3638","0.0004","10.9821","0.0003","90","","91.996","0.002","90","","1661.9","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Chloroethyl)-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","SJ5546","Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.","Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones","Acta Crystallographica Section E","2018","74","4","483","486","10.1107/S2056989018003766","","","1.54184","CuKα","","0.0673","0.0546","","","0.1466","0.1584","","","","","","1.052","","","","has coordinates,has Fobs","206886","2020-10-21","18:00:00",""
"2242412","5.5105","0.0002","24.2612","0.0006","12.8622","0.0003","90","","93.809","0.003","90","","1715.77","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(2-chloroethyl)-<i>r</i>-2,<i>c</i>-6-bis(4-fluorophenyl)piperidin-4-one","","- C19 H18 Cl F2 N O -","- C19 H18 Cl F2 N O -","- C76 H72 Cl4 F8 N4 O4 -","4","1","SJ5546","Rajkumar, K.; Sivakumar, S.; Arulraj, R.; Kaur, Manpreet; Jasinski, Jerry P.; Manimekalai, A.; Thiruvalluvar, A.","Crystal structures of two new 3-(2-chloroethyl)-<i>r</i>(2),<i>c</i>(6)-diarylpiperidin-4-ones","Acta Crystallographica Section E","2018","74","4","483","486","10.1107/S2056989018003766","","","1.54184","CuKα","","0.0559","0.0464","","","0.1226","0.1314","","","","","","1.039","","","","has coordinates,has Fobs","206886","2020-10-21","18:00:00",""
"2242413","13.9135","0.0014","21.9492","0.001","6.4529","0.0006","90","","128.314","0.016","90","","1546.2","0.4","173","2","173","2","","","","","","","","6","C 1 m 1","C -2y","8","","2-Bromo-1,3-dimethylimidazolium iodide chloroform 0.33-solvate","","- C5.33333 H8.33333 Br Cl I N2 -","- C5.33333 H8.33333 Br Cl I N2 -","- C32 H50 Br6 Cl6 I6 N12 -","6","1.5","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0224","0.0183","","","0.0341","0.0349","","","","","","0.953","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242414","16.0223","0.0008","8.5334","0.0004","16.2881","0.0008","90","","101.59","0.001","90","","2181.58","0.18","193","2","193","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","2-Bromo-1,3-dimethylimidazolium iodide dichloromethane hemisolvate","","- C11 H18 Br2 Cl2 I2 N4 -","- C11 H18 Br2 Cl2 I2 N4 -","- C44 H72 Br8 Cl8 I8 N16 -","4","1","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0251","0.0224","","","0.0611","0.0628","","","","","","1.088","","","","has coordinates,has Fobs","206887","2020-10-21","18:00:00",""
"2242415","6.0861","0.0004","14.4773","0.0011","12.0303","0.0007","90","","97.812","0.005","90","","1050.16","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Bromo-1,3-dimethylimidazolium iodide hemi(diiodide)","","- C10 H16 Br2 I4 N4 -","- C10 H16 Br2 I4 N4 -","- C20 H32 Br4 I8 N8 -","2","0.5","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0406","0.0357","","","0.0787","0.0801","","","","","","1.343","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242416","19.79","0.004","19.95","0.004","20.225","0.004","90","","118.17","0.03","90","","7039","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)","","- C36 H49 Cl2 O2 P Ru -","- C36 H49 Cl2 O2 P Ru -","- C288 H392 Cl16 O16 P8 Ru8 -","8","2","SU5428","Makarova, Maria; Tsygankov, Alexey A.; Chusova, Olga; Linko, Ivan V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.","Synthesis, crystal structure and catalytic activity in reductive amination of dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2018","74","4","487","491","10.1107/S2056989018003821","","","0.9626","synchrotron","","0.0788","0.0591","","","0.1421","0.1598","","","","","","1.07","","","","has coordinates,has Fobs","206888","2020-10-21","18:00:00",""
"2242417","12.4644","0.0004","18.1145","0.0004","8.272","0.0003","90","","105.835","0.003","90","","1796.83","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4,5'-Diallyl-2,2',3'-trimethoxydiphenyl ether","1,2-Dimethoxy-3-[3-methoxy-5-(prop-2-en-1-yl)phenoxy]-5-(prop-2-en-1-yl)benzene","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","HB7741","Grecco, Simone S.; Jerz, Gerold; Lago, Joao Henrique G.; Jones, Peter G.","Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from <i>Nectandra leucantha</i> Nees and Mart (Lauraceae)","Acta Crystallographica Section E","2018","74","4","518","521","10.1107/S2056989018003717","","","0.71073","MoKα","","0.0475","0.04","","","0.0979","0.1023","","","","","","1.041","","","","has coordinates,has Fobs","206889","2020-10-21","18:00:00",""
"2242418","9.831","0.0017","10.7521","0.0018","11.3029","0.0019","67.146","0.002","73.586","0.002","78.768","0.002","1051.2","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one","","- C31 H20 O -","- C31 H20 O -","- C62 H40 O2 -","2","1","HB7739","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","(<i>E</i>)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study","Acta Crystallographica Section E","2018","74","4","492","496","10.1107/S2056989018003791","","","0.71073","MoKα","","0.1335","0.0572","","","0.1421","0.187","","","","","","1.004","","","","has coordinates,has Fobs","206890","2020-10-21","18:00:00",""
"2242419","6.056","0.002","7.363","0.003","36.761","0.012","90","","91.3","0.02","90","","1638.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-5-Benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C80 H64 Cl4 N4 O8 -","4","1","SU5426","Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine","Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","Acta Crystallographica Section E","2018","74","4","478","482","10.1107/S2056989018003687","","","0.71073","MoKα","","0.0865","0.0531","","","0.1278","0.1525","","","","","","1.051","","","","has coordinates","206891","2020-10-21","18:00:00",""
"2242420","5.5265","0.0006","20.1714","0.0019","17.027","0.002","90","","97.216","0.005","90","","1883.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-5-Benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","SU5426","Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine","Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate","Acta Crystallographica Section E","2018","74","4","478","482","10.1107/S2056989018003687","","","0.71073","MoKα","","0.1077","0.047","","","0.1008","0.1243","","","","","","0.999","","","","has coordinates","206891","2020-10-21","18:00:00",""
"2242421","7.766","0.0007","13.6716","0.0013","6.8655","0.0007","90","","95.237","0.003","90","","725.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(hydrazinium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C6 H10 N16 O4 -","- C6 H10 N16 O4 -","- C12 H20 N32 O8 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0362","0.031","","","0.0769","0.081","","","","","","1.035","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242422","5.1011","0.0009","18.494","0.003","7.0044","0.0013","90","","92.624","0.002","90","","660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(hydroxyammonium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C6 H8 N14 O6 -","- C6 H8 N14 O6 -","- C12 H16 N28 O12 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0413","0.0338","","","0.0912","0.0962","","","","","","1.08","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242423","6.0946","0.0006","8.5197","0.0008","9.2814","0.0009","68.259","0.003","75.957","0.003","74.816","0.003","426.28","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethylammonium 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C10 H16 N14 O4 -","- C10 H16 N14 O4 -","- C10 H16 N14 O4 -","1","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.038","0.0319","","","0.0803","0.0848","","","","","","1.044","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242424","24.783","0.002","12.7081","0.0011","6.8396","0.0006","90","","96.289","0.001","90","","2141.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(5-amino-1<i>H</i>-tetrazol-4-ium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C8 H16 N22 O8 -","- C8 H16 N22 O8 -","- C32 H64 N88 O32 -","4","1","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0497","0.0356","","","0.103","0.1262","","","","","","1.139","","","","has coordinates,has Fobs","206892","2020-10-21","18:00:00",""
"2242425","7.9458","0.0004","5.5586","0.0002","20.6066","0.0009","90","","97.647","0.002","90","","902.05","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(aminoguanidinium) 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate)","","- C8 H14 N20 O4 -","- C8 H14 N20 O4 -","- C16 H28 N40 O8 -","2","0.5","PK2606","Giles, Ian D.; DeHope, Alan J.; Zuckerman, Nathaniel B.; Parrish, Damon A.; Pagoria, Philip F.","Effect of counter-ion on packing and crystal density of 5,5'-(3,3'-bi[1,2,4-oxadiazole]-5,5'-diyl)bis(1<i>H</i>-tetrazol-1-olate) with five different cations","Acta Crystallographica Section E","2018","74","4","505","513","10.1107/S205698901800364X","","","0.71073","MoKα","","0.0506","0.0454","","","0.1284","0.1341","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","206892","2020-10-21","18:00:00",""
"2242426","10.3581","0.0001","13.4039","0.0001","26.1689","0.0002","90","","90","","90","","3633.26","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Naloxegol hydrogen oxalate","(5α,6α)-6-[(2,5,8,11,14,17,20-Heptaoxadocosan-22-yl)oxy]-3,14-dihydroxy-17-\ (prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium hydrogen oxalate","","- C36 H55 N O15 -","- C36 H55 N O15 -","- C144 H220 N4 O60 -","4","1","FY2125","Gelbrich, Thomas; Langes, Christoph; Stefinovic, Marijan; Griesser, Ulrich J.","Naloxegol hydrogen oxalate displaying an hydrogen-bonded layer structure","Acta Crystallographica Section E","2018","74","4","474","477","10.1107/S2056989018003675","","","1.54184","CuKα","","0.0484","0.0476","","","0.1251","0.1262","","","","","","1.034","","","","has coordinates,has Fobs","206893","2020-10-21","18:00:00",""
"2242427","9.6903","0.0013","15.668","0.002","17.985","0.002","86.43","0.005","74.848","0.004","88.97","0.005","2630.6","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride‒acetonitrile‒methanol (1/1/1)","","- C23 H40 Cl2 Co N5 O -","- C23 H40 Cl2 Co N5 O -","- C92 H160 Cl8 Co4 N20 O4 -","4","2","VM2209","Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong","Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide","Acta Crystallographica Section E","2018","74","4","522","529","10.1107/S2056989018003997","","","0.71073","MoKα","","0.1142","0.0867","","","0.2119","0.241","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206944","2020-10-21","18:00:00",""
"2242428","12.0263","0.0007","12.3999","0.0005","21.9164","0.0014","90","","105.326","0.0014","90","","3152.1","0.3","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(5,12-Dimethyl-1,4,8,11-tetraazacyclotetradecane)bis(phenylethynyl)cobalt(III) trifluoromethanesulfonate‒dichloromethane (2/1)","","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C59 H78 Cl2 Co2 F6 N8 O6 S2 -","- C118 H156 Cl4 Co4 F12 N16 O12 S4 -","2","1","VM2209","Oxley, Benjamin M.; Mash, Brandon; Zeller, Matthias; Banziger, Susannah; Ren, Tong","Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide","Acta Crystallographica Section E","2018","74","4","522","529","10.1107/S2056989018003997","","","0.71073","MoKα","","0.0519","0.034","","","0.0721","0.0779","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","206944","2020-10-21","18:00:00",""
"2242429","18.684","0.002","6.5431","0.0005","13.6688","0.0014","90","","93.627","0.011","90","","1667.7","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin ester","2-Oxo-2<i>H</i>-chromen-7-yl 4-<i>tert</i>-butylbenzoate","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","SJ5549","Ouédraogo, Mohammad; Abou, Akoun; Djandé, Abdoulaye; Ouari, Olivier; Zoueu, T. Jérémie","2-Oxo-2<i>H</i>-chromen-7-yl 4-<i>tert</i>-butylbenzoate","Acta Crystallographica Section E","2018","74","4","530","534","10.1107/S2056989018004188","","","1.54184","CuKα","","0.0942","0.0569","","","0.161","0.2015","","","","","","1.009","","","","has coordinates,has Fobs","206982","2020-10-21","18:00:00",""
"2242430","14.9964","0.0004","15.107","0.0004","16.0026","0.0004","91.6815","0.0013","117.608","0.0011","99.1383","0.0012","3149.79","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate","","- C46 H64 O S12 Si3 -","- C46 H64 O S12 Si3 -","- C92 H128 O2 S24 Si6 -","2","1","NK2246","Fleck, Nico; Schnakenburg, Gregor; Filippou, Alexander C.; Schiemann, Olav","Tris[2,2,6,6-tetramethyl-8-(trimethylsilyl)benzo[1,2-<i>d</i>;4,5-<i>d</i>']bis(1,3-dithiol)-4-yl]methanol diethyl ether monosolvate","Acta Crystallographica Section E","2018","74","4","539","542","10.1107/S2056989018004516","","","1.54178","CuKα","","0.072","0.0641","","","0.1726","0.1833","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","207092","2020-10-21","18:00:00",""
"2242431","11.431","0.004","6.918","0.002","13.469","0.004","90","","103.686","0.004","90","","1034.9","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cesium Bistriflimide","Poly[[μ~4~-bis[(trifluoromethyl)sulfonyl]imido]caesium(I)]","","- C2 Cs F6 N O4 S2 -","- C2 Cs F6 N O4 S2 -","- C8 Cs4 F24 N4 O16 S8 -","4","1","WM5433","Stritzinger, Jared T.; Droessler, Janelle E.; Scott, Brian L.; Goff, George S.","Cs[Tf~2~N]: a second polymorph with a layered structure","Acta Crystallographica Section E","2018","74","4","551","554","10.1107/S2056989018004401","","","0.71073","MoKα","","0.0317","0.0221","","","0.0527","0.0577","","","","","","0.992","","","","has coordinates,has Fobs","207093","2020-10-21","18:00:00",""
"2242432","6.0814","0.0001","21.5212","0.0004","14.8312","0.0003","90","","91.2496","0.0011","90","","1940.63","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-Bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","VM2210","Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon","Crystal structure of 2,3-bis(4-methylphenyl)benzo[<i>g</i>]quinoxaline","Acta Crystallographica Section E","2018","74","4","548","550","10.1107/S2056989018004413","","","0.71073","MoKα","","0.1071","0.0488","","","0.1016","0.1238","","","","","","1.005","","","","has coordinates,has Fobs","207094","2020-10-21","18:00:00",""
"2242433","3.7856","0.0004","28.393","0.003","9.6324","0.0009","90","","93.824","0.003","90","","1033.03","0.18","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[2-(1,3-Thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate","","- C8 H10 N6 O S -","- C8 H10 N6 O S -","- C32 H40 N24 O4 S4 -","4","1","WM5438","Chotima, Ratanon; Boonseng, Bussaba; Piyasaengthong, Akkharadet; Songsasen, Apisit; Chainok, Kittipong","Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate","Acta Crystallographica Section E","2018","74","4","563","565","10.1107/S2056989018004693","","","0.71073","MoKα","","0.0822","0.0607","","","0.1127","0.1212","","","","","","1.172","","","","has coordinates,has Fobs","207156","2020-10-21","18:00:00",""
"2242434","16.5434","0.0003","6.79456","0.00011","18.139","0.0004","90","","110.865","0.002","90","","1905.21","0.07","150.15","","150.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","Gallic Acid Tris-Caffeine hexahydrate","","- C31 H48 N12 O17 -","- C31 H48 N12 O17 -","- C62 H96 N24 O34 -","2","1","LH5871","Vella-Zarb, L.; Baisch, U.","Crystal water as the molecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexahydrate","Acta Crystallographica Section E","2018","74","4","559","562","10.1107/S2056989018004528","","","0.71073","MoKα","","0.0372","0.033","","","0.0812","0.0864","","","","","","1.043","","","","has coordinates,has Fobs","207157","2020-10-21","18:00:00",""
"2242435","6.618","0.0003","7.1197","0.0003","34.7351","0.0015","90","","90","","90","","1636.65","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-Methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","IS5494","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","Crystal structure of ({-})-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","Acta Crystallographica Section E","2018","74","4","555","558","10.1107/S2056989018004425","","","0.71073","MoKα","","0.0355","0.0332","","","0.0678","0.0694","","","","","","1","","","","has coordinates,has Fobs","207158","2020-10-21","18:00:00",""
"2242436","21.2458","0.0015","10.232","0.0008","14.8428","0.0011","90","","118.808","0.004","90","","2827.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","lamotrigine ethanolate","","","- C11 H13 Cl2 N5 O -","- C11 H13 Cl2 N5 O -","- C88 H104 Cl16 N40 O8 -","8","1","FY2126","Hall, Charlie L.; Potticary, Jason; Sparkes, Hazel A.; Pridmore, Natalie E.; Hall, Simon R.","Lamotrigine ethanol monosolvate","Acta Crystallographica Section E","2018","74","5","678","681","10.1107/S2056989018005819","","","0.71073","MoKα","","0.1041","0.0979","","","0.2318","0.234","","","","","","1.411","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2242437","8.3251","0.0007","17.4731","0.0011","11.0495","0.0009","90","","98.716","0.007","90","","1588.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tri-2-pyridylamine)iron(II) bis(perchlorate)","","- C30 H24 Cl2 Fe N8 O8 -","- C30 H24 Cl1.998 Fe N8 O7.992 -","- C60 H48 Cl3.996 Fe2 N16 O15.984 -","2","0.5","SU5436","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher","Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder","Acta Crystallographica Section E","2018","74","5","668","672","10.1107/S2056989018005601","","","0.71073","MoKα","","0.0918","0.0492","","","0.1","0.1142","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","207543","2020-10-21","18:00:00",""
"2242438","8.36","0.004","17.57","0.008","11.165","0.005","90","","99.542","0.005","90","","1617.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(tri-2-pyridylamine)nickel(II) bis(perchlorate)","","- C30 H24 Cl2 N8 Ni O8 -","- C30 H24 Cl2 N8 Ni O8 -","- C60 H48 Cl4 N16 Ni2 O16 -","2","0.5","SU5436","Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher","Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder","Acta Crystallographica Section E","2018","74","5","668","672","10.1107/S2056989018005601","","","0.71073","MoKα","","0.0737","0.0431","","","0.0986","0.1093","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","207543","2020-10-21","18:00:00",""
"2242439","7.712","0.002","6.7898","0.0018","14.348","0.004","90","","98.533","0.005","90","","743","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Dichloridobis(imidazo[1,2-<i>a</i>]pyridine-κ<i>N</i>^1^)cobalt(II)","","- C14 H12 Cl2 Co N4 -","- C14 H12 Cl2 Co N4 -","- C28 H24 Cl4 Co2 N8 -","2","0.5","XI2004","Seth, Saikat Kumar","Structural characterization and Hirshfeld surface analysis of a Co^II^ complex with imidazo[1,2-<i>a</i>]pyridine","Acta Crystallographica Section E","2018","74","5","600","606","10.1107/S2056989018003857","","","0.71073","MoKα","","0.0254","0.0241","","","0.0627","0.0637","","","","","","1.064","","","","has coordinates,has Fobs","207544","2020-10-21","18:00:00",""
"2242440","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-Tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","SU5433","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.1114","0.047","","","0.1329","0.2059","","","","","","1.019","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242441","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.0953","0.0369","","","0.0618","0.0726","","","","","","0.93","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242442","3.939","0.0009","10.781","0.004","9.944","0.004","90","","100.49","0.03","90","","415.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.56087","AgKα","","0.0947","0.0366","","","0.0609","0.0712","","","","","","0.914","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242443","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1808","0.1012","","","0.2597","0.3465","","","","","","1.188","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242444","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.141","0.0711","","","0.1412","0.1688","","","","","","1.053","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242445","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1325","0.0691","","","0.1307","0.1569","","","","","","1.046","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242446","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1795","0.0968","","","0.2502","0.3453","","","","","","1.167","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242447","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1434","0.0728","","","0.1485","0.1773","","","","","","1.041","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242448","3.9431","0.0005","10.7566","0.0018","9.964","0.002","90","","100.557","0.015","90","","415.46","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.","Studying weak interactions in crystals at high pressures: when hardware matters","Acta Crystallographica Section E","2018","74","5","613","619","10.1107/S205698901800470X","","","0.71073","MoKα","","0.1351","0.071","","","0.1385","0.1668","","","","","","1.028","","","","has coordinates,has Fobs","207545","2020-10-21","18:00:00",""
"2242449","13.2129","0.001","11.1224","0.0008","25.1604","0.0019","90","","90","","90","","3697.6","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-(Anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C27 H18 O -","- C27 H18 O -","- C216 H144 O8 -","8","1","RZ5230","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0512","0.0431","","","0.1059","0.114","","","","","","1.038","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242450","17.118","0.005","12.31","0.004","11.152","0.003","90","","107.929","0.005","90","","2235.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(Anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","","- C33 H20 O -","- C33 H20 O -","- C132 H80 O4 -","4","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","5","650","655","10.1107/S2056989018005467","","","0.71073","MoKα","","0.0833","0.0455","","","0.1044","0.1368","","","","","","1.087","","","","has coordinates,has Fobs","207546","2020-10-21","18:00:00",""
"2242451","6.808","0.0004","24.8217","0.0018","14.4744","0.0009","90","","100.489","0.006","90","","2405.1","0.3","100.2","0.4","100.2","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Difluorido{2-[(4-hydroxyphenyl)diazenyl-κ<i>N</i>^2^]-3,5-dimethylpyrrolido-\ κ<i>N</i>}boron","","- C12 H12 B F2 N3 O -","- C12 H12 B F2 N3 O -","- C96 H96 B8 F16 N24 O8 -","8","2","EX2007","Feng, Huixiao; Yin, Zhenming","Crystal structure of difluorido{2-[(4-hydroxyphenyl)diazenyl]-3,5-dimethylpyrrolido}boron","Acta Crystallographica Section E","2018","74","5","743","746","10.1107/S2056989018006229","","","0.71073","MoKα","","0.0653","0.0475","","","0.1055","0.1161","","","","","","1.058","","","","has coordinates,has Fobs","207547","2020-10-21","18:00:00",""
"2242452","7.2341","0.0002","9.3852","0.0002","9.7971","0.0002","95.82","0.001","91.116","0.001","105.682","0.001","636.33","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide","","- C11 H12 N6 O S -","- C11 H12 N6 O S -","- C22 H24 N12 O2 S2 -","2","1","SU5430","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2018","74","5","718","723","10.1107/S2056989018005704","","","0.71073","MoKα","","0.043","0.034","","","0.0888","0.0944","","","","","","1.053","","","","has coordinates,has Fobs","207548","2020-10-21","18:00:00",""
"2242453","12.1333","0.0005","8.1561","0.0003","12.8442","0.0005","90","","94.307","0.003","90","","1267.48","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","","- C10 H11 N7 O S -","- C10 H11 N7 O S -","- C40 H44 N28 O4 S4 -","4","1","SU5430","Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan","Crystal structures and Hirshfeld surface analyses of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyridin-2-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2018","74","5","718","723","10.1107/S2056989018005704","","","0.71073","MoKα","","0.1718","0.0539","","","0.0923","0.1262","","","","","","0.943","","","","has coordinates,has Fobs","207548","2020-10-21","18:00:00",""
"2242454","10.1148","0.0008","11.2236","0.0008","14.579","0.001","90","","120.94","0.005","90","","1419.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C52 H56 Cl4 N12 O12 -","4","1","ZS2399","Jeevaraj, Muthaiah; Sivajeyanthi, Palaniyappan; Edison, Bellarmin; Thanigaimani, Kaliyaperumal; Balasubramani, Kasthuri","Crystal structure, hydrogen bonding and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 4-chlorobenzoate","Acta Crystallographica Section E","2018","74","5","656","659","10.1107/S2056989018005583","","","0.71073","MoKα","","0.0801","0.0466","","","0.1283","0.1516","","","","","","0.994","","","","has coordinates,has Fobs","207549","2020-10-21","18:00:00",""
"2242455","7.5308","0.0004","10.9167","0.0007","12.4438","0.0008","66.058","0.006","79.034","0.005","72.156","0.005","887.47","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(Propan-2-ylidene)hydrazinyl]-1,3-benzothiazol-3-ium 3-nitrobenzenesulfonate","","- C16 H16 N4 O5 S2 -","- C16 H16 N4 O5 S2 -","- C32 H32 N8 O10 S4 -","2","1","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71075","MoKα","","0.0706","0.0663","","","0.1792","0.184","","","","","","1.113","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242456","6.83537","0.00015","13.5788","0.0003","15.6907","0.0004","99.382","0.002","98.2324","0.0019","91.9841","0.0019","1419.55","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Nitrobenzenesulfonyl)hydrazinyl]-1,3-benzothiazole","","- C13 H10 N4 O4 S2 -","- C13 H10 N4 O4 S2 -","- C52 H40 N16 O16 S8 -","4","2","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71073","MoKα","","0.0298","0.0273","","","0.0708","0.0722","","","","","","1.036","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242457","10.0399","0.0005","10.7585","0.0004","11.3372","0.0006","85.607","0.004","71.369","0.005","77.115","0.004","1131.17","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[2-(3-Nitrobenzenesulfonyl)hydrazinyl]-1,3-benzothiazol-3-ium; 3-nitrobenzenesulfonate","","- C19 H15 N5 O9 S3 -","- C19 H15 N5 O9 S3 -","- C38 H30 N10 O18 S6 -","2","1","SJ5555","Morscher, Alexandra; de Souza, Marcus V. N.; Wardell, James L.; Harrison, William T. A.","Expected and unexpected products of reactions of 2-hydrazinylbenzothiazole with 3-nitrobenzenesulfonyl chloride in different solvents","Acta Crystallographica Section E","2018","74","5","673","677","10.1107/S2056989018005595","","","0.71073","MoKα","","0.0312","0.0294","","","0.0745","0.0758","","","","","","1.019","","","","has coordinates,has Fobs","207550","2020-10-21","18:00:00",""
"2242458","7.4103","0.0002","10.4681","0.0003","12.8121","0.0003","90","","102.235","0.001","90","","971.28","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(4b<i>S</i>,8a<i>R</i>)-1-Isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","","- C22 H28 O3 -","- C22 H28 O3 -","- C44 H56 O6 -","2","1","XU5922","Laamari, Yassine; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Auhmani, Aziz; Ketatni, El Mostafa","Crystal structure of (4b<i>S</i>,8a<i>R</i>)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexahydrophenanthren-2-yl acetate","Acta Crystallographica Section E","2018","74","5","728","730","10.1107/S2056989018005510","","","1.54178","CuKα","","0.0302","0.0298","","","0.0761","0.0765","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207551","2020-10-21","18:00:00",""
"2242459","10.2293","0.0004","10.9623","0.0004","11.3087","0.0004","108.557","0.001","96.7616","0.001","110.409","0.001","1088.76","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol)","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C56 H48 N4 O6 -","2","1","JJ2197","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.","6,6'-[(1<i>E</i>,1'<i>E</i>)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H···N, C—H···O and C—H···π interactions","Acta Crystallographica Section E","2018","74","5","687","690","10.1107/S2056989018005959","","","0.71073","MoKα","","0.0545","0.0446","","","0.1202","0.1311","","","","","","1.027","","","","has coordinates,has Fobs","207552","2020-10-21","18:00:00",""
"2242460","13.8129","0.0003","12.6034","0.0002","8.3595","0.0002","90","","90.396","0.001","90","","1455.27","0.05","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2,2-Trifluoroacetophenone","","- C8 H5 F3 O -","- C8 H5 F3 O -","- C64 H40 F24 O8 -","8","1","XI2002","Dey, Dhananjay; Sirohiwal, Abhishek; Chopra, Deepak","Crystal packing analysis of <i>in situ</i> cryocrystallized 2,2,2-trifluoroacetophenone","Acta Crystallographica Section E","2018","74","5","607","612","10.1107/S2056989017016590","","","0.71073","MoKα","","0.027","0.024","","","0.0614","0.0644","","","","","","1.077","","","","has coordinates,has Fobs","207553","2020-10-21","18:00:00",""
"2242461","4.0181","0.0002","5.7296","0.0003","27.5566","0.0014","90","","91.66","0.004","90","","634.14","0.06","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","coumarin","2-Oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzoate","","- C16 H9 F O4 -","- C16 H9 F O4 -","- C32 H18 F2 O8 -","2","1","KQ2021","Abou, Akoun; Yoda, Jules; Djandé, Abdoulaye; Coussan, Stéphane; Zoueu, T. Jérémie","Crystal structure of 2-oxo-2<i>H</i>-chromen-7-yl 4-fluorobenzoate","Acta Crystallographica Section E","2018","74","5","761","765","10.1107/S205698901800614X","","","1.54184","CuKα","","0.0364","0.0353","","","0.0974","0.0983","","","","","","1.127","","","","has coordinates,has Fobs","207554","2020-10-21","18:00:00",""
"2242462","5.81006","0.00013","22.7138","0.0005","8.38031","0.00018","90","","91.785","0.002","90","","1105.4","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1,2-Diferrocenyl-1,2-bis(furan-2-yl)ethene","","- C30 H24 Fe2 O2 -","- C30 H24 Fe2 O2 -","- C60 H48 Fe4 O4 -","2","0.5","SJ5552","Linden, Anthony; Hamera-Fałdyga, Róża; Mlostoń, Grzegorz; Heimgartner, Heinz","Crystal structure of (<i>E</i>)-1,2-diferrocenyl-1,2-bis(furan-2-yl)ethene","Acta Crystallographica Section E","2018","74","5","625","629","10.1107/S2056989018005078","","","0.71073","MoKα","","0.0405","0.032","","","0.0721","0.0766","","","","","","1.042","","","","has coordinates,has Fobs","207555","2020-10-21","18:00:00",""
"2242463","10.525","0.003","18.187","0.005","12.459","0.004","90","","105.928","0.013","90","","2293.3","1.2","100","","99.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>fac</i>-Bromido[2-(2,2'-bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylmanganese(I) tetrahydrofuran monosolvate","","- C20 H12 Br Mn N2 O5 -","- C20 H12 Br Mn N2 O5 -","- C80 H48 Br4 Mn4 N8 O20 -","4","1","","Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua","Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety","Acta Crystallographica Section E","2018","74","5","731","736","10.1107/S2056989018006047","","","0.71073","MoKα","","0.061","0.0411","","","0.0957","0.1036","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","207556","2020-10-21","18:00:00",""
"2242464","15.462","0.004","11.37","0.003","13.37","0.003","90","","98.023","0.01","90","","2327.5","1","100","","99.95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>fac</i>-[2-(2,2'-Bipyridin-6-yl)benzoic acid-κ^2^<i>N</i>,<i>N</i>']tricarbonylchloridorhenium(I) tetrahydrofuran monosolvate","","- C24 H20 Cl N2 O6 Re -","- C24 H20 Cl N2 O6 Re -","- C96 H80 Cl4 N8 O24 Re4 -","4","1","","Lense, Sheri; Guzei, Ilia A.; Andersen, Jessica; Thao, Kong Choua","Crystal structures of a manganese(I) and a rhenium(I) complex of a bipyridine ligand with a non-coordinating benzoic acid moiety","Acta Crystallographica Section E","2018","74","5","731","736","10.1107/S2056989018006047","","","0.71073","MoKα","","0.0179","0.0161","","","0.0388","0.0393","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","207556","2020-10-21","18:00:00",""
"2242465","8.3604","0.0001","11.41","0.0002","12.4661","0.0002","83.001","0.001","83.364","0.001","73.973","0.001","1130.24","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","Octane-1,8-diaminium 4,4'-(diazene-1,2-diyl)dibenzoate monohydrate","","- C22 H32 N4 O5 -","- C22 H32 N4 O5 -","- C44 H64 N8 O10 -","2","1","HB7747","Elkin, Igor; Maris, Thierry; Christopherson, Jan-Constantin; Borchers, Tristan H.; Barrett, Christopher J.","Crystal structure of octane-1,8-diaminium 4,4'-(diazene-1,2-diyl)dibenzoate monohydrate","Acta Crystallographica Section E","2018","74","5","724","727","10.1107/S2056989018006187","","","1.54184","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.048","","","","has coordinates,has Fobs","207557","2020-10-21","18:00:00",""
"2242466","42.287","0.009","7.2848","0.0015","6.7006","0.0013","90","","91.226","0.012","90","","2063.7","0.7","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","4-(9-Methyloxycarbonylnonyloxy)phenylphenol","Methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","SU5401","Geiger, David K.; Geiger, H. Cristina; Morell, Dominic L.","An exploration of O—H···O and C—H···π interactions in a long-chain-ester-substituted phenylphenol: methyl 10-[4-(4-hydroxyphenyl)phenoxy]decanoate","Acta Crystallographica Section E","2018","74","5","594","599","10.1107/S2056989017016589","","","0.71073","MoKa","","0.062","0.0441","","","0.1093","0.1216","","","","","","1.045","","","","has coordinates,has Fobs","207558","2020-10-21","18:00:00",""
"2242467","6.7722","0.0004","11.5017","0.0008","16.6305","0.0011","80.224","0.003","84.618","0.003","81.077","0.003","1258.09","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4'-(2-Chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione","","- C32 H26 Cl N3 O2 -","- C32 H26 Cl N3 O2 -","- C64 H52 Cl2 N6 O4 -","2","1","SU5434","Vishnupriya, R.; Selva Meenatchi, C.; Suresh, J.; Sumesh, R. V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","Crystal structure and Hirshfeld surface analysis of 4'-(2-chlorophenyl)-1'-methyl-3''-phenyl-7'',8''-dihydro-5''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-isoquinoline]-2,5''-dione","Acta Crystallographica Section E","2018","74","5","660","663","10.1107/S2056989018005455","","","0.71073","MoKα","","0.0666","0.0473","","","0.1197","0.1333","","","","","","1.05","","","","has coordinates,has Fobs","207559","2020-10-21","18:00:00",""
"2242468","17.964","0.003","8.0234","0.0015","9.7761","0.0019","90","","90","","90","","1409.1","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one","","- C15 H13 Cl O2 S -","- C15 H13 Cl O2 S -","- C60 H52 Cl4 O8 S4 -","4","1","HB7746","Caracelli, Ignez; Zukerman-Schpector, Julio; Traesel, Henrique J.; Olivato, Paulo R.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","5","703","708","10.1107/S2056989018006072","","","0.71073","MoKα","","0.0722","0.0481","","","0.1058","0.1164","","","","","","1.04","","","","has coordinates,has Fobs","207560","2020-10-21","18:00:00",""
"2242469","9.4094","0.0005","9.4697","0.0005","15.1613","0.0009","90","","102.247","0.003","90","","1320.19","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium isonicotinate","(<i>RS</i>)-1-Phenylethan-1-aminium pyridine-4-carboxylate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0755","0.0561","","","0.1492","0.1708","","","","","","1.047","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242470","12.4146","0.0004","5.9101","0.0002","27.3645","0.0009","90","","90.793","0.001","90","","2007.58","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium flurbiprofenate","(<i>RS</i>)-1-Phenylethan-1-aminium 2-(3-fluoro-4-phenylphenyl)propanoate","","- C23 H24 F N O2 -","- C23 H24 F N O2 -","- C92 H96 F4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0747","0.0607","","","0.1635","0.1744","","","","","","1.066","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242471","15.5817","0.0007","6.3914","0.0003","31.3238","0.0014","90","","100.998","0.002","90","","3062.2","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(RS)-alpha-methylbenzylammonium 2-chloro-4-nitro-benzoate","(<i>RS</i>)-1-Phenylethan-1-aminium 2-chloro-4-nitrobenzoate","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C120 H120 Cl8 N16 O32 -","8","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0403","0.0345","","","0.088","0.0911","","","","","","1.04","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242472","9.7224","0.0005","6.0571","0.0003","24.8767","0.0012","90","","99.527","0.002","90","","1444.77","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(RS)-alpha-methylbenzylammonium 4-iodobenzoate","(<i>RS</i>)-1-Phenylethan-1-aminium 4-iodobenzoate","","- C15 H16 I N O2 -","- C15 H16 I N O2 -","- C60 H64 I4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0309","0.0255","","","0.0546","0.0568","","","","","","1.125","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242473","16.228","0.0015","6.4392","0.0005","15.5937","0.0015","90","","104.289","0.004","90","","1579.1","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-1-cyclohexylethylammonium 2-chloro-4-nitrobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 2-chloro-4-nitrobenzoate","","- C15 H21 Cl N2 O4 -","- C15 H21 Cl N2 O4 -","- C60 H84 Cl4 N8 O16 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0358","0.0315","","","0.0692","0.0714","","","","","","1.043","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242474","6.4391","0.0003","17.0023","0.0008","14.1588","0.0006","90","","102.241","0.002","90","","1514.86","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(1-Cyclohexenyl)ethylammonium 4-bromobenzoate","2-(Cyclohex-1-en-1-yl)ethan-1-aminium 4-bromobenzoate","","- C15 H19 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0421","0.037","","","0.0938","0.0978","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","207561","2020-10-21","18:00:00",""
"2242475","6.279","0.0003","15.661","0.0009","15.88","0.0008","90","","90","","90","","1561.57","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-1-cyclohexylethylammonium 4-bromobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 4-bromobenzoate'","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C60 H88 Br4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0832","0.0778","","","0.2051","0.2112","","","","","","1.078","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242476","18.1742","0.0003","4.7885","0.0001","16.0308","0.0003","90","","104.56","0.001","90","","1350.31","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-(2,4,6-Tribromophenyl)diazenyl]tropolone","2-Hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one","","- C13 H7 Br3 N2 O2 -","- C13 H7 Br3 N2 O2 -","- C52 H28 Br12 N8 O8 -","4","1","FY2127","Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas","Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone","Acta Crystallographica Section E","2018","74","5","709","712","10.1107/S2056989018006151","","","0.71073","MoKα","","","0.0225","","","","0.051","","","","","","1.015","","","","has coordinates,has Fobs","207562","2020-10-21","18:00:00",""
"2242477","12.8434","0.0004","20.0919","0.0006","19.3168","0.0006","90","","92.561","0.002","90","","4979.7","0.3","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Tetramethanollithium 5,11,17,23-tetra-<i>tert</i>-butyl-25,26,27-trihydroxy-28-oxidocalix[4]arene methanol monosolvate","","- C49 H75 Li O9 -","- C49 H75 Li O9 -","- C196 H300 Li4 O36 -","4","1","XI2008","Yamada, Manabu; Gandhi, Muniyappan Rajiv; Akimoto, Kazuhiko; Hamada, Fumio","Crystal structure of a supramolecular lithium complex of <i>p</i>-<i>tert</i>-butylcalix[4]arene","Acta Crystallographica Section E","2018","74","5","575","579","10.1107/S2056989018001834","","","1.54178","CuKα","","0.0771","0.0654","","","0.1909","0.2032","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","207563","2020-10-21","18:00:00",""
"2242478","15.13","0.002","15.7219","0.0019","7.1203","0.0012","90","","90.6","0.008","90","","1693.6","0.4","200","2","200.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,7-Bis(dimethylamino)-phenothiazin-5-ium chloride dihydrate","","- C16 H22 Cl N3 O2 S -","- C16 H22 Cl N3 O2 S -","- C64 H88 Cl4 N12 O8 S4 -","4","1","SU5412","Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia","Hydrogen bonds and π‒π interactions in two new crystalline phases of methylene blue","Acta Crystallographica Section E","2018","74","5","587","593","10.1107/S2056989017017881","","","0.71073","MoKα","","0.107","0.0875","","","0.2378","0.2713","","","","","","1.082","","","","has coordinates,has Fobs","207564","2020-10-21","18:00:00",""
"2242479","7.867","0.01","14.101","0.01","15.027","0.01","90","","90.348","0.01","90","","1667","3","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,7-Bis(dimethylamino)phenothiazinium bisulfite","","- C16 H19 N3 O4 S2 -","- C16 H19 N3 O4 S2 -","- C64 H76 N12 O16 S8 -","4","1","SU5412","Canossa, Stefano; Predieri, Giovanni; Graiff, Claudia","Hydrogen bonds and π‒π interactions in two new crystalline phases of methylene blue","Acta Crystallographica Section E","2018","74","5","587","593","10.1107/S2056989017017881","","","0.7","Synchrotron","","0.0512","0.0411","","","0.1064","0.1122","","","","","","1.064","","","","has coordinates,has Fobs","207564","2020-10-21","18:00:00",""
"2242480","5.834","0.002","5.834","0.002","4.546","0.002","90","","90","","120","","134","0.09","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","K2ReF6","Dipotassium hexafluoridorhenate(IV)","","- F6 K2 Re -","- F6 K2 Re -","- F6 K2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0158","0.0158","","","0.0408","0.0408","","","","","","1.126","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242481","5.9926","0.0013","5.9926","0.0013","4.7177","0.001","90","","90","","120","","146.72","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Rb2ReF6","Dirubidium hexafluoridorhenate(IV)","","- F6 Rb2 Re -","- F6 Rb2 Re -","- F6 Rb2 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0288","0.0273","","","0.0727","0.0738","","","","","","1.3","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242482","6.268","0.001","6.268","0.001","4.931","0.001","90","","90","","120","","167.77","0.05","100","2","100","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Cs2ReF6","Dicaesium hexafluoridorhenate(IV)","","- Cs2 F6 Re -","- Cs2 F6 Re -","- Cs2 F6 Re -","1","0.0833333","WM5432","Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean; Salamat, Ashkan; Pham, Chien Thang; Poineau, Frederic","Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited","Acta Crystallographica Section E","2018","74","5","646","649","10.1107/S2056989018005297","","","0.71073","MoKα","","0.0132","0.0132","","","0.0358","0.0358","","","","","","1.249","","","","has coordinates,has Fobs","207565","2020-10-21","18:00:00",""
"2242483","9.2277","0.0002","10.6445","0.0003","14.639","0.002","105.169","0.002","94.806","0.002","113.255","0.002","1246.35","0.18","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","3,3-Diphenyl-2-[4-(pyren-1-yl)phenyl]acrylonitrile","","- C37 H23 N -","- C37 H23 N -","- C74 H46 N2 -","2","1","","Miao, Bao-Xi; Tang, Xin-Xue; Zhang, Li-Fang","Synthesis, crystal structure and aggregation-induced emission of a new pyrene-based compound, 3,3-diphenyl-2-[4-(pyren-1-yl)phenyl]acrylonitrile","Acta Crystallographica Section E","2018","74","5","638","641","10.1107/S2056989018005182","","","0.71073","MoKα","","0.0404","0.0351","","","0.1004","0.1042","","","","","","1.04","","","","has coordinates,has Fobs","207566","2020-10-21","18:00:00",""
"2242484","35.1343","0.0012","7.2564","0.0002","13.145","0.0005","90","","95.553","0.002","90","","3335.57","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C160 H144 N16 O16 -","8","1","SJ5553","Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2018","74","5","737","742","10.1107/S2056989018005662","","","0.71073","MoKα","","0.1267","0.0487","","","0.1028","0.1343","","","","","","1","","","","has coordinates,has Fobs","207567","2020-10-21","18:00:00",""
"2242485","5.959","0.0002","7.871","0.0003","17.9743","0.0006","98.381","0.002","93.817","0.002","90.294","0.002","832.11","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-Benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","","- C20 H16 Cl N O3 -","- C20 H16 Cl N O3 -","- C40 H32 Cl2 N2 O6 -","2","1","SJ5553","Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine","(<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one","Acta Crystallographica Section E","2018","74","5","737","742","10.1107/S2056989018005662","","","0.71073","MoKα","","0.0524","0.042","","","0.1254","0.1333","","","","","","1.095","","","","has coordinates,has Fobs","207567","2020-10-21","18:00:00",""
"2242486","8.2086","0.0005","18.8899","0.0011","9.8999","0.0006","90","","99.5197","0.001","90","","1513.94","0.16","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","barium acesulafame monohydrate","Aquabis(μ~3~-6-methyl-2,2-dioxo-1,2λ^6^,3-oxathiazin-4-olato)barium(II)","","- C8 H10 Ba N2 O9 S2 -","- C8 H10 Ba N2 O9 S2 -","- C32 H40 Ba4 N8 O36 S8 -","4","1","","Nazarenko, Alexander Y.","Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)","Acta Crystallographica Section E","2018","74","5","698","702","10.1107/S2056989018006059","","","0.71073","MoKα","","0.0478","0.0323","","","0.0553","0.059","","","","","","1.094","","","","has coordinates,has Fobs","207568","2020-10-21","18:00:00",""
"2242487","7.9695","0.0003","18.5217","0.0008","9.731","0.0004","90","","99.651","0.001","90","","1416.05","0.1","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","strontium acesulafame monohydrate","Aquabis(μ~3~-6-methyl-2,2-dioxo-1,2λ^6^,3-oxathiazin-4-olato)strontium(II)","","- C8 H10 N2 O9 S2 Sr -","- C8 H10 N2 O9 S2 Sr -","- C32 H40 N8 O36 S8 Sr4 -","4","1","ZL2727","Nazarenko, Alexander Y.","Crystal structure of strontium and barium acesulafame (6-methyl-4-oxo-4<i>H</i>-1,2,3-oxathiazin-3-ide 2,2-dioxide)","Acta Crystallographica Section E","2018","74","5","698","702","10.1107/S2056989018006059","","","0.71073","MoKα","","0.0398","0.0274","","","0.0574","0.0619","","","","","","1.039","","","","has coordinates,has Fobs","207568","2020-10-21","18:00:00",""
"2242488","12.3477","0.0002","24.7472","0.0005","19.0123","0.0003","90","","91.7","0.001","90","","5807.05","0.18","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bis{[(diphenylphosphanyl)methyl]diphenylphosphanylidene}methane-\ κ^3^<i>P</i>,<i>C</i>,<i>P</i>')carbonylchloridohydridoiridium(III) chloride dichloromethane trisolvate","","- C55 H51 Cl8 Ir O P4 -","- C55 H51 Cl8 Ir O P4 -","- C220 H204 Cl32 Ir4 O4 P16 -","4","1","EB2007","Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form","Acta Crystallographica Section E","2018","74","5","620","624","10.1107/S2056989018004905","","","0.71073","MoKα","","0.0613","0.0429","","","0.0924","0.0981","","","","","","1.056","","","","has coordinates,has Fobs","207569","2020-10-21","18:00:00",""
"2242489","19.7138","0.0002","22.7327","0.0002","25.312","0.0003","90","","98.781","0.001","90","","11210.6","0.2","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Bis{[(diphenylphosphanyl)methyl]diphenylphosphanylidene}methane(1+)-κ^3^<i>P</i>,<i>C</i>,<i>P</i>')carbonylchloridohydridoiridium(III) dichloride‒hydrochloric acid‒water (1/2/5.5)","","- C52 H59 Cl5 Ir O6.5 P4 -","- C52 H46 Cl5 Ir O6.5 P4 -","- C416 H368 Cl40 Ir8 O52 P32 -","8","2","EB2007","Reitsamer, Christian; Schlapp-Hackl, Inge; Partl, Gabriel; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structure of an iridium(III) complex of the [C(dppm)~2~] PCP pincer ligand system and its conjugate CH acid form","Acta Crystallographica Section E","2018","74","5","620","624","10.1107/S2056989018004905","","","0.71073","MoKα","","0.0489","0.0325","","","0.081","0.0877","","","","","","1.041","","","","has coordinates,has Fobs","207569","2020-10-21","18:00:00",""
"2242490","9.6757","0.0005","5.2885","0.0003","28.0136","0.0015","90","","98.3","0.003","90","","1418.44","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2<i>S</i>,3<i>S</i>)-2-Amino-3-methylpentanoic acid","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C48 H104 N8 O16 -","8","4","LH5872","Curland, Sofia; Meirzadeh, Elena; Diskin-Posner, Yael","Crystal structure of a new polymorph of (2<i>S</i>,3<i>S</i>)-2-amino-3-methylpentanoic acid","Acta Crystallographica Section E","2018","74","6","776","779","10.1107/S2056989018006126","","","0.71073","MoKα","","0.0836","0.0774","","","0.2069","0.2107","","","","","","1.147","","","","has coordinates,has Fobs","207601","2020-10-21","18:00:00",""
"2242491","8.0535","0.0015","9.0457","0.0017","15.352","0.003","106.553","0.004","101.572","0.004","94.385","0.004","1039.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C28 H25 N O -","- C28 H25 N O -","- C56 H50 N2 O2 -","2","1","LH5873","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","6","780","785","10.1107/S2056989018006527","","","0.71073","MoKα","","0.1534","0.0682","","","0.1798","0.2455","","","","","","1.008","","","","has coordinates,has Fobs","207664","2020-10-21","18:00:00",""
"2242492","31.2875","0.0016","9.047","0.0004","18.3643","0.0008","90","","99.388","0.003","90","","5128.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(diphenylamino)phenyl]prop-2-en-1-one","","- C35 H25 N O -","- C35 H25 N O -","- C280 H200 N8 O8 -","8","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","6","780","785","10.1107/S2056989018006527","","","0.71073","MoKα","","0.1142","0.0565","","","0.1152","0.1437","","","","","","1.015","","","","has coordinates,has Fobs","207664","2020-10-21","18:00:00",""
"2242493","12.7788","0.0015","27.276","0.003","20.18","0.003","90","","95.591","0.002","90","","7000.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{[5-<i>tert</i>-butyl-1,3-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl)benzene]selenium} tetrakis(selenocyanato)mercury","","- C72 H82 Hg N12 Se6 -","- C72 H82 Hg N12 Se6 -","- C288 H328 Hg4 N48 Se24 -","4","0.5","ZL2726","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of an arylselenenium(II) cation, [C~34~H~41~N~4~Se^+^]~2~[Hg(SeCN)~4~]^2{-^}, based on a 5-<i>tert</i>-butyl-1,3-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl)benzene scaffold","Acta Crystallographica Section E","2018","74","6","786","790","10.1107/S2056989018006394","","","0.71073","MoKα","","0.0445","0.0398","","","0.0939","0.0972","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","207784","2020-10-21","18:00:00",""
"2242494","9.6922","0.0001","12.7459","0.0002","13.603","0.0002","103.301","0.001","102.938","0.001","91.771","0.001","1587.83","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0)","","- C30 H17 O11 P Ru3 S -","- C30 H17 O11 P Ru3 S -","- C60 H34 O22 P2 Ru6 S2 -","2","1","HB7749","bin Shawkataly, Omar; Abdelnasir, Hafiz Malik Hussien; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.","Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","6","791","795","10.1107/S2056989018006989","","","0.71073","MoKα","","0.0666","0.0411","","","0.0861","0.0974","","","","","","1.033","","","","has coordinates,has Fobs","207785","2020-10-21","18:00:00",""
"2242495","9.7528","0.0007","23.6871","0.0017","23.6871","0.0017","90","","100.541","0.002","90","","5379.7","0.7","100","0.5","100","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis[1,2-bis(diphenylphosphane)ethylene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane 0.59-solvate","","- C52.59 H45.18 Cl7.18 Fe2 P4 -","- C52.592 H45.184 Cl7.184 Fe2 P4 -","- C210.368 H180.736 Cl28.736 Fe8 P16 -","4","0.5","PJ2052","McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.","Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands","Acta Crystallographica Section E","2018","74","6","803","807","10.1107/S2056989018006898","","","0.71073","MoKα","","0.0782","0.0482","","","0.1065","0.119","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207786","2020-10-21","18:00:00",""
"2242496","9.8771","0.0007","12.6516","0.0008","12.8258","0.0008","81.058","0.001","83.05","0.001","68.335","0.001","1467.87","0.17","100","0.5","100","0.5","","","","","","","","5","P 1","P 1","1","","<i>trans</i>-Bis[1,2-bis(diphenylphosphane)benzene]dichloridoiron(III) tetrachloridoferrate(III) dichloromethane monosolvate","","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","- C61 H50 Cl8 Fe2 P4 -","1","1","PJ2052","McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.","Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands","Acta Crystallographica Section E","2018","74","6","803","807","10.1107/S2056989018006898","","","0.71073","MoKα","","0.1465","0.0727","","","0.1419","0.1823","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","207786","2020-10-21","18:00:00",""
"2242497","9.3504","0.0003","13.6265","0.0004","22.879","0.0009","90","","90","","90","","2915.09","0.17","190","2","190","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-Hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","IS5495","Stikute, Agnese; Skestere, Karina; Mierina, Inese; Mishnev, Anatoly; Jure, Mara","Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2018","74","6","796","798","10.1107/S2056989018006941","","","0.71073","MoKα","","0.1019","0.0586","","","0.1171","0.1305","","","","","","1.043","","","","has coordinates,has Fobs","207787","2020-10-21","18:00:00",""
"2242498","8.6299","0.0008","8.7781","0.0008","14.0726","0.0012","80.683","0.001","73.602","0.001","89.568","0.001","1008.38","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-\ calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]","","- C14 H18 Ca Co N2 O14 -","- C14 H18 Ca Co N2 O14 -","- C28 H36 Ca2 Co2 N4 O28 -","2","1","XU5921","Lin, Jie-Shuang; Zhang, Bing-Guang","Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]","Acta Crystallographica Section E","2018","74","6","808","811","10.1107/S2056989018007120","","","0.71073","MoKα","","0.0246","0.0229","","","0.0633","0.0643","","","","","","1.01","","","","has coordinates","207856","2020-10-21","18:00:00",""
"2242499","7.9906","0.0012","9.7081","0.0014","10.2704","0.0015","86.727","0.003","73.088","0.003","73.538","0.003","730.73","0.19","120","2","120","2","","","","","","","","6","P -1","-P 1","2","2,2'-Dithiodinicotinic acid hydrochloride monohydrate","3-Carboxy-2-[2-(3-carboxypyridin-2-yl)disulfan-1-yl)]pyridin-1-ium chloride monohydrate","","- C12 H11 Cl N2 O5 S2 -","- C12 H11 Cl N2 O5 S2 -","- C24 H22 Cl2 N4 O10 S4 -","2","1","YK2114","Chemey, Alexander T.; McGuire, Chad M.; Albrecht-Schmitt, Thomas E.","A rare positively charged nicotinic acid disulfide: 2,2'-dithiodinicotinic acid hydrochloride monohydrate","Acta Crystallographica Section E","2018","74","6","820","824","10.1107/S2056989018006916","","","0.71073","MoKα","","0.0412","0.0319","","","0.0712","0.0746","","","","","","1.064","","","","has coordinates,has Fobs","207857","2020-10-21","18:00:00",""
"2242500","7.8085","0.001","10.5171","0.0014","17.124","0.002","90","","102.711","0.002","90","","1371.8","0.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","WM5445","Zharinova, Irina S.; Bilyalova, Alfiya A.; Bezzubov, Stanislav I.","Synthesis and crystal structure of methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate","Acta Crystallographica Section E","2018","74","6","816","819","10.1107/S2056989018007259","","","0.71073","MoKα","","0.0448","0.0388","","","0.1078","0.1139","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","207860","2020-10-21","18:00:00",""
"2242501","9.2538","0.0006","6.0642","0.0004","17.1441","0.001","90","","91.475","0.002","90","","961.75","0.11","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","(‒)-(<i>R</i>,<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-5-{(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl}-<i>N</i>,<i>N</i>-dimethylpent-4-enamide","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C40 H54 N2 O12 -","2","1","IS5496","Oishi, Takeshi; Ishii, Koki; Ishibashi, Mizuki; Sato, Takaaki; Chida, Noritaka","Crystal structure of (‒)-(<i>R</i>,<i>E</i>)-3-(1,3-benzodioxol-5-yl)-5-[(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-<i>N</i>,<i>N</i>-dimethylpent-4-enamide","Acta Crystallographica Section E","2018","74","6","825","828","10.1107/S2056989018007132","","","0.71073","MoKα","","0.0655","0.0458","","","0.0786","0.0989","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","207861","2020-10-21","18:00:00",""
"2242502","8.8257","0.0008","16.0776","0.0016","9.7437","0.0009","90","","116.383","0.003","90","","1238.6","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-3-(thiophen-3-yl-methyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C13 H11 N3 S2 -","- C13 H11 N3 S2 -","- C52 H44 N12 S8 -","4","1","ZP2029","Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Ba, Dai; Pham Chien, Thang; Nguyen Huy, Hung; Van Meervelt, Luc","Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-yl-methyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2018","74","6","812","815","10.1107/S2056989018007193","","","0.71073","MoKα","","0.0419","0.0346","","","0.0931","0.0972","","","","","","1.063","","","","has coordinates,has Fobs","207862","2020-10-21","18:00:00",""
"2242503","16.5181","0.0008","5.5262","0.0003","33.2605","0.0016","90","","90","","90","","3036.1","0.3","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","meldonium sodium bromide heptahydrate","Poly[[tetra-μ-aqua-diaquabis[3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] dibromide tetrahydrate]","","- C6 H24 Br N2 Na O7 -","- C6 H24 Br N2 Na O7 -","- C48 H192 Br8 N16 Na8 O56 -","8","2","ZL2729","Nazarenko, Alexander Y.","Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide","Acta Crystallographica Section E","2018","74","6","829","834","10.1107/S2056989018006977","","","0.71073","MoKα","","0.0416","0.0315","","","0.0729","0.0783","","","","","","1.025","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242504","19.7455","0.0011","11.453","0.0007","10.9733","0.0007","90","","92.382","0.002","90","","2479.4","0.3","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","meldonium sodium iodide dihydrate","Poly[[di-μ-aqua-diaquabis[μ-3-(1,1,1-trimethylhydrazin-1-ium-2-yl)\ propanoate]disodium] diiodide]","","- C6 H18 I N2 Na O4 -","- C6 H18 I N2 Na O4 -","- C48 H144 I8 N16 Na8 O32 -","8","2","ZL2729","Nazarenko, Alexander Y.","Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide","Acta Crystallographica Section E","2018","74","6","829","834","10.1107/S2056989018006977","","","0.71073","MoKα","","0.033","0.0261","","","0.0528","0.0568","","","","","","1.174","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242505","10.96","0.002","9.1348","0.0018","13.495","0.003","90","","108.29","0.03","90","","1282.8","0.5","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(Disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","","- C8 H6 O2 S4 Se2 -","- C8 H6 O2 S4 Se2 -","- C32 H24 O8 S16 Se8 -","4","1","WM5446","Trentin, Ivan; Schindler, Claudia; Schulzke, Carola","Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","Acta Crystallographica Section E","2018","74","6","840","845","10.1107/S2056989018007454","","","0.71073","MoKα","","0.0526","0.029","","","0.0513","0.0577","","","","","","0.972","","","","has coordinates,has Fobs","207905","2020-10-21","18:00:00",""
"2242506","10.845","0.002","9.0387","0.0018","13.37","0.003","90","","108.95","0.03","90","","1239.6","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-(Diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","","- C8 H6 O2 S6 -","- C8 H6 O2 S6 -","- C32 H24 O8 S24 -","4","1","","Trentin, Ivan; Schindler, Claudia; Schulzke, Carola","Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)","Acta Crystallographica Section E","2018","74","6","840","845","10.1107/S2056989018007454","","","0.71073","MoKα","","0.0407","0.0269","","","0.0597","0.0635","","","","","","1.034","","","","has coordinates,has Fobs","207905","2020-10-21","18:00:00",""
"2242507","21.8333","0.0002","21.8333","0.0002","8.67551","0.00017","90","","90","","90","","4135.55","0.1","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","2-[(β-Arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C184 H160 N16 O32 S8 -","8","1","HB7743","Hammad, Sherif F.; Masoud, Doaa M.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of racemic 2-[(β-arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile","Acta Crystallographica Section E","2018","74","6","853","856","10.1107/S2056989018007284","","","1.54184","CuKα","","0.0336","0.0289","","","0.0697","0.0723","","","","","","1.039","","","","has coordinates,has Fobs","207963","2020-10-21","18:00:00",""
"2242508","13.3105","0.0002","14.3109","0.0003","19.8482","0.0003","68.949","0.001","74.426","0.001","70.256","0.001","3274.11","0.1","233","2","233","2","","","","","","","","8","P -1","-P 1","2","","(Cycloocta-1,5-diene)(1,1,3,3,5,5,7,7-octaphenyl-1,7-diphospha-3,5-diphosphoniaheptan-4-yl)iridium(I) bis(trifluoromethanesulfonate)‒ethyl acetate‒dichloromethane (1/1/1)","","- C66 H67 Cl2 F6 Ir O8 P4 S2 -","- C66 H65 Cl2 F6 Ir O8 P4 S2 -","- C132 H130 Cl4 F12 Ir2 O16 P8 S4 -","2","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0307","0.025","","","0.0529","0.0548","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","207964","2020-10-21","18:00:00",""
"2242509","18.7964","0.0004","13.7444","0.0002","18.8487","0.0004","90","","101.586","0.002","90","","4770.25","0.16","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,5λ^5^,7-triphospha-3-phosphoniahept-4-en-4-yl)iridium(III) acetone monosolvate","","- C54 H51 Cl2 Ir O P4 -","- C54 H45 Cl2 Ir O P4 -","- C216 H180 Cl8 Ir4 O4 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0807","0.0476","","","0.0838","0.0911","","","","","","1.037","","","","has coordinates,has Fobs","207964","2020-10-21","18:00:00",""
"2242510","12.6532","0.0008","21.8847","0.0012","19.9228","0.0012","90","","99.381","0.002","90","","5443.1","0.6","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,7-diphospha-3,5-diphosphoniaheptan-4-yl)iridium(III) chloride pentahydrate","","- C51 H56 Cl3 Ir O5 P4 -","- C51 H46 Cl3 Ir O5 P4 -","- C204 H184 Cl12 Ir4 O20 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0371","0.0318","","","0.0922","0.0949","","","","","","1.089","","","","has coordinates,has Fobs","207964","2020-10-21","18:00:00",""
"2242511","12.5929","0.0002","23.2803","0.0004","19.7488","0.0004","90","","107.535","0.001","90","","5520.66","0.17","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Carbonylchloridohydrido(1,1,3,3,5,5,7,7-octaphenyl-1,5λ^5^,7-triphospha-3-phosphoniahept-4-en-4-yl)iridium(III) chloride‒methanol‒water (1/2/1)","","- C54 H56 Cl2 Ir O4 P4 -","- C54 H45 Cl2 Ir O4 P4 -","- C216 H180 Cl8 Ir4 O16 P16 -","4","1","SU5440","Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul","Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand","Acta Crystallographica Section E","2018","74","6","846","852","10.1107/S2056989018007569","","","0.71073","MoKα","","0.0551","0.0412","","","0.091","0.0945","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","207964","2020-10-21","18:00:00",""
"2242512","7.1597","0.0011","9.8762","0.0016","12.243","0.002","110.426","0.003","94.051","0.003","93.378","0.003","806","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-{5-[2-(2-Hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C36 H38 N6 O6 -","2","1","FF2153","Yang, Guiwen; Feng, Huixiao; Yin, Zhenming","Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate","Acta Crystallographica Section E","2018","74","6","871","873","10.1107/S2056989018007764","","","0.71073","MoKα","","0.0675","0.0447","","","0.0971","0.109","","","","","","1.027","","","","has coordinates,has Fobs","208076","2020-10-21","18:00:00",""
"2242513","10.0069","0.0005","10.1898","0.0007","32.0045","0.0014","90","","90","","90","","3263.4","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-<i>O</i>-Benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-\ <i>O</i>-triphenylmethyl-α-<i>D</i>-glucofuranose","1-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-Benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl]-2-(trityloxy)ethyl methanesulfonate","","- C36 H38 O8 S -","- C36 H38 O8 S -","- C144 H152 O32 S4 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54184","CuKα","","0.1368","0.0943","","","0.2666","0.3507","","","","","","1.201","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242514","10.0943","0.0001","10.9625","0.0001","27.5392","0.0002","90","","90","","90","","3047.45","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Azido-3-<i>O</i>-benzyl-5-deoxy-1,2-<i>O</i>-isopropylidene-6-<i>O</i>-triphenylmethyl-β-<i>L</i>-idofuranose","(3a<i>R</i>,5<i>S</i>,6<i>S</i>,6a<i>R</i>)-5-[1-Azido-2-(trityloxy)ethyl]-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxole","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54178","CuKα","","0.0297","0.0293","","","0.0845","0.0852","","","","","","1.027","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242515","14.4535","0.0004","6.3387","0.0002","23.904","0.0008","90","","104.214","0.002","90","","2122.95","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium chlorodifluoroacetate","","- C19 H17 Cl F8 N2 O3 -","- C19 H17 Cl F8 N2 O3 -","- C76 H68 Cl4 F32 N8 O12 -","4","1","HB7752","Wardell, James L.; Wardell, Solange M. S. V.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","7","895","900","10.1107/S2056989018007703","","","0.71073","MoKα","","0.0846","0.0522","","","0.1247","0.1419","","","","","","1.039","","","","has coordinates,has Fobs","208131","2020-10-21","18:00:00",""
"2242516","7.6461","0.0008","9.8772","0.0009","11.2191","0.0012","72.571","0.005","88.496","0.006","86.144","0.006","806.54","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","6-(Phenylsulfonyl)-6H-thieno[3,2-c]carbazole","6-Phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole","","- C20 H13 N O2 S2 -","- C20 H13 N O2 S2 -","- C40 H26 N2 O4 S4 -","2","1","FY2128","Mohamooda Sumaya, U.; Sankar, E.; Arasambattu MohanaKrishnan, K.; Biruntha, K.; Usha, G.","Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole","Acta Crystallographica Section E","2018","74","7","878","883","10.1107/S2056989018007971","","","0.71073","MoKα","","0.0486","0.034","","","0.0797","0.0908","","","","","","1.031","","","","has coordinates,has Fobs","208132","2020-10-21","18:00:00",""
"2242517","14.38617","0.00009","9.00514","0.00005","17.22745","0.00012","90","","112.617","0.0007","90","","2060.17","0.02","108.3","0.2","108.3","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tris(3,5-dimethylphenyl)phosphine","Tris(3,5-dimethylphenyl)phosphane","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","HB7751","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0359","0.0355","","","0.099","0.0993","","","","","","1.054","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242518","14.65624","0.00011","8.9796","0.00005","17.2794","0.00013","90","","114.205","0.0009","90","","2074.16","0.03","108.4","0.3","108.4","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tris(3,5-dimethylphenyl)phosphine oxide","Tris(3,5-dimethylphenyl)(oxo)-λ^5^-phosphane","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0376","0.0368","","","0.1018","0.1024","","","","","","1.088","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242519","12.3031","0.0006","10.2629","0.0005","37.856","0.002","90","","90","","90","","4779.9","0.4","108.8","0.4","108.8","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine","Tris(4-methoxy-3,5-dimethylphenyl)phosphane","","- C27 H33 O3 P -","- C27 H33 O3 P -","- C216 H264 O24 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0864","0.0731","","","0.189","0.198","","","","","","1.049","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242520","11.28601","0.00011","11.90008","0.00011","36.3801","0.0003","90","","90","","90","","4886.01","0.08","108.3","0.4","108.3","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","Tris(4-methoxy-3,5-dimethylphenyl)phosphine oxide","Tris(4-methoxy-3,5-dimethylphenyl(oxo)-λ^5^-phosphane","","- C27 H33 O4 P -","- C27 H33 O4 P -","- C216 H264 O32 P8 -","8","1","","Hill, Nathan D. D.; Boeré, René T.","Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides","Acta Crystallographica Section E","2018","74","7","889","894","10.1107/S2056989018007831","","","1.54184","CuKα","","0.0424","0.0386","","","0.0979","0.1003","","","","","","1.052","","","","has coordinates,has Fobs","208133","2020-10-21","18:00:00",""
"2242521","4.8637","0.0003","14.6601","0.001","16.6512","0.0009","90","","90","","90","","1187.27","0.13","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-[3-(2-Hydroxybenzylideneamino)phenyl]ethanone","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","XU5925","Moussa Slimane, Nabila; Bouhidel, Zakaria; Cherouana, Aouatef","A new crystal form and antimicrobial activity of (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone","Acta Crystallographica Section E","2018","74","7","884","888","10.1107/S205698901800806X","","","1.54184","CuKα","","0.0539","0.046","","","0.1148","0.1309","","","","","","1.069","","","","has coordinates,has Fobs","208134","2020-10-21","18:00:00",""
"2242522","25.531","0.006","4.8522","0.001","20.861","0.004","90","","107.81","0.03","90","","2460.4","1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1<i>H</i>)-one","","- C13 H10 N2 O2 S2 -","- C13 H10 N2 O2 S2 -","- C104 H80 N16 O16 S16 -","8","1","KQ2022","Chrysochos, Nicolas; Schulzke, Carola","Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","901","904","10.1107/S2056989018007892","","","0.71073","MoKα","","0.0585","0.043","","","0.1045","0.1132","","","","","","1.034","","","","has coordinates,has Fobs","208214","2020-10-21","18:00:00",""
"2242523","9.167","0.0009","10.4566","0.001","11.2499","0.0011","64.707","0.004","71.312","0.004","77.032","0.004","918.75","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)naphthalene","","- C25 H22 O -","- C25 H22 O -","- C50 H44 O2 -","2","1","","Mohamooda Sumaya, U.; KarunaKaran, J.; Biruntha, K.; MohanaKrishnan, A. K.; Usha, G.","Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene","Acta Crystallographica Section E","2018","74","7","939","943","10.1107/S2056989018008332","","","0.71073","MoKα","","0.1475","0.0566","","","0.1453","0.1931","","","","","","1.001","","","","has coordinates,has Fobs","208215","2020-10-21","18:00:00",""
"2242524","21.191","0.002","7.2352","0.0011","12.9569","0.0014","90","","103.92","0.011","90","","1928.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-4-(4-Hydroxybenzylidene)-3-methylisoxazol-5(4<i>H</i>)-one","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C88 H72 N8 O24 -","8","1","ZP2027","Zemamouche, Wissem; Laroun, Rima; Hamdouni, Noudjoud; Brihi, Ouarda; Boudjada, Ali; Debache, Abdelmadjid","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","926","930","10.1107/S2056989018007867","","","0.71073","MoKα","","0.0543","0.0395","","","0.105","0.1133","","","","","","1.039","","","","has coordinates,has Fobs","208216","2020-10-21","18:00:00",""
"2242525","6.8156","0.0007","16.1449","0.0015","9.587","0.0009","90","","92.727","0.002","90","","1053.73","0.18","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sodium Tiron H2O","Disodium 4,5-dihydroxybenzene-1,3-disulfonate","","- C6 H6 Na2 O9 S2 -","- C6 H6 Na2 O9 S2 -","- C24 H24 Na8 O36 S8 -","4","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.0248","0.0232","","","0.0693","0.0705","","","","","","1.077","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242526","6.5023","0.0015","18.779","0.004","20.236","0.004","90","","90","","90","","2471","0.9","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","NH4 Tiron","Diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate","","- C6 H14 N2 O9 S2 -","- C6 H14 N2 O9 S2 -","- C48 H112 N16 O72 S16 -","8","1","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.1106","0.0545","","","0.1064","0.1271","","","","","","1.011","","","","has coordinates,has Fobs","208217","2020-10-21","18:00:00",""
"2242527","9.5847","0.0018","7.4498","0.0015","17.599","0.004","90","","102.997","0.004","90","","1224.4","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-4,5-Dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemihydrate","","- C12 H18 Li4 O21 S4 -","- C12 H18 Li4 O21 S4 -","- C24 H36 Li8 O42 S8 -","2","0.5","ZL2730","Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.","Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates","Acta Crystallographica Section E","2018","74","7","918","925","10.1107/S2056989018008009","","","0.71073","MoKα","","0.054","0.0405","","","0.0941","0.1003","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","208217","2020-10-21","18:00:00",""
"2242528","8.4601","0.0002","10.9425","0.0003","13.5321","0.0004","78.188","0.002","88.644","0.002","75.442","0.002","1186.32","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate","","- C20 H26 Cl3 N2 O6 P -","- C20 H26 Cl3 N2 O6 P -","- C40 H52 Cl6 N4 O12 P2 -","2","1","LH5875","Brovarets, V. S.; Golovchenko, O. V.; Rusanov, E. B.; Rusanova, J. A.","Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate","Acta Crystallographica Section E","2018","74","7","915","917","10.1107/S2056989018008277","","","0.71073","MoKα","","0.0609","0.0391","","","0.0837","0.09","","","","","","1.081","","","","has coordinates,has Fobs","208218","2020-10-21","18:00:00",""
"2242529","12.9877","0.001","14.8982","0.001","8.5593","0.0006","90","","91.806","0.002","90","","1655.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)<i>-N</i>'-[1-(4-Aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate","","- C16 H18 I N3 O3 -","- C16 H18 I N3 O3 -","- C64 H72 I4 N12 O12 -","4","1","SJ5557","Nguyen Tien, Cong; Le Thi Thu, Huong; Nguyen Van, Thin; Vu Quoc, Trung; Vu Quoc, Manh; Pham Chien, Thang; Van Meervelt, Luc","Crystal structure of (<i>E</i>)<i>-N</i>'-[1-(4-aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate","Acta Crystallographica Section E","2018","74","7","910","914","10.1107/S2056989018008204","","","0.71073","MoKα","","0.0207","0.0169","","","0.0391","0.041","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","208219","2020-10-21","18:00:00",""
"2242530","14.1073","0.0003","16.0156","0.0003","13.7785","0.0003","90","","95.006","0.001","90","","3101.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride","","- C31 H46 Cl N O7 -","- C31 H46 Cl N O7 -","- C124 H184 Cl4 N4 O28 -","4","1","RZ5236","Siddiqui, Rubina; Iqbal, Urooj; Saify, Zafar Saeed; Akhter, Shammim; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride","Acta Crystallographica Section E","2018","74","7","931","934","10.1107/S2056989018008125","","","1.54178","CuKα","","0.0523","0.0379","","","0.0875","0.0939","","","","","","1.014","","","","has coordinates,has Fobs","208220","2020-10-21","18:00:00",""
"2242531","21.7056","0.0018","11.9074","0.0009","10.9562","0.0006","90","","119.084","0.005","90","","2474.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate","","- C6 H10 Cl3 N5 O3 -","- C6 H10 Cl3 N5 O3 -","- C48 H80 Cl24 N40 O24 -","8","1","ZS2400","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson","Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate","Acta Crystallographica Section E","2018","74","7","944","948","10.1107/S2056989018008307","","","0.71073","MoKα","","0.0628","0.0462","","","0.1436","0.1594","","","","","","1.008","","","","has coordinates,has Fobs","208301","2020-10-21","18:00:00",""
"2242532","9.59912","0.00006","9.59912","0.00006","7.09284","0.00006","90","","90","","120","","565.996","0.007","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","Dicalcium octacerium hexakis(silicate) dioxide","","- Ca2 Ce8 O26 Si6 -","- Ca2 Ce8 O26 Si6 -","- Ca2 Ce8 O26 Si6 -","1","0.0833333","","Massoni, Nicolas; Hegron, Ronan; Campayo, Lionel","Reinvestigation of the crystal structure of Ca~2~Ce~8~(SiO~4~)~6~O~2~ apatite by Rietveld refinement","Acta Crystallographica Section E","2018","74","7","955","959","10.1107/S2056989018008435","powder diffraction","","1.54176","CuKα~1~","","0.0458","0.0438","","0.0442","0.0438","","","","1.76","","","1.76","","","","has coordinates","208302","2020-10-21","18:00:00",""
"2242533","10.475","0.004","16.884","0.004","15.514","0.002","90","","90","","90","","2743.8","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","[3-(Azaniumylmethyl)cyclohexyl]methanaminium dinitrate","","- C8 H20 N4 O6 -","- C8 H20 N4 O6 -","- C64 H160 N32 O48 -","8","1","XU5926","Chebbi, Hammouda; Mezrigui, Samia; Ben Jomaa, Meriam; Zid, Mohamed Faouzi","Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate","Acta Crystallographica Section E","2018","74","7","949","954","10.1107/S2056989018008381","","","0.71073","MoKα","","0.2211","0.0622","","","0.1211","0.1725","","","","","","0.975","","","","has coordinates,has Fobs","208303","2020-10-21","18:00:00",""
"2242534","14.2792","0.0018","9.8936","0.0013","11.4978","0.0013","90","","97.539","0.004","90","","1610.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(<i>tert</i>-Butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one","","- C18 H24 N2 O -","- C18 H24 N2 O -","- C72 H96 N8 O4 -","4","1","RZ5237","Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.","Crystal structure of (<i>E</i>)-2-(<i>tert</i>-butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one","Acta Crystallographica Section E","2018","74","7","973","976","10.1107/S2056989018008514","","","0.71073","MoKα","","0.1828","0.0785","","","0.1149","0.1428","","","","","","1.013","","","","has coordinates,has Fobs","208413","2020-10-21","18:00:00",""
"2242535","8.7657","0.0006","27.285","0.002","14.6938","0.0013","90","","90","","90","","3514.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-[4-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","","- C21 H14 N4 O2 -","- C21 H14 N4 O2 -","- C168 H112 N32 O16 -","8","1","QM2124","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Iskenderov, Turganbay S.; Yildiz, S. Zeki","Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate","Acta Crystallographica Section E","2018","74","7","994","997","10.1107/S2056989018008745","","","0.71073","MoKα","","0.1052","0.0444","","","0.0891","0.1056","","","","","","0.906","","","","has coordinates,has Fobs","208531","2020-10-21","18:00:00",""
"2242536","8.2264","0.0014","12.956","0.002","13.173","0.002","90","","96.471","0.003","90","","1395","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[chloridocuprate(II)]","","- C20 H34 Cl2 Cu2 N4 O8 -","- C20 H34 Cl2 Cu2 N4 O8 -","- C40 H68 Cl4 Cu4 N8 O16 -","2","0.5","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0762","0.0412","","","0.0837","0.0942","","","","","","1.017","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242537","8.438","0.004","16.315","0.007","15.131","0.007","90","","96.53","0.01","90","","2069.5","1.6","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-chlorido] monohydrate]","","- C14 H25 Cl Cu2 N2 O9 -","- C14 H25 Cl Cu2 N2 O9 -","- C56 H100 Cl4 Cu8 N8 O36 -","4","1","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.1346","0.0818","","","0.2342","0.2654","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","208532","2020-10-21","18:00:00",""
"2242538","8.0542","0.0009","8.1633","0.0009","16.7195","0.0019","98.126","0.003","94.745","0.003","92.964","0.003","1082.3","0.2","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[1-ethyl-3-methylimidazolium [[tetra-μ-acetato-dicuprate(II)]-μ-acetato]]","","- C16 H26 Cu2 N2 O10 -","- C16 H26 Cu2 N2 O10 -","- C32 H52 Cu4 N4 O20 -","2","1","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0369","0.0289","","","0.098","0.1067","","","","","","0.814","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242539","7.9526","0.0005","8.0951","0.0005","18.8886","0.0011","79.177","0.0016","78.95","0.0016","89.932","0.0015","1171.46","0.12","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-ethyl-3-methylimidazolium) tetra-μ-acetato-bis[aquacopper(II)] tetra-μ-acetato-bis[acetatocuprate(II)] dihydrate","","- C32 H60 Cu4 N4 O24 -","- C32 H60 Cu4 N4 O24 -","- C32 H60 Cu4 N4 O24 -","1","0.5","ZP2028","Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.","Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride","Acta Crystallographica Section E","2018","74","7","981","986","10.1107/S2056989018008538","","","0.71073","MoKα","","0.0525","0.0339","","","0.0866","0.1012","","","","","","1.418","","","","has coordinates,has Fobs","208532","2020-10-21","18:00:00",""
"2242540","11.0257","0.0005","14.0341","0.0006","17.4469","0.0007","113.411","0.001","94.083","0.001","96.681","0.001","2440.09","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","dibromo hydrido phosphido bis triphenyl phosphine diplatinum II","μ-Diphenylphosphido-μ-hydrido-bis[bromido(triphenylphosphane-κ<i>P</i>)platinum(II)] diethyl ether monosolvate","","- C52 H51 Br2 O P3 Pt2 -","- C52 H51 Br2 O P3 Pt2 -","- C104 H102 Br4 O2 P6 Pt4 -","2","1","XU5929","Ouis, Sakina; Rouag, Djamil Azzedine; Bendjeddou, Lamia; Bailly, Corinne","Crystal structure of homodinuclear platinum complex containing a metal‒metal bond bridged by hydride and phosphide ligands","Acta Crystallographica Section E","2018","74","7","977","980","10.1107/S205698901800868X","","","0.71073","MoKα","","0.0335","0.0229","","","0.0532","0.0571","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","208533","2020-10-21","18:00:00",""
"2242541","24.3079","0.0016","7.5677","0.0004","18.4555","0.0014","90","","110.024","0.008","90","","3189.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(2-Hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","XU5928","Boudebbous, Khawla; Zemamouche, Wissem; Debache, Abdelmadjid; Hamdouni, Noudjoud; Boudjada, Ali","Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide","Acta Crystallographica Section E","2018","74","7","1002","1005","10.1107/S2056989018008423","","","0.7107","MoKα","","0.0931","0.0558","","","0.1396","0.1591","","","","","","1.026","","","","has coordinates,has Fobs","208582","2020-10-21","18:00:00",""
"2242542","4.493","0.002","4.493","0.002","2.9121","0.0013","90","","90","","90","","58.79","0.05","298","0.1","298","0.1","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Germanium titanium tetraoxide","","- Ge1.14 O4 Ti0.86 -","- Ge1.14 O4 Ti0.86 -","- Ge1.14 O4 Ti0.86 -","1","0.0625","WM5451","Stoyanov, Emil; Leinenweber, Kurt; Groy, Thomas L.; Malik, Abds-Sami","Ge~0.57~Ti~0.43~O~2~: a new high-pressure material with rutile-type crystal structure","Acta Crystallographica Section E","2018","74","7","1010","1012","10.1107/S2056989018008988","","","0.71073","MoKα","","0.0181","0.0178","","","0.0495","0.0496","","","","","","1.204","","","","has coordinates,has Fobs","208649","2020-10-21","18:00:00",""
"2242543","8.2123","0.0003","8.7728","0.0003","13.4788","0.0003","91.005","0.002","96.975","0.002","115.515","0.003","867.24","0.05","102.3","0.9","102.3","0.9","","","","","","","","4","P -1","-P 1","2","","Bis{tricarbonyl[η^5^-tetramethyl(phenethyl)cyclopentadienyl]molybdenum}(<i>Mo</i>—<i>Mo</i>)","","- C40 H42 Mo2 O6 -","- C40 H42 Mo2 O6 -","- C40 H42 Mo2 O6 -","1","0.5","PJ2053","Brown, Loren; Maron, Danny; Smith, Casey; Merola, Joseph","Crystal structure of the tetramethyl(phenethyl)cyclopentadienylmolybdenumtricarbonyl dimer","Acta Crystallographica Section E","2018","74","7","1017","1020","10.1107/S2056989018008885","","","0.71073","MoKα","","0.0336","0.028","","","0.0563","0.0582","","","","","","1.055","","","","has coordinates,has Fobs","208650","2020-10-21","18:00:00",""
"2242544","13.2798","0.0008","5.9792","0.0003","13.413","0.0009","90","","113.046","0.007","90","","980.03","0.11","200","2","200","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","2-[2-(Pyridin-3-yl)diazen-1-yl]aniline","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","WM5450","Peters, Morten K.; Näther, Christian; Herges, Rainer","Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline","Acta Crystallographica Section E","2018","74","7","1013","1016","10.1107/S2056989018008605","","","0.71073","MoKα","","0.0483","0.0387","","","0.1078","0.1133","","","","","","1.039","","","","has coordinates,has Fobs","208651","2020-10-21","18:00:00",""
"2242545","18.084","0.002","7.3858","0.001","20.614","0.003","90","","104.725","0.005","90","","2662.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-({4,6-bis[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)oxy]-1,3,5-triazin-2-yl}oxy)-5,5-dimethylcyclohex-2-en-1-one","3,3',3''-[(1,3,5-Triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)","","- C27 H33 N3 O6 -","- C27 H33 N3 O6 -","- C108 H132 N12 O24 -","4","1","ZP2030","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Mammadova, Gunay Z.; Panahova, Humay M.","Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2018","74","7","1035","1038","10.1107/S2056989018009003","","","0.71073","MoKα","","0.1156","0.0529","","","0.1247","0.1589","","","","","","1.013","","","","has coordinates,has Fobs","208716","2020-10-21","18:00:00",""
"2242546","7.059","0.0006","23.851","0.002","15.3622","0.0013","90","","93.337","0.003","90","","2582.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate","","- C23 H27 N5 O10 S -","- C23 H27 N5 O10 S -","- C92 H108 N20 O40 S4 -","4","1","QM2125","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Huseynov, Fatali E.; Hajiyeva, Sarvinaz F.","Crystal structure and Hirshfeld surface analysis of ethane-1,2-diaminium 3-[2-(1,3-dioxo-1,3-diphenylpropan-2-ylidene)hydrazinyl]-5-nitro-2-oxidobenzenesulfonate dihydrate","Acta Crystallographica Section E","2018","74","7","1021","1025","10.1107/S2056989018009118","","","0.71073","MoKα","","0.0692","0.0426","","","0.0988","0.1123","","","","","","1.018","","","","has coordinates,has Fobs","208717","2020-10-21","18:00:00",""
"2242547","18.758","0.002","7.1508","0.0008","11.9909","0.0014","90","","98.2117","0.0017","90","","1591.9","0.3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-(Adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide","","- C17 H23 Br N2 O -","- C17 H23 Br N2 O -","- C68 H92 Br4 N8 O4 -","4","1","RZ5239","Kwong, Huey Chong; Mahmud Pathi, Imdad; Chidan Kumar, C. S.; Quah, Ching Kheng; Arafath, Md. Azharul","Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-(adamantan-1-yl)-2-oxoethyl]pyridin-4-iminium bromide","Acta Crystallographica Section E","2018","74","7","1030","1034","10.1107/S2056989018009131","","","0.71073","MoKα","","0.0672","0.0353","","","0.0709","0.08","","","","","","1.008","","","","has coordinates,has Fobs","208718","2020-10-21","18:00:00",""
"2242548","6.293","0.0008","5.3712","0.0007","14.0916","0.0017","90","","92.885","0.002","90","","475.71","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic acid","","- C9 H12 O6 -","- C9 H12 O6 -","- C18 H24 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2<i>R</i>,3<i>R</i>)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0689","0.0429","","","0.0733","0.0825","","","","","","1.058","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242549","6.4272","0.0008","5.2976","0.0006","15.5678","0.0019","90","","94.469","0.002","90","","528.45","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(2R,3R)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.5]decane-2,3-dicarboxylic acid","","- C10 H14 O6 -","- C10 H14 O6 -","- C20 H28 O12 -","2","1","EB2009","Minyaev, Mikhail E.; Roitershtein, Dmitrii M.; Vinogradov, Alexey A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.","(2<i>R</i>,3<i>R</i>)-1,4-Dioxaspiro[4.4]nonane-2,3-dicarboxylic and (2<i>R</i>,3<i>R</i>)-1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acids","Acta Crystallographica Section E","2018","74","8","1058","1062","10.1107/S2056989018009593","","","0.71073","MoKα","","0.0293","0.0276","","","0.0703","0.0717","","","","","","1.051","","","","has coordinates,has Fobs","208937","2020-10-21","18:00:00",""
"2242550","8.9212","0.0012","8.6601","0.0011","20.538","0.003","90","","96.896","0.003","90","","1575.3","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(3-Bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 Br F O3 -","- C17 H14 Br F O3 -","- C68 H56 Br4 F4 O12 -","4","1","RZ5240","Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Veeraiah, M. K.; Quah, Ching Kheng; Chidan Kumar, C. S.; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(3-bromo-4-fluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1063","1066","10.1107/S2056989018009416","","","0.71073","MoKα","","0.0703","0.0464","","","0.1343","0.1485","","","","","","1.051","","","","has coordinates,has Fobs","208938","2020-10-21","18:00:00",""
"2242551","7.782","0.005","8.185","0.005","8.811","0.005","96.785","0.005","113.856","0.005","109.14","0.005","464","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Diaqua[bis(2-(2-hydroxyethyl)pyridine-κ2N,O) nickel (II)] dinitrate","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>)nickel(II) dinitrate","","- C14 H22 N4 Ni O10 -","- C14 H22 N4 Ni O10 -","- C14 H22 N4 Ni O10 -","1","0.5","VN2135","Zeghouan, Ouahida; Dems, Mohamed AbdEsselem; Sellami, Seifeddine; Merazig, Hocine; Daran, Jean Claude","A strongly fluorescent Ni^II^ complex with 2-(2-hydroxyethyl)pyridine ligands: synthesis, characterization and theoretical analysis and comparison with a related polymeric Cu^II^ complex","Acta Crystallographica Section E","2018","74","8","1042","1048","10.1107/S2056989018009301","","","0.71073","MoKα","","0.0182","0.0182","","","0.0506","0.0506","","","","","","1.084","","","","has coordinates,has Fobs","208939","2020-10-21","18:00:00",""
"2242552","8.9333","0.0018","8.9998","0.0018","15.949","0.003","78.92","0.03","81.04","0.03","68.43","0.03","1165.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tetraaqua[<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide]sulfatomanganese(II) dihydrate","","- C17 H25 Mn N5 O12 S -","- C17 H25 Mn N5 O12 S -","- C34 H50 Mn2 N10 O24 S2 -","2","1","CQ2024","Guo, Yue-Xin; Ma, Hong-Cui; Bo, Ren; Zhao, Ning; Zhao, Li-Gang; Li, Jin-Peng; Hou, Hong-Wei","Two <i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds","Acta Crystallographica Section E","2018","74","8","1049","1053","10.1107/S2056989018007351","","","0.71073","MoKα","","0.0467","0.0373","","","0.0851","0.0915","","","","","","1.065","","","","has coordinates,has Fobs","208941","2020-10-21","18:00:00",""
"2242553","14.706","0.003","10.157","0.002","27.293","0.006","90","","99.52","0.03","90","","4020.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraaquabis[<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-\ dicarboxamide]cadmium(II) sulfate tetrahydrate","","- C34 H42 Cd N10 O16 S -","- C34 H42 Cd N10 O16 S -","- C136 H168 Cd4 N40 O64 S4 -","4","0.5","CQ2024","Guo, Yue-Xin; Ma, Hong-Cui; Bo, Ren; Zhao, Ning; Zhao, Li-Gang; Li, Jin-Peng; Hou, Hong-Wei","Two <i>N</i>,<i>N</i>'-bis(pyridin-4-yl)pyridine-2,6-dicarboxamide coordination compounds","Acta Crystallographica Section E","2018","74","8","1049","1053","10.1107/S2056989018007351","","","0.71073","MoKα","","0.0557","0.0505","","","0.1243","0.1283","","","","","","1.138","","","","has coordinates,has Fobs","208941","2020-10-21","18:00:00",""
"2242554","7.1477","0.0002","11.0616","0.0003","13.346","0.0004","90","","104.929","0.003","90","","1019.58","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","Aqua(2-{[2-({2-[bis(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>]ethyl}(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","","- C14 H28 Ga N3 O14 -","- C14 H28 Ga N3 O14 -","- C28 H56 Ga2 N6 O28 -","2","1","IS5497","Wallin, Martin; Turner, Peter; Katsifis, Andrew; Yang, Mingshi; Chan, Hak-Kim","Crystal structure of aqua(2-{[2-({2-[bis(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>]ethyl}(carboxylato-κ<i>O</i>-methyl)amino-κ<i>N</i>)ethyl](carboxymethyl)azaniumyl}acetato)gallium(III) trihydrate","Acta Crystallographica Section E","2018","74","8","1054","1057","10.1107/S2056989018009428","","","0.71073","MoKα","","0.0624","0.0435","","","0.067","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","208942","2020-10-21","18:00:00",""
"2242555","11.3885","0.0008","11.7598","0.0007","15.6703","0.001","82.041","0.005","70.671","0.006","85.87","0.005","1960.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(Acetato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)[tris(pyridin-2-ylmethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']manganese(II) tetraphenylborate","","- C45 H45 B Mn N4 O3 -","- C45 H45 B Mn N4 O3 -","- C90 H90 B2 Mn2 N8 O6 -","2","1","TX2006","Frey, Steven T.; Ramirez, Hillary A.; Kaur, Manpreet; Jasinski, Jerry P.","Crystal structure of a seven-coordinate manganese(II) complex with tris(pyridin-2-ylmethyl)amine (TMPA)","Acta Crystallographica Section E","2018","74","8","1075","1078","10.1107/S2056989018009611","","","0.71073","MoKα","","0.0751","0.0472","","","0.1052","0.122","","","","","","1.028","","","","has coordinates,has Fobs","208965","2020-10-21","18:00:00",""
"2242556","5.2794","0.0004","8.8686","0.0006","11.5321","0.0009","90","","90","","90","","539.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Proline","(<i>S</i>)-Pyrrolidine-2-carboxylic acid","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","EB2008","Koenig, Jonas J.; Neudörfl, Jörg-M.; Hansen, Anne; Breugst, Martin","Redetermination of the solvent-free crystal structure of <small>L</small>-proline","Acta Crystallographica Section E","2018","74","8","1067","1070","10.1107/S2056989018009490","","","1.54178","CuKα","","0.0392","0.0356","","","0.0839","0.0855","","","","","","1.109","","","","has coordinates,has Fobs","208966","2020-10-21","18:00:00",""
"2242557","4.7565","0.0003","11.3377","0.0009","15.759","0.0013","70.415","0.004","87.23","0.004","85.238","0.004","797.73","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (<i>E</i>)-4-[(4-Hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate","","- C17 H16 N2 O6 -","- C17 H16 N2 O6 -","- C34 H32 N4 O12 -","2","1","SU5450","Victoria, Antony Samy; Sivajeyanthi, Palaniyappan; Elangovan, Natarajan; Balasubramani, Kasthuri; Kolochi, Thathan; Thanikasalam, Kanagasabapathy","Crystal structure and Hirshfeld surface analysis of ethyl (<i>E</i>)-4-[(4-hydroxy-3-methoxy-5-nitrobenzylidene)amino]benzoate","Acta Crystallographica Section E","2018","74","8","1079","1082","10.1107/S2056989018009465","","","0.71073","MoKα","","0.0969","0.0608","","","0.1491","0.1756","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","208967","2020-10-21","18:00:00",""
"2242558","7.6419","0.0007","11.8889","0.0013","14.8082","0.0016","90","","90","","90","","1345.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Ethyl-<i>N</i>-(4-nitrobenzylidene)aniline","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","ZL2733","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","The crystal structure of (<i>E</i>)-2-ethyl-<i>N</i>-(4-nitrobenzylidene)aniline: three-dimensional supramolecular assembly mediated by C—H···O hydrogen bonds and nitro···π(arene) interactions","Acta Crystallographica Section E","2018","74","8","1071","1074","10.1107/S2056989018009544","","","0.71073","MoKα","","0.1081","0.0396","","","0.087","0.1199","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","208968","2020-10-21","18:00:00",""
"2242559","7.9416","0.0016","19.202","0.004","12.497","0.003","90","","99.663","0.003","90","","1878.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1355","0.0969","","","0.197","0.2184","","","","","","0.998","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242560","13.921","0.003","11.296","0.002","22.623","0.005","90","","90","","90","","3557.5","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C176 H160 N16 O16 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1135","0.0742","","","0.1609","0.1896","","","","","","1.045","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2242561","13.928","0.003","10.684","0.002","22.368","0.005","90","","90","","90","","3328.5","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-(Furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","YK2115","Zaytsev, Vladimir P.; Sorokina, Elena A.; Kvyatkovskaya, Elisaveta A.; Toze, Flavien A. A.; Mhaldar, Shashank N.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","Three-component reaction between isatoic anhydride, amine and furan-2-ylmethylacrylaldehyde: crystal structures of 3-benzyl-2-[(<i>E</i>)-2-(5-methylfuran-2-yl)vinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one, 3-benzyl-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one and 3-(furan-2-ylmethyl)-2-[(<i>E</i>)-2-(furan-2-yl)-1-methylvinyl]-2,3-dihydroquinazolin-4(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","8","1101","1106","10.1107/S2056989018009982","","","0.9699","synchrotron","","0.1229","0.0888","","","0.1962","0.2238","","","","","","1.054","","","","has coordinates,has Fobs","209028","2020-10-21","18:00:00",""
"2242562","9.0554","0.0008","17.426","0.0015","12.9217","0.0009","90","","119.916","0.005","90","","1767.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(<i>E</i>)-1-(Anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","JJ2199","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and UV‒Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1087","1092","10.1107/S205698901800974X","","","0.71073","MoKα","","0.0797","0.0538","","","0.1304","0.1458","","","","","","1.081","","","","has coordinates,has Fobs","209029","2020-10-21","18:00:00",""
"2242563","8.6646","0.0005","9.5752","0.0005","11.5636","0.0006","100.593","0.002","105.443","0.002","92.422","0.002","904.76","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","","- C24 H17 F O2 -","- C24 H17 F O2 -","- C48 H34 F2 O4 -","2","1","","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Molecular structure, DFT studies and UV‒Vis absorption of two new linear fused ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","8","1087","1092","10.1107/S205698901800974X","","","0.71073","MoKα","","0.0991","0.0593","","","0.1483","0.1827","","","","","","1.019","","","","has coordinates,has Fobs","209029","2020-10-21","18:00:00",""
"2242564","7.7483","0.0002","19.3451","0.0006","7.2338","0.0002","90","","90","","90","","1084.29","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","Dimethyl 5-iodoisophthalate","1,3-Dimethyl 1-iodocyclohexa-3,5-diene-1,3-dicarboxylate","","- C10 H9 I O4 -","- C10 H9 I O4 -","- C40 H36 I4 O16 -","4","1","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0164","0.0154","","","0.0375","0.0379","","","","","","1.054","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242565","10.1206","0.0005","6.6219","0.0004","16.3658","0.0008","90","","90","","90","","1096.8","0.1","223","2","223","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Dimethyl 5-ethynylisophthalate","1,3-Dimethyl 1-ethynylcyclohexa-3,5-diene-1,3-dicarboxylate","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","0.5","ZL2732","Hauptvogel, Ines; Seichter, Wilhelm; Weber, Edwin","Crystal structures of dimethyl 5-iodoisophthalate and dimethyl 5-ethynylisophthalate","Acta Crystallographica Section E","2018","74","8","1093","1096","10.1107/S205698901800912X","","","0.71073","MoKα","","0.0608","0.0385","","","0.0947","0.1096","","","","","","1.029","","","","has coordinates,has Fobs","209030","2020-10-21","18:00:00",""
"2242566","19.103","0.005","17.414","0.004","19.053","0.005","90","","90","","90","","6338","3","296","2","296","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate","","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C57 H54 Br4 Cl2 N8 Ni2 O13 -","- C228 H216 Br16 Cl8 N32 Ni8 O52 -","4","0.5","LH5876","Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.","The crystal structure of bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds","Acta Crystallographica Section E","2018","74","8","1121","1125","10.1107/S2056989018010277","","","0.71073","MoKα","","0.11","0.0607","","","0.1535","0.1783","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","209163","2020-10-21","18:00:00",""
"2242567","12.147","0.012","12.341","0.012","19.406","0.019","91.433","0.011","90.181","0.011","119.182","0.009","2539","4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1,2,3,4-(1,4-Dimethoxy)-5-(1-hydroxy-4-methoxy)-pillar[5]arene‒1-octanamine‒water (1/1/1)","10,15,19,25,27,28,31,33,34-Nonamethoxyhexacyclo[21.2.2.2^{3,6}.2^{8,11}.2^{13,16}.2^{18,21}]pentatriaconta-1(25),3(35),4,6(34),8,10,13,15,18,20,23,26,28,30,32-pentadecaen-4-ol‒1-octanamine‒water (1/1/1)","","- C52 H69 N O11 -","- C52 H69 N O11 -","- C104 H138 N2 O22 -","2","1","DX2005","Al-Azemi, Talal F.; Vinodh, Mickey; Mohamod, Abdirahman A.; Alipour, Fatemeh H.","Single-crystal X-ray diffraction study of a host‒guest system comprising monofunctionalized-hydroxy pillar[5]arene and 1-octanamine","Acta Crystallographica Section E","2018","74","8","1117","1120","10.1107/S2056989018010034","","","0.71075","MoKα","","0.1987","0.0937","","","0.2706","0.3488","","","","","","0.954","","","","has coordinates,has Fobs","209164","2020-10-21","18:00:00",""
"2242568","5.0531","0.0002","11.4478","0.0005","13.2945","0.0005","90","","93.245","0.001","90","","767.81","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Benzamide","2-Iodobenzamide","","- C7 H6 I N O -","- C7 H6 I N O -","- C28 H24 I4 N4 O4 -","4","1","SJ5558","Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2018","74","8","1130","1133","10.1107/S2056989018010162","","","0.71073","MoKα","","0.0151","0.0144","","","0.0328","0.033","","","","","","1.157","","","","has coordinates,has Fobs","209165","2020-10-21","18:00:00",""
"2242569","5.1225","0.0002","10.4572","0.0004","12.2167","0.0005","66.034","0.002","78.882","0.002","85.76","0.002","586.76","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Benzamide","2-Iodo-<i>N</i>-phenylbenzamide","","- C13 H10 I N O -","- C13 H10 I N O -","- C26 H20 I2 N2 O2 -","2","1","SJ5558","Bairagi, Keshab M.; Kumar, Vipin B. S.; Bhandary, Subhrajyoti; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis of 2-iodobenzamide and 2-iodo-<i>N</i>-phenylbenzamide","Acta Crystallographica Section E","2018","74","8","1130","1133","10.1107/S2056989018010162","","","0.71073","MoKα","","0.0172","0.0168","","","0.0421","0.0422","","","","","","1.076","","","","has coordinates,has Fobs","209165","2020-10-21","18:00:00",""
"2242570","7.5538","0.001","8.2591","0.0011","9.7145","0.0013","85.9415","0.0016","72.9167","0.0016","67.6989","0.0015","535.42","0.12","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Allyl-4-methylbenzenesulfonamide","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C20 H26 N2 O4 S2 -","2","1","WM5455","Patel, Zeel S.; Stevens, Amanda C.; Bookout, Erin C.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.","Crystal structure of <i>N</i>-allyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2018","74","8","1126","1129","10.1107/S2056989018010290","","","0.71073","MoKα","","0.0653","0.0532","","","0.1416","0.1556","","","","","","1.089","","","","has coordinates,has Fobs","209166","2020-10-21","18:00:00",""
"2242571","13.1124","0.0014","9.8498","0.0006","19.737","0.002","90","","106.892","0.008","90","","2439.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","1","XU5931","Sen, Pinar; Kansiz, Sevgi; Golenya, Irina A.; Dege, Necmi","Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(3-<i>tert</i>-butyl-2-hydroxy-5-methylbenzylidene)ethane-1,2-diamine","Acta Crystallographica Section E","2018","74","8","1147","1150","10.1107/S2056989018009726","","","0.71073","MoKα","","0.1426","0.0439","","","0.079","0.099","","","","","","0.784","","","","has coordinates,has Fobs","209235","2020-10-21","18:00:00",""
"2242572","11.3597","0.0003","16.9611","0.0004","14.5514","0.0003","90","","95.622","0.002","90","","2790.18","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Acetonitrile)[2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethylamine]copper(II) bis(perchlorate)","","- C25 H26 Cl2 Cu N4 O9 -","- C25 H26 Cl2 Cu N4 O9 -","- C100 H104 Cl8 Cu4 N16 O36 -","4","1","TX2007","Frey, Steven T.; Li, Jason; Kaur, Manpreet; Jasinski, Jerry P.","Crystal structure of a mononuclear copper(II) complex with 2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethylamine (DQMEA)","Acta Crystallographica Section E","2018","74","8","1138","1141","10.1107/S2056989018010319","","","0.71073","MoKα","","0.085","0.0496","","","0.1189","0.1408","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","209236","2020-10-21","18:00:00",""
"2242573","15.6497","0.0019","15.6497","0.0019","15.6497","0.0019","90","","90","","90","","3832.8","0.8","173","2","173.15","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","2-Bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane","","- C9 H27 Br Si4 -","- C9 H27 Br Si4 -","- C72 H216 Br8 Si32 -","8","0.333333","","Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.","Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","Acta Crystallographica Section E","2018","74","8","1142","1146","10.1107/S2056989018009696","","","0.71073","MoKα","","0.0405","0.0284","","","0.0683","0.0748","","","","","","1.05","","","","has coordinates,has Fobs","209237","2020-10-21","18:00:00",""
"2242574","8.4412","0.0004","11.1336","0.0006","18.8477","0.001","92.565","0.004","90.527","0.004","108.718","0.004","1675.44","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-Bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","","- C27 H63 Br Si4 -","- C27 H63 Br Si4 -","- C54 H126 Br2 Si8 -","2","1","","Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.","Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane","Acta Crystallographica Section E","2018","74","8","1142","1146","10.1107/S2056989018009696","","","0.71073","MoKα","","0.0705","0.0371","","","0.0661","0.0751","","","","","","1.01","","","","has coordinates,has Fobs","209237","2020-10-21","18:00:00",""
"2242575","14.996","0.003","5.574","0.0011","20.607","0.004","90","","112.55","0.03","90","","1590.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Calcium(II) bis[2-(2-{[(benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoate] monohydrate","","- C28 H38 Ca N4 O12 -","- C28 H38 Ca N4 O12 -","- C56 H76 Ca2 N8 O24 -","2","0.5","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","0.59038","synchrotron","","0.09","0.0776","","","0.2","0.214","","","","","","1.056","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242576","9.526","0.0019","28.608","0.006","10.27","0.002","90","","90","","90","","2798.8","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)-2-methylpropanoic acid","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C112 H144 N16 O40 -","8","1","EX2009","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","Crystal structures of <i>Z</i>‒Gly‒Aib‒O^{-^}·0.5Ca^2+^·H~2~O and <i>Z</i>‒Gly‒Aib‒OH","Acta Crystallographica Section E","2018","74","8","1173","1177","10.1107/S2056989018010745","","","1.54178","CuKα","","0.0419","0.0364","","","0.0869","0.0903","","","","","","1.094","","","","has coordinates,has Fobs","209275","2020-10-21","18:00:00",""
"2242577","11.8025","0.0002","12.9133","0.0002","6.8","0.0001","90","","110.759","0.001","90","","969.1","0.03","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Disilver(I) dizinc(II) iron(III) tris(orthovanadate)","","- Ag2 Fe O12 V3 Zn2 -","- Ag2 Fe O12 V3 Zn2 -","- Ag8 Fe4 O48 V12 Zn8 -","4","0.5","WM5454","Lamsakhar, Nour El Houda; Zriouil, Mohammed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of disilver(I) dizinc(II) iron(III) tris(orthovanadate) with an alluaudite-type structure","Acta Crystallographica Section E","2018","74","8","1155","1158","10.1107/S205698901801071X","","","0.71073","MoKα","","0.0244","0.0208","","","0.0468","0.0479","","","","","","1.127","","","","has coordinates,has Fobs","209276","2020-10-21","18:00:00",""
"2242578","11.2586","0.0008","6.8886","0.0005","23.0145","0.0016","90","","93.678","0.002","90","","1781.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[(2,3-Dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","","- C16 H14 Br Cl2 N3 S -","- C16 H14 Br Cl2 N3 S -","- C64 H56 Br4 Cl8 N12 S4 -","4","1","SJ5561","Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.; Huseynova, Afat T.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide","Acta Crystallographica Section E","2018","74","8","1168","1172","10.1107/S2056989018010496","","","0.71073","MoKα","","0.1007","0.0507","","","0.1022","0.1231","","","","","","1.041","","","","has coordinates,has disorder","209277","2020-10-21","18:00:00",""
"2242579","15.3042","0.0003","20.0723","0.0004","19.4935","0.0004","90","","96.158","0.001","90","","5953.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV)","","- C20 H4 F24 Hf O8 -","- C20 H4 F24.007 Hf O8 -","- C160 H32 F192.056 Hf8 O64 -","8","2","SJ5560","Schwandt, W. Franklin; Woods, Toby J.; Girolami, Gregory S.","Crystal structure of tetrakis(1,1,1,5,5,5-hexafluoroacetylacetonato)hafnium(IV)","Acta Crystallographica Section E","2018","74","8","1182","1185","10.1107/S2056989018010514","","","0.71073","MoKα","","0.0404","0.0307","","","0.0688","0.0736","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","209336","2020-10-21","18:00:00",""
"2242580","8.5851","0.001","16.8986","0.0019","9.3455","0.0011","90","","92.465","0.004","90","","1354.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[5-(4-Methoxyphenyl)-2-methyl-2<i>H</i>-1,2,3-triazol-4-yl](thiophen-2-yl)methanone","","- C15 H13 N3 O2 S -","- C15 H13 N3 O2 S -","- C60 H52 N12 O8 S4 -","4","1","XI2009","Bhandary, Subhrajyoti; Girish, Yarabhally R.; Venugopala, Katharigatta N.; Chopra, Deepak","Crystal structure analysis of [5-(4-methoxyphenyl)-2-methyl-2<i>H</i>-1,2,3-triazol-4-yl](thiophen-2-yl)methanone","Acta Crystallographica Section E","2018","74","8","1178","1181","10.1107/S2056989018010654","","","0.71073","MoKα","","0.089","0.0533","","","0.1011","0.1143","","","","","","1.032","","","","has coordinates,has Fobs","209337","2020-10-21","18:00:00",""
"2242581","8.3262","0.0011","14.8369","0.0019","14.0764","0.0013","90","","106.558","0.014","90","","1666.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[(<i>E</i>)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-3-nitrobenzoate","","- C16 H14 Br N3 O5 -","- C16 H14 Br N3 O5 -","- C64 H56 Br4 N12 O20 -","4","1","DX2007","Malek, Tanvirbanu J.; Gandhi, Sahaj A.; Barot, Vijay; Patel, Mukesh; Patel, Urmila H.","Crystal structure and Hirshfeld surface analysis of methyl 4-[(<i>E</i>)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-3-nitrobenzoate","Acta Crystallographica Section E","2018","74","9","1239","1243","10.1107/S2056989018011325","","","0.71073","MoKα","","0.1859","0.0964","","","0.1572","0.2019","","","","","","1.088","","","","has coordinates,has Fobs","209707","2020-10-21","18:00:00",""
"2242582","5.6582","0.0011","8.4632","0.0016","12.046","0.002","97.209","0.002","91.123","0.002","93.949","0.002","570.69","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]","","- C12 H22 N12 O12 Zn -","- C12 H22 N12 O12 Zn -","- C12 H22 N12 O12 Zn -","1","0.5","CQ2025","Chi-Duran, Ignacio; Enriquez, Javier; Vega, Andres; Herrera, Felipe; Pratap Singh, Dinesh","Hexaaquazinc(II) dinitrate bis[5-(pyridinium-3-yl)tetrazol-1-ide]","Acta Crystallographica Section E","2018","74","9","1231","1234","10.1107/S205698901801112X","","","0.71073","MoKα","","0.0227","0.0215","","","0.0535","0.0542","","","","","","1.084","","","","has coordinates,has Fobs","209708","2020-10-21","18:00:00",""
"2242583","11.8533","0.0005","6.8299","0.0003","14.7329","0.0006","90","","107.477","0.001","90","","1137.67","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(4-Acetyl-5-methyl-1<i>H</i>-1,2,3-triazol-1-yl)benzonitrile","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C48 H40 N16 O4 -","4","1","HB7764","Zukerman-Schpector, Julio; Dias, Cássio da S.; Schwab, Ricardo S.; Jotani, Mukesh M.; Tiekink, Edward R. T.","4-(4-Acetyl-5-methyl-1<i>H</i>-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","9","1195","1200","10.1107/S2056989018010885","","","0.71073","MoKα","","0.0485","0.0441","","","0.122","0.1264","","","","","","1.102","","","","has coordinates,has Fobs","209709","2020-10-21","18:00:00",""
"2242584","15.4081","0.0003","18.3762","0.0003","19.2154","0.0003","90","","90","","90","","5440.69","0.16","150","2","150","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","(Carbonyl-1κ<i>C</i>)(1η^5^-pentamethylcyclopentadienyl)(μ-2,3,9,10-tetramethyl-1,4,8,11-tetrathiaundeca-2,9-diene-1,11-diido-1κ^2^<i>S</i>,<i>S</i>''':2κ^4^<i>S</i>,<i>S</i>',<i>S</i>'',<i>S</i>''')ironnickel(<i>Fe</i>—<i>Ni</i>) hexafluorophosphate","","- C22 H33 F6 Fe Ni O P S4 -","- C22 H33 F6 Fe Ni O P S4 -","- C176 H264 F48 Fe8 Ni8 O8 P8 S32 -","8","1","ZL2735","Harrison, Daniel J.; Lough, Alan J.; Fekl, Ulrich","A new structural model for NiFe hydrogenases: an unsaturated analogue of a classic hydrogenase model leads to more enzyme-like Ni—Fe distance and interplanar fold","Acta Crystallographica Section E","2018","74","9","1222","1226","10.1107/S2056989018010939","","","0.71073","MoKα","","0.1025","0.052","","","0.122","0.148","","","","","","1.07","","","","has coordinates,has Fobs","209710","2020-10-21","18:00:00",""
"2242585","3.9867","0.0003","13.4564","0.0011","25.573","0.002","90","","90","","90","","1371.91","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-3-(2,4-Dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","DX2006","Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1201","1205","10.1107/S2056989018010976","","","0.71073","MoKα","","0.0503","0.0375","","","0.095","0.1024","","","","","","1.03","","","","has coordinates,has Fobs","209712","2020-10-21","18:00:00",""
"2242586","15.838","0.005","7.675","0.002","19.485","0.006","90","","99.335","0.004","90","","2337.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tricarbonyl-(1,3,6-triphenylfulvene) chromium (0)","Tricarbonyl(1,3,6-triphenylfulvene)chromium(0) benzene hemisolvate","","- C30 H21 Cr O3 -","- C30 H21 Cr O3 -","- C120 H84 Cr4 O12 -","4","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.1175","0.0566","","","0.1111","0.1411","","","","","","1.031","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242587","15.624","0.004","8.149","0.002","17.396","0.004","90","","90.706","0.003","90","","2214.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tricarbonyl-(1,3-diphenyl-6-(3-vinylphenyl)fulvene) chromium (0)","Tricarbonyl[1,3-diphenyl-6-(3-vinylphenyl)fulvene]chromium(0)","","- C29 H20 Cr O3 -","- C29 H20 Cr O3 -","- C116 H80 Cr4 O12 -","4","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.0612","0.0423","","","0.0971","0.1089","","","","","","1.078","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242588","8.6342","0.0012","9.407","0.0013","17.379","0.003","82.988","0.002","86.34","0.002","70.992","0.002","1324.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tricarbonyl-(1,3-diphenyl-6-pyrenylfulvene) chromium (0)","Tricarbonyl[1,3-diphenyl-6-(pyren-1-yl)fulvene]chromium(0)","","- C37 H22 Cr O3 -","- C37 H22 Cr O3 -","- C74 H44 Cr2 O6 -","2","1","RZ5242","Peloquin, Andrew J.; Smith, Madelyn B.; O'Connell, Bryce J.; Ghiassi, Kamran B.; Balaich, Gary J.; Iacono, Scott T.","Coordination complexes of chromium(0) with a series of 1,3-diphenyl-6-arylfulvenes","Acta Crystallographica Section E","2018","74","9","1190","1194","10.1107/S2056989018010794","","","0.71073","MoKα","","0.042","0.0362","","","0.0932","0.0984","","","","","","1.054","","","","has coordinates,has Fobs","209713","2020-10-21","18:00:00",""
"2242589","7.7292","0.001","7.9892","0.0009","11.2035","0.0013","108.3","0.007","92.553","0.007","101.499","0.008","639.36","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","Tebipenem","(2,2-Dimethylpropanoyloxy)methyl (4<i>R</i>,5<i>S</i>,6<i>S</i>)-3-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-\ 3-yl]sulfanyl}-6-[(1<i>R</i>)-1-hydroxyethyl]-4-methyl-7-oxo-1-\ azabicyclo[3.2.0]hept-2-ene-2-carboxylate","","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","- C22 H31 N3 O6 S2 -","1","1","EX2010","Tang, Chao; Cai, Li; Liu, Shuai; Zheng, Zhiwei; Li, Gen; Chen, Jianli; Sui, Qiang","Crystal structure of tebipenem pivoxil","Acta Crystallographica Section E","2018","74","9","1215","1217","10.1107/S2056989018010770","","","1.54178","CuKα","","0.0472","0.0415","","","0.1133","0.1154","","","","","","1.044","","","","has coordinates,has Fobs","209714","2020-10-21","18:00:00",""
"2242590","17.5394","0.0007","13.5094","0.0007","13.7913","0.0006","90","","117.006","0.003","90","","2911.5","0.2","162","2","162","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>fac</i>-Bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)","","- C32 H22 Fe N12 -","- C32 H22 Fe N12 -","- C128 H88 Fe4 N48 -","4","0.5","HB7760","Setifi, Zouaoui; Corfield, Peter W. R.; Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Kaddouri, Yassine","Crystal structure of <i>fac</i>-bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)","Acta Crystallographica Section E","2018","74","9","1227","1230","10.1107/S2056989018011143","","","0.71073","MoKα","","0.0498","0.0355","","","0.0789","0.0849","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","209715","2020-10-21","18:00:00",""
"2242591","13.9787","0.0009","21.5654","0.0012","11.6625","0.0008","90","","111.639","0.005","90","","3268","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-Methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","6-Methoxy-9-methyl-12-phenyl-8-oxa-10,11,13,15-tetraazatetracyclo[7.6.1.0^2,7^.0^10,14^]hexadeca-2(7),3,5,11,13-pentaene","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C152 H144 N32 O16 -","8","2","XU5932","Gumus, Mustafa Kemal; Kansiz, Sevgi; Dege, Necmi; Kalibabchuk, Valentina A.","Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-<i>c</i>][1,3,5]benzoxadiazocine","Acta Crystallographica Section E","2018","74","9","1211","1214","10.1107/S2056989018010848","","","0.71073","MoKα","","0.0912","0.0447","","","0.0927","0.104","","","","","","0.907","","","","has coordinates,has Fobs","209716","2020-10-21","18:00:00",""
"2242592","36.04","0.03","11.517","0.011","14.406","0.014","90","","95.258","0.013","90","","5954","10","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2'-bipyridine)chloridoruthenium(II)] bis(hexafluoridophosphate)","","- C44 H32 Cl2 F12 N10 O3 P2 Ru2 -","- C44 H32 Cl2 F12 N10 P2 Ru2 -","- C176 H128 Cl8 F48 N40 P8 Ru8 -","4","0.5","HB7761","Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.","Crystal structure and redox potentials of the tppz-bridged {RuCl(bpy)}^+^ dimer","Acta Crystallographica Section E","2018","74","9","1250","1253","10.1107/S2056989018011258","","","0.71073","MoKα","","0.1926","0.0778","","","0.1739","0.221","","","","","","0.921","","","","has coordinates,has Fobs","209859","2020-10-21","18:00:00",""
"2242593","11.6596","0.0004","14.5734","0.0004","15.7","0.0005","90","","104.635","0.002","90","","2581.19","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C26 H29 Cl2 N O6 S -","- C26 H29 Cl2 N O6 S -","- C104 H116 Cl8 N4 O24 S4 -","4","1","XU5934","Sribala, R.; Srinivasan, N.; Indumathi, S.; Krishnakumar, R. V.","Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro‒methyl exchange rule","Acta Crystallographica Section E","2018","74","9","1267","1271","10.1107/S2056989018011416","","","0.71073","MoKα","","0.0771","0.0465","","","0.1223","0.1433","","","","","","1.032","","","","has coordinates,has Fobs","209860","2020-10-21","18:00:00",""
"2242594","11.8641","0.0005","14.4765","0.0006","15.8654","0.0007","90","","104.96","0.002","90","","2632.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 1-(4-methylbenzyl)-4-(4-methylphenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C28 H35 N O6 S -","- C28 H35 N O6 S -","- C112 H140 N4 O24 S4 -","4","1","XU5934","Sribala, R.; Srinivasan, N.; Indumathi, S.; Krishnakumar, R. V.","Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro‒methyl exchange rule","Acta Crystallographica Section E","2018","74","9","1267","1271","10.1107/S2056989018011416","","","0.71073","MoKα","","0.0841","0.0512","","","0.1401","0.1632","","","","","","1.028","","","","has coordinates,has Fobs","209860","2020-10-21","18:00:00",""
"2242595","10.1806","0.0001","16.9578","0.0003","12.4534","0.0002","90","","96.9735","0.001","90","","2134.06","0.06","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(3,5-diisopropylpyrazol-1-yl)acetato]zinc(II)","","- C40 H62 N8 O4 Zn -","- C40 H62 N8 O4 Zn -","- C80 H124 N16 O8 Zn2 -","2","0.5","JJ2201","Elsberg, Josiah G.; Spiropulos, Nicholas G.; Colson, Adam C.; Brown, Eric C.","Crystal structure of a homoleptic zinc(II) complex based on bis(3,5-diisopropylpyrazol-1-yl)acetate","Acta Crystallographica Section E","2018","74","9","1259","1262","10.1107/S2056989018011246","","","0.71073","MoKα","","0.0541","0.0332","","","0.0697","0.0749","","","","","","1.031","","","","has coordinates,has Fobs","209861","2020-10-21","18:00:00",""
"2242596","9.0154","0.0018","7.6122","0.0015","17.138","0.003","90","","104.38","0.03","90","","1139.3","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(quinolin-8-ol)silver(I) 2-hydroxy-3,5-dinitrobenzoate","","- C25 H17 Ag N4 O9 -","- C25 H17 Ag N4 O9 -","- C50 H34 Ag2 N8 O18 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0263","0.023","","","0.0524","0.0534","","","","","","1.34","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242597","25.0809","0.0015","6.7251","0.0004","18.9145","0.001","90","","97.658","0.006","90","","3161.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II) bis(2-hydroxy-3,5-dinitrobenzoate)","","- C26 H22 N12 O14 Zn -","- C26 H22 N12 O14 Zn -","- C104 H88 N48 O56 Zn4 -","4","0.5","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.075","0.0357","","","0.0652","0.0753","","","","","","1.23","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242598","5.8673","0.0007","8.0991","0.0009","15.2437","0.0017","86.844","0.003","84.252","0.003","81.209","0.003","711.69","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","2-Amino-5-methylpyridinium 3,5-dinitrosalicylate","2-Amino-5-methylpyridinium 2-hydroxy-3,5-dinitrobenzoate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C26 H24 N8 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0596","0.0416","","","0.1031","0.1091","","","","","","2.06","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242599","10.0227","0.0005","10.5507","0.0005","12.5359","0.0006","81.858","0.001","71.888","0.001","70.009","0.001","1183.1","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl2 N8 O8 -","- C19 H18 Cl2 N8 O8 -","- C38 H36 Cl4 N16 O16 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0649","0.0559","","","0.1449","0.1473","","","","","","3.41","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242600","8.1183","0.0007","6.0636","0.0005","14.1453","0.0011","90","","91.904","0.001","90","","695.93","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,5-Dimethylpyrazolium 3,5-dinitrosalicylate","","- C12 H12 N4 O7 -","- C12 H12 N4 O7 -","- C24 H24 N8 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0664","0.0413","","","0.0803","0.0883","","","","","","1.16","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242601","6.6691","0.0003","11.3831","0.0004","12.29","0.0005","89.727","0.002","76.771","0.002","76.93","0.002","883.62","0.06","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","2-Isopropyl-6-methyl-4-oxo-3,4-dihydropyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate monohydrate","","- C15 H18 N4 O9 -","- C15 H18 N4 O9 -","- C30 H36 N8 O18 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0552","0.0378","","","0.0804","0.0855","","","","","","1.77","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242602","6.1537","0.0003","19.1541","0.0014","14.5527","0.0011","90","","98.343","0.006","90","","1697.2","0.2","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate","","- C16 H20 N4 O7 -","- C16 H19.998 N4 O7 -","- C64 H79.992 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0925","0.046","","","0.0806","0.0947","","","","","","1.33","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242603","14.5648","0.0003","12.9374","0.0003","16.1619","0.0003","90","","103.9","0.001","90","","2956.22","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cinnarizinium 3,5-dinitrosalicylate","4-(Diphenylmethyl)-1-(3-phenylprop-2-en-1-yl)piperazin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C33 H32 N4 O7 -","- C33 H32 N4 O7 -","- C132 H128 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0672","0.0542","","","0.1785","0.1898","","","","","","1.8","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242604","14.8002","0.0015","7.4029","0.0016","16.0091","0.0016","90","","96.395","0.008","90","","1743.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","3,5-Dinitrosalicylic acid‒phenazine (1/1)","3,5-Dinitrosalicylic acid‒phenazine (1/1)","","- C19 H12 N4 O7 -","- C19 H12 N4 O7 -","- C76 H48 N16 O28 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1521","0.0437","","","0.0681","0.0825","","","","","","1.08","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242605","11.757","0.002","18.297","0.004","13.223","0.003","90","","103.91","0.03","90","","2761.1","1.1","173.5","","173.5","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) 3,5-dinitrosalicylate","","- C31 H15 Ag N6 O11 -","- C31 H15 Ag N6 O11 -","- C124 H60 Ag4 N24 O44 -","4","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.1053","0.0622","","","0.1016","0.1181","","","","","","1.64","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242606","7.0109","0.0004","10.6617","0.0008","10.7454","0.0007","93.075","0.006","95.863","0.005","104.944","0.006","769.3","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2-carboxy-4,6-dinitrophenolate","","- C13 H15 N5 O7 -","- C13 H15 N5 O7 -","- C26 H30 N10 O14 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","1.54184","CuKα","","0.0478","0.0406","","","0.0951","0.1001","","","","","","1.64","","","","has coordinates","211179","2020-10-21","18:00:00",""
"2242607","8.5551","0.0001","10.5","0.0002","12.7576","0.0003","106.463","0.001","100.913","0.001","108.272","0.001","993.72","0.03","296","2","296","","","","","","","","","5","P -1","-P 1","2","4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium 3,5-dinitrosalicylate","4-{[(5-Methylisoxazol-3-yl)amino]sulfonyl}anilinium 2-hydroxy-3,5-dinitrobenzoate","","- C17 H15 N5 O10 S -","- C17 H15 N5 O10 S -","- C34 H30 N10 O20 S2 -","2","1","SU5452","Fábry, Jan","A resonance-assisted intramolecular hydrogen bond in compounds containing 2-hydroxy-3,5-dinitrobenzoic acid and its various deprotonated forms: redetermination of several related structures","Acta Crystallographica Section E","2018","74","9","1344","1357","10.1107/S2056989018011544","","","0.71073","MoKα","","0.0693","0.0443","","","0.0984","0.1036","","","","","","1.95","","","","has coordinates","210130","2020-10-21","18:00:00",""
"2242608","6.5296","0.0005","15.7145","0.0013","9.555","0.0007","90","","93.327","0.004","90","","978.78","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","1.54178","CuKα","","0.0469","0.0421","","","0.1112","0.1145","","","","","","1.067","","","","has coordinates,has Fobs","210132","2020-10-21","18:00:00",""
"2242609","7.8484","0.0002","10.8964","0.0002","11.8669","0.0003","90","","90","","90","","1014.85","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","1.54178","CuKα","","0.0364","0.0357","","","0.0939","0.0948","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","210132","2020-10-21","18:00:00",""
"2242610","8.5293","0.0006","8.6264","0.0007","13.3589","0.001","90","","90","","90","","982.91","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","0.71073","MoKα","","0.0337","0.0306","","","0.0829","0.0844","","","","","","1.126","","","","has coordinates,has Fobs","210132","2020-10-21","18:00:00",""
"2242611","10.3198","0.0002","10.3198","0.0002","7.3684","0.0001","90","","90","","90","","784.72","0.02","301","2","301","2","","","","","","","","3","P 4/n m m","-P 4a 2a","129","titanium bismuth suboxide","Titanium bismuth oxide (8/9/0.25)","","- Bi9 O0.25 Ti8 -","- Bi9 O0.25 Ti8 -","- Bi18 O0.5 Ti16 -","2","","","Yamane, Hisanori; Hiraka, Keita","Crystal structure of Ti~8~Bi~9~O~0.25~ containing interstitial oxygen atoms","Acta Crystallographica Section E","2018","74","9","1366","1368","10.1107/S205698901801188X","","","0.71073","MoKα","","0.0208","0.0201","","","0.0439","0.0441","","","","","","1.361","","","","has coordinates,has Fobs","210133","2020-10-21","18:00:00",""
"2242612","5.3695","0.0004","9.5278","0.0008","10.2972","0.0009","96.814","0.007","93.432","0.007","102.977","0.007","507.68","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","C-propargyl lawsone","2-Hydroxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C26 H16 O6 -","2","1","IS5498","Raquel Geralda, Isidório; Flaviano Melo, Ottoni; Ricardo José, Alves; Nivaldo Lúcio, Speziali","Crystal structure of 2-hydroxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione","Acta Crystallographica Section E","2018","74","9","1319","1321","10.1107/S2056989018011647","","","0.71073","MoKα","","0.089","0.0512","","","0.1251","0.1472","","","","","","1.047","","","","has coordinates","210134","2020-10-21","18:00:00",""
"2242613","11.9796","0.0013","12.6935","0.0013","6.5239","0.0007","90","","114.555","0.003","90","","902.33","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sodium magnesium indium(III) tris(orthophosphate)","","- In1.15 Mg1.85 Na1.85 O12 P3 -","- In1.15 Mg1.85 Na1.848 O12 P3 -","- In4.6 Mg7.4 Na7.392 O48 P12 -","4","0.5","WM5457","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; Mercier, Cyrille; Follet, Claudine; El Ammari, Lahcen","Na~1.85~Mg~1.85~In~1.15~(PO~4~)~3~ and Ag~1.69~Mg~1.69~In~1.31~(PO~4~)~3~ with alluaudite-type structures","Acta Crystallographica Section E","2018","74","9","1358","1361","10.1107/S2056989018011799","","","0.71073","MoKα","","0.0252","0.0243","","","0.0578","0.0581","","","","","","1.293","","","","has coordinates,has Fobs","210135","2020-10-21","18:00:00",""
"2242614","12.0273","0.0003","12.812","0.0003","6.5061","0.0002","90","","114.519","0.001","90","","912.14","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Silver magnesium indium(III) tris(orthophosphate)","","- Ag1.69 In1.31 Mg1.69 O12 P3 -","- Ag1.6988 In1.314 Mg1.688 O12 P3 -","- Ag6.7952 In5.256 Mg6.752 O48 P12 -","4","0.5","WM5457","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; Mercier, Cyrille; Follet, Claudine; El Ammari, Lahcen","Na~1.85~Mg~1.85~In~1.15~(PO~4~)~3~ and Ag~1.69~Mg~1.69~In~1.31~(PO~4~)~3~ with alluaudite-type structures","Acta Crystallographica Section E","2018","74","9","1358","1361","10.1107/S2056989018011799","","","0.71073","MoKα","","0.0221","0.0219","","","0.0525","0.0525","","","","","","1.251","","","","has coordinates,has Fobs","210135","2020-10-21","18:00:00",""
"2242615","4.8744","0.0002","5.0042","0.0002","21.0759","0.001","90","","93.867","0.004","90","","512.92","0.04","140","1","140","1","","","","","","","","5","P 1 21 1","P 2yb","4","Sodium (1<i>S</i>)-<i>D</i>-mannit-1-ylsulfonate","Sodium (1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1,2,3,4,5,6-\ hexahydroxyhexane-1-sulfonate","","- C6 H13 Na O9 S -","- C6 H13 Na O9 S -","- C12 H26 Na2 O18 S2 -","2","1","HB7768","Haines, Alan H.; Hughes, David L.","Crystal structure of sodium (1<i>S</i>)-<small>D</small>-mannit-1-ylsulfonate","Acta Crystallographica Section E","2018","74","9","1314","1318","10.1107/S2056989018011556","","","0.71073","Mo-Kα","","0.0401","0.0391","","","0.0924","0.0928","","","","","","1.163","","","","has coordinates,has Fobs","210136","2020-10-21","18:00:00",""
"2242616","7.8428","0.0003","8.0256","0.0003","9.3965","0.0003","109.915","0.001","92.832","0.001","104.493","0.001","532.46","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Trimethyl citrate","Trimethyl 2-hydroxypropane-1,2,3-tricarboxylate","","- C9 H14 O7 -","- C9 H14 O7 -","- C18 H28 O14 -","2","1","SJ5563","Morjan, Rami Y.; El-Kurdi, Said M.; Azarah, Jannat N.; Eleiwa, Neda A.; Abu-Teim, Omar S.; Awadallah, Adel M.; Raftery, James; Gardiner, John M.","Inversion dimers dominate the crystal packing in the structure of trimethyl citrate (trimethyl 2-hydroxypropane-1,2,3-tricarboxylate)","Acta Crystallographica Section E","2018","74","9","1362","1365","10.1107/S2056989018011222","","","1.54178","CuKα","","0.0401","0.0383","","","0.1034","0.1099","","","","","","1.081","","","","has coordinates,has Fobs","210137","2020-10-21","18:00:00",""
"2242617","10.6894","0.0006","11.1623","0.0006","14.0025","0.0007","90","","90","","90","","1670.75","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-[Bis(2-chloroethyl)amino]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-one","","- C14 H21 Cl2 N2 O2 P -","- C14 H21 Cl2 N2 O2 P -","- C56 H84 Cl8 N8 O8 P4 -","4","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.0282","0.0243","","","0.0629","0.0644","","","","","","1.065","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242618","12.1044","0.0017","5.3162","0.0008","12.8933","0.0017","90","","115.409","0.004","90","","749.42","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-[Bis(2-chloroethyl)amino]-4-isobutyl-1,3,2-oxazaphospholidin-2-one","","- C10 H21 Cl2 N2 O2 P -","- C10 H21 Cl2 N2 O2 P -","- C20 H42 Cl4 N4 O4 P2 -","2","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.081","0.048","","","0.0873","0.0953","","","","","","1.02","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242619","12.1287","0.0005","10.553","0.0004","17.5838","0.0008","90","","104.435","0.004","90","","2179.57","0.16","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(Triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione tetrahydrofuran monosolvate","","- C26 H25 O4 P -","- C26 H25 O4 P -","- C104 H100 O16 P4 -","4","1","RZ5234","Zagidullin, Almaz; Islamov, Daut; Oshchepkova, Elena; Lonnecke, Peter; Miluykov, Vasili","Crystal structure of 3-(triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione tetrahydrofuran monosolvate","Acta Crystallographica Section E","2018","74","9","1336","1338","10.1107/S2056989018011775","","","0.71073","MoKα","","0.0995","0.0618","","","0.1145","0.1301","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","210139","2020-10-21","18:00:00",""
"2242620","11.1962","0.0008","13.5321","0.001","15.5615","0.0008","90","","107.705","0.006","90","","2246","0.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[μ-(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato-κ^2^<i>O</i>:<i>O</i>]bis[dichloridocopper(II)]","","- C44 H52 Cl4 Cu2 N4 O2 -","- C44 H52 Cl4 Cu2 N4 O2 -","- C88 H104 Cl8 Cu4 N8 O4 -","2","0.5","PJ2057","Dodds, Christopher A.; Kennedy, Alan R.","Crystal structure of the [(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato]copper(II) chloride dimer: insertion of formaldehyde into a copper‒carbene bond","Acta Crystallographica Section E","2018","74","9","1369","1372","10.1107/S205698901801201X","","","0.71073","MoKα","","0.1326","0.0617","","","0.1149","0.1441","","","","","","1.048","","","","has coordinates,has Fobs","210289","2020-10-21","18:00:00",""
"2242621","14.7668","0.0002","15.5936","0.0002","17.227","0.0012","111.053","0.008","91.616","0.007","92.898","0.007","3692.7","0.3","123","2","123.15","","","","","","","","","4","P 1","P 1","1","(<i>S</i>)-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilylglycerol","3-[(<i>tert</i>-Butyldiphenylsilyl)oxy]propane-1,2-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","ZL2734","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71075","MoKα","","0.0403","0.0373","","","0.0951","0.0969","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242622","14.7922","0.001","15.6306","0.001","17.2048","0.0011","110.901","0.002","91.705","0.002","92.851","0.002","3706.8","0.4","173","2","173.15","","","","","","","","","4","P 1","P 1","1","(S)-1-O-t-butyldiphenylsilylglycerol","(S)-1-O-t-butyldiphenylsilylpropane-2,3-diol","","- C19 H26 O3 Si -","- C19 H26 O3 Si -","- C152 H208 O24 Si8 -","8","8","","Doboszewski, Bogdan; Nazarenko, Alexander Y.; Nemykin, Victor N.; e Silva, Maria Joselice","Crystal structure of (<i>S</i>)-1-<i>O</i>-<i>tert</i>-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell","Acta Crystallographica Section E","2018","74","9","1373","1379","10.1107/S2056989018012021","","","0.71073","MoKα","","0.0604","0.0457","","","0.1095","0.1183","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","210290","2020-10-21","18:00:00",""
"2242623","30.797","0.003","13.8527","0.0012","21.135","0.003","90","","132.857","0.001","90","","6609.7","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate","","- C60 H50 Br8 Cl2 N10 O12 Zn3 -","- C60 H50 Br8 Cl2 N10 O12 Zn3 -","- C240 H200 Br32 Cl8 N40 O48 Zn12 -","4","0.5","JJ2202","Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.","Crystal structure of tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate","Acta Crystallographica Section E","2018","74","9","1380","1383","10.1107/S2056989018012100","","","0.71073","MoKα","","0.0402","0.0283","","","0.0625","0.0664","","","","","","1.014","","","","has coordinates,has Fobs","210291","2020-10-21","18:00:00",""
"2242624","2.4473","0.001","3.4688","0.0014","3.5144","0.0013","105.22","0.04","110.6","0.04","91.39","0.03","26.72","0.02","293","","293","","","","","","","","","2","P -1","-P 1","2","","Iron tetranitride","","- Fe N4 -","- Fe N4 -","- Fe N4 -","1","0.5","WM5459","Bykov, Maxim; Khandarkhaeva, Saiana; Fedotenko, Timofey; Sedmak, Pavel; Dubrovinskaia, Natalia; Dubrovinsky, Leonid","Synthesis of FeN~4~ at 180GPa and its crystal structure from a submicron-sized grain","Acta Crystallographica Section E","2018","74","10","1392","1395","10.1107/S2056989018012161","","","0.30996","synchrotron","","0.0413","0.0403","","","0.0813","0.0815","","","","","","1.183","","","","has coordinates,has Fobs","210555","2020-10-21","18:00:00",""
"2242625","14.572","0.003","8.7989","0.0018","16.982","0.003","90","","111.92","0.03","90","","2020","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-Oxothieno[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","YK2117","Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids","Acta Crystallographica Section E","2018","74","10","1400","1404","10.1107/S2056989018012239","","","0.9626","synchrotron","","0.1192","0.082","","","0.1923","0.2444","","","","","","1.038","","","","has coordinates,has Fobs","210556","2020-10-21","18:00:00",""
"2242626","8.1851","0.0016","11.025","0.002","11.795","0.002","99.14","0.03","92.51","0.03","107.99","0.03","994.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>S</i>R)-5-Oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C48 H42 N2 O8 -","2","1","YK2117","Toze, Flavien A. A.; Nadirova, Maryana A.; Mertsalov, Dmitriy F.; Sokolova, Julya S.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.","IMDAV reaction between phenylmaleic anhydride and thienyl(furyl)allylamines: synthesis and molecular structure of (3a<i>SR</i>,4<i>RS</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxothieno- and (3a<i>SR</i>,4<i>SR</i>,4a<i>RS</i>,7a<i>SR</i>)-5-oxofuro[2,3-<i>f</i>]isoindole-4-carboxylic acids","Acta Crystallographica Section E","2018","74","10","1400","1404","10.1107/S2056989018012239","","","0.81182","synchrotron","","0.0502","0.0475","","","0.1263","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","210556","2020-10-21","18:00:00",""
"2242627","10.5557","0.0007","35.308","0.002","8.5951","0.0005","90","","99.591","0.002","90","","3158.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^4^-Cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate","","- C37 H48 N4 Ni O -","- C37 H48 N4 Ni O -","- C148 H192 N16 Ni4 O4 -","4","1","ZL2737","Yamamoto, Carlos D.; Zhang, Zijie; Stieber, Sabine Chantal E.","Crystal structure of (η^4^-cyclooctadiene)(3,3'-dimesityl-1,1'-methylenediimidazoline-2,2'-diylidene)nickel(0) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2018","74","10","1396","1399","10.1107/S2056989018012252","","","0.71073","MoKα","","0.0942","0.0478","","","0.0843","0.1037","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","210557","2020-10-21","18:00:00",""
"2242628","9.6834","0.0003","18.239","0.0005","12.2073","0.0003","90","","105.446","0.0014","90","","2078.12","0.1","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C92 H120 N8 O12 -","4","1","DS2251","Steiger, Scott A.; Li, Chun; Natale, Nicholas R.","Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2018","74","10","1417","1420","10.1107/S2056989018011982","","","0.71073","MoKα","","0.0637","0.0492","","","0.1293","0.1421","","","","","","1.021","","","","has coordinates,has Fobs","210870","2020-10-21","18:00:00",""
"2242629","10.5172","0.0003","7.421","0.0002","23.5592","0.0005","90","","93.861","0.002","90","","1834.58","0.08","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","<i>catena</i>-Poly[bis(2-amino-3-hydroxypyridinium) [zinc-di-μ-phosphonato] dihydrate]","","- C10 H20 N4 O10 P2 Zn -","- C10 H20 N4 O10 P2 Zn -","- C40 H80 N16 O40 P8 Zn4 -","4","2","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0562","0.0457","","","0.1108","0.1211","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","210871","2020-10-21","18:00:00",""
"2242630","8.0419","0.0002","13.5008","0.0004","8.1307","0.0002","90","","90","","90","","882.77","0.04","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","Poly[(benzene-1,2-diamine)(μ~5~-phosphonato)zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","CQ2027","Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks","Acta Crystallographica Section E","2018","74","10","1411","1416","10.1107/S2056989018012343","","","0.71073","MoKα","","0.0229","0.0218","","","0.0509","0.0513","","","","","","1.035","","","","has coordinates,has Fobs","210871","2020-10-21","18:00:00",""
"2242631","19.936","0.007","10.603","0.004","18.692","0.007","90","","105.925","0.004","90","","3800","2","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[manganese(II)-μ~3~-acetato-di-μ~2~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-manganese(II)-μ~3~-acetato-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato]","","- C26 H38 Mn4 N2 O20 -","- C26 H38 Mn4 N2 O20 -","- C104 H152 Mn16 N8 O80 -","4","0.5","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0376","0.032","","","0.0789","0.0828","","","","","","1.077","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242632","9.7704","0.0003","10.5882","0.0007","11.472","0.0002","65.76","0.02","83.84","0.02","65.512","0.015","982","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[aquamanganese(II)]-μ~3~-acetato-μ~2~-acetato-μ-(2-methylpyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato-manganese(II)-di-μ~2~-acetato-μ~3~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(2-methylpyridine <i>N</i>-oxide)]","","- C28 H42 Mn4 N2 O20 -","- C28 H42 Mn4 N2 O20 -","- C28 H42 Mn4 N2 O20 -","1","0.5","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0552","0.0406","","","0.089","0.1014","","","","","","1.063","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242633","11.1","0.003","7.334","0.003","15.9808","0.0004","90","","96.5","0.011","90","","1292.6","0.6","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[manganese(II)-di-μ~2~-acetato-μ-(4-methylpyridine <i>N</i>-oxide)] monohydrate]","","- C10 H15 Mn N O6 -","- C10 H15 Mn N O6 -","- C40 H60 Mn4 N4 O24 -","4","1","ZL2728","Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford","Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate","Acta Crystallographica Section E","2018","74","10","1405","1410","10.1107/S205698901801232X","","","0.71073","MoKα","","0.0636","0.0451","","","0.0931","0.1051","","","","","","1.073","","","","has coordinates,has Fobs","210872","2020-10-21","18:00:00",""
"2242634","31.872","0.006","12.64","0.002","16.881","0.003","90","","109.99","0.002","90","","6391","1.9","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","","- C56 H100 Mn O16 P2 -","- C56 H100 Mn O16 P2 -","- C224 H400 Mn4 O64 P8 -","4","1","PJ2055","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.; Dmitrienko, Artem O.; Lyssenko, Konstantin A.","[Bis(2,6-diisopropylphenyl) phosphato-κ<i>O</i>]pentakis(methanol-κ<i>O</i>)manganese bis(2,6-diisopropylphenyl) phosphate methanol trisolvate","Acta Crystallographica Section E","2018","74","10","1433","1438","10.1107/S2056989018012859","","","0.71073","MoKα","","0.0847","0.0721","","","0.1869","0.1974","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","210973","2020-10-21","18:00:00",""
"2242635","11.052","0.008","4.565","0.004","13.541","0.01","90","","97.997","0.011","90","","676.5","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","(<i>E</i>)-3-[(2,6-Dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole","","- C16 H16 N4 -","- C16 H16 N4 -","- C32 H32 N8 -","2","1","EB2011","Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of (<i>E</i>)-3-[(2,6-dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole","Acta Crystallographica Section E","2018","74","10","1421","1423","10.1107/S2056989018012483","","","0.71073","MoKα","","0.0863","0.0674","","","0.1642","0.1795","","","","","","1.01","","","","has coordinates","210974","2020-10-21","18:00:00",""
"2242636","12.9197","0.0014","12.7282","0.0013","10.9016","0.0012","90","","105.212","0.002","90","","1729.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C23 H15 N O3 -","- C23 H15 N O3 -","- C92 H60 N4 O12 -","4","1","XU5939","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones","Acta Crystallographica Section E","2018","74","10","1427","1432","10.1107/S2056989018012641","","","0.71073","MoKα","","0.0789","0.0508","","","0.1181","0.1356","","","","","","1.029","","","","has coordinates,has Fobs","210975","2020-10-21","18:00:00",""
"2242637","14.8004","0.0012","11.3095","0.0009","11.5139","0.0009","90","","111.361","0.0013","90","","1794.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(4-iodophenyl)prop-2-en-1-one","","- C23 H15 I O -","- C23 H15 I O -","- C92 H60 I4 O4 -","4","1","XU5939","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones","Acta Crystallographica Section E","2018","74","10","1427","1432","10.1107/S2056989018012641","","","0.71073","MoKα","","0.0514","0.0343","","","0.0862","0.0972","","","","","","1.019","","","","has coordinates,has Fobs","210975","2020-10-21","18:00:00",""
"2242638","5.251","0.002","6.317","0.002","12.999","0.005","90","","91.643","0.004","90","","431","0.3","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","3,6-Dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","VM2211","Yamazaki, Shu; Nishiyama, Kazuki; Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure of 3,6-dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde","Acta Crystallographica Section E","2018","74","10","1424","1426","10.1107/S2056989018012495","","","0.71073","MoKα","","0.0294","0.0289","","","0.0813","0.0821","","","","","","1.06","","","","has coordinates,has Fobs","210976","2020-10-21","18:00:00",""
"2242639","15.1582","0.0012","12.353","0.0009","24.2353","0.0017","90","","106.374","0.003","90","","4354","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","18043zz","Bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>N</i>,<i>C</i>^1^}(picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III)","","- C46 H36 F4 Ir N3 O2 -","- C46 H36 F4 Ir N3 O2 -","- C184 H144 F16 Ir4 N12 O8 -","4","1","LH5880","Sanner, Robert D.; Young, Jr, Victor G.","The crystal structure of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl}(picolinato)iridium(III) and its 4-<i>tert</i>-butylpyridin-2-yl analogue","Acta Crystallographica Section E","2018","74","10","1467","1470","10.1107/S2056989018012409","","","0.71073","MoKα","","0.04","0.0303","","","0.06","0.0633","","","","","","1.099","","","","has coordinates,has Fobs","211110","2020-10-21","18:00:00",""
"2242640","14.7519","0.0007","14.4121","0.0007","18.5425","0.0008","90","","104.776","0.0019","90","","3811.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","18062zz","Bis[2-(4-<i>tert</i>-butylpyridin-2-yl)-3,5-difluorophenyl-κ^2^<i>N</i>,<i>C</i>^1^](picolinato-κ^2^<i>N</i>,<i>O</i>)iridium(III)","","- C36 H32 F4 Ir N3 O2 -","- C36 H32 F4 Ir N3 O2 -","- C144 H128 F16 Ir4 N12 O8 -","4","1","","Sanner, Robert D.; Young, Jr, Victor G.","The crystal structure of bis{3,5-difluoro-2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl}(picolinato)iridium(III) and its 4-<i>tert</i>-butylpyridin-2-yl analogue","Acta Crystallographica Section E","2018","74","10","1467","1470","10.1107/S2056989018012409","","","0.71073","MoKα","","0.0405","0.0252","","","0.0526","0.0574","","","","","","1.023","","","","has coordinates,has Fobs","211110","2020-10-21","18:00:00",""
"2242641","10.831","0.002","4.402","0.0005","28.457","0.005","90","","105.254","0.006","90","","1309","0.4","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3,5-Dichloro-2-hydroxyphenyl)-3-(5-methylfuran-\ 2-yl)prop-2-en-1-one","","- C14 H10 Cl2 O3 -","- C14 H10 Cl2 O3 -","- C56 H40 Cl8 O12 -","4","1","QM2127","Sreenatha, N. R.; Lakshminarayana, B. N.; Ganesha, D. P.; Gnanendra, C. R.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","10","1451","1454","10.1107/S2056989018012173","","","0.71073","MoKα","","0.0782","0.0612","","","0.182","0.2149","","","","","","1.087","","","","has coordinates,has Fobs","211111","2020-10-21","18:00:00",""
"2242642","9.625","0.001","9.673","0.001","18.5","0.002","95.37","0.01","93.38","0.01","92.77","0.01","1709.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C68 H64 N16 O24 -","4","2","ZL2738","Salian, Akshatha R.; Foro, Sabine; Kumar, S. Madan; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of <i>N</i>,<i>N</i>'-bis(2-nitrophenyl)glutaramide","Acta Crystallographica Section E","2018","74","10","1455","1459","10.1107/S2056989018013075","","","0.71073","MoKα","","0.1056","0.0581","","","0.1311","0.1577","","","","","","1.05","","","","has coordinates,has Fobs","211112","2020-10-21","18:00:00",""
"2242643","13.5195","0.0003","13.0697","0.0003","42.9248","0.0009","90","","92.475","0.002","90","","7577.6","0.3","99.99","0.16","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-11'-(1-Acetyl-1<i>H</i>-indazol-3-yl)-11',11a'-dihydro-10'<i>H</i>,17'<i>H</i>-spiro[indene-2,18'-[5a,16b]methanotriindeno[1,2-<i>b</i>:1',2'-<i>d</i>:2'',1''-<i>g</i>]oxocine]-1,3,10',12',17'(10a'<i>H</i>)-pentaone acetonitrile 1.5-solvate","","- C49 H30.5 N3.5 O7 -","- C49 H30.5 N3.5 O7 -","- C392 H244 N28 O56 -","8","2","ZQ2241","Baranov, Mark; Vainer, Radion; Sigalov, Mark V.","Crystal structure determination of <i>rac</i>-11'-(1-acetyl-1<i>H</i>-indazol-3-yl)-11',11<i>a</i>'-dihydro-10'<i>H</i>,17'<i>H</i>-spiro[indene-2,18'-[5a,16<i>b</i>]methanotriindeno[1,2-<i>b</i>:1',2'-<i>d</i>:2'',1''-<i>g</i>]oxocine]-1,3,10',12',17'(10<i>a</i>'<i>H</i>)-pentaone acetonitrile 1.5-solvate","Acta Crystallographica Section E","2018","74","10","1444","1447","10.1107/S2056989018011763","","","0.71073","MoKα","","0.0574","0.0471","","","0.1167","0.1221","","","","","","1.028","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2242644","11.1559","0.0003","3.9258","0.0001","21.6293","0.0006","90","","90","","90","","947.27","0.04","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(1<i>H</i>-Pyrrol-2-yl)-1-(thiophen-2-yl)propanone","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","TX2008","Gibbons, Dáire; Emandi, Ganapathi; Senge, Mathias O.","Crystal structure and synthesis of 3-(1<i>H</i>-pyrrol-2-yl)-1-(thiophen-2-yl)propanone","Acta Crystallographica Section E","2018","74","10","1463","1466","10.1107/S2056989018012331","","x-ray","0.71073","MoKα","","0.0346","0.0321","","","0.0802","0.0821","","","","","","1.059","","","","has coordinates,has Fobs","211114","2020-10-21","18:00:00",""
"2242645","7.3925","0.0004","6.2777","0.0003","18.6065","0.0009","90","","96.243","0.007","90","","858.37","0.08","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline","","- C9 H8 F3 N -","- C9 H8 F3 N -","- C36 H32 F12 N4 -","4","1","IS5499","Kubono, Koji; Tani, Keita; Omote, Masaaki; Ogawa, Futa; Matsumoto, Taisuke","Crystal Structure of (<i>E</i>)-2-(3,3,3-trifluoroprop-1-en-1-yl)aniline","Acta Crystallographica Section E","2018","74","10","1448","1450","10.1107/S2056989018012756","","","1.54187","CuKα","","0.0795","0.0612","","","0.1614","0.1754","","","","","","1.033","","","","has coordinates,has Fobs","211115","2020-10-21","18:00:00",""
"2242646","13.4168","0.0006","6.607","0.0003","20.5831","0.0009","90","","93.032","0.001","90","","1822.03","0.14","100","","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[3-(<i>tert</i>-Butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","","- C18 H27 N3 O S -","- C18 H27 N3 O S -","- C72 H108 N12 O4 S4 -","4","1","LD2145","Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook; Razali, Mohd. R.","Crystal structure of (<i>E</i>)-2-[3-(<i>tert</i>-butyl)-2-hydroxybenzylidene]-<i>N</i>-cyclohexylhydrazine-1-carbothioamide","Acta Crystallographica Section E","2018","74","10","1460","1462","10.1107/S2056989018013129","","","0.71073","MoKα","","0.035","0.0316","","","0.082","0.0856","","","","","","1.039","","","","has coordinates,has Fobs","211116","2020-10-21","18:00:00",""
"2242647","5.8188","0.0009","10.4579","0.0016","17.468","0.003","99.186","0.008","99.112","0.008","99.95","0.008","1014.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-2,3,5,6,2',3',5',6'-Octafluoro-4,4'-azinodibenzoic acid ethanol disolvate","","- C18 H14 F8 N2 O6 -","- C18 H14 F8 N2 O6 -","- C36 H28 F16 N4 O12 -","2","1","WM5460","Elkin, Igor; Maris, Thierry; Hildgen, Patrice; Barrett, Christopher J.","Crystal structures of the solvent-free and ethanol disolvate forms of 4,4'-(diazenediyl)bis(2,3,5,6-tetrafluorobenzoic acid) exemplifying self-stabilized azobenzene <i>cis</i>-configurations","Acta Crystallographica Section E","2018","74","10","1486","1490","10.1107/S2056989018012781","","x-ray","1.34139","GaKα","","0.1159","0.093","","","0.2654","0.2884","","","","","","1.067","","","","has coordinates,has Fobs","211171","2020-10-21","18:00:00",""
"2242648","21.7297","0.0016","6.5797","0.0005","10.2247","0.0008","90","","100.058","0.004","90","","1439.41","0.19","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>cis</i>-2,3,5,6,2',3',5',6'-Octafluoro-4,4'-azinodibenzoic acid","","- C14 H2 F8 N2 O4 -","- C14 H2 F8 N2 O4 -","- C56 H8 F32 N8 O16 -","4","0.5","WM5460","Elkin, Igor; Maris, Thierry; Hildgen, Patrice; Barrett, Christopher J.","Crystal structures of the solvent-free and ethanol disolvate forms of 4,4'-(diazenediyl)bis(2,3,5,6-tetrafluorobenzoic acid) exemplifying self-stabilized azobenzene <i>cis</i>-configurations","Acta Crystallographica Section E","2018","74","10","1486","1490","10.1107/S2056989018012781","","x-ray","1.34139","GaKα","","0.0679","0.0568","","","0.1574","0.1712","","","","","","1.061","","","","has coordinates,has Fobs","211171","2020-10-21","18:00:00",""
"2242649","6.5507","0.0002","7.2523","0.0002","15.5478","0.0004","90","","96.737","0.003","90","","733.54","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxy-4-methylbenzaldehyde oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0341","0.0322","","","0.098","0.0997","","","","","","1.084","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242650","3.7241","0.0001","8.6902","0.0002","20.757","0.0005","90","","92.501","0.002","90","","671.12","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dihydroxybenzaldehyde oxime","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0409","0.0397","","","0.0915","0.0923","","","","","","0.861","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242651","9.3591","0.0013","6.2634","0.0007","13.626","0.0002","90","","108.636","0.016","90","","756.87","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-4-methoxybenzaldehyde oxime","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","QM2128","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James; Low, John Nicolson","Different classical hydrogen-bonding patterns in three salicylaldoxime derivatives, 2-HO-4-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = Me, OH and MeO)","Acta Crystallographica Section E","2018","74","10","1480","1485","10.1107/S2056989018013361","","x-ray","0.71075","MoKα","","0.0652","0.049","","","0.1447","0.1575","","","","","","1.005","","","","has coordinates,has Fobs","211172","2020-10-21","18:00:00",""
"2242652","31.4629","0.0012","20.2692","0.0007","15.3703","0.0011","90","","91.275","0.006","90","","9799.6","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(1,4-Dihydroxy)-2,3,4,5-(1,4-dioctyloxy)pillar[5]arene 1,2-dichloroethane solvent","","- C101 H162 Cl2 O10 -","- C101 H162 Cl2 O10 -","- C404 H648 Cl8 O40 -","4","0.5","DX2009","Al-Azemi, Talal F.; Vinodh, Mickey; Mohamod, Abdirahman A.; Alipour, Fatemeh H.","Encapsulated dichloroethane-mediated interlocked supramolecular polymeric assembly of A1/A2-dihydroxy-octyloxy pillar[5]arene 1,2-dichloroethane monosolvate","Acta Crystallographica Section E","2018","74","10","1471","1474","10.1107/S2056989018013415","","","0.71075","MoKα","","0.0698","0.0485","","","0.126","0.1366","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","211173","2020-10-21","18:00:00",""
"2242653","9.4897","0.0002","17.2533","0.0004","21.0921","0.0005","90","","90.4825","0.0013","90","","3453.26","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene","","- C38 H42 N4 O4 -","- C38 H42 N4 O4 -","- C152 H168 N16 O16 -","4","1","","Park, Ki-Min; Moon, Suk-Hee; Kang, Youngjin","Crystal structure and Hirshfeld surface analysis of 1,2-bis(2',6'-diisopropoxy-[2,3'-bipyridin]-6-yl)benzene","Acta Crystallographica Section E","2018","74","10","1475","1479","10.1107/S2056989018013002","","","0.71073","MoKα","","0.0614","0.0481","","","0.1192","0.1297","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211174","2020-10-21","18:00:00",""
"2242654","7.08","0.002","13.017","0.004","12.093","0.003","90","","98.289","0.006","90","","1102.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-3,3'-(1,4-Phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","","- C26 H24 N2 O2 S2 -","- C26 H24 N2 O2 S2 -","- C52 H48 N4 O4 S4 -","2","0.5","HB7772","Yennawar, Hemant P.; Moyer, Quentin J.; Silverberg, Lee J.","Crystal structure of <i>meso</i>-3,3'-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","Acta Crystallographica Section E","2018","74","10","1497","1499","10.1107/S2056989018013397","","","0.71073","MoKα","","0.0761","0.056","","","0.138","0.1485","","","","","","1.018","","","","has coordinates,has Fobs","211228","2020-10-21","18:00:00",""
"2242655","8.542","0.002","9.5","0.003","11.521","0.003","100.315","0.006","98.456","0.006","103.336","0.006","877.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(3<i>H</i>-indol-2-yl)prop-2-en-1-one","","- C25 H17 N O -","- C25 H17 N O -","- C50 H34 N2 O2 -","2","1","HB7770","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","10","1491","1496","10.1107/S2056989018013087","","","0.71073","MoKα","","0.1505","0.061","","","0.1397","0.1773","","","","","","1.009","","","","has coordinates,has Fobs","211229","2020-10-21","18:00:00",""
"2242656","12.6997","0.0007","11.8029","0.0007","18.3997","0.0009","90","","127.901","0.003","90","","2176.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(dimethylamino)naphthalen-1-yl]prop-2-en-1-one","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","HB7770","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structures, DFT studies and UV‒visible absorption spectra of two anthracenyl chalcone derivatives","Acta Crystallographica Section E","2018","74","10","1491","1496","10.1107/S2056989018013087","","","0.71073","MoKα","","0.1431","0.075","","","0.173","0.2219","","","","","","0.967","","","","has coordinates,has Fobs","211229","2020-10-21","18:00:00",""
"2242657","7.0094","0.0003","7.575","0.0003","10.6149","0.0005","70.945","0.004","78.748","0.004","89.901","0.004","521.32","0.04","120","1","120","","","","","","","","","5","P -1","-P 1","2","Nicotinamide‒telluric acid (1/1)","Pyridine-3-carboxamide‒telluric acid (1/1)","","- C6 H12 N2 O7 Te -","- C6 H12 N2 O7 Te -","- C12 H24 N4 O14 Te2 -","2","1","EB2012","Fábry, Jan","Pyridine-3-carboxamide‒telluric acid (1/1)","Acta Crystallographica Section E","2018","74","10","1521","1525","10.1107/S2056989018013579","","x-ray","0.71073","MoKα","","0.0135","0.0122","","","0.031","0.0317","","","","","","1.084","","","","has coordinates,has Fobs","211230","2020-10-21","18:00:00",""
"2242658","15.6963","0.0014","5.4121","0.0004","18.6224","0.0016","90","","119.609","0.006","90","","1375.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","RZ5241","Balasubramani, Kasthuri; Premkumar, Ganesan; Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Swu, Toka","Crystal structure, Hirshfeld surface analysis and HOMO‒LUMO analysis of (<i>E</i>)-4-bromo-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2018","74","10","1500","1503","10.1107/S2056989018013373","","","0.71073","MoKα","","0.0521","0.0321","","","0.0662","0.0732","","","","","","1.016","","","","has coordinates,has Fobs","211231","2020-10-21","18:00:00",""
"2242659","6.934","0.0004","12.1198","0.0007","19.2128","0.0011","99.859","0.005","90.647","0.005","90.247","0.005","1590.64","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Ammoniumylmethyl-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C8 H13 Cl2 N3 O -","- C8 H13 Cl2 N3 O -","- C48 H78 Cl12 N18 O6 -","6","3","XU5941","Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Yildiz, S. Zeki; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis and of 2-ammoniumylmethyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2018","74","10","1517","1520","10.1107/S205698901801335X","","","0.71073","MoKα","","0.0461","0.0351","","","0.0874","0.0916","","","","","","0.956","","","","has coordinates,has Fobs","211232","2020-10-21","18:00:00",""
"2242660","12.6628","0.0004","20.3304","0.0009","7.3838","0.0003","90","","104.895","0.003","90","","1837.01","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine","","- C23 H23 N O -","- C23 H23 N O -","- C92 H92 N4 O4 -","4","1","XU5940","Kansiz, Sevgi; Macit, Mustafa; Dege, Necmi; Tsapyuk, Galyna G.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>-[(2-ethoxynaphthalen-1-yl)methylidene]-5,6,7,8-tetrahydronaphthalen-1-amine","Acta Crystallographica Section E","2018","74","10","1513","1516","10.1107/S2056989018013117","","","0.71073","MoKα","","0.1166","0.0805","","","0.2271","0.2554","","","","","","1.044","","","","has coordinates,has Fobs","211233","2020-10-21","18:00:00",""
"2242661","16.3222","0.0007","16.0137","0.0006","11.1284","0.0004","90","","110.26","0.0013","90","","2728.77","0.19","299","","299","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) thiocyanate","","- C6 H16 Co N7 O2 S2 -","- C6 H16 Co N7 O2 S2 -","- C48 H128 Co8 N56 O16 S16 -","8","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0571","0.0481","","","0.1386","0.173","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","211234","2020-10-21","18:00:00",""
"2242662","8.9059","0.0004","12.3302","0.0005","12.2915","0.0005","90","","92.295","0.002","90","","1348.67","0.1","301","","301","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) chloride monohydrate","","- C5 H18 Cl Co N6 O3 S -","- C5 H18 Cl Co N6 O3 S -","- C20 H72 Cl4 Co4 N24 O12 S4 -","4","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0384","0.0315","","","0.0989","0.1313","","","","","","0.981","","","","has coordinates,has Fobs","211234","2020-10-21","18:00:00",""
"2242663","11.3141","0.0006","16.2969","0.0007","16.1298","0.0007","90","","109.023","0.002","90","","2811.7","0.2","301","2","301","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans<i>-Bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) perchlorate‒thiocyanate(0.75/0.25)","","- C5.25 H16 Cl0.75 Co N6.25 O5 S1.25 -","- C5.25 H16 Cl0.75 Co N6.25 O5 S1.25 -","- C42 H128 Cl6 Co8 N50 O40 S10 -","8","2","","Ohba, Shigeru; Tsuchimoto, Masanobu; Kurachi, Saeko","Investigation of solid-state photochemical nitro‒nitrito linkage isomerization: crystal structures of <i>trans</i>-bis(ethylenediamine)(isothiocyanato)nitritocobalt(III) salts: thiocyanate, chloride monohydrate, and perchlorate‒thiocyanate(0.75/0.25)","Acta Crystallographica Section E","2018","74","10","1526","1531","10.1107/S2056989018013634","","","0.71073","MoKα","","0.0837","0.0626","","","0.1697","0.2208","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","211234","2020-10-21","18:00:00",""
"2242664","10.907","0.002","6.1686","0.0012","19.885","0.004","90","","96.02","0.03","90","","1330.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(4-Chlorophenyl)-2-trichloromethyl-1,3-thiazolidin-4-one","","- C10 H7 Cl4 N O S -","- C10 H7 Cl4 N O S -","- C40 H28 Cl16 N4 O4 S4 -","4","1","","Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John","Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position","Acta Crystallographica Section E","2018","74","10","1509","1512","10.1107/S2056989018013257","","","0.71073","MoKα","","0.0414","0.0361","","","0.1028","0.1069","","","","","","0.997","","","","has coordinates","211235","2020-10-21","18:00:00",""
"2242665","6.1968","0.0013","9.578","0.002","10.854","0.002","103.135","0.004","91.319","0.003","99.239","0.003","618","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","2-Trichloromethyl-3-phenyl-1,3-thiazolidin-4-one","","- C10 H8 Cl3 N O S -","- C10 H8 Cl3 N O S -","- C20 H16 Cl6 N2 O2 S2 -","2","1","","Nuriye, Ahmed; Yennawar, Hemant; Cannon, Kevin; Tierney, John","Crystal structures of two thiazolidinone derivatives bearing a trichloromethyl substituent at the 2-position","Acta Crystallographica Section E","2018","74","10","1509","1512","10.1107/S2056989018013257","","","0.71073","MoKα","","0.0423","0.0383","","","0.1141","0.1177","","","","","","1.009","","","","has coordinates","211235","2020-10-21","18:00:00",""
"2242666","11.1719","0.0002","16.426","0.0003","4.0249","0.0001","90","","90","","90","","738.61","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Methoxy-benzaldehyde oxime","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.033","0.0325","","","0.0877","0.088","","","","","","1.079","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242667","4.6775","0.0002","13.0996","0.0005","14.1984","0.0005","90","","90","","90","","869.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethoxy-benzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.0658","0.058","","","0.1453","0.1512","","","","","","1.035","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242668","4.9441","0.0002","8.2188","0.0004","12.1308","0.0003","108.849","0.003","92.288","0.003","106.273","0.004","443.17","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dimethoxybenzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C18 H22 N2 O6 -","2","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.0368","0.0347","","","0.0985","0.1009","","","","","","0.877","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242669","7.648","0.0001","21.338","0.0004","10.9421","0.0002","90","","90.555","0.002","90","","1785.59","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dimethoxybenzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C72 H88 N8 O24 -","8","2","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","0.71075","MoKα","","0.033","0.0308","","","0.0844","0.0861","","","","","","1.061","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242670","10.4996","0.0015","12.4896","0.0018","11.8128","0.0017","90","","107.936","0.005","90","","1473.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2,6-Dimethoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","LD2146","Faizi, Md. Serajul Haque; Lone, Mohamad Nadeem; Dege, Necmi; Malinkin, Sergey; Sliva, Tatiana Yu.","Crystal structure of (<i>E</i>)-2,6-dimethoxy-4-{[(4-methoxyphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2018","74","11","1540","1542","10.1107/S2056989018013713","","","0.71073","MoKα","","0.0583","0.0441","","","0.1066","0.1157","","","","","","1.051","","","","has coordinates,has Fobs","211389","2020-10-21","18:00:00",""
"2242671","11.6136","0.0003","6.2403","0.0001","12.6875","0.0003","90","","104.385","0.001","90","","890.67","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","13-(<i>E</i>)-(2-Aminobenzylidene)parthenolide","(1a<i>R</i>,4<i>E</i>,7a<i>S</i>,8<i>E</i>,10a<i>S</i>,10b<i>R</i>)-8-(2-Aminobenzylidene)-1a,5-dimethyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","SJ5564","Bommagani, Shobanbabu; Penthala, Narsihma R.; Parkin, Sean; Crooks, Peter A.","Crystal structure of 13-(<i>E</i>)-(2-aminobenzylidene)parthenolide","Acta Crystallographica Section E","2018","74","11","1543","1546","10.1107/S2056989018013622","","","1.54178","CuKα","","0.0322","0.0318","","","0.0837","0.0842","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","211390","2020-10-21","18:00:00",""
"2242672","13.956","0.0004","8.2829","0.0002","19.9532","0.0006","90","","95.475","0.001","90","","2295.99","0.11","190","2","190","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","4-(Thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","MW2138","Mishnev, Anatoly; Bisenieks, Egils; Mandrika, Ilona; Petrovska, Ramona; Kalme, Zenta; Bruvere, Imanta; Duburs, Gunars","Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester","Acta Crystallographica Section E","2018","74","11","1577","1579","10.1107/S2056989018014251","","","0.71073","MoKα","","0.1426","0.0648","","","0.1409","0.1664","","","","","","1.029","","","","has coordinates,has disorder","211458","2020-10-21","18:00:00",""
"2242673","7.6276","0.0006","11.09","0.001","17.116","0.002","96.95","0.01","99.49","0.01","106.08","0.01","1350.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-4-Chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate","","- C9 H10 Cl N3 O4 S2 -","- C9 H10 Cl N3 O4 S2 -","- C36 H40 Cl4 N12 O16 S8 -","4","2","RZ5243","Pai, Nikhila; Foro, Sabine; Thimme Gowda, B.","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-chloro-<i>N</i>'-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate","Acta Crystallographica Section E","2018","74","11","1569","1573","10.1107/S2056989018013658","","","0.71073","MoKα","","0.0896","0.0576","","","0.1442","0.1607","","","","","","1.053","","","","has coordinates,has Fobs","211459","2020-10-21","18:00:00",""
"2242674","9.162","0.0002","9.162","0.0002","11.0736","0.0003","90","","90","","120","","805.01","0.03","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","Tricadmium orthotellurate(VI)","","- Cd3 O6 Te -","- Cd3 O6 Te -","- Cd18 O36 Te6 -","6","0.333333","VN2137","Weil, Matthias; Veyer, Théo","A new form of Cd~3~TeO~6~ revealing dimorphism","Acta Crystallographica Section E","2018","74","11","1561","1564","10.1107/S2056989018014214","","","0.71073","MoKα","","0.0263","0.0234","","","0.0451","0.0456","","","","","","1.286","","","","has coordinates,has Fobs","211460","2020-10-21","18:00:00",""
"2242675","5.8354","0.0005","16.5123","0.0014","15.133","0.0012","90","","93.837","0.002","90","","1454.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Isopropyl-<i>N</i>-(phenyl)phenylglyoxylamide","2-Oxo-<i>N</i>,2-diphenyl-<i>N</i>-(propan-2-yl)acetamide","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","IS5500","Miyamoto, Hisakazu; Yamauchi, Genta; Ueno, Takuya; Uekusa, Hidehiro","Crystal structure of <i>N</i>-isopropyl-<i>N</i>-(phenyl)phenylglyoxylamide","Acta Crystallographica Section E","2018","74","11","1574","1576","10.1107/S2056989018013762","","","0.71075","MoKα","","0.068","0.0543","","","0.1349","0.1429","","","","","","1.126","","","","has coordinates,has Fobs","211461","2020-10-21","18:00:00",""
"2242676","8.654","0.005","10.923","0.006","10.964","0.005","85.85","0.02","82.38","0.02","74.57","0.03","989.5","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[Bis(1-methyl-1<i>H</i>-indol-3-yl)methyl]benzoic acid","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","HB7773","Sapari, Suhaila; Wong, Sheryn; Ngatiman, Mohammad Fadzlee; Misral, Huda; Hasbullah, Siti Aishah","Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1<i>H</i>-indol-3-yl)methyl]benzoic acid","Acta Crystallographica Section E","2018","74","11","1580","1583","10.1107/S2056989018014160","","","0.71076","MoKα","","0.1194","0.0692","","","0.1621","0.1904","","","","","","1.032","","","","has coordinates,has Fobs","211492","2020-10-21","18:00:00",""
"2242677","11.4519","0.0003","9.237","0.0003","11.8727","0.0004","90","","90.475","0.003","90","","1255.87","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>*,7a<i>S</i>*)-2-(2,6-Dioxopiperidin-3-yl)hexahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","LH5881","Hijji, Yousef; Benjamin, Ellis; Jasinski, Jerry P.; Butcher, Ray J.","Crystal structure of the thalidomide analog (3a<i>R</i>*,7a<i>S</i>*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2018","74","11","1595","1598","10.1107/S2056989018014317","","","1.54178","CuKα","","0.0674","0.0663","","","0.2053","0.2076","","","","","","1.187","","","","has coordinates,has Fobs","211493","2020-10-21","18:00:00",""
"2242678","14.835","0.007","6.453","0.002","28","0.011","90","","93.505","0.01","90","","2675.4","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-3-(1<i>H</i>-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate","","- C17 H13 N2 O3.5 -","- C17 H13 N2 O3.5 -","- C136 H104 N16 O28 -","8","1","LH5883","Zaini, Muhamad Fikri; Razak, Ibrahim Abdul; Khairul, Wan Mohd; Arshad, Suhana","Crystal structure and optical spectroscopic analyses of (<i>E</i>)-3-(1<i>H</i>-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate","Acta Crystallographica Section E","2018","74","11","1589","1594","10.1107/S2056989018014329","","","0.71073","MoKα","","0.1274","0.061","","","0.1419","0.1898","","","","","","1.074","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242679","8.7661","0.0002","11.2908","0.0003","17.5089","0.0004","90","","96.021","0.001","90","","1723.41","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Crystal structure and Hirshfeld surface analysis of dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate, dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate","","- C18 H16 F3 N O7 -","- C18 H16 F3 N O7 -","- C72 H64 F12 N4 O28 -","4","1","WM5463","Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Dorovatovskii, Pavel V.; Guliyeva, Narmina A.; Panahova, Humay M.","Crystal structure and Hirshfeld surface analysis of dimethyl (3a<i>S</i>,6<i>R</i>,6a<i>S</i>,7<i>S</i>)-2-(2,2,2-trifluoroacetyl)-2,3-dihydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,9a-diepoxybenzo[<i>de</i>]isoquinoline-3a^1^,6a-dicarboxylate","Acta Crystallographica Section E","2018","74","11","1599","1604","10.1107/S2056989018014305","","","0.71073","MoKα","","0.0518","0.0364","","","0.0834","0.0908","","","","","","1.011","","","","has coordinates,has Fobs","211563","2020-10-21","18:00:00",""
"2242680","5.0922","0.0001","10.145","0.0002","8.195","0.0002","90","","103.834","0.002","90","","411.076","0.016","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium chloride monohydrate","","- C4 H11 Cl N2 O4 -","- C4 H11 Cl N2 O4 -","- C8 H22 Cl2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0225","0.0216","","","0.0573","0.0579","","","","","","1.073","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242681","5.2167","0.0002","10.2784","0.0005","8.3063","0.0004","90","","103.606","0.005","90","","432.88","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium bromide monohydrate","","- C4 H11 Br N2 O4 -","- C4 H11 Br N2 O4 -","- C8 H22 Br2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0305","0.0276","","","0.0602","0.0623","","","","","","1.031","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242682","5.3668","0.0005","10.6744","0.0008","8.4532","0.0006","90","","102.772","0.008","90","","472.28","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>L</i>-Asparaginium iodide monohydrate","","- C4 H11 I N2 O4 -","- C4 H11 I N2 O4 -","- C8 H22 I2 N4 O8 -","2","1","","de Moraes, Lygia S.; Kennedy, Alan R.; Logan, Charlie R.","Crystal structures of three halide salts of <small>L</small>-asparagine: an isostructural series","Acta Crystallographica Section E","2018","74","11","1619","1623","10.1107/S2056989018014603","","","0.71073","MoKα","","0.0325","0.0286","","","0.0553","0.0581","","","","","","1.02","","","","has coordinates,has Fobs","211564","2020-10-21","18:00:00",""
"2242683","16.136","0.0014","4.1745","0.0003","21.468","0.002","90","","95.026","0.007","90","","1440.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol","","- C13 H8 Br2 F N3 O3 -","- C13 H8 Br2 F N3 O3 -","- C52 H32 Br8 F4 N12 O12 -","4","1","XU5944","Yaman, Mavise; Aydemir, Ercan; Dege, Necmi; Agar, Erbil; Iskenderov, Turganbay S.","Synthesis, crystallographic analysis and Hirshfeld surface analysis of 4-bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol","Acta Crystallographica Section E","2018","74","11","1628","1632","10.1107/S2056989018014627","","","0.71073","MoKα","","0.1306","0.0506","","","0.0806","0.098","","","","","","0.839","","","","has coordinates,has Fobs","217635","2020-10-21","18:00:00",""
"2242684","12.6776","0.0009","7.9675","0.0006","15.1932","0.0011","90","","95.7559","0.0019","90","","1526.91","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Sodium (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoate methanol sesquisolvate","","- C15.5 H19 Na O4.5 -","- C15.5 H19 Na O4.5 -","- C62 H76 Na4 O18 -","4","2","RZ5244","Kriegner, Helene; Weil, Matthias; Jones, Matthew J.","The methanol sesquisolvate of sodium naproxen","Acta Crystallographica Section E","2018","74","11","1624","1627","10.1107/S2056989018014652","","","0.71073","MoKα","","0.0474","0.0388","","","0.0982","0.1047","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211566","2020-10-21","18:00:00",""
"2242685","10.4311","0.0003","11.0892","0.0003","12.8868","0.0003","90","","90","","90","","1490.65","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide, ThiaDianin's sulfoxide","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethyl-3<i>H</i>-1λ^4^-benzothiopyran-1-one","","- C18 H20 O2 S -","- C18 H20 O2 S -","- C72 H80 O8 S4 -","4","1","KQ2023","Gall, James H.; White, J. Derek; MacNicol, David D.; Frampton, Christopher S.","The first spontaneous resolution of a sulfoxide: Dianin's compound analogue, (<i>R</i>)-4-(4-hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide","Acta Crystallographica Section E","2018","74","11","1633","1636","10.1107/S2056989018014366","","","1.54184","CuKα","","0.0291","0.0283","","","0.0742","0.075","","","","","","1.03","","","","has coordinates,has Fobs","211567","2020-10-21","18:00:00",""
"2242686","14.949","0.002","10.02","0.001","9.641","0.001","90","","104.27","0.01","90","","1399.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-Benzylidene-4-chlorobenzenesulfonohydrazide","","- C13 H11 Cl N2 O2 S -","- C13 H11 Cl N2 O2 S -","- C52 H44 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.186","0.0624","","","0.0869","0.1128","","","","","","0.907","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242687","15.034","0.002","10.18","0.001","9.8119","0.0009","90","","106.34","0.01","90","","1441","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Chloro-<i>N</i>'-(2-methylbenzylidene)benzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C56 H52 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.1006","0.067","","","0.1779","0.1953","","","","","","1.071","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242688","9.406","0.001","5.8353","0.0006","26.93","0.002","90","","99.621","0.009","90","","1457.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-methylbenzylidene)benzenesulfonohydrazide","","- C14 H13 Cl N2 O2 S -","- C14 H13 Cl N2 O2 S -","- C56 H52 Cl4 N8 O8 S4 -","4","1","SU5455","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-benzylidene-4-chlorobenzenesulfonohydrazide and of its (<i>E</i>)-4-chloro-<i>N</i>'-(<i>ortho</i>- and <i>para</i>-methylbenzylidene)benzenesulfonohydrazide derivatives","Acta Crystallographica Section E","2018","74","11","1613","1618","10.1107/S2056989018014500","","","0.71073","MoKα","","0.0569","0.0403","","","0.0871","0.0947","","","","","","1.048","","","","has coordinates,has Fobs","211568","2020-10-21","18:00:00",""
"2242689","28.446","0.003","8.2572","0.0008","32.262","0.003","90","","120.602","0.001","90","","6522.4","1.1","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,15-Dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate","","- C40.25 H45.26 N2 -","- C40.253 H45.257 N2 -","- C322.024 H362.056 N16 -","8","2","EX2015","Zhang, Dingchao; Shi, Longqiang; Liu, Zhi; Li, Li; Hu, Zhenhao; Cui, Deliang; Yang, Jing","Crystal structure of 5,15-dihexyl-5,15-dihydrobenzo[2,1-<i>b</i>:4,3-<i>c</i>']dicarbazole hexane 0.375-solvate","Acta Crystallographica Section E","2018","74","11","1605","1608","10.1107/S2056989018014512","","","0.71069","MoKα","","0.0852","0.0649","","","0.1751","0.1908","","","","","","1.052","","","","has coordinates,has Fobs","211569","2020-10-21","18:00:00",""
"2242690","8.1971","0.0014","13.942","0.002","7.4148","0.0011","90","","91.588","0.006","90","","847.1","0.2","301","","301","","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(nitro)(pyridine-κ<i>N</i>)cobalt(III)","","- C15 H19 Co N2 O6 -","- C15 H19 Co N2 O6 -","- C30 H38 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0475","0.0396","","","0.0753","0.0831","","","","","","1.116","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2242691","8.2459","0.0009","13.9603","0.0014","7.9222","0.0008","90","","96.997","0.004","90","","905.17","0.16","301","","301","2","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methylpyridine-κ<i>N</i>)(nitro)cobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C32 H42 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0363","0.0309","","","0.0658","0.0737","","","","","","1.132","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2242692","12.3811","0.0004","14.0483","0.0005","10.6443","0.0003","90","","90","","90","","1851.4","0.1","301","","301","","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(3-hydroxypyridine-κ<i>N</i>)(nitro)cobalt(III) monohydrate","","- C15 H21 Co N2 O8 -","- C15 H21 Co N2 O8 -","- C60 H84 Co4 N8 O32 -","4","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.049","0.0318","","","0.0656","0.0874","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","211632","2020-10-21","18:00:00",""
"2242693","7.2061","0.0015","10.237","0.002","10.694","0.002","95.356","0.003","92.867","0.003","100.291","0.003","771","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C16 H17 N5 O3 -","- C16 H17 N5 O3 -","- C32 H34 N10 O6 -","2","1","XU5945","Abad, Nadeem; Ramli, Youssef; Hökelek, Tuncer; Sebbar, Nada Kheira; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","Acta Crystallographica Section E","2018","74","11","1648","1652","10.1107/S2056989018014561","","","0.71073","MoKα","","0.0819","0.0467","","","0.1413","0.1514","","","","","","1.012","","","","has coordinates,has Fobs","211633","2020-10-21","18:00:00",""
"2242694","36.27","0.007","5.3986","0.0011","18.62","0.004","90","","103.34","0.03","90","","3547.6","1.3","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride","","- C18 H24 Cl N3 O -","- C18 H24 Cl N3 O -","- C144 H192 Cl8 N24 O8 -","8","1","","Zende, Vidya; Girase, Tejpalsingh Ramsingh; Chrysochos, Nicolas; Kapdi, Anant Ramakant; Schulzke, Carola","Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2018","74","11","1665","1668","10.1107/S2056989018014792","","","0.71073","MoKα","","0.1106","0.0661","","","0.168","0.1992","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211682","2020-10-21","18:00:00",""
"2242695","9.1132","0.0006","12.6676","0.0009","12.8164","0.0009","91.344","0.001","99.537","0.001","96.34","0.001","1448.87","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(4<i>Z</i>)-1-Butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","2","XU5946","Chkirate, Karim; Sebbar, Nada Kheira; Hökelek, Tuncer; Krishnan, Damodaran; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of (4<i>Z</i>)-1-butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one","Acta Crystallographica Section E","2018","74","11","1669","1673","10.1107/S2056989018014779","","","0.71073","MoKα","","0.0579","0.0454","","","0.1261","0.1328","","","","","","1.083","","","","has coordinates,has Fobs","211683","2020-10-21","18:00:00",""
"2242696","17.6701","0.001","30.9809","0.0019","10.1452","0.0005","90","","90","","90","","5553.8","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)manganese(II)","","- C24 H40 Cl2 Mn N4 -","- C24 H40 Cl2 Mn N4 -","- C192 H320 Cl16 Mn8 N32 -","8","0.5","ZL2740","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0312","0.0261","","","0.0532","0.0543","","","","","","0.981","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242697","17.5703","0.0009","30.9167","0.0012","10.111","0.0006","90","","90","","90","","5492.5","0.5","153","2","153","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)iron(II)","","- C24 H40 Cl2 Fe N4 -","- C24 H40 Cl2 Fe N4 -","- C192 H320 Cl16 Fe8 N32 -","8","0.5","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0393","0.0331","","","0.0722","0.0741","","","","","","1.014","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242698","13.905","0.007","12.5","0.006","20.742","0.011","90","","92.24","0.04","90","","3602","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)iron(II)","","- C36 H56 Cl2 Fe N4 -","- C36 H56 Cl2 Fe N4 -","- C144 H224 Cl8 Fe4 N16 -","4","1","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0393","0.033","","","0.0721","0.0745","","","","","","1.139","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242699","13.8898","0.0003","12.5574","0.0003","20.8394","0.0005","90","","91.717","0.002","90","","3633.17","0.15","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(<i>N</i>,<i>N</i>'-dicyclohexyl-3-cyclopropylprop-2-ynamidine)cobalt(II)","","- C36 H56 Cl2 Co N4 -","- C36 H56 Cl2 Co N4 -","- C144 H224 Cl8 Co4 N16 -","4","1","","Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes","Acta Crystallographica Section E","2018","74","11","1658","1664","10.1107/S2056989018014895","","","0.71073","MoKα","","0.0474","0.0352","","","0.0788","0.0831","","","","","","1.025","","","","has coordinates,has Fobs","211684","2020-10-21","18:00:00",""
"2242700","9.0166","0.0001","9.0166","0.0001","23.1158","0.0003","90","","90","","90","","1879.29","0.04","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","Bis(diisopropylammonium) molybdate","Bis(diisopropylazanium tetraoxomolybdate","","- C12 H32 Mo N2 O4 -","- C12 H32 Mo N2 O4 -","- C48 H128 Mo4 N8 O16 -","4","0.5","WM5465","Sarr, Bougar; Mbaye, Abdou; Diop, Cheikh Abdoul Khadir; Melin, Frederic; Hellwig, Petra; Sidibé, Mamadou; Rousselin, Yoann","Crystal structure of bis(diisopropylammonium) molybdate","Acta Crystallographica Section E","2018","74","11","1682","1685","10.1107/S2056989018014755","","","0.71073","MoKα","","0.0194","0.0186","","","0.0483","0.0488","","","","","","1.12","","","","has coordinates","211742","2020-10-21","18:00:00",""
"2242701","10.4731","0.0007","7.4612","0.0005","18.4906","0.0014","90","","94.201","0.006","90","","1441.01","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[(4,7-Dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate","","- C13 H18 N4 O3 -","- C13 H18 N4 O3 -","- C52 H72 N16 O12 -","4","1","XU5942","Aydemir, Ercan; Kansiz, Sevgi; Dege, Necmi; Genc, Hasan; Gaidai, Snizhana V.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[(4,7-dimethylquinolin-2-yl)methylidene]semicarbazide dihydrate","Acta Crystallographica Section E","2018","74","11","1674","1677","10.1107/S2056989018014925","","","0.71073","MoKα","","0.0961","0.0427","","","0.0865","0.0989","","","","","","0.857","","","","has coordinates,has Fobs","211744","2020-10-21","18:00:00",""
"2242702","11.0462","0.0004","16.1813","0.0006","14.3914","0.0005","90","","98.143","0.001","90","","2546.41","0.16","100","2","100","2","","","","","","","Synthesis","7","P 1 21/n 1","-P 2yn","14","bis(dppe))nickel(II) bis(triflate)","Bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate)","","- C54 H48 F6 Ni O6 P4 S2 -","- C54 H48 F6 Ni O6 P4 S2 -","- C108 H96 F12 Ni2 O12 P8 S4 -","2","0.5","HB7775","Cano-Benítez, Cristian A.; Metta-Magaña, Alejandro J.; Duarte-Ruiz, Álvaro","Crystal structure at 100K of bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material","Acta Crystallographica Section E","2018","74","11","1678","1681","10.1107/S2056989018014846","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0886","0.0989","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","211745","2020-10-21","18:00:00",""
"2242703","10.984","0.008","16.087","0.012","14.375","0.01","90","","97.996","0.013","90","","2515","3","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","bis(dppe))nickel(II) bis(triflate)","bis([1,2-bis(diphenylphosphino)ethane])nickel(II) bis(trifluoromethanesulfonate)","","- C54 H48 F6 Ni O6 P4 S2 -","- C54 H48 F6 Ni O6 P4 S2 -","- C108 H96 F12 Ni2 O12 P8 S4 -","2","0.5","","Cano-Benítez, Cristian A.; Metta-Magaña, Alejandro J.; Duarte-Ruiz, Álvaro","Crystal structure at 100K of bis[1,2-bis(diphenylphosphanyl)ethane]nickel(II) bis(trifluoromethanesulfonate): a possible negative thermal expansion molecular material","Acta Crystallographica Section E","2018","74","11","1678","1681","10.1107/S2056989018014846","","","0.71073","MoKα","","0.1098","0.0565","","","0.1149","0.1478","","","","","","1.016","","","","has coordinates,has disorder","211746","2020-10-21","18:00:00",""
"2242704","13.5685","0.0003","11.0227","0.0001","24.1575","0.0005","90","","100.142","0.002","90","","3556.58","0.11","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{μ-1,3-bis[2-(diphenylphosphanyl)ethyl]-1<i>H</i>-imidazole-κ^2^<i>P</i>:<i>P</i>'}bis[trichloridoiron(III)]","","- C62 H62 Cl6 Fe2 N4 P4 -","- C62 H62 Cl6 Fe2 N4 P4 -","- C124 H124 Cl12 Fe4 N8 P8 -","2","0.5","WM5467","Stucke, Nadja; Näther, Christian; Tuczek, Felix","Crystal structure of [{FeCl~3~}~2~(μ-PC^H^P)~2~] [PC^H^P = 1,3-bis(2-diphenylphosphanylethyl)-3<i>H</i>-imidazol-1-ium] with an unknown solvent","Acta Crystallographica Section E","2018","74","11","1686","1690","10.1107/S205698901801472X","","","0.71073","MoKα","","0.0392","0.0358","","","0.0854","0.0872","","","","","","1.067","","","","has coordinates,has Fobs","211747","2020-10-21","18:00:00",""
"2242705","9.582","0.013","11.444","0.015","26.69","0.04","90","","90","","90","","2927","7","298","2","298.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","HB7781","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0671","0.0528","","","0.127","0.1353","","","","","","1.076","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242706","7.114","0.002","9.401","0.003","12.038","0.003","94.808","0.005","92.11","0.005","107.198","0.005","764.8","0.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","1-Cyclohexyl-2-(2-nitrophenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","- C15 H18 N2 O5 S -","- C15 H18 N2 O5 S -","- C30 H36 N4 O10 S2 -","2","1","","Yennawar, Hemant P.; Silverberg, Lee J.; Cannon, Kevin; Gandla, Deepa; Kondaveeti, Sandeep K.; Zdilla, Michael J.; Nuriye, Ahmed","Crystal structures of two 1,3-thiazolidin-4-one derivatives featuring sulfide and sulfone functional groups","Acta Crystallographica Section E","2018","74","12","1695","1699","10.1107/S2056989018015098","","","0.71073","MoKα","","0.0325","0.0303","","","0.0798","0.0815","","","","","","1.045","","","","has coordinates,has Fobs","211853","2020-10-21","18:00:00",""
"2242707","4.9498","0.0006","22.34","0.003","7.0003","0.0009","90","","104.4","0.01","90","","749.76","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>E</i>)-<i>N</i>'-(2-Chlorobenzylidene)-4-nitrobenzenesulfonohydrazide","","- C13 H10 Cl N3 O4 S -","- C13 H10 Cl N3 O4 S -","- C26 H20 Cl2 N6 O8 S2 -","2","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.0355","0.0304","","","0.0753","0.0778","","","","","","1.008","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242708","7.19","0.001","15.288","0.002","13.596","0.002","90","","97.68","0.02","90","","1481.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(2-Methylbenzylidene)-4-nitrobenzenesulfonohydrazide","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.048","0.0383","","","0.0911","0.0966","","","","","","1.045","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242709","22.589","0.002","5.4424","0.0004","12.718","0.0009","90","","92.146","0.006","90","","1562.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-(4-Methylbenzylidene)-4-nitrobenzenesulfonohydrazide monohydrate","","- C14 H15 N3 O5 S -","- C14 H15 N3 O5 S -","- C56 H60 N12 O20 S4 -","4","1","SU5460","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structures and the Hirshfeld surface analysis of <i>(E)</i>-4-nitro-<i>N</i>'-(<i>o</i>-chloro, <i>o</i>- and <i>p</i>-methylbenzylidene)benzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1710","1716","10.1107/S2056989018015207","","","0.71073","MoKα","","0.0524","0.0343","","","0.0838","0.0916","","","","","","1.02","","","","has coordinates,has Fobs","211854","2020-10-21","18:00:00",""
"2242710","10.4851","0.0001","15.4106","0.0002","11.4557","0.0001","90","","103.853","0.0007","90","","1797.19","0.03","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-8-Benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one","","- C19 H21 F3 O2 S -","- C19 H21 F3 O2 S -","- C76 H84 F12 O8 S4 -","4","1","VM2212","Linden, Anthony; Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz","Chemo- and regioselective [3~+~2]-cycloadditions of thiocarbonyl ylides: crystal structures of <i>trans</i>-8-benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one and <i>trans</i>-3-benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","Acta Crystallographica Section E","2018","74","12","1705","1709","10.1107/S2056989018015335","","","0.71073","MoKα","","0.0598","0.0428","","","0.103","0.1141","","","","","","1.057","","","","has coordinates,has Fobs","211855","2020-10-21","18:00:00",""
"2242711","7.4578","0.0001","17.6162","0.0003","14.5634","0.0002","90","","92.6805","0.0009","90","","1911.22","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-3-Benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","","- C24 H19 F3 O S -","- C24 H19 F3 O S -","- C96 H76 F12 O4 S4 -","4","1","VM2212","Linden, Anthony; Mlostoń, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz","Chemo- and regioselective [3~+~2]-cycloadditions of thiocarbonyl ylides: crystal structures of <i>trans</i>-8-benzoyl-1,1,3,3-tetramethyl-7-trifluoromethyl-5-thiaspiro[3.4]octan-2-one and <i>trans</i>-3-benzoyl-2,2-diphenyl-4-(trifluoromethyl)tetrahydrothiophene","Acta Crystallographica Section E","2018","74","12","1705","1709","10.1107/S2056989018015335","","","0.71073","MoKα","","0.0737","0.0453","","","0.102","0.1178","","","","","","1.066","","","","has coordinates,has Fobs","211855","2020-10-21","18:00:00",""
"2242712","38.341","0.0003","11.2756","0.0001","19.3374","0.00016","90","","97.503","0.001","90","","8288.32","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2,2'-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate","","- C46 H31.55 Fe N14 O2.78 -","- C46 H31.552 Fe N14 O2.776 -","- C368 H252.416 Fe8 N112 O22.208 -","8","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.54184","CuKα","","0.0405","0.0327","","","0.0775","0.081","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242713","11.6644","0.0003","23.1692","0.0004","13.9599","0.0003","90","","97.202","0.002","90","","3742.96","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate","","- C40 H31 Cl Fe N10 O4 S -","- C40 H31 Cl Fe N10 O4 S -","- C160 H124 Cl4 Fe4 N40 O16 S4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","0.71073","MoKα","","0.0909","0.0594","","","0.1451","0.1701","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242714","11.6979","0.0004","25.7716","0.0007","14.1055","0.0004","90","","100.444","0.003","90","","4182","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate","","- C45.85 H44.56 B F4 Fe N10 O1.93 -","- C45.852 H44.556 B F4 Fe N10 O1.926 -","- C183.408 H178.224 B4 F16 Fe4 N40 O7.704 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","0.71073","MoKα","","0.0993","0.0617","","","0.1057","0.1227","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242715","11.5865","0.0003","25.5914","0.0005","14.4997","0.0003","90","","104.641","0.003","90","","4159.77","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate","","- C45 H41 B F4 Fe N10 O -","- C45 H41 B F4 Fe N10 O -","- C180 H164 B4 F16 Fe4 N40 O4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.54184","CuKα","","0.09","0.0593","","","0.1439","0.162","","","","","","1.018","","","","has coordinates,has Fobs","211856","2020-10-21","18:00:00",""
"2242716","11.6027","0.0005","25.0774","0.001","14.7438","0.0006","90","","104.211","0.002","90","","4158.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate","","- C45 H41 B F4 Fe N10 S -","- C45 H41 B F4 Fe N10 S -","- C180 H164 B4 F16 Fe4 N40 S4 -","4","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.34139","GaKα","","0.0399","0.033","","","0.0818","0.0856","","","","","","1.04","","","","has coordinates,has Fobs","211856","2020-10-21","18:00:00",""
"2242717","11.6246","0.0005","14.2404","0.0006","14.3224","0.0006","65.34","0.002","76.04","0.003","87.571","0.003","2086.48","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tris(5,5'-dimethyl-2,2'-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate","","- C46 H43 B F4 Fe N10 O -","- C46 H43 B F4 Fe N10 O -","- C92 H86 B2 F8 Fe2 N20 O2 -","2","1","SJ5565","Addala, Abderezak; Setifi, Zouaoui; Morimoto, Yukio; Artetxe, Beñat; Matsumoto, Takashi; Gutiérrez-Zorrilla, Juan M.; Glidewell, Christopher","Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order <i>versus</i> disorder, hydrogen bonding and C—N···π interactions","Acta Crystallographica Section E","2018","74","12","1717","1726","10.1107/S2056989018015426","","","1.34139","GaKα","","0.0595","0.0447","","","0.1047","0.1106","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","211856","2020-10-21","18:00:00",""
"2242718","5.018","0.0004","14.6142","0.001","15.8882","0.0011","90","","105.563","0.003","90","","1122.43","0.14","180","1","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloranilic acid‒ethyleneurea (1/1)","2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone‒imidazolidin-2-one (1/1)","","- C9 H8 Cl2 N2 O5 -","- C9 H8 Cl2 N2 O5 -","- C36 H32 Cl8 N8 O20 -","4","1","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two hydrogen-bonded compounds of chloranilic acid‒ethyleneurea (1/1) and chloranilic acid‒hydantoin (1/2)","Acta Crystallographica Section E","2018","74","12","1727","1730","10.1107/S205698901801561X","","","0.71075","MoKα","","0.038","0.0333","","","0.0897","0.0917","","","","","","1.069","","","","has coordinates,has Fobs","211887","2020-10-21","18:00:00",""
"2242719","19.569","0.0008","5.18661","0.0001","16.6103","0.0003","90","","117.965","0.003","90","","1489.04","0.08","180","1","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Chloranilic acid‒hydantoin (1/2)","2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone‒imidazolidine-2,4-dione (1/2)","","- C12 H10 Cl2 N4 O8 -","- C12 H10 Cl2 N4 O8 -","- C48 H40 Cl8 N16 O32 -","4","0.5","","Gotoh, Kazuma; Ishida, Hiroyuki","Crystal structures of two hydrogen-bonded compounds of chloranilic acid‒ethyleneurea (1/1) and chloranilic acid‒hydantoin (1/2)","Acta Crystallographica Section E","2018","74","12","1727","1730","10.1107/S205698901801561X","","","0.71075","MoKα","","0.0395","0.0364","","","0.0984","0.0997","","","","","","1.081","","","","has coordinates,has Fobs","211887","2020-10-21","18:00:00",""
"2242720","16.9036","0.0017","21.004","0.002","9.6205","0.0009","90","","103.071","0.003","90","","3327.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[bis(ethylenedithio)tetrathiafulvalenium] tetrathiocyanatocuprate(II) bis[bis(ethylenedithio)tetrathiafulvalene]","","- C44 H32 Cu N4 S36 -","- C44 H32 Cu N4 S36 -","- C88 H64 Cu2 N8 S72 -","2","0.5","WM5468","Faulmann, Christophe; Cormary, Beno\?ît; Valade, Lydie; Jacob, Kane; de Caro, Dominique","A new compound in the BEDT-TTF family [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] with a tetrathiocyanatocuprate(II) anion, (BEDT-TTF)~4~[Cu(NCS)~4~]","Acta Crystallographica Section E","2018","74","12","1755","1758","10.1107/S2056989018015293","","","0.71073","MoKα","","0.052","0.0321","","","0.0689","0.0775","","","","","","1.017","","","","has coordinates,has Fobs","211888","2020-10-21","18:00:00",""
"2242721","9.1478","0.0004","12.8195","0.0006","6.7459","0.0003","90","","104.202","0.003","90","","766.91","0.06","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Pyromellitic acid dianhydride‒naphthalene (1/1)","Pyromellitic acid dianhydride‒naphthalene (1/1)","","- C20 H10 O6 -","- C20 H10 O6 -","- C40 H20 O12 -","2","0.25","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.039","0.034","","","0.0941","0.0983","","","","","","1.039","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242722","57.356","0.009","7.0172","0.001","9.3429","0.0013","90","","90","","90","","3760.3","1","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","Pyromellitic acid dianhydride‒fluoranthene (1/1)","Pyromellitic acid dianhydride‒fluoranthene (1/1)","","- C26 H12 O6 -","- C26 H12 O6 -","- C208 H96 O48 -","8","2","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.0668","0.0453","","","0.099","0.1062","","","","","","1.078","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242723","7.1012","0.0008","9.5674","0.0012","13.6147","0.0016","99.109","0.004","99.941","0.004","92.219","0.004","897.53","0.19","173","2","173","2","","","","","","","","3","P -1","-P 1","2","Pyromellitic acid dianhydride‒9-methylanthracene (1/1)","Pyromellitic acid dianhydride‒9-methylanthracene (1/1)","","- C25 H14 O6 -","- C25 H14 O6 -","- C50 H28 O12 -","2","1","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.1148","0.0725","","","0.1941","0.2226","","","","","","1.022","","","","has coordinates,has Fobs","211889","2020-10-21","18:00:00",""
"2242724","9.1949","0.0007","17.9751","0.0014","10.9716","0.001","90","","112.829","0.002","90","","1671.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Pyromellitic acid dianhydride‒ethyl anthracene-9-carboxylate (1/2)","Pyromellitic acid dianhydride‒ethyl anthracene-9-carboxylate (1/2)","","- C44 H26 O12 -","- C44 H26 O12 -","- C88 H52 O24 -","2","0.5","","Hill, Tania N.; Lemmerer, Andreas","Binary charge-transfer complexes using pyromellitic acid dianhydride featuring C—H···O hydrogen bonds","Acta Crystallographica Section E","2018","74","12","1772","1777","10.1107/S2056989018015645","","x-ray","0.71073","MoKα","","0.0717","0.0425","","","0.099","0.1116","","","","","","1.047","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242725","10.7085","0.0001","41.9751","0.0002","18.9268","0.0001","90","","101.49","0.001","90","","8336.92","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,2'-Thiodibenzoic acid‒triphenylphosphane oxide (1/2)","2-[(2-Carboxyphenyl)sulfanyl]benzoic acid‒(diphenylphosphoryl)benzene (1/2)","","- C50 H40 O6 P2 S -","- C50 H40 O6 P2 S -","- C400 H320 O48 P16 S8 -","8","2","HB7782","Tan, Sang Loon; Tiekink, Edward R. T.","A 1:2 co-crystal of 2,2'-thiodibenzoic acid and triphenylphosphane oxide: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2018","74","12","1764","1771","10.1107/S205698901801544X","","x-ray","1.54184","CuKα","","0.0356","0.0331","","","0.09","0.0921","","","","","","1.036","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2242726","10.0911","0.0007","4.8021","0.0003","20.8939","0.0015","90","","91.174","0.007","90","","1012.27","0.12","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Prop-2-yn-1-yloxy)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C52 H32 O12 -","4","1","","Melo Ottoni, Flaviano; Isidório, Raquel Geralda; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization","Acta Crystallographica Section E","2018","74","12","1731","1734","10.1107/S2056989018015438","","x-ray","0.71073","MoKα","","0.1292","0.0585","","","0.1191","0.1558","","","","","","1.005","","","","has coordinates","211891","2020-10-21","18:00:00",""
"2242727","3.9906","0.0006","11.6943","0.0016","12.3413","0.0016","63.347","0.014","83.343","0.012","83.018","0.012","509.69","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-(Prop-2-yn-1-yloxy)naphthalene-1,4-dione","","- C13 H8 O3 -","- C13 H8 O3 -","- C26 H16 O6 -","2","1","","Melo Ottoni, Flaviano; Isidório, Raquel Geralda; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Two polymorphs of 2-(prop-2-yn-1-yloxy)naphthalene-1,4-dione: solvent-dependent crystallization","Acta Crystallographica Section E","2018","74","12","1731","1734","10.1107/S2056989018015438","","x-ray","0.71073","MoKα","","0.2053","0.0638","","","0.1177","0.1842","","","","","","1.002","","","","has coordinates","211891","2020-10-21","18:00:00",""
"2242728","6.924","0.002","14.007","0.003","40.339","0.008","90","","90","","90","","3912.3","1.6","302","","302","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(nitro-κ<i>N</i>)(pyridine-κ<i>N</i>)cobalt(III)","","- C21 H19 Co N4 O4 -","- C21 H19 Co N4 O4 -","- C168 H152 Co8 N32 O32 -","8","2","","Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","12","1759","1763","10.1107/S2056989018015487","","","0.71073","MoKα","","0.0679","0.0342","","","0.0655","0.0809","","","","","","1.11","","","","has coordinates,has Fobs","211892","2020-10-21","18:00:00",""
"2242729","9.743","0.0004","18.0136","0.0006","12.8488","0.0005","90","","106.476","0.001","90","","2162.45","0.14","301","","301","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(4-methylpyridine-κ<i>N</i>)(nitro-κ<i>N</i>)cobalt(III)","","- C22 H21 Co N4 O4 -","- C22 H21 Co N4 O4 -","- C88 H84 Co4 N16 O16 -","4","1","","Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","12","1759","1763","10.1107/S2056989018015487","","","0.71073","MoKα","","0.0857","0.0551","","","0.1467","0.1916","","","","","","1.076","","","","has coordinates,has Fobs","211892","2020-10-21","18:00:00",""
"2242730","6.6816","0.0002","22.8286","0.0008","8.657","0.0003","90","","104.551","0.002","90","","1278.11","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Amino-4-nitrobenzoate (2-hydroxyethyl)dimethylazanium","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C44 H68 N12 O20 -","4","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0678","0.0535","","","0.1136","0.1234","","","","","","1.07","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242731","21.1138","0.0005","12.3635","0.0005","13.1909","0.0004","90","","120.627","0.002","90","","2963.02","0.18","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Amino-4-nitrobenzoate <i>tert</i>-butyl(2-hydroxyethyl)azanium","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C104 H168 N24 O40 -","8","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0834","0.0499","","","0.119","0.1353","","","","","","1.02","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242732","13.6269","0.0006","9.4976","0.0003","10.2042","0.0004","90","","90.355","0.002","90","","1320.63","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-nitrobenzoate 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","","- C11 H17 N3 O7 -","- C11 H17 N3 O7 -","- C44 H68 N12 O28 -","4","1","HB7785","Wardell, James L.; Tiekink, Edward R. T.","Crystal structures of the 1:1 salts of 2-amino-4-nitrobenzoate with each of (2-hydroxyethyl)dimethylazanium, <i>tert</i>-butyl(2-hydroxyethyl)azanium and 1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium","Acta Crystallographica Section E","2018","74","12","1735","1740","10.1107/S2056989018015578","","","0.71073","MoKα","","0.0752","0.0475","","","0.1088","0.1219","","","","","","1.044","","","","has coordinates,has Fobs","211893","2020-10-21","18:00:00",""
"2242733","5.1669","0.0002","14.0781","0.0005","15.5152","0.0005","82.596","0.003","80.552","0.003","80.463","0.003","1091.87","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","Carboxine Form I","6-Methyl-<i>N</i>-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","2","HB7783","Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A.","Two polymorphic forms of the oxathiin systemic fungicide active carboxine","Acta Crystallographica Section E","2018","74","12","1741","1745","10.1107/S2056989018015451","","","1.54178","CuKα","","0.0314","0.0308","","","0.0796","0.08","","","","","","1.026","","","","has coordinates,has Fobs","211894","2020-10-21","18:00:00",""
"2242734","9.6424","0.0002","11.4059","0.0003","21.6672","0.0005","90","","94.711","0.002","90","","2374.91","0.1","100","2","100","1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Carboxine Form II","6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C96 H104 N8 O16 S8 -","8","1","","Frampton, Christopher S.; Frampton, Eleanor S.; Thomson, Paul A.","Two polymorphic forms of the oxathiin systemic fungicide active carboxine","Acta Crystallographica Section E","2018","74","12","1741","1745","10.1107/S2056989018015451","","","1.54178","CuKα","","0.0425","0.0402","","","0.1132","0.1159","","","","","","1.031","","","","has coordinates,has Fobs","211894","2020-10-21","18:00:00",""
"2242735","11.5244","0.0005","8.6312","0.0004","17.9845","0.0008","90","","94.134","0.001","90","","1784.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{[2-Oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-1-yl)methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","XU5947","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; Hni, Brahim; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2018","74","12","1746","1750","10.1107/S2056989018015219","","","0.71073","MoKα","","0.0444","0.0394","","","0.1092","0.1125","","","","","","1.086","","","","has coordinates,has Fobs","211895","2020-10-21","18:00:00",""
"2242736","13.164","0.002","7.4692","0.0009","21.173","0.003","90","","90","","90","","2081.8","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylic acid","","- C11 H8 N2 O4 -","- C11 H8 N2 O4 -","- C88 H64 N16 O32 -","8","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0925","0.0449","","","0.0987","0.1215","","","","","","1.034","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242737","5.9","0.0004","14.5273","0.0012","14.8726","0.0012","90","","98.867","0.003","90","","1259.51","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 1-phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0924","0.042","","","0.0982","0.1289","","","","","","1.037","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242738","7.6546","0.0005","8.0959","0.0005","11.3065","0.0006","78.988","0.003","85.527","0.003","87.548","0.004","685.4","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-(4-methylphenyl)-1<i>H</i>-pyrazole-3,4-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0716","0.0444","","","0.1089","0.1277","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","211942","2020-10-21","18:00:00",""
"2242739","7.603","0.0006","22.6605","0.0019","7.6751","0.0007","90","","102.284","0.003","90","","1292.05","0.19","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Methoxyphenyl)-1<i>H</i>-pyrazole-3,4-dicarbohydrazide","","- C12 H14 N6 O3 -","- C12 H14 N6 O3 -","- C48 H56 N24 O12 -","4","1","ZL2741","Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding","Acta Crystallographica Section E","2018","74","12","1783","1789","10.1107/S2056989018015864","","","0.71073","MoKα","","0.0832","0.0457","","","0.0927","0.1082","","","","","","1.053","","","","has coordinates,has Fobs","211942","2020-10-21","18:00:00",""
"2242740","10.3207","0.0006","10.5311","0.0006","11.6703","0.0007","71.605","0.004","64.168","0.004","63.516","0.004","1010.23","0.11","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(μ-1-amidinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetraisopropylguanidinato-κ^5^<i>N</i>^1^:<i>N</i>^1^,<i>N</i>^2^:<i>N</i>^2^,<i>N</i>^4^)dipotassium]-μ-1,2-dimethoxyethane-κ^2^<i>O</i>:<i>O</i>']","","- C32 H68 K2 N8 O2 -","- C32 H68 K2 N8 O2 -","- C32 H68 K2 N8 O2 -","1","0.5","ZL2742","Lorenz, Volker; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Formation and structural characterization of a potassium amidinoguanidinate","Acta Crystallographica Section E","2018","74","12","1795","1799","10.1107/S2056989018015980","","","0.71073","MoKα","","0.0602","0.0513","","","0.1332","0.1389","","","","","","1.032","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2242741","5.9306","0.0006","9.477","0.001","13.04","0.002","98.822","0.009","96.046","0.009","92.416","0.009","718.94","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>'-(4-chlorobenzylidene)benzenesulfonohydrazide","","- C13 H10 Cl2 N2 O2 S -","- C13 H10 Cl2 N2 O2 S -","- C26 H20 Cl4 N4 O4 S2 -","2","1","SU5458","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of two (<i>E</i>)-<i>N</i>'-(<i>para</i>-substituted benzylidene) 4-chlorobenzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1808","1814","10.1107/S205698901801592X","","","0.71073","MoKα","","0.0433","0.0379","","","0.0981","0.1022","","","","","","1.078","","","","has coordinates,has Fobs","212034","2020-10-21","18:00:00",""
"2242742","19.903","0.001","10.2517","0.0007","15.064","0.001","90","","103.929","0.007","90","","2983.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-chloro-<i>N</i>'-(4-Nitrobenzylidene)benzenesulfonohydrazide","","- C13 H10 Cl N3 O4 S -","- C13 H10 Cl N3 O4 S -","- C104 H80 Cl8 N24 O32 S8 -","8","2","SU5458","Salian, Akshatha R.; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of two (<i>E</i>)-<i>N</i>'-(<i>para</i>-substituted benzylidene) 4-chlorobenzenesulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1808","1814","10.1107/S205698901801592X","","","0.71073","MoKα","","0.0542","0.0381","","","0.0915","0.101","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","212034","2020-10-21","18:00:00",""
"2242743","7.5241","0.0003","8.2898","0.0003","18.7359","0.0006","89.738","0.003","79.626","0.003","64.741","0.004","1036.17","0.08","101.3","0.8","101.3","0.8","","","","","","","","4","P -1","-P 1","2","4-dimethylaminopyridinium hydrogen oxalate 0.22 hydrate","4-(Dimethylamino)pyridinum hydrogen oxalate 0.22-hydrate,","","- C9 H12.44 N2 O4.22 -","- C9 H12.443 N2 O4.2215 -","- C36 H49.772 N8 O16.886 -","4","2","QM2130","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","1.54184","CuKα","","0.0453","0.0386","","","0.0961","0.1024","","","","","","1.033","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242744","9.7043","0.0001","20.6128","0.0002","11.3649","0.0002","90","","95.301","0.001","90","","2263.63","0.05","100.9","0.4","100.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-t-butylpyridinium hydrogen oxalate","4-<i>tert</i>-Butylpyridinium hydrogen oxalate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C88 H120 N8 O32 -","8","2","","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","1.54184","CuKα","","0.0353","0.0316","","","0.0826","0.0858","","","","","","1.03","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242745","5.6867","0.0003","12.2465","0.0008","12.0831","0.0006","90","","113.15","0.004","90","","773.74","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound X","Morpholinium hydrogen oxalate","","- C6 H11 N O5 -","- C6 H11 N O5 -","- C24 H44 N4 O20 -","4","1","","Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D.","Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts","Acta Crystallographica Section E","2018","74","12","1804","1807","10.1107/S2056989018015827","","x-ray","0.71073","MoKα","","0.0586","0.0415","","","0.1008","0.1102","","","","","","1.045","","","","has coordinates,has Fobs","212035","2020-10-21","18:00:00",""
"2242746","7.806","0.004","8.263","0.003","10.414","0.006","97.26","0.011","109.65","0.02","93.79","0.02","623.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(4-Methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone","","- C13 H12 O2 S2 -","- C13 H12 O2 S2 -","- C26 H24 O4 S4 -","2","1","VM2213","Nagaraju, S.; Sridhar, M. A.; Pradeepa Kumara, C.S.; Sadashiva, M. P.; Lakshminarayana, B. N.; Lokanath, N. K.","Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone","Acta Crystallographica Section E","2018","74","12","1800","1803","10.1107/S2056989018016043","","","0.71073","MoKα","","0.0513","0.0464","","","0.1234","0.1284","","","","","","1.087","","","","has coordinates,has Fobs","212036","2020-10-21","18:00:00",""
"2242747","16.6108","0.0006","12.0803","0.0006","7.0946","0.0004","90","","90.396","0.004","90","","1423.59","0.12","298","0.1","298","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5,5'-(Propane-2,2-diyl)bis(2-hydroxybenzaldehyde)","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","LH5885","Sausa, Rosario C.; Lastovickova, Dominika N.; La Scala, John J.","Synthesis and crystal structures of 5,5'-(propane-2,2-diyl)bis(2-hydroxybenzaldehyde) and 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","Acta Crystallographica Section E","2018","74","12","1872","1877","10.1107/S2056989018016316","","","0.71073","MoKα","","0.0651","0.0507","","","0.1155","0.1222","","","","","","1.097","","","","has coordinates,has Fobs","212134","2020-10-21","18:00:00",""
"2242748","13.4327","0.0004","7.992","0.0003","15.2062","0.0005","90","","90.348","0.003","90","","1632.42","0.09","297.5","0.5","297.5","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","","- C19 H16 O6 -","- C19 H16 O6 -","- C76 H64 O24 -","4","1","","Sausa, Rosario C.; Lastovickova, Dominika N.; La Scala, John J.","Synthesis and crystal structures of 5,5'-(propane-2,2-diyl)bis(2-hydroxybenzaldehyde) and 5,5'-(propane-2,2-diyl)bis(2-hydroxyisophthalaldehyde)","Acta Crystallographica Section E","2018","74","12","1872","1877","10.1107/S2056989018016316","","x-ray","0.71073","MoKα","","0.0715","0.0561","","","0.1546","0.1669","","","","","","1.04","","","","has coordinates,has Fobs","212134","2020-10-21","18:00:00",""
"2242749","14.1447","0.0014","11.838","0.0012","7.4252","0.0008","90","","96.681","0.007","90","","1234.9","0.2","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","3-(4-Methylphenyl)-6-nitro-1<i>H</i>-indazole","","- C14 H11 N3 O3 -","- C14 H11 N3 O3 -","- C56 H44 N12 O12 -","4","2","FF2156","Ben-Yahia, Ali; El Bakri, Youness; Lai, Chin-Hung; Essassi, El Mokhtar; Mague, Joel T.","Crystal structure, DFT calculations and Hirshfeld surface analysis of 3-(4-methylphenyl)-6-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2018","74","12","1857","1861","10.1107/S205698901801647X","","","0.71073","MoKα","","0.1992","0.0639","","","0.1152","0.1584","","","","","","0.939","","","","has coordinates,has Fobs","212135","2020-10-21","18:00:00",""
"2242750","6.8087","0.0002","11.8568","0.0005","15.2562","0.0006","67.473","0.002","81.663","0.002","89.824","0.003","1123.77","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate","","- C19 H17 Cl3 F6 N2 O3 -","- C19 H17 Cl3 F6 N2 O3 -","- C38 H34 Cl6 F12 N4 O6 -","2","1","HB7786","Wardell, James L.; Jotani, Mukesh M.; Tiekink, Edward R. T.","2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2018","74","12","1851","1856","10.1107/S2056989018016389","","","0.71073","MoKα","","0.0672","0.0469","","","0.1197","0.1329","","","","","","1.02","","","","has coordinates,has Fobs","212136","2020-10-21","18:00:00",""
"2242751","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","4-[(3-Methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","XU5950","Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Akram; Ahmad, Musheer; Iskenderov, Turganbay","Crystal structure of 4-[(3-methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","Acta Crystallographica Section E","2018","74","12","1847","1850","10.1107/S2056989018016262","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates,has Fobs","212137","2020-10-21","18:00:00",""
"2242752","13.5712","0.0008","9.5161","0.0006","20.1543","0.0013","90","","99.357","0.002","90","","2568.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4,6,11-Tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.0^3.8^]undecane","","- C32 H26 F4 N2 O -","- C32 H26 F4 N2 O -","- C128 H104 F16 N8 O4 -","4","1","DX2010","Vengatesh, G.; Sundaravadivelu, M.; Swinton Darious, Robert","Crystal structure and Hirshfeld surface analysis of 2,4,6,11-tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.0^3.8^]undecane","Acta Crystallographica Section E","2018","74","12","1867","1871","10.1107/S2056989018016122","","","0.71073","MoKα","","0.0624","0.0424","","","0.0991","0.1167","","","","","","1.076","","","","has coordinates,has Fobs","212138","2020-10-21","18:00:00",""
"2242753","8.3567","0.0002","9.204","0.0002","17.7868","0.0004","90","","94.559","0.001","90","","1363.74","0.05","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","XU5952","Saber, Asmaa; Sebbar, Nada Kheira; Hökelek, Tuncer; El hafi, Mohamed; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1<i>H</i>-1,3-benzodiazol-2-one","Acta Crystallographica Section E","2018","74","12","1842","1846","10.1107/S2056989018016298","","","1.54178","CuKα","","0.0426","0.038","","","0.1037","0.1083","","","","","","1.049","","","","has coordinates,has Fobs","212139","2020-10-21","18:00:00",""
"2242754","19.221","0.002","5.427","0.0007","17.143","0.002","90","","105.45","0.02","90","","1723.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>'-[4-(Piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.061","0.0429","","","0.0977","0.108","","","","","","1.057","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242755","18.442","0.002","5.325","0.0004","19.412","0.002","90","","101.74","0.01","90","","1866.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-4-Methyl-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C19 H23 N3 O2 S -","- C19 H23 N3 O2 S -","- C76 H92 N12 O8 S4 -","4","1","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.0941","0.0514","","","0.1176","0.1365","","","","","","1.024","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242756","33.052","0.006","5.258","0.001","43.026","0.008","90","","94.05","0.02","90","","7459","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-4-Chloro-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]benzenesulfonohydrazide","","- C18 H20 Cl N3 O2 S -","- C18 H20 Cl N3 O2 S -","- C288 H320 Cl16 N48 O32 S16 -","16","2","TX2009","Pai, Nikhila; Foro, Sabine; Gowda, B. Thimme","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>'-[4-(piperidin-1-yl)benzylidene]arylsulfonohydrazides","Acta Crystallographica Section E","2018","74","12","1826","1832","10.1107/S2056989018016237","","","0.71073","MoKα","","0.1848","0.0751","","","0.133","0.172","","","","","","1.013","","","","has coordinates,has Fobs","212140","2020-10-21","18:00:00",""
"2242757","14.76937","0.00009","15.57623","0.0001","19.28129","0.00013","94.7754","0.0005","104.2","0.0006","100.929","0.0005","4182.75","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Bis{μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato}-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^;2κ^3^<i>O</i>,<i>O</i>',<i>O</i>^6^:3κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-bis(dimethylformamide-2κ<i>O</i>)dithiocyanato-1κ<i>N</i>,3κ<i>N</i>-2-samarium(III)-1,3-dizinc(II) {μ~2~-6,6'-dimethoxy-2,2'-[phenylene-1,2-diylbis(nitrilomethanylylidene)]diphenolato-1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':2κ^2^<i>O</i>,<i>O</i>'}trithiocyanato-1κ<i>N</i>;2κ^2^<i>N</i>,<i>N</i>-dizinc(II) dimethylformamide monosolvate 1.32-hydrate","","- C80 H75.64 N14 O15.32 S5 Sm Zn4 -","- C80 H75.64 N14 O15.32 S5 Sm Zn4 -","- C160 H151.28 N28 O30.64 S10 Sm2 Zn8 -","2","1","EX2013","Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Barry, Aliou Hamady; Orton, James B.; Coles, Simon J.","A new co-crystal dinuclear/trinuclear Zn^II^‒Zn^II^/Zn^II^‒Sm^III^‒Zn^II^ complex with a salen-type Schiff base ligand","Acta Crystallographica Section E","2018","74","12","1862","1866","10.1107/S2056989018016109","","x-ray","0.71075","MoKα","","0.0254","0.0242","","","0.0567","0.0572","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","212141","2020-10-21","18:00:00",""
"2242758","3.791","0.0002","18.0092","0.001","9.0069","0.0005","90","","101.704","0.002","90","","602.14","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","","- C6 H6 N4 -","- C6 H6 N4 -","- C24 H24 N16 -","4","1","LH5886","Lahmidi, Sanae; Sebbar, Nada Kheira; Hökelek, Tuncer; Chkirate, Karim; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2018","74","12","1833","1837","10.1107/S2056989018016225","","","1.54178","CuKα","","0.0462","0.0435","","","0.1104","0.1131","","","","","","1.097","","","","has coordinates,has Fobs","212142","2020-10-21","18:00:00",""
"2242759","7.2964","0.0002","5.9451","0.0002","18.2253","0.0007","90","","92.318","0.001","90","","789.93","0.05","296","2","296","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","<i>catena</i>-Poly[[[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-iodido-[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ-iodido] tetra(hydrogen sulfate) dihydrate]","","- C8 H40 I2 N8 O18 Pt2 S4 -","- C8 H40 I2 N8 O18 Pt2 S4 -","- C8 H40 I2 N8 O18 Pt2 S4 -","1","0.25","WM5469","Matsushita, Nobuyuki","A one-dimensional iodido-bridged Pt^II^/Pt^IV^ mixed-valence complex cation with a hydrogen sulfate counter-anion","Acta Crystallographica Section E","2018","74","12","1821","1825","10.1107/S2056989018016158","","","0.71075","MoKα","","0.0266","0.0235","","","0.0448","0.0455","","","","","","1.205","","","","has coordinates,has Fobs","212143","2020-10-21","18:00:00",""
"2242760","5.3265","0.0002","9.9946","0.0004","14.5414","0.0005","103.054","0.002","100.039","0.002","93.108","0.002","739.03","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","","- C16 H19 N5 O -","- C16 H19 N5 O -","- C32 H38 N10 O2 -","2","1","XU5949","Abad, Nadeem; Ramli, Youssef; Hökelek, Tuncer; Sebbar, Nada Kheira; Mague, Joel T.; Essassi, El Mokhtar","Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2018","74","12","1815","1820","10.1107/S205698901801589X","","","1.54178","CuKα","","0.0516","0.0408","","","0.0926","0.0995","","","","","","1.071","","","","has coordinates,has Fobs","212144","2020-10-21","18:00:00",""
"2242761","11.5011","0.001","14.2262","0.0013","16.2969","0.0014","80.305","0.001","78.449","0.001","81.753","0.001","2558.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Tris(1,1'-dibutyl-4,4'-bipyridine-1,1'-diium) bis(dimethyl sulfoxide)di-μ~3~-iodido-tetra-μ~2~-iodido-octaiodidotetralead(II) dimethyl sulfoxide disolvate","","- C62 H102 I14 N6 O4 Pb4 S4 -","- C62 H102 I14 N6 O4 Pb4 S4 -","- C62 H102 I14 N6 O4 Pb4 S4 -","1","0.5","EX2016","Li, Li; Zhao, Dan; Liu, Zhi; Zhang, Dingchao; Hu, Zhenhao; Li, Kunlun; Yang, Jing","Crystal structure of the lead-containing organic‒inorganic hybrid: (C~18~H~26~N~2~)~3~[Pb~4~I~14~(DMSO)~2~]·2DMSO","Acta Crystallographica Section E","2018","74","12","1878","1880","10.1107/S2056989018016584","","","0.71073","MoKα","","0.0375","0.0343","","","0.097","0.0989","","","","","","1.065","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2242762","30.642","0.002","8.0866","0.0004","23.413","0.002","90","","114.316","0.007","90","","5286.8","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[4'-(isoquinolin-2-ium-4-yl)-4,2':6',4''-terpyridine-1,1''-diium] tris(tetrachloridozincate)","","- C48 H38 Cl12 N8 Zn3 -","- C48 H38 Cl12 N8 Zn3 -","- C192 H152 Cl48 N32 Zn12 -","4","0.5","EB2014","Granifo, Juan; Suárez, Sebastián; Baggio, Ricardo","The enrichment ratio of atomic contacts in the crystal structure of isomeric, triply protonated, 4'-functionalized terpyridine cations with [ZnCl~4~]^2{-^} as counter-ion","Acta Crystallographica Section E","2018","74","12","1881","1886","10.1107/S2056989018016250","","x-ray","0.71073","MoKα","","0.0802","0.0454","","","0.0862","0.106","","","","","","1.083","","","","has coordinates,has Fobs","212311","2020-10-21","18:00:00",""
"2242763","9.6753","0.001","7.0072","0.0006","15.3749","0.0013","90","","93.425","0.007","90","","1040.51","0.17","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","","- C22 H28 Cl N O -","- C22 H28 Cl N O -","- C44 H56 Cl2 N2 O2 -","2","0.5","XU5948","Kansiz, Sevgi; Macit, Mustafa; Dege, Necmi; Pavlenko, Vadim A.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2,4-di-<i>tert</i>-butyl-6-[(3-chloro-4-methylphenylimino)methyl]phenol","Acta Crystallographica Section E","2018","74","12","1887","1890","10.1107/S2056989018016377","","","0.71073","MoKα","","0.0923","0.0531","","","0.1523","0.1681","","","","","","1.003","","","","has coordinates,has Fobs","212312","2020-10-21","18:00:00",""
"2242764","5.95842","0.00016","3.73769","0.0001","25.5943","0.0006","90","","95.362","0.002","90","","567.51","0.03","150","0.14","150","0.14","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","RZ5246","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.0465","0.0441","","","0.1277","0.1313","","","","","","1.13","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2242765","5.95233","0.00016","3.80345","0.00011","25.6879","0.0007","90","","95.037","0.002","90","","579.31","0.03","293","","293","","","","","","","","","4","P 1 c 1","P -2yc","7","4-Carboxyanilinium pyrazine-2-carboxylate","4-Carboxyanilinium pyrazine-2-carboxylate","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C24 H22 N6 O8 -","2","1","","Drozd, K. V.; Arkhipov, S. G.; Boldyreva, E. V.; Perlovich, G. L.","Crystal structure of a 1:1 salt of 4-aminobenzoic acid (vitamin B~10~) with pyrazinoic acid","Acta Crystallographica Section E","2018","74","12","1923","1927","10.1107/S2056989018016663","","x-ray","0.71073","MoKα","","0.053","0.0491","","","0.1398","0.1445","","","","","","1.111","","","","has coordinates,has Fobs","212313","2020-10-21","18:00:00",""
"2242766","21.6649","0.0018","14.9748","0.0012","14.9744","0.0011","90","","123.621","0.002","90","","4045.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II)","","- C36 H46 Cd I4 N4 -","- C36 H46 Cd I4 N4 -","- C144 H184 Cd4 I16 N16 -","4","0.5","SU5462","Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.","Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2018","74","12","1891","1894","10.1107/S2056989018016808","","","0.71073","MoKα","","0.1083","0.0427","","","0.0687","0.091","","","","","","1.018","","","","has coordinates,has Fobs","212314","2020-10-21","18:00:00",""
"2242767","8.2481","0.0006","9.7963","0.0009","15.5409","0.0014","94.283","0.005","101.647","0.005","99.112","0.005","1206.93","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-{2-[4-(Diethylamino)phenyl]ethenyl}-1-methylpyridin-1-ium 4-methoxybenzene-1-sulfonate monohydrate","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C50 H64 N4 O10 S2 -","2","1","SU5462","Antony, Priya; Inglebert, S. Antony; Ramaclus, Jerald V.; Sundaram, S. John; Sagayaraj, P.","Crystal structures of two stilbazole derivatives: bis{(<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (<i>E</i>)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2018","74","12","1891","1894","10.1107/S2056989018016808","","","0.71073","MoKα","","0.1565","0.0798","","","0.1365","0.1611","","","","","","1.069","","","","has coordinates,has Fobs","212314","2020-10-21","18:00:00",""
"2242768","8.719","0.0003","12.0891","0.0003","24.6794","0.0007","90","","90.806","0.003","90","","2601.07","0.13","130","0.1","130","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,3-Trimethyl-4-[6-(4-methylpiperazin-1-yl)-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-2'-yl]aniline dihydrate","","- C28 H35 N7 O2 -","- C28 H35 N7 O2 -","- C112 H140 N28 O8 -","4","1","SJ5567","White, Jonathan Michael; Brydon, Samuel Charles; Fellowes, Thomas","Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methylproamine","Acta Crystallographica Section E","2018","74","12","1903","1907","10.1107/S2056989018016791","","x-ray","1.54184","CuKα","","0.0536","0.0438","","","0.1111","0.1194","","","","","","1.029","","","","has coordinates,has Fobs","212315","2020-10-21","18:00:00",""
"2242769","9.875","0.0001","22.6561","0.0003","11.7917","0.0001","90","","101.188","0.001","90","","2588.01","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>,3-Trimethyl-4-[6-(4-methylpiperazin-1-yl)-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-2'-yl]aniline monohydrate","","- C28 H33 N7 O -","- C28 H33 N7 O -","- C112 H132 N28 O4 -","4","1","","White, Jonathan Michael; Brydon, Samuel Charles; Fellowes, Thomas","Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methylproamine","Acta Crystallographica Section E","2018","74","12","1903","1907","10.1107/S2056989018016791","","x-ray","1.54184","CuKα","","0.0576","0.0496","","","0.1371","0.1437","","","","","","1.079","","","","has coordinates,has Fobs","212315","2020-10-21","18:00:00",""
"2242770","6.0847","0.0014","8.5048","0.0019","17.286","0.004","102.668","0.007","90.646","0.006","109.813","0.008","817.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C36 H30 N6 O8 -","2","1","ZQ2243","Lakshmithendral, K.; Archana, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.","Crystal structures of 3-methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile and <i>N</i>-(4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","Acta Crystallographica Section E","2018","74","12","1919","1922","10.1107/S2056989018016754","","","0.71073","MoKα","","0.1559","0.0862","","","0.229","0.2823","","","","","","0.948","","","","has coordinates,has Fobs","212316","2020-10-21","18:00:00",""
"2242771","42.24","0.01","10.233","0.003","7.496","0.002","90","","91.016","0.011","90","","3239.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","","- C17 H14 Cl N3 O3 -","- C17 H14 Cl N3 O3 -","- C136 H112 Cl8 N24 O24 -","8","1","ZQ2243","Lakshmithendral, K.; Archana, K.; Saravanan, K.; Kabilan, S.; Selvanayagam, S.","Crystal structures of 3-methoxy-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy}benzonitrile and <i>N</i>-(4-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)acetamide","Acta Crystallographica Section E","2018","74","12","1919","1922","10.1107/S2056989018016754","","","0.71073","MoKα","","0.0828","0.0632","","","0.1637","0.182","","","","","","1.052","","","","has coordinates,has Fobs","212316","2020-10-21","18:00:00",""
"2242772","13.6143","0.0017","9.3067","0.0011","13.2101","0.0015","90","","92.369","0.004","90","","1672.3","0.3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]","","- C12 H6 Br2 Cu2 Fe N8 -","- C12 H6 Br2 Cu2 Fe N8 -","- C48 H24 Br8 Cu8 Fe4 N32 -","4","0.5","","Kucheriv, Olesia I.; Tokmenko, Inna I.; Matushko, Igor P.; Tsapyuk, Galyna G.; Gural'skiy, Il'ya A.","Crystal structure of poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]: a bimetallic metal-organic framework","Acta Crystallographica Section E","2018","74","12","1895","1898","10.1107/S2056989018016638","","","0.71073","MoKα","","0.0309","0.0255","","","0.0604","0.0626","","","","","","1.044","","","","has coordinates,has Fobs","212317","2020-10-21","18:00:00",""
"2242773","9.1463","0.0006","20.999","0.0011","11.2177","0.0007","90","","90.493","0.007","90","","2154.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","","- C50 H36 Mn N6 O4 S2 -","- C50 H36 Mn N6 O4 S2 -","- C100 H72 Mn2 N12 O8 S4 -","2","0.5","WM5475","Wellm, Carsten; Näther, Christian","Tetrakis(4-benzoylpyridine-κ<i>N</i>)bis(isothiocyanato-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2018","74","12","1899","1902","10.1107/S2056989018016432","","","0.71073","MoKα","","0.0504","0.0404","","","0.1026","0.1089","","","","","","1.035","","","","has coordinates,has Fobs","212318","2020-10-21","18:00:00",""
"2242774","9.2357","0.0007","15.6388","0.0012","11.984","0.001","90","","93.998","0.003","90","","1726.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C76 H92 N12 O4 -","4","1","","Dhanalakshmi, G.; Ramanjaneyulu, Mala; Thennarasu, Sathiah; Aravindhan, S.","Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-<i>a</i>]pyridine derivatives: <i>N</i>-<i>tert</i>-butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine and <i>N</i>-<i>tert</i>-butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2018","74","12","1913","1918","10.1107/S2056989018016651","","","0.71073","MoKα","","0.0827","0.0466","","","0.0994","0.119","","","","","","1.027","","","","has coordinates,has Fobs","212319","2020-10-21","18:00:00",""
"2242775","34.9185","0.0014","8.4656","0.0005","11.8361","0.0006","90","","91.061","0.005","90","","3498.2","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","","- C19 H24 N4 -","- C19 H24 N4 -","- C152 H192 N32 -","8","1","","Dhanalakshmi, G.; Ramanjaneyulu, Mala; Thennarasu, Sathiah; Aravindhan, S.","Crystal structure and Hirshfeld surface analysis of two imidazo[1,2-<i>a</i>]pyridine derivatives: <i>N</i>-<i>tert</i>-butyl-2-(4-methoxyphenyl)-5-methylimidazo[1,2-<i>a</i>]pyridin-3-amine and <i>N</i>-<i>tert</i>-butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyridin-3-amine","Acta Crystallographica Section E","2018","74","12","1913","1918","10.1107/S2056989018016651","","","0.71073","MoKα","","0.11","0.0492","","","0.119","0.1593","","","","","","1.015","","","","has coordinates,has Fobs","212319","2020-10-21","18:00:00",""
"2243188","12.4711","0.0002","12.0986","0.0002","13.7645","0.0002","90","","91.742","0.001","90","","2075.87","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3a<i>S</i>,3b<i>S</i>,4a<i>S</i>,5a<i>S</i>,6<i>S</i>,7a<i>R</i>,8a<i>R</i>,8b<i>S</i>,11a<i>R</i>)-6-(Furan-3-yl)-3a,5a,8b,11a-tetramethyl-3a,4a,5,5a,6,7,7a,8b,11,11a-decahydrooxireno[2',3':4b,5]oxireno[2'',3'':2',3']cyclopenta[1',2':7,8]phenanthro[10,1-<i>bc</i>]furan-3(3a<i>H</i>)-one hemihydrate","","- C26 H29 O5.5 -","- C26 H29 O5.5 -","- C104 H116 O22 -","4","2","","Kenfack Tsobnang, Patrice; Tsamo Tontsa, Armelle; Mkounga, Pierre; Ephrem Nkengfack, Augustin; Tonlé Kenfack, Ignas","Crystal structure of limonoid TS3, isolated from <i>Trichilia rubescens</i>","Acta Crystallographica Section E","2018","74","8","1083","1086","10.1107/S2056989018009775","","","1.54184","CuKα","","0.0331","0.0313","","","0.0778","0.0797","","","","","","1.021","","","","has coordinates,has Fobs","227656","2020-10-21","18:00:00",""
"2243189","5.8515","0.0008","7.5304","0.001","18.859","0.003","90","","93.979","0.005","90","","829","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>E</i>)-5-Phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","","- C15 H17 Br N4 O S -","- C15 H17 Br N4 O S -","- C30 H34 Br2 N8 O2 S2 -","2","1","XU5936","Akkurt, Mehmet; Maharramov, Abel M.; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Khalilov, Ali N.","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-5-phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate","Acta Crystallographica Section E","2018","74","9","1290","1294","10.1107/S2056989018011155","","","0.71073","MoKα","","0.0417","0.0371","","","0.0849","0.0874","","","","","","1.075","","","","has coordinates,has Fobs","227657","2020-10-21","18:00:00",""
"2243190","9.1172","0.0009","10.3752","0.001","14.7482","0.0014","89.044","0.002","86.658","0.002","82.896","0.002","1381.9","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(1<i>RS</i>,21<i>SR</i>)-Diethyl 2-[23-amino-22-ethoxycarbonyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18,22-heptaen-25-yl]but-2-endioate","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C60 H68 N4 O18 -","2","1","LD2144","Tran, Thi Thanh Van; Le, Tuan Anh; Truong, Hong Hieu; Dao, Thi Nhung; Soldatenkov, Anatoly T.; Khrustalev, Victor N.","One-pot synthesis of (1<i>RS</i>,21<i>SR</i>)-diethyl 2-[23-amino-22-ethoxycarbonyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18,22-heptaen-25-yl]but-2-endioate","Acta Crystallographica Section E","2018","74","9","1281","1284","10.1107/S205698901801160X","","","0.71073","MoKα","","0.1008","0.0551","","","0.1095","0.1269","","","","","","1.027","","","","has coordinates,has Fobs","227658","2020-10-21","18:00:00",""
"2243191","22.5144","0.0005","13.1601","0.0003","13.2652","0.0003","90","","93.4509","0.0011","90","","3923.24","0.15","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,3'-Bipyridine-2',6'-dicarbonitrile","","- C12 H6 N4 -","- C12 H6 N4 -","- C192 H96 N64 -","16","4","","Jung, Seoulgi; Park, Ki-Min; Kim, Jinho; Kang, Youngjin","Crystal structure of 2,3'-bipyridine-2',6'-dicarbonitrile","Acta Crystallographica Section E","2018","74","9","1272","1275","10.1107/S2056989018011532","","","0.71073","MoKα","","0.0732","0.0488","","","0.1244","0.1399","","","","","","1.045","","","","has coordinates,has Fobs","227659","2020-10-21","18:00:00",""
"2243192","9.3038","0.0011","15.0166","0.0018","16.117","0.0019","90","","99.286","0.002","90","","2222.2","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one","","- C31 H23 N O -","- C31 H23 N O -","- C124 H92 N4 O4 -","4","1","LH5878","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1302","1308","10.1107/S2056989018011131","","","0.71073","MoKα","","0.0994","0.0557","","","0.1189","0.1419","","","","","","1.031","","","","has coordinates,has Fobs","227660","2020-10-21","18:00:00",""
"2243193","18.019","0.003","29.214","0.004","9.5503","0.0013","90","","97.637","0.002","90","","4982.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(Anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","","- C35 H23 N O -","- C35 H23 N O -","- C280 H184 N8 O8 -","8","2","LH5878","Zainuri, Dian Alwani; Razak, Ibrahim Abdul; Arshad, Suhana","Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (<i>E</i>)-1-(anthracen-9-yl)-3-(9-ethyl-9<i>H</i>-carbazol-3-yl)prop-2-en-1-one and (<i>E</i>)-1-(anthracen-9-yl)-3-[4-(9<i>H</i>-carbazol-9-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1302","1308","10.1107/S2056989018011131","","","0.71073","MoKα","","0.2044","0.0839","","","0.1264","0.1694","","","","","","1.019","","","","has coordinates,has Fobs","227660","2020-10-21","18:00:00",""
"2243194","16.4359","0.001","5.1917","0.0003","20.5792","0.0011","90","","110.748","0.004","90","","1642.15","0.17","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromo-4,6-dimethylaniline","","- C8 H10 Br N -","- C8 H10 Br N -","- C64 H80 Br8 N8 -","8","2","LH5879","Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.","A structural study of 2,4-dimethylaniline derivatives","Acta Crystallographica Section E","2018","74","9","1276","1280","10.1107/S2056989018011404","","","0.71073","MoKα","","0.0503","0.0296","","","0.0615","0.0686","","","","","","1.002","","","","has coordinates,has Fobs","227661","2020-10-21","18:00:00",""
"2243195","7.6563","0.0002","13.2685","0.0004","8.3688","0.0002","90","","96.968","0.002","90","","843.89","0.04","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","1,4-Bis(2,4-dimethylphenyl)piperazine","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Penner, Samuel C.; Kalvandi, Maryam; Ritch, Jamie S.","A structural study of 2,4-dimethylaniline derivatives","Acta Crystallographica Section E","2018","74","9","1276","1280","10.1107/S2056989018011404","","","0.71073","MoKα","","0.062","0.0396","","","0.0894","0.0954","","","","","","1.046","","","","has coordinates,has Fobs","227661","2020-10-21","18:00:00",""
"2243196","7.8367","0.0003","9.6842","0.0004","7.5006","0.0004","90","","93.468","0.004","90","","568.19","0.04","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C11 H11 N O4 S -","- C11 H11 N O4 S -","- C22 H22 N2 O8 S2 -","2","1","ZP2032","Shishkina, Svitlana; Ukrainets, Igor; Hamza, Ganna; Grinevich, Lina","Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2018","74","9","1299","1301","10.1107/S2056989018011362","","","0.71073","MoKα","","0.0394","0.0345","","","0.0797","0.0845","","","","","","1.036","","","","has coordinates,has Fobs","227662","2020-10-21","18:00:00",""
"2243197","22.9297","0.0004","4.591","0.0001","7.09","0.0001","90","","90","","90","","746.37","0.02","95","","95","","","","","","","","","5","P m n 21","P 2ac -2","31","","Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate","","- C12 H17 N4 O6 P -","- C12 H17 N4 O6 P -","- C24 H34 N8 O12 P2 -","2","0.5","EB2010","Fábry, Jan","Bis(3-carbamoylpyridin-1-ium) phosphite monohydrate","Acta Crystallographica Section E","2018","74","9","1295","1298","10.1107/S2056989018011192","","","1.54184","CuKα","","0.0188","0.0188","","","0.0535","0.0535","","","","","","2.21","","","","has coordinates,has Fobs","227663","2020-10-21","18:00:00",""
"2243630","19.9709","0.0014","7.2155","0.0005","17.1989","0.0012","90","","98.579","0.002","90","","2450.6","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-Bis(5-fluoroindoline-2,3-dione 3-oximato-κ^2^<i>O</i>^2^,<i>N</i>^3^)-<i>trans</i>-bis(pyridine-κ<i>N</i>)copper(II)","","- C26 H18 Cu F2 N6 O4 -","- C26 H18 Cu F2 N6 O4 -","- C104 H72 Cu4 F8 N24 O16 -","4","0.5","","de Melo, Ana Paula Lopes; Bresolin, Leandro; Martins, Bianca Barreto; Gervini, Vanessa Carratu; de Oliveira, Adriano Bof","Crystal structure and Hirshfeld analysis of <i>trans</i>-bis(5-fluoroindoline-2,3-dione 3-oximato-κ^2^<i>O</i>^2^,<i>N</i>^3^)-<i>trans</i>-bis(pyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2018","74","4","428","432","10.1107/S2056989018003365","","","0.71073","MoKα","","0.0394","0.0326","","","0.0826","0.0864","","","","","","1.123","","","","has coordinates,has Fobs","258510","2020-10-21","05:06:45",""
"2243631","8.346","0.0017","9.2874","0.0019","10.171","0.002","104.32","0.03","90.28","0.03","109.6","0.03","716.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","[(5,16-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-2,13-diyl)diacetamide-κ^4^<i>N</i>^2^,<i>N</i>^6^,<i>N</i>^13^,<i>N</i>^17^]silver(II) dinitrate","","- C24 H46 Ag N8 O8 -","- C24 H46 Ag N8 O8 -","- C24 H46 Ag N8 O8 -","1","0.5","SJ5548","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of [2,13-bis(acetamido)-5,16-dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^<i>N</i>]silver(II) dinitrate from synchrotron X-ray data","Acta Crystallographica Section E","2018","74","4","461","464","10.1107/S2056989018003560","","","0.61","synchrotron","","0.0493","0.0433","","","0.1117","0.1151","","","","","","1.049","","","","has coordinates,has Fobs","258511","2020-10-21","05:07:37",""
"2243632","7.4207","0.0003","18.7599","0.0007","11.6463","0.0004","90","","100.887","0.004","90","","1592.12","0.11","108","2","108","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[diiodidomercury(II)]-μ-2,2'-dithiobis(pyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>']","","- C10 H8 Hg I2 N2 O2 S2 -","- C10 H8 Hg I2 N2 O2 S2 -","- C40 H32 Hg4 I8 N8 O8 S8 -","4","1","IS5492","Seidel, Rüdiger W.; Oppel, Iris M.","Crystal structure of <i>catena</i>-poly[[diiodidomercury(II)]-μ-2,2'-dithiobis(pyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2018","74","4","433","435","10.1107/S2056989018003055","","","0.71073","MoKα","","0.1001","0.0469","","","0.0483","0.0594","","","","","","1.018","","","","has coordinates,has Fobs","258512","2020-10-21","05:08:14",""
"2243633","6.9698","0.0001","10.6055","0.0002","10.8476","0.0002","98.784","0.002","97.636","0.002","108.308","0.002","738.21","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Aquachlorido(nitrato-κ^2^<i>O</i>,<i>O</i>')[1-(pyridin-2-yl-κ<i>N</i>)-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazine-κ<i>N</i>^2^]manganase(II)","","- C11 H12 Cl Mn N5 O4 -","- C11 H12 Cl Mn N5 O4 -","- C22 H24 Cl2 Mn2 N10 O8 -","2","1","EB2005","Sarr, Mamour; Diop, Mayoro; Thiam, Elhadj Ibrahima; Barry, Aliou Hamady; Gaye, Mohamed; Retailleau, Pascal","Crystal structure of aquachlorido(nitrato-κ^2^<i>O</i>,<i>O</i>')[1-(pyridin-2-yl-κ<i>N</i>)-2-(pyridin-2-ylmethylidene-κ<i>N</i>)hydrazine-κ<i>N</i>^2^]manganase(II)","Acta Crystallographica Section E","2018","74","4","450","453","10.1107/S2056989018003493","","","0.71073","MoKα","","0.0444","0.0337","","","0.0854","0.0907","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","258513","2020-10-21","05:08:38",""
"2243634","11.5404","0.0002","16.5073","0.0003","22.9519","0.0004","90","","95.0206","0.0009","90","","4355.58","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,2-Bis(η^5^-pentamethylcyclopentadienyl)-3,4-bis(trimethylsilyl)-2-zirconafuran-5-one-κ<i>O</i>^5^]triisobutylaluminium","","- C41 H75 Al O2 Si2 Zr -","- C41 H75 Al O2 Si2 Zr -","- C164 H300 Al4 O8 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Bogdanov, Vyacheslav S.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe; Beweries, Torsten; Shur, Vladimir B.","Synthesis and crystallographic characterization of [2,2-bis(η^5^-pentamethylcyclopentadienyl)-3,4-bis(trimethylsilyl)-2-zirconafuran-5-one-κ<i>O</i>^5^]triisobutylaluminium","Acta Crystallographica Section E","2018","74","4","566","568","10.1107/S2056989018004759","","","0.71073","MoKα","","0.0329","0.0256","","","0.0636","0.0676","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","258515","2020-10-21","05:09:54",""
"2243635","8.9703","0.0007","12.6433","0.0009","14.4233","0.0011","87.004","0.001","88.752","0.001","81.98","0.001","1617.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanolterbium(III) trichloride methanol disolvate","","- C26 H39 Cl3 N5 O8 Tb -","- C26 H39 Cl3 N5 O8 Tb -","- C52 H78 Cl6 N10 O16 Tb2 -","2","1","SU5429","Kachi-Terajima, Chihiro; Kimura, Norihisa","Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)","Acta Crystallographica Section E","2018","74","4","535","538","10.1107/S2056989018004103","","","0.71073","MoKα","","0.0318","0.0286","","","0.0672","0.069","","","","","","1.026","","","","has coordinates,has Fobs","258516","2020-10-21","05:10:44",""
"2243636","8.9852","0.0007","12.6242","0.001","14.3887","0.0012","87.062","0.001","88.81","0.001","82.068","0.001","1614.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanoldysprosium(III) trichloride methanol disolvate","","- C26 H39 Cl3 Dy N5 O8 -","- C26 H39 Cl3 Dy N5 O8 -","- C52 H78 Cl6 Dy2 N10 O16 -","2","1","SU5429","Kachi-Terajima, Chihiro; Kimura, Norihisa","Crystal structures of two isotypic lanthanide(III) complexes: triaqua[2,6-diacetylpyridine bis(benzoylhydrazone)]methanollanthanide(III) trichloride methanol disolvates (<i>Ln</i>^III^ = Tb and Dy)","Acta Crystallographica Section E","2018","74","4","535","538","10.1107/S2056989018004103","","","0.71073","MoKα","","0.0349","0.0301","","","0.0709","0.0728","","","","","","1.039","","","","has coordinates,has Fobs","258516","2020-10-21","05:10:45",""
"2243637","9.8129","0.0005","18.3694","0.0008","14.7122","0.0007","90","","99.769","0.002","90","","2613.5","0.2","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(diisopropylammonium) <i>cis</i>-diiodidobis(oxolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)","","- C16 H32 I2 N2 O8 Sn -","- C16 H32 I2 N2 O8 Sn -","- C64 H128 I8 N8 O32 Sn4 -","4","1","HB7738","Sarr, Bougar; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Rousselin, Yoann","Crystal structure of bis(diisopropylammonium) <i>cis</i>-diiodidobis(oxolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV)","Acta Crystallographica Section E","2018","74","4","502","504","10.1107/S2056989018003602","","","0.71073","MoKα","","0.0231","0.0182","","","0.0359","0.0382","","","","","","1.125","","","","has coordinates,has Fobs","258517","2020-10-21","05:11:37",""
"2243638","14.8828","0.0015","19.983","0.002","22.392","0.002","80.469","0.002","87.417","0.002","74.798","0.002","6337.7","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')\ bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')\ dilutetium <i>n</i>-heptane disolvate","","- C116 H200 Lu2 O24 P6 -","- C116 H200 Lu2 O24 P6 -","- C232 H400 Lu4 O48 P12 -","2","1","SU5432","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Crystal structure and catalytic activity of tetrakis(μ~2~-ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis(ethyl 2,6-di-<i>tert</i>-butyl-4-methylphenyl phosphato-κ^2^<i>O</i>,<i>O</i>')dilutetium <i>n</i>-heptane disolvate","Acta Crystallographica Section E","2018","74","4","543","547","10.1107/S2056989018004565","","","0.71073","MoKα","","0.1434","0.0628","","","0.1196","0.1468","","","","","","0.955","","","","has coordinates,has Fobs","258518","2020-10-21","05:12:07",""
"2243639","9.7626","0.0003","10.9008","0.0004","22.0679","0.0007","90","","98.0315","0.0014","90","","2325.43","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2-{[(8-Aminonaphthalen-1-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)bromidonickel(II)","","- C25 H29 Br N2 Ni O -","- C25 H29 Br N2 Ni O -","- C100 H116 Br4 N8 Ni4 O4 -","4","1","WM5439","O'Brien, Patrick; Zeller, Matthias; Lee, Wei-Tsung","Crystal structure of (2-{[(8-aminonaphthalen-1-yl)imino]methyl}-4,6-di-<i>tert</i>-butylphenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)bromidonickel(II)","Acta Crystallographica Section E","2018","74","4","469","473","10.1107/S2056989018003651","","","0.71073","MoKα","","0.0592","0.0459","","","0.119","0.1276","","","","","","1.068","","","","has coordinates,has Fobs","258519","2020-10-21","05:12:34",""
"2300631","7.1374","0.0007","4.4172","0.0005","6.7029","0.0008","90","","90","","90","","211.32","0.04","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lithium borohydride","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","GJ5200","Solar, Michael; Trapp, Nils","μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions","Journal of Applied Crystallography","2018","51","2","","","10.1107/S1600576718003291","","","1.54184","CuKα","","0.0581","0.056","","","0.1358","0.1381","","","","","","1.155","","","","has coordinates,has Fobs","207125","2020-10-21","18:00:00",""
"2300632","7.1431","0.0006","4.4159","0.0004","6.7027","0.0006","90","","90","","90","","211.42","0.03","100","0.1","100","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lithium borohydride","","- B H4 Li -","- B H4 Li -","- B4 H16 Li4 -","4","0.5","","Solar, Michael; Trapp, Nils","μCHILL: a lightweight, modular system for handling crystalline samples at low temperatures under inert conditions","Journal of Applied Crystallography","2018","51","2","","","10.1107/S1600576718003291","","","1.54184","CuKα","","0.0552","0.0521","","","0.1274","0.1292","","","","","","1.133","","","","has coordinates,has Fobs","207125","2020-10-21","18:00:00",""
"2300633","6.8","0.01","6.8","0.01","4.75","0.04","90","","90","","120","","190.2","1.6","293","","293","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Fe4 Mn Si3 -","- Fe4.1 Mn0.9 Si3 -","- Fe8.2 Mn1.8 Si6 -","2","0.0833333","PD5100","Grzechnik, Andrzej; Meven, Martin; Friese, Karen","Single-crystal neutron diffraction in diamond anvil cells with hot neutrons","Journal of Applied Crystallography","2018","51","2","351","356","10.1107/S1600576718000997","","","1.17","X-ray","","0.1095","0.0783","","","0.0612","0.0648","","","","","","3.15","","","","has coordinates,has Fobs","207638","2020-10-21","18:00:00",""
"2300634","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.1905","0.1523","","","0.3344","0.3676","","","","","","1.255","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300635","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2098","0.1887","","","0.4585","0.4706","","","","","","1.236","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300636","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.1934","0.1697","","","0.3763","0.3927","","","","","","1.192","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300637","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2131","0.1951","","","0.4368","0.4468","","","","","","1.222","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300638","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2676","0.223","","","0.4826","0.5322","","","","","","1.409","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300639","4.956","0.001","5.202","0.001","12.04","0.002","90","","97.87","0.03","90","","307.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- F Fe O3 Se -","- F Fe O3 Se -","- F4 Fe4 O12 Se4 -","4","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.1655","0.1439","","","0.3737","0.3859","","","","","","1.181","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300640","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.24","0.1953","","","0.4677","0.5078","","","","","","1.132","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300641","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2321","0.1965","","","0.4812","0.5085","","","","","","1.131","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300642","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O192 Si96 -","- O192 Si96 -","- O192 Si96 -","1","0.125","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2515","0.2327","","","0.5421","0.5571","","","","","","1.177","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300643","20.022","0.004","19.899","0.004","13.383","0.003","90","","90","","90","","5332","1.9","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- O24 Si12 -","- O24 Si12 -","- O192 Si96 -","8","1","","Wang, Yunchen; Yang, Taimin; Xu, Hongyi; Zou, Xiaodong; Wan, Wei","On the quality of the continuous rotation electron diffraction data for accurate atomic structure determination of inorganic compounds","Journal of Applied Crystallography","2018","51","4","","","10.1107/S1600576718007604","","","0.0251","","","0.2867","0.2648","","","0.6059","0.6226","","","","","","1.121","","","","has coordinates,has Fobs","208877","2020-10-21","18:00:00",""
"2300644","18.11","0.004","20.53","0.004","7.528","0.0015","90","","90","","90","","2798.9","1","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Mordenite","","- O96 Si48 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef","High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation","Journal of Applied Crystallography","2018","51","6","","","10.1107/S1600576718015145","","electron","0.0251","","","0.3007","0.2841","","","0.5628","0.5753","","","","","","1.647","","","","has coordinates,has Fobs","212145","2020-10-21","18:00:00",""
"2300645","18.11","0.004","20.53","0.004","7.528","0.0016","90","","90","","90","","2798.9","1","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","Mordenite","Mordenite","","- O96 Si48 -","- O96 Si48 -","- O96 Si48 -","1","0.0625","","Cichocka, Magdalena Ola; Ångström, Jonas; Wang, Bin; Zou, Xiaodong; Smeets, Stef","High-throughput continuous rotation electron diffraction data acquisition <i>via</i> software automation","Journal of Applied Crystallography","2018","51","6","","","10.1107/S1600576718015145","","electron","0.0251","","","0.1769","0.1602","","","0.4332","0.448","","","","","","1.61","","","","has coordinates,has Fobs","212145","2020-10-21","18:00:00",""
"2311092","23.1729","0.0014","3.6802","0.0003","15.6312","0.0008","90","","109.728","0.006","90","","1254.8","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Fluorosalicylic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C56 H40 F8 O24 -","8","2","JX3004","Lutz, Martin; Vliem, Jara F.; Rodenburg, Hendrik P.","Twinning in 5-fluorosalicylic acid: description of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","1","6","10.1107/S2053229617017077","","","0.71073","MoKα","","0.0631","0.0473","","","0.1133","0.1226","","","","","","1.053","","","","has coordinates,has Fobs","205701","2020-10-21","18:00:00",""
"2311094","7.52","0.0001","9.3837","0.0001","30.712","0.0005","90","","90","","90","","2167.21","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(E)-5-Phenyl-pent-1-enyl-boronic acid","","- C11 H15 B O2 -","- C11 H15 B O2 -","- C88 H120 B8 O16 -","8","1","","Fournier, Bertrand; Guillot, Beno\?ît; Lecomte, Claude; Escudero-Adán, Eduardo C.; Jelsch, Christian","A method to estimate statistical errors of properties derived from charge-density modelling","Acta Crystallographica Section A","2018","74","3","170","183","10.1107/S2053273318004308","","","0.71073","MoKα","","0.0351","0.0257","","","0.0375","0.0393","","","","","","0.952","","","","has coordinates,has Fobs","207651","2020-10-21","18:00:00",""
"2311095","8.952","0.0013","6.1946","0.0005","3.4927","0.0005","90","","112.19","0.01","90","","179.34","0.04","100","","100","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","diformohydrazide","diformohydrazide","","- C2 H4 N2 O2 -","- C2 H4 N2 O2 -","- C4 H8 N4 O4 -","2","0.5","KX5062","Tanaka, Kiyoaki","X-ray molecular orbital analysis. I. Quantum mechanical and crystallographic framework","Acta Crystallographica Section A","2018","74","4","345","356","10.1107/S2053273318005478","","","0.71073","MoKα","","","0.0129","","","0.0114","","","","","","","0.8288","","","","has coordinates","208875","2020-10-21","18:00:00",""
"2311557","20.0633","0.0004","20.0633","0.0004","16.8156","0.0004","90","","90","","90","","6768.9","0.2","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","(Diphenylamido-κ<i>N</i>){3-methyl-6-[(4-methylphenyl)(phenylazanidyl)methylidene]cyclohexa-2,4-dien-1-yl-κ^2^<i>N</i>,<i>C</i>^1^}(η^5^-pentamethylcyclopentadienyl)titanium(IV)","","- C43 H44 N2 Ti -","- C43 H44 N2 Ti -","- C344 H352 N16 Ti8 -","8","1","WM5424","Fischer, Malte; Schmidtmann, Marc; Beckhaus, Rüdiger","Crystal structure of the η<sup>4</sup>-ketimine titanium complex (di-phenyl-amido-κ<i>N</i>){3-methyl-6-[(4-methyl-phen-yl)(phenyl-aza-nid-yl)methyl-idene]cyclo-hexa-2,4-dien-1-yl-κ<sup>2</sup><i>N</i>,<i>C</i><sup>1</sup>}(η<sup>5</sup>-penta-methyl-cyclo-penta-dien-yl)titanium(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","34","37","10.1107/S2056989017017455","","","0.71073","MoKα","","0.0546","0.0432","","","0.1031","0.1104","","","","","","1.07","","","","has coordinates","245980","2020-10-21","18:00:00",""
"2311558","24.2353","0.0004","5.608","0.0002","24.9702","0.0004","90","","118.027","0.011","90","","2995.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Aquabis(nicotinamide-κ<i>N</i>)bis(4-sulfamoylbenzoato-κ<i>O</i>^1^)copper(II)","","- C26 H26 Cu N6 O11 S2 -","- C26 H26 Cu N6 O11 S2 -","- C104 H104 Cu4 N24 O44 S8 -","4","0.5","XU5914","Hökelek, Tuncer; Yavuz, Vijdan; Dal, Hakan; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i>)bis-(4-sulfamoylbenzoato-κ<i>O</i><sup>1</sup>)copper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","45","50","10.1107/S2056989017017765","","","0.71073","MoKα","","0.0652","0.0477","","","0.0958","0.1087","","","","","","1.099","","","","has coordinates","245981","2020-10-21","18:00:00",""
"2311559","12.3596","0.0005","8.3442","0.0003","19.5002","0.0007","90","","95.156","0.002","90","","2002.94","0.13","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis{μ-2,2'-[(3,4-dithiahexane-1,6-diyl)bis(nitrilomethanylylidene)]bis(4-bromophenolato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}dicopper(II)","","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C36 H32 Br4 Cu2 N4 O4 S4 -","- C72 H64 Br8 Cu4 N8 O8 S8 -","2","0.5","LH5862","Rusanova, Julia A.; Bederak, Dmytro; Kokozay, Vladimir N.","Bis{μ-2,2'-[(3,4-di-thia-hexane-1,6-di-yl)bis-(nitrilo-methanylyl-idene)]bis-(4-bromo-phenolato)-κ<sup>4</sup><i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}dicopper(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 1","38","40","10.1107/S2056989017017790","","","0.71073","MoKα","","0.0869","0.0456","","","0.0896","0.0983","","","","","","1.047","","","","has coordinates","245982","2020-10-21","18:00:00",""
"2311560","11.1574","0.0005","14.6104","0.0007","10.8342","0.0005","90","","110.454","0.002","90","","1654.78","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bromido(η^6^-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-\ 1-olato-κ^2^<i>O</i>,<i>O</i>')osmium","","- C17 H19 Br O2 Os -","- C17 H19 Br O2 Os -","- C68 H76 Br4 O8 Os4 -","4","1","HB7721","Clayton, Hadley S.; Tapala, Kgaugelo C.; Lemmerer, Andreas","Crystal structure of bromido(η<sup>6</sup>-1-isopropyl-4-methylbenzene)(7-oxocyclohepta-1,3,5-trien-1-olato-κ<sup>2</sup><i>O</i>,<i>O</i>')osmium.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","275","277","10.1107/S2056989018001391","","","0.71073","MoKα","","0.0581","0.0526","","","0.1152","0.118","","","","","","1.151","","","","has coordinates,has disorder","245983","2020-10-21","18:00:00",""
"2311561","8.78","0.0018","11.443","0.002","16.573","0.003","90","","90","","90","","1665.1","0.5","260","2","260","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver [(propane-1,3-diyldinitrilo-κ^2^<i>N</i>,<i>N</i>')tetraacetato-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III)","","- C11 H20 Ag Cr N2 O11 -","- C11 H20 Ag Cr N2 O11 -","- C44 H80 Ag4 Cr4 N8 O44 -","4","1","NK2244","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of silver [(propane-1,3-diyl-dinitrilo-κ<sup>2</sup><i>N</i>,<i>N</i>')-tetra-acetato-κ<sup>4</sup><i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III) from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","278","281","10.1107/S2056989018001743","","","0.61","synchrotron","","0.0246","0.0198","","","0.0505","0.051","","","","","","1.072","","","","has coordinates","245984","2020-10-21","18:00:00",""
"2311562","25.8819","0.0017","7.1272","0.0004","16.4146","0.0011","90","","97.282","0.006","90","","3003.5","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[<i>N</i>,<i>N</i>-bis(2-methoxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']di-<i>n</i>-butyltin(IV)","","- C22 H46 N2 O4 S4 Sn -","- C22 H46 N2 O4 S4 Sn -","- C88 H184 N8 O16 S16 Sn4 -","4","0.5","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV) and [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0665","0.0483","","","0.1143","0.1282","","","","","","1.046","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311563","7.6258","0.0003","10.2178","0.0003","14.8621","0.0006","91.976","0.003","90.655","0.003","107.875","0.003","1101.19","0.07","148","2","148","2","","","","","","","","6","P -1","-P 1","2","","[<i>N</i>-(2-Methoxyethyl)-<i>N</i>-methyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']triphenyltin(IV)","","- C23 H25 N O S2 Sn -","- C23 H25 N O S2 Sn -","- C46 H50 N2 O2 S4 Sn2 -","2","1","HB7731","Mohamad, Rapidah; Awang, Normah; Kamaludin, Nurul Farahana; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures and Hirshfeld surface analyses of bis-[<i>N</i>,<i>N</i>-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']di-<i>n</i>-butyl-tin(IV) and [<i>N</i>-(2-meth-oxy-eth-yl)-<i>N</i>-methyl-dithio-carbamato-κ<sup>2</sup><i>S</i>,<i>S</i>']tri-phenyl-tin(IV).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","302","308","10.1107/S2056989018001901","","","0.71073","MoKα","","0.0427","0.0397","","","0.1108","0.1138","","","","","","1.088","","","","has coordinates","245985","2020-10-21","18:00:00",""
"2311564","9.6074","0.0002","25.4943","0.0006","17.4326","0.0003","90","","95.152","0.002","90","","4252.59","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[4-<i>tert</i>-Butyl-2,6-bis(1-pentyl-1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)phenyl-κ<i>C</i>^1^]tellurium(II) (1,4-dioxane)triiodidomercurate(II)","","- C38 H49 Hg I3 N4 O2 Te -","- C38 H49 Hg I3 N4 O2 Te -","- C152 H196 Hg4 I12 N16 O8 Te4 -","4","1","ZS2398","Rani, Varsha; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of an aryl-tellurenium(II) cation; [4-<i>tert</i>-butyl-2,6-bis-(1-pentyl-1<i>H</i>-benz-imidazol-2-yl-κ<i>N</i><sup>3</sup>)phenyl-κ<i>C</i><sup>1</sup>]tellurium(II) (1,4-dioxane)tri-iodido-mercurate(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","390","393","10.1107/S2056989018002645","","","0.71073","MoKα","","0.0491","0.0414","","","0.077","0.0795","","","","","","1.137","","","","has coordinates","245986","2020-10-21","18:00:00",""
"2311565","9.217","0.002","9.217","0.002","22.646","0.002","90","","90","","120","","1666.1","0.5","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Sodium chromium/aluminium molybdenum/aluminium dodecaoxide","","- Al1.762 Cr0.476 Mo2.763 Na0.72 O12 -","- Al1.762 Cr0.476 Mo2.763 Na0.724 O12 -","- Al10.572 Cr2.856 Mo16.578 Na4.344 O72 -","6","0.166667","VN2134","Sonni, Manel; Jendoubi, Imen; Zid, Mohamed Faouzi","Elaboration, structural study and validation of a new NASICON-type structure, Na<sub>0.72</sub>(Cr<sub>0.48</sub>,Al<sub>1.52</sub>)(Mo<sub>2.77</sub>,Al<sub>0.23</sub>)O<sub>12</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","406","409","10.1107/S2056989018003031","","","0.71073","MoKα","","0.0135","0.0127","","","0.0236","0.0239","","","","","","1.254","","","","has coordinates","245987","2020-10-21","18:00:00",""
"2311566","13.75102","0.00008","9.50887","0.00005","9.06168","0.00005","90","","90","","90","","1184.88","0.011","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Calcium perchlorate anhydrate","Calcium bis(perchlorate)","","- Ca Cl2 O8 -","- Ca Cl2 O8 -","- Ca8 Cl16 O64 -","8","1","WM5437","Lee, Dongmin; Bu, Hyeri; Kim, Dohwan; Hyoung, Jooeun; Hong, Seung-Tae","Crystal structure of calcium perchlorate anhydrate, Ca(ClO<sub>4</sub>)<sub>2</sub>, from laboratory powder X-ray diffraction data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","514","517","10.1107/S2056989018003936","powder diffraction","","1.5405","Cukα~1~","","","","","","","","","","1.9","","","","","","","has coordinates","245988","2020-10-21","18:00:00",""
"2311567","35.297","0.003","9.3902","0.0006","8.3603","0.0005","90","","90","","90","","2771","0.3","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","","2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-Phenylenebis(azanylylidene)]bis(methanylylidene)}bis(5-benzyloxy)phenol","","- C34 H28 N2 O4 -","- C34 H28 N2 O4 -","- C136 H112 N8 O16 -","4","0.5","","Ghichi, Nadir; Benboudiaf, Ali; DJebli, Yacine; Bensouici, Chawki; Merazig, Hocine","Crystal structure, Hirshfeld surface analysis and anti-oxidant capacity of 2,2'-{(1<i>E</i>,1'<i>E</i>)-[1,2-phenyl-enebis(aza-nylyl-idene)]bis-(methanylyl-idene)}bis-(5-benz-yloxy)phenol.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","682","686","10.1107/S2056989018005832","","","0.71073","MoKα","","0.0857","0.0527","","","0.1367","0.1582","","","","","","1.015","","","","has coordinates","245989","2020-10-21","18:00:00",""
"2311568","7.4028","0.0005","7.4432","0.0005","22.4616","0.0015","97.255","0.005","90.274","0.005","114.784","0.005","1112.36","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Bis[(5-chloro-2-oxo-2,3-dihydrobenzo[<i>d</i>]oxazol-3-yl)methyl]-2-phenylethanamine","","- C24 H19 Cl2 N3 O4 -","- C24 H19 Cl2 N3 O4 -","- C48 H38 Cl4 N6 O8 -","2","1","WM5440","Aydın, Abdullah; Soyer, Zeynep; Akkurt, Mehmet; Büyükgüngör, Orhan","Crystal structure and theoretical study of <i>N</i>,<i>N</i>-bis-[(5-chloro-2-oxo-2,3-di-hydro-benzo[<i>d</i>]oxazol-3-yl)meth-yl]-2-phenyl-ethanamine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","757","760","10.1107/S2056989018005984","","","0.71073","MoKα","","0.1163","0.0433","","","0.0724","0.089","","","","","","0.87","","","","has coordinates","245990","2020-10-21","18:00:00",""
"2311569","15.3991","0.001","7.9078","0.0005","15.7645","0.001","90","","113.037","0.001","90","","1766.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-3-methyl-1,4-dihydropyridin-4-iminium bromide","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C80 H76 Br4 N8 O4 -","4","1","XU5923","Sheshadri, S. N.; Kwong, Huey Chong; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.; Hamid, Muhammad Aiman Bin Abd; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1'-biphen-yl]-4-yl)-2-oxoeth-yl]-3-methyl-1,4-di-hydro-pyridin-4-iminium bromide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","752","756","10.1107/S2056989018006217","","","0.71073","MoKα","","0.0407","0.0295","","","0.0696","0.075","","","","","","1.031","","","","has coordinates","245991","2020-10-21","18:00:00",""
"2311570","8.2706","0.0004","8.7726","0.0004","13.6433","0.0007","76.091","0.002","74.61","0.002","87.97","0.002","925.98","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-(2,4-Dichlorobenzyl)-5-methyl-<i>N</i>-(thiophene-2-sulfonyl)-1<i>H</i>-pyrazole-3-carboxamide","","- C16 H13 Cl2 N3 O3 S2 -","- C16 H13 Cl2 N3 O3 S2 -","- C32 H26 Cl4 N6 O6 S4 -","2","1","RZ5232","Aydin, Abdullah; Akkurt, Mehmet; Gur, Zehra Tugce; Banoğlu, Erden","Crystal structure and Hirshfeld surface analysis of 1-(2,4-di-chloro-benz-yl)-5-methyl-<i>N</i>-(thio-phene-2-sulfon-yl)-1<i>H</i>-pyrazole-3-carboxamide.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 5","747","751","10.1107/S2056989018006242","","","0.71073","MoKα","","0.061","0.0561","","","0.15","0.1554","","","","","","1.03","","","","has coordinates,has disorder","245992","2020-10-21","18:00:00",""
"2311571","6.0569","0.0005","9.5801","0.0005","11.9941","0.0008","72.867","0.002","84.649","0.002","86.71","0.002","661.86","0.08","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one] <i>N</i>,<i>N</i>-dimethylformamide disolvate","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","1","0.5","XU5924","Kwong, Huey Chong; Sim, Ai Jia; Chidan Kumar, C. S.; Quah, Ching Kheng; Chantrapromma, Suchada; Naveen, S.; Warad, Ismail","Synthesis, spectroscopic and Hirshfeld surface analysis and fluorescence studies of (2<i>E</i>,2'<i>E</i>)-3,3'-(1,4-phenyl-ene)bis-[1-(4-hy-droxy-phen-yl)prop-2-en-1-one] <i>N</i>,<i>N</i>-di-methyl-formamide disolvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","835","839","10.1107/S2056989018007429","","","0.71073","MoKα","","0.0927","0.0573","","","0.156","0.1771","","","","","","1.072","","","","has coordinates","245993","2020-10-21","18:00:00",""
"2311572","14.156","0.005","5.0111","0.0016","15.535","0.005","90","","104.316","0.005","90","","1067.8","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TrifluoroBromoacetophenone","1-[3,5-Bis(trifluoromethyl)phenyl]-2-bromoethan-1-one","","- C10 H5 Br F6 O -","- C10 H5 Br F6 O -","- C40 H20 Br4 F24 O4 -","4","1","DS2250","Chandrashekharappa, Sandeep; Bairagi, Keshab M.; Mohan, Mahendra K.; Mohanlall, Viresh; Kasumbwe, Kabange; Venugopala, Katharigatta N.; Nayak, Susanta K.","Crystal structure of 1-[3,5-bis-(tri-fluoro-meth-yl)phen-yl]-2-bromo-ethan-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 6","868","870","10.1107/S2056989018007478","","","0.71073","MoKα","","0.0719","0.0413","","","0.0916","0.1033","","","","","","1.031","","","","has coordinates","245994","2020-10-21","18:00:00",""
"2311573","11.3566","0.0004","12.3251","0.0002","23.7557","0.0008","90","","93.273","0.003","90","","3319.69","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Acetonitrile-κ<i>N</i>)tris(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) acetonitrile disolvate","","- C26 H27 Co N11 S5 -","- C26 H27 Co N11 S5 -","- C104 H108 Co4 N44 S20 -","4","1","WM5443","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0433","0.0321","","","0.0757","0.0795","","","","","","1.037","","","","has coordinates,has disorder","245995","2020-10-21","18:00:00",""
"2311574","10.452","0.0003","14.5934","0.0004","15.058","0.0005","101.553","0.002","97.105","0.002","106.417","0.002","2118.43","0.12","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Tetrakis(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)nickel(II) methanol pentasolvate","","- C31 H44 N10 Ni O5 S6 -","- C31 H44 N10 Ni O5 S6 -","- C62 H88 N20 Ni2 O10 S12 -","2","1","","Neumann, Tristan; Jess, Inke; Näther, Christian","Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","964","969","10.1107/S2056989018007612","","","0.71073","MoKα","","0.0469","0.0393","","","0.1058","0.1094","","","","","","1.064","","","","has coordinates","245995","2020-10-21","18:00:00",""
"2311575","9.0491","0.0004","8.3257","0.0004","20.2857","0.0009","90","","99.484","0.001","90","","1507.44","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(3-Chlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","XU5927","Sheshadri, S. N.; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Quah, Ching Kheng; Siddaraju, B. P.; Veeraiah, M. K.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(3-chloro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","935","938","10.1107/S205698901800837X","","","0.71073","MoKα","","0.074","0.0485","","","0.1352","0.1579","","","","","","1.006","","","","has coordinates","245996","2020-10-21","18:00:00",""
"2311576","9.4939","0.0005","18.5548","0.001","9.5068","0.0005","90","","96.788","0.003","90","","1662.95","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-1-[4-Hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","RZ5238","Yesilyurt, Fatma; Aydin, Abdullah; Gul, Halise Inci; Akkurt, Mehmet; Ozcelik, Nefise Dilek","Crystal structure and theoretical study of (2<i>E</i>)-1-[4-hy-droxy-3-(morpholin-4-ylmeth-yl)phen-yl]-3-(thio-phen-2-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","960","963","10.1107/S2056989018008459","","","0.71073","MoKα","","0.0609","0.0495","","","0.1274","0.1379","","","","","","1.031","","","","has coordinates","245997","2020-10-21","18:00:00",""
"2311577","6.047","0.003","6.047","0.003","16.479","0.009","90","","90","","120","","521.8","0.5","298","2","298","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Dibarium dipotassium nonaoxidoditellurate","","- Ba2 K2 O9 Te2 -","- Ba2 K2 O9 Te2 -","- Ba4 K4 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0186","0.0153","","","0.0348","0.0359","","","","","","1.15","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311578","5.9625","0.0003","5.9625","0.0003","14.9396","0.0008","90","","90","","120","","459.97","0.04","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Dibarium potassium sodium nonaoxidoditellurate","","- Ba2 K Na O9 Te2 -","- Ba2 K Na O9 Te2 -","- Ba4 K2 Na2 O18 Te4 -","2","0.0833333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0192","0.0177","","","0.0335","0.0339","","","","","","1.491","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311579","8.3536","0.0014","8.3536","0.0014","8.3536","0.0014","90","","90","","90","","582.94","0.17","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Dibarium calcium hexaoxidotellurate","","- Ba2 Ca O6 Te -","- Ba2 Ca O6 Te -","- Ba8 Ca4 O24 Te4 -","4","0.0208333","PJ2054","Weil, Matthias","Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1006","1009","10.1107/S2056989018009064","","","0.71073","MoKα","","0.0194","0.0194","","","0.0486","0.0486","","","","","","1.325","","","","has coordinates","245998","2020-10-21","18:00:00",""
"2311580","3.9564","0.0008","13.367","0.002","25.173","0.005","90","","93.363","0.004","90","","1329","0.4","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(2-Chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl3 F O S -","- C13 H6 Cl3 F O S -","- C52 H24 Cl12 F4 O4 S4 -","4","1","XU5930","Sanjeeva Murthy, T. N.; Naveen, S.; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.; Warad, Ismail","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-(2-chloro-4-fluoro-phen-yl)-1-(2,5-di-chloro-thio-phen-3-yl)prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1134","1137","10.1107/S2056989018010216","","","0.71073","MoKα","","0.1109","0.0756","","","0.1984","0.2176","","","","","","1.036","","","","has coordinates","245999","2020-10-21","18:00:00",""
"2311581","11.006","0.0006","20.7269","0.0011","7.6213","0.0004","90","","97.468","0.002","90","","1723.83","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium 4-methylbenzenesulfonate","","- C16 H17 N5 O3 S -","- C16 H17 N5 O3 S -","- C64 H68 N20 O12 S4 -","4","1","JJ2200","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson","Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-phenyl-1,3,5-triazin-1-ium 4-methyl-benzene-sulfonate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 8","1159","1162","10.1107/S2056989018010368","","","0.71073","MoKα","","0.0661","0.0487","","","0.136","0.151","","","","","","1.014","","","","has coordinates","246000","2020-10-21","18:00:00",""
"2311582","8.0279","0.0005","10.8496","0.0005","15.1239","0.0008","102.228","0.002","96.148","0.002","102.764","0.002","1239.11","0.12","293","","293","","","","","","","","","5","P -1","-P 1","2","","Tetraaquatrinitratoneodymium(III)‒3-amino-1,2,4-triazine (1:3)","","- C9 H20 N15 Nd O13 -","- C9 H20 N15 Nd O13 -","- C18 H40 N30 Nd2 O26 -","2","1","CQ2026","Sangeetha, Ramalingam; Balasubramani, Kasthuri; Jose Kavitha, Savaridasson; Hemamalini, Madhukumar","Crystal structure and Hirshfeld surface analysis of the 1:3 adduct of tetra-aqua-trinitrato-neodymium(III) with 3-amino-1,2,4-triazine.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 9","1309","1313","10.1107/S2056989018011714","","","0.71073","MoKα","","0.0213","0.019","","","0.0461","0.047","","","","","","1.051","","","","has coordinates","246001","2020-10-21","18:00:00",""
"2311583","6.7083","0.0004","7.2414","0.0005","17.2768","0.0013","90","","92.153","0.006","90","","838.67","0.1","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","<i>trans</i>-Aqua[<i>N</i>,<i>N</i>'-bis(salicylidene)ethane-1,2-diamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chloridomanganese(III) monohydrate","<i>trans</i>-Aquachlorido{2,2'[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) monohydrate","","- C16 H18 Cl Mn N2 O4 -","- C16 H18 Cl Mn N2 O4 -","- C32 H36 Cl2 Mn2 N4 O8 -","2","1","VN2136","Reyes Perea, Juan Alberto; Bernès, Sylvain; Quintero Téllez, Ma Guadalupe","Packing polymorphism in the structure of <i>trans</i>-aqua-[<i>N</i>,<i>N</i>'-bis-(salicyl-idene)ethane-1,2-di-amine-κ<sup>4</sup><i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']chlorido-manganese(III) monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 12","1778","1782","10.1107/S2056989018015694","","x-ray","0.71073","MoKα","","0.0447","0.0368","","","0.0672","0.0721","","","","","","1.063","","","","has coordinates","246002","2020-10-21","18:00:00",""
"2311974","7.356","0.0009","11.589","0.0015","12.0655","0.0015","73.757","0.002","88.232","0.002","83.876","0.002","981.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(2,6-diamino-7<i>H</i>-purin-1-ium-κ<i>N</i>^9^)bis(4,4'-oxydibenzoato-κ<i>O</i>)cobalt(II) dihydrate","","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","1","0.5","SK3675","Atria, Ana María; Parada, José; Moreno, Yanko; Suárez, Sebastián; Baggio, Ricardo; Peña, Octavio","Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN<sup>9</sup>)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","37","44","10.1107/S2053229617016916","","","0.71073","MoKα","","0.0373","0.034","","","0.0844","0.0869","","","","","","1.031","","","","has coordinates","246195","2020-10-21","18:00:00",""
"2311975","11.965","0.005","12.595","0.002","13.667","0.003","114.497","0.003","106.139","0.004","93.912","0.004","1760.2","0.9","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","2","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0626","0.0322","","","0.0732","0.0804","","","","","","0.926","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311976","9.082","0.002","13.024","0.003","14.266","0.003","90","","101.467","0.003","90","","1653.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(<i>Z</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(<i>Z</i>)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","1","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0484","0.0299","","","0.0691","0.0752","","","","","","1.036","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311977","9.637","0.003","5.564","0.005","13.763","0.002","90","","103.497","0.006","90","","717.6","0.7","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.0226","0.0175","","","0.0454","0.0481","","","","","","1.18","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311978","9.627","0.003","5.558","0.005","13.732","0.002","90","","103.514","0.006","90","","714.4","0.7","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr<sub>3</sub>W<sub>2</sub>O<sub>9</sub>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.018","0.0156","","","0.0422","0.0432","","","","","","1.01","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311979","8.5852","0.0002","17.0639","0.0004","5.9883","0.0002","90","","106.936","0.003","90","","839.22","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentachloropyridine <i>N</i>-oxide","","- C5 Cl5 N O -","- C5 Cl5 N O -","- C20 Cl20 N4 O4 -","4","1","UK3147","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide-N-oxide interactions and Cl...Cl halogen bonds in pentachloropyridine N-oxide: the many-body approach to interactions in the crystal state.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","113","119","10.1107/S2053229617017922","","","1.54184","CuKα","","0.0364","0.0316","","","0.0816","0.0848","","","","","","1.037","","","","has coordinates","246198","2020-10-21","18:00:00",""
"2311980","5.4214","0.0007","5.4214","0.0007","5.4214","0.0007","90","","90","","90","","159.34","0.04","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Ce0.8 Ga0.1 Ho0.1 O1.9","Cerium gadolinium holmium oxide","","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce3.2 Gd0.4 Ho0.4 O7.6 -","4","0.0208333","SK3674","Rahayu, Sri; Forrester, Jennifer S.; Kale, Girish M.; Ghadiri, Mojtaba","Promising solid electrolyte material for an IT-SOFC: crystal structure of the cerium gadolinium holmium oxide Ce<sub>0.8</sub>Gd<sub>0.1</sub>Ho<sub>0.1</sub>O<sub>1.9</sub> between 295 and 1023 K.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","236","239","10.1107/S2053229617017946","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.19","","","","","","","has coordinates","246227","2020-10-21","18:00:00",""
"2311981","9.637","0.0009","18.0065","0.0018","12.4723","0.0013","90","","109.396","0.003","90","","2041.5","0.4","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C20 H20 N4 Ni O4 S -","- C20 H20 N4 Ni O4 S -","- C80 H80 N16 Ni4 O16 S4 -","4","1","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.044","0.0345","","","0.0848","0.0927","","","","","","1.085","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311982","9.0147","0.0004","18.5456","0.0007","9.6355","0.0004","90","","108.191","0.001","90","","1530.38","0.11","200","2","200.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>-bis[tris(pyridine-κ<i>N</i>)copper(II)]","","- C30 H30 Cu2 N6 O8 S2 -","- C30 H30 Cu2 N6 O8 S2 -","- C60 H60 Cu4 N12 O16 S4 -","2","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0264","0.0218","","","0.0524","0.0546","","","","","","1.061","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311983","10.5383","0.001","10.5383","0.001","26.135","0.003","90","","90","","120","","2513.6","0.4","200","2","200","","","","","","","","","6","P 31 2 1","P 31 2""","152","","<i>catena</i>-Poly[[tetrakis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'-[bis(pyridine-κ<i>N</i>)zinc(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']","","- C30 H30 N6 O8 S2 Zn2 -","- C30 H30 N6 O8 S2 Zn2 -","- C90 H90 N18 O24 S6 Zn6 -","3","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)<sub>x</sub>M](SO<sub>4</sub>) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0196","0.0177","","","0.0445","0.0453","","","","","","1.005","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311984","15.527","0.0005","7.46802","0.00001","17.0254","0.0005","90","","116.528","0.004","90","","1766.35","0.1","105","2","105","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","3,4-Dimethylpyridine‒3,4-dimethylpyridinium diiodidoaurate(I)","","- C14 H19 Au I2 N2 -","- C14 H19 Au I2 N2 -","- C56 H76 Au4 I8 N8 -","4","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.027","0.0207","","","0.0396","0.0411","","","","","","1.098","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311985","7.7528","0.0002","14.5978","0.0005","14.4806","0.0004","90","","102.552","0.003","90","","1599.66","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0343","0.0265","","","0.0458","0.0482","","","","","","1.034","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311986","7.741","0.0002","14.6209","0.0003","14.0721","0.0006","90","","92.155","0.003","90","","1591.56","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0422","0.0359","","","0.0781","0.0806","","","","","","1.107","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311987","7.1692","0.0003","14.2434","0.0006","14.7445","0.0006","90","","90","","90","","1505.62","0.11","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","Dipyridinegold(I) diiodidoaurate(I)","","- C10 H10 Au2 I2 N2 -","- C10 H10 Au2 I2 N2 -","- C40 H40 Au8 I8 N8 -","4","0.5","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)<sub>2</sub>H]<sup>+</sup>·[AuI<sub>2</sub>]<sup>-</sup> and of two polymorphs of [(3,4-lut)<sub>2</sub>H<sup>+</sup>]<sub>2</sub>·[AuI<sub>2</sub>]<sup>-</sup>·I<sup/>.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0305","0.0251","","","0.0532","0.0555","","","","","","1.072","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311988","7.252","0.0003","19.7485","0.001","14.0347","0.0006","90","","95.058","0.002","90","","2002.17","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-3-(4-methylphenyl)-1-phenylallylidene]hydrazine","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C88 H72 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0906","0.0556","","","0.1431","0.17","","","","","","1.063","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311989","7.3922","0.0004","20.9233","0.0014","14.7828","0.0009","90","","100.571","0.002","90","","2247.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-1-[(<i>E</i>)-3-(4-Chlorophenyl)-1-(naphthalen-1-yl)allylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C25 H17 Cl N4 O4 -","- C25 H17 Cl N4 O4 -","- C100 H68 Cl4 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0935","0.0525","","","0.1418","0.1665","","","","","","1.022","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311990","25.1247","0.0008","10.7583","0.0003","18.5442","0.0005","90","","121.835","0.003","90","","4258.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1D-octamolybdate Chain","Tris(triethylaminium) hemi(dopentacontaoxidopotassiohexadecamolybdate) monohydrate","","- C18 H50 K Mo8 N3 O27 -","- C18 H50 K Mo8 N3 O27 -","- C72 H200 K4 Mo32 N12 O108 -","4","0.5","JR3006","Paul, Shounik; Sreejith, S. S.; Roy, Soumyajit","pH-induced phase transition and crystallization of soft-oxometalates (SOMs) into polyoxometalates (POMs): a study on crystallization from colloids.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 11","1274","1283","10.1107/S2053229618007143","","","0.71073","MoKα","","0.0261","0.0229","","","0.0549","0.0564","","","","","","1.063","","","","has coordinates,has disorder","246231","2020-10-21","18:00:00",""
"2311991","10.265","0.0006","8.0342","0.0005","23.4156","0.0013","90","","102.512","0.006","90","","1885.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0672","0.0479","","","0.1215","0.1359","","","","","","1.02","","","","has coordinates","246232","2020-10-21","18:00:00",""
"2311992","10.2458","0.0004","8.007","0.0002","23.3695","0.0008","90","","102.461","0.003","90","","1872.03","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(<i>Z</i>)-2-[(<i>E</i>)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0946","0.0701","","","0.1833","0.2103","","","","","","0.986","","","","has coordinates,has disorder","246232","2020-10-21","18:00:00",""
"2311993","23.1577","0.0011","6.49992","0.00021","6.49067","0.00021","90","","99.6112","0.0029","90","","963.28","0.06","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","lithium rubidium hydrogen citrate hydrate","lithium rubidium hydrogen citrate hydrate","","- C6 H8 Li O8 Rb -","- C6 H8 Li O8 Rb -","- C24 H32 Li4 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","0.06191","","2.22","","","","","","","has coordinates","246233","2020-10-21","18:00:00",""
"2311994","6.5872","0.0008","6.2997","0.0008","9.8321","0.0009","93.898","0.01","106.056","0.009","97.624","0.008","386.27","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","dilithium hydrogen citrate","","","- C6 H6 Li2 O7 -","- C6 H6 Li2 O7 -","- C12 H12 Li4 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.262","","3.08","","","","","","","has coordinates","246234","2020-10-21","18:00:00",""
"2311995","6.5811","0.0004","6.357","0.0004","9.9389","0.0005","91.762","0.005","104.388","0.005","97.438","0.004","398.52","0.04","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium sodium hydrogen citrate","lithium sodium hydrogen citrate","","- C6 H6 Li Na O7 -","- C6 H6 Li Na O7 -","- C12 H12 Li2 Na2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.14161","","2.05","","","","","","","has coordinates","246235","2020-10-21","18:00:00",""
"2311996","6.2771","0.0006","6.3166","0.0006","10.8323","0.0006","93.054","0.007","102.747","0.008","96.054","0.004","415.28","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium potassium hydrogen citrate","lithium potassium hydrogen citrate","","- C6 H6 K Li O7 -","- C6 H6 K Li O7 -","- C12 H12 K2 Li2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.07603","","2.36","","","","","","","has coordinates","246236","2020-10-21","18:00:00",""
"2312024","13.8058","0.0004","13.8058","0.0004","13.8058","0.0004","90","","90","","90","","2631.39","0.13","297","2","297","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","Sodium pentarubidium bis[tris(oxalato)ferrate(III)]","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0536","0.0345","","","0.0582","0.0641","","","","","","1.003","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312025","13.7995","0.0003","13.7995","0.0003","13.7995","0.0003","90","","90","","90","","2627.79","0.1","293","2","293","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","sodium and rubidium tris(oxalate)ferrate(III)","","- C12 Fe2 Na O24 Rb5 -","- C12 Fe2 Na O24 Rb5 -","- C48 Fe8 Na4 O96 Rb20 -","4","0.166667","HB7735","Piro, O. E.; Echeverría, G A; Baran, E. J.","Spontaneous enanti-omorphism in poly-phased alkaline salts of tris-(oxalato)ferrate(III): crystal structure of cubic NaRb<sub>5</sub>[Fe(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>]<sub>2</sub>.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","905","909","10.1107/S2056989018008022","","","0.71073","MoKα","","0.0478","0.0316","","","0.0612","0.0681","","","","","","1.023","","","","has coordinates,has Fobs","246253","2020-10-21","18:00:00",""
"2312026","13.104","0.0004","10.8828","0.0003","15.7167","0.0004","90","","111.57","0.002","90","","2084.37","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)bis(2,4,6-trimethylbenzoato-κ<i>O</i>)manganese(II)","","- C40 H54 Mn N4 O8 -","- C40 H54 Mn N4 O8 -","- C80 H108 Mn2 N8 O16 -","2","0.5","XU5920","Hökelek, Tuncer; Özkaya, Safiye; Necefoğlu, Hacali","Crystal structure and Hirshfeld surface analysis of di-aqua-bis-(<i>N</i>,<i>N</i>-di-ethyl-nicotinamide-κ<i>N</i><sup>1</sup>)bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)manganese(II).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 4","422","427","10.1107/S2056989018003377","","","0.71073","MoKα","","0.0634","0.0477","","","0.1254","0.144","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","258514","2020-10-21","05:09:05",""
"2312113","9.6757","0.0008","10.0381","0.0008","11.4947","0.001","90","","112.489","0.006","90","","1031.53","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) succinate","Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)cobalt(II) butanedioate","","- C16 H24 Co N4 O10 -","- C16 H24 Co N4 O10 -","- C32 H48 Co2 N8 O20 -","2","0.5","SU5446","Kansiz, Sevgi; Malinkin, Sergey; Dege, Necmi","Synthesis, crystal structure and Hirshfeld surface analysis of tetra-aqua-bis-(isonicotinamide-κ<i>N</i><sup>1</sup>)cobalt(II) succinate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","1026","1029","10.1107/S2056989018008861","","","0.71073","MoKα","","0.0466","0.0337","","","0.0822","0.0868","","","","","","1.017","","","","has coordinates,has Fobs","283998","2023-05-25","02:03:28",""
"2312114","8.4027","0.0008","12.8657","0.0013","14.4266","0.0014","113.144","0.002","91.133","0.002","105.501","0.002","1368.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Bis(tert-butyldimethylsilyloxy)dioxomolybdenum(2,2'-bipyridyl)","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-bis(<i>tert</i>-\ butyldimethylsilyloxy)-<i>cis</i>-dioxiomolybdenum(VI)","","- C22 H38 Mo N2 O4 Si2 -","- C22 H38 Mo N2 O4 Si2 -","- C44 H76 Mo2 N4 O8 Si4 -","2","1","","Minyaev, Mikhail E.; Vinogradov, Alexander A.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Crystal structure of (2,2'-bi-pyridine-κ<sup>2</sup><i>N</i>,<i>N</i>')-<i>trans</i>-bis-(<i>tert</i>-butyl-dimethyl-sil-yloxy)-<i>cis</i>-dioxidomolybdenum(VI).","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","970","972","10.1107/S2056989018008472","","","0.71073","MoKα","","0.0543","0.0343","","","0.0686","0.0747","","","","","","1.007","","","","has coordinates,has Fobs","283999","2023-05-25","02:03:53",""
"2312115","25.7341","0.0003","25.7341","0.0003","124.079","0.004","90","","90","","120","","71162","3","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","Triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver","","- C210 H150 Ag32 Au12 O60 S30 -","- C210 H150 Ag32 Au12 O60 S30 -","- C1260 H900 Ag192 Au72 O360 S180 -","6","0.166667","WM5444","Conn, Brian E.; Bhattarai, Badri; Atnagulov, Aydar; Yoon, Bokwon; Landman, Uzi; Bigioni, Terry P.","<i>M</i><sub>4</sub>Au<sub>12</sub>Ag<sub>32</sub>(<i>p</i>-MBA)<sub>30</sub> (<i>M</i> = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","987","993","10.1107/S2056989018008393","","","1.54178","CuKα","","0.0464","0.0398","","","0.1326","0.1393","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","284000","2023-05-25","02:05:48",""
"2312116","13.0162","0.0005","13.6078","0.0005","18.3382","0.0007","90","","99.937","0.002","90","","3199.4","0.2","150","","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>mer</i>-Tris[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)pyrimidine-κ^2^<i>N</i>^1^]ruthenium(II) bis(hexafluoridophosphate) trihydrate","","- C21 H18 F12 N12 O3 P2 Ru -","- C21 H18 F12 N12 O3 P2 Ru -","- C84 H72 F48 N48 O12 P8 Ru4 -","4","1","WM5447","Bibi, Naheed; Guerra, Renan Barrach; Huamaní, Luis Enrique Santa Cruz; Formiga, André Luiz Barboza","Crystal structure, electrochemical and spectroscopic investigation of <i>mer</i>-tris-[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i><sup>3</sup>)pyrimidine-κ<i>N</i><sup>1</sup>]ruthenium(II) bis-(hexa-fluorido-phosphate) trihydrate.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","874","877","10.1107/S2056989018007995","","","1.54178","CuKα","","0.0866","0.0788","","","0.2174","0.2293","","","","","","1.076","","","","has coordinates,has Fobs","284001","2023-05-25","02:06:29",""
"2312117","11.1441","0.001","18.087","0.0017","16.9621","0.0016","90","","106.246","0.001","90","","3282.4","0.5","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-[1,2-Bis(diphenylphosphanyl)ethene-κ^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) chloroform disolvate","","- C28 H24 Cl8 P2 Pt -","- C28 H24 Cl8 P2 Pt -","- C112 H96 Cl32 P8 Pt4 -","4","1","","Mugemana, Jimmy; Bender, John; Staples, Richard J.; Biros, Shannon M.","Crystal structure of <i>cis</i>-[1,2-bis-(di-phenyl-phosphan-yl)ethene-κ<sup>2</sup><i>P</i>,<i>P</i>']di-chlorido-platinum(II) chloro-form disolvate: a new polymorph.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 7","998","1001","10.1107/S2056989018008836","","","0.71073","MoKα","","0.0789","0.0419","","","0.0996","0.1221","","","","","","1.03","","","","has coordinates,has Fobs","284002","2023-05-25","02:07:04",""
"3000166","4.83198","","4.83198","","24.15069","","90","","90","","120","","488.327","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","La Mg2 Ni5 Al4","","","- Al4 La Mg2 Ni5 -","- Al3.9996 La Mg2 Ni4.9995 -","- Al11.9988 La3 Mg6 Ni14.9985 -","3","0.0833333","","Hassen Jaafar; Luc Aymard; Walid Dachraoui; Arnaud Demortiere; Mohieddine Abdellaoui","Preparation and characterization of mechanically alloyed AB3-type based material LaMg2Ni5Al4 and its solid-gaz hydrogen storage reaction","Journal of Solid State Chemistry","2018","260","","73","79","10.1016/j.jssc.2018.01.015","","","","","","","","","","","","","","","","","","","","","has coordinates","289237","2024-01-31","13:42:38",""
"3000167","4.6226","0.001","12.6213","0.003","5.0321","0.001","90","","90","","90","","293.59","0.11","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Sr (Al D5)","","- Al D5 Sr -","- Al D5 Sr -","- Al4 D20 Sr4 -","4","0.5","","Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi","Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction","Crystals","2018","8","","89","","10.3390/cryst8020089","","","","","","","","","","","","","","","","","","","","","has coordinates","206345","2020-10-21","18:00:00",""
"3000174","24.4901","0.0004","24.4901","0.0004","24.4901","0.0004","90","","90","","90","","14688.3","0.4","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al4.8 Na0.7 O24 Si7.2 -","- Al4.8 Na0.704 O24.318 Si7.2 -","- Al76.8 Na11.264 O389.088 Si115.2 -","16","0.0833333","","Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga","On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite","Physical Chemistry Chemical Physics","2018","27","","18503","","10.1039/c8cp01788c","","","","","","","","","","","","","","","","","","","","","has coordinates","250502","2020-10-21","18:00:00",""
"3000175","24.4379","0.0004","24.4379","0.0004","24.4379","0.0004","90","","90","","90","","14594.6","0.4","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al4.8 Mg0.45 O25.1 Si7.2 -","- Al4.8 Mg0.454 O25.096 Si7.2 -","- Al76.8 Mg7.264 O401.536 Si115.2 -","16","0.0833333","","Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga","On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite","Physical Chemistry Chemical Physics","2018","27","","18503","","10.1039/c8cp01788c","","","","","","","","","","","","","","","","","","","","","has coordinates","250503","2020-10-21","18:00:00",""
"3000198","5.0309","0.0003","12.2147","0.0016","4.2738","0.0004","90","","90","","90","","262.63","0.05","325","6","325","6","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.13 Ge -","- Ba D0.131 Ge -","- Ba4 D0.524 Ge4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.033","2.68","","","","","","","has coordinates","211345","2020-10-21","18:00:00",""
"3000203","10.51452","0.00006","10.51452","0.00006","6.59148","0.00008","90","","90","","120","","631.092","0.009","298","","298","","","","1","","","","","3","P 3 2 1","P 3 2""","150","Tetralithium thiodiphosphate","Tetralithium thiodiphosphate","","- Li4 P2 S6 -","- Li4 P2 S6 -","- Li12 P6 S18 -","3","0.5","","Neuberger, Sven; Culver, Sean P; Eckert, Hellmut; Zeier, Wolfgang G; Schmedt Auf der Günne, Jörn","Refinement of the crystal structure of Li<sub>4</sub>P<sub>2</sub>S<sub>6</sub> using NMR crystallography.","Dalton transactions (Cambridge, England : 2003)","2018","47","","11691","11695","10.1039/c8dt02619j","powder diffraction","x-ray","1.54056","CuKα~1~","","3.22","","","","","","","","1.92","","","","","","","has coordinates","210019","2020-10-21","18:00:00",""
"3500074","7.389","0.0015","7.442","0.0015","10.975","0.002","71.73","0.03","78.2","0.03","74.3","0.03","547","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","trans-diamminediaquaplatinum(II) nitrate ‒ 2-oxo-1H-pyrimidine 1:2","","- C12 H26 N8 O10 Pt -","- C12 H26 N8 O10 Pt -","- C12 H26 N8 O10 Pt -","1","0.5","","Jorge A. R. Navarro; Miguel Quirós","trans-diamminediaquaplatinum(II) nitrate ‒ 2-oxo-1H-pyrimidine 1:2","Personal communication to COD","2018","","","","","","","","0.71073","MoKα","","0.0374","0.0374","","","0.1015","0.1015","","","","","","1.014","","","","has coordinates,has Fobs","207820","2020-10-21","18:00:00",""
"3500075","8.9021","0.0009","9.6475","0.001","9.567","0.0009","90","","107.713","0.004","90","","782.69","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","","Miguel N. Moreno-Carretero","","Personal communication to COD","2018","","","","","","","","0.71073","MoKα","","0.0701","0.0456","","","0.1043","0.117","","","","","","1.06","","","","has coordinates,has Fobs","207832","2020-10-21","18:00:00",""
"3500076","5.2771","0.0014","15.911","0.003","4.6211","0.0012","90","","108.58","0.03","90","","367.78","0.17","130","2","130","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","trans-2,5,7,10-Tetra-azabicyclo(4.4.0)decane","","- C6 H14 N4 -","- C6 H14 N4 -","- C12 H28 N8 -","2","0.25","","Maldonado, Ana L.; Flores-Alamo, Marcos","?","Personal communication to COD","2018","","","","","","","","0.71073","MoKα","","0.07","0.0578","","","0.1573","0.1747","","","","","","1.08","","","","has coordinates,has disorder","210964","2020-10-21","18:00:00",""
"4002882","8.28","0.0001","13.9085","0.0002","15.2215","0.0002","78.687","0.001","83.336","0.001","88.497","0.001","1707.26","0.04","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H39 F2 N4 O9 P3 Zr -","- C29 H39 F2 N4 O9 P3 Zr -","- C58 H78 F4 N8 O18 P6 Zr2 -","2","1","","Hassanzadeh Fard, Zohreh; Wong, Norman E.; Malliakas, Christos D.; Ramaswamy, Padmini; Taylor, Jared M.; Otsubo, Kazuya; Shimizu, George K. H.","Superprotonic Phase Change to a Robust Phosphonate Metal‒Organic Framework","Chemistry of Materials","2018","30","2","314","","10.1021/acs.chemmater.7b04467","","","1.54178","CuKα","","0.0316","0.0259","","","0.0641","0.0668","","","","","","1.035","","","","has coordinates","206140","2020-10-21","18:00:00",""
"4002883","20.916","0.004","4.8573","0.0007","19.218","0.004","90","","116.1","0.02","90","","1753.4","0.6","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","0.5","","Samanta, Ranita; Ghosh, Subhrokoli; Devarapalli, Ramesh; Reddy, C. Malla","Visible Light Mediated Photopolymerization in Single Crystals: Photomechanical Bending and Thermomechanical Unbending","Chemistry of Materials","2018","30","3","577","","10.1021/acs.chemmater.7b04756","","x-ray","0.71073","MoKα","","0.1352","0.0813","","","0.1626","0.1921","","","","","","1.041","","","","has coordinates","227518","2020-10-21","18:00:00",""
"4002884","9.99085","0.0003","4.09781","0.00011","9.00711","0.00027","90","","90","","90","","368.757","0.019","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 Se3 -","- Cs Cu5 Se3 -","- Cs2 Cu10 Se6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.57","1.474","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4002885","9.63647","0.00033","3.95467","0.00015","8.94895","0.00024","90","","90","","90","","341.04","0.02","300","","300","","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- Cs Cu5 S3 -","- Cs Cu5 S3 -","- Cs2 Cu10 S6 -","2","0.25","","Xia, Zhiguo; Fang, Huajing; Zhang, Xiuwen; Molokeev, Maxim S.; Gautier, Romain; Yan, Qingfeng; Wei, Su-Huai; Poeppelmeier, Kenneth R.","CsCu5Se3: A Copper-Rich Ternary Chalcogenide Semiconductor with Nearly Direct Band Gap for Photovoltaic Application","Chemistry of Materials","2018","30","3","1121","","10.1021/acs.chemmater.7b05104","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.36","2.642","","","","","","","has coordinates","227517","2020-10-21","18:00:00",""
"4002886","12.9065","0.0006","12.9065","0.0006","5.6194","0.0005","90","","90","","90","","936.07","0.1","294","2","294","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- Ce4 Mo2 O11 -","- Ce4 Mo2 O11 -","- Ce16 Mo8 O44 -","4","0.5","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0445","0.0365","","","0.0875","0.0924","","","","","","1.106","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4002887","11.2272","0.0003","11.2272","0.0003","11.2272","0.0003","90","","90","","90","","1415.19","0.07","303","2","303","2","","","","","","","","3","P n -3 n","-P 4a 2bc 3","222","","","","- La5 Mo3 O16 -","- La5 Mo3 O16 -","- La20 Mo12 O64 -","4","","","Abeysinghe, Dileka; Huq, Ashfia; Yeon, Jeongho; Smith, Mark D.; zur Loye, Hans-Conrad","In Situ Neutron Diffraction Studies of the Flux Crystal Growth of the Reduced Molybdates La4Mo2O11 and Ce4Mo2O11: Revealing Unexpected Mixed-Valent Transient Intermediates and Determining the Sequence of Events during Crystal Growth","Chemistry of Materials","2018","","","","","10.1021/acs.chemmater.8b00072","","","0.71073","MoKα","","0.0451","0.0264","","","0.0681","0.0755","","","","","","1.161","","","","has coordinates","205649","2020-10-21","18:00:00",""
"4002888","10.8675","0.0008","5.1633","0.0004","7.3072","0.0005","90","","90","","90","","410.02","0.05","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cr O6 W Y -","- Cr O6 W Y -","- Cr4 O24 W4 Y4 -","4","1","","Kim, Sun Woo; Emge, Thomas J.; Deng, Zheng; Uppuluri, Ritesh; Collins, Liam; Lapidus, Saul H.; Segre, Carlo U.; Croft, Mark; Jin, Changqing; Gopalan, Venkatraman; Kalinin, Sergei V.; Greenblatt, Martha","YCrWO6: Polar and Magnetic Oxide with CaTa2O6-Related Structure","Chemistry of Materials","2018","30","3","1045","","10.1021/acs.chemmater.7b04941","","","0.71073","MoKα","","0.0211","0.02","","","0.0417","0.042","","","","","","1.114","","","","has coordinates","227516","2020-10-21","18:00:00",""
"4002889","6.6051","0.001","6.6051","0.001","8.087","0.003","90","","90","","120","","305.55","0.13","296","2","296","2","","","","","","","","3","R 3 m :H","R 3 -2""","160","","","","- Cs I O3 -","- Cs I O3 -","- Cs3 I3 O9 -","3","0.166667","","Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie","Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System","Chemistry of Materials","2018","30","3","1136","","10.1021/acs.chemmater.7b05252","","","0.71073","MoKα","","0.0287","0.0287","","","0.0657","0.0657","","","","","","1.266","","","","has coordinates","227515","2020-10-21","18:00:00",""
"4002890","4.476","0.004","7.968","0.008","13.79","0.013","90","","90.11","0.011","90","","491.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs F4 H5 I2 O6 -","- Cs F4 H5 I2 O6 -","- Cs2 F8 H10 I4 O12 -","2","0.5","","Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie","Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System","Chemistry of Materials","2018","30","3","1136","","10.1021/acs.chemmater.7b05252","","","0.71073","MoKα","","0.0744","0.0566","","","0.1108","0.1154","","","","","","1.11","","","","has coordinates","227515","2020-10-21","18:00:00",""
"4002891","12.9152","0.0009","8.3225","0.0005","19.2599","0.0013","90","","103.823","0.001","90","","2010.2","0.2","102","2","102.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F24 Fe4 O26 -","- C16 H16 F24.006 Fe4 O26 -","- C32 H32 F48.012 Fe8 O52 -","2","0.5","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe <sub> <i>x</i> </sub> O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","","0.71073","MoKα","","0.0447","0.0359","","","0.0862","0.0903","","","","","","1.064","","","","has coordinates,has disorder","227511","2020-10-21","18:00:00",""
"4002892","9.201","0.005","10.484","0.006","12.232","0.006","84.9","0.014","71.634","0.014","81.897","0.014","1107.4","1","250","2","250","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F30 Fe3 O24 -","- C20 H12 F30 Fe3 O24 -","- C20 H12 F30 Fe3 O24 -","1","0.5","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe <sub> <i>x</i> </sub> O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.1413","0.0653","","","0.1362","0.1619","","","","","","0.924","","","","has coordinates,has disorder","227511","2020-10-21","18:00:00",""
"4002893","11.9375","0.0002","14.091","0.0003","14.196","0.0003","62.077","0.002","88.228","0.002","79.945","0.002","2073.96","0.08","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0382","0.0359","","","0.0958","0.0973","","","","","","1.043","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002894","11.9522","0.0002","14.1064","0.0002","14.2144","0.0002","62.16","0.002","88.347","0.001","79.902","0.001","2082.49","0.07","130.01","0.1","130.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0409","0.0384","","","0.1018","0.1036","","","","","","1.037","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002895","11.9625","0.0002","14.1206","0.0002","14.2271","0.0002","62.268","0.001","88.459","0.001","79.871","0.001","2089.84","0.06","160","0.1","160","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0379","0.0356","","","0.0955","0.0969","","","","","","1.041","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002896","11.9818","0.0001","14.14","0.0002","14.2552","0.0002","62.38","0.001","88.564","0.001","79.854","0.001","2102.02","0.05","190","0.1","190","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0578","0.048","","","0.1278","0.132","","","","","","1.058","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002897","11.9939","0.0002","14.1432","0.0003","14.2691","0.0002","62.489","0.002","88.677","0.002","79.805","0.002","2108.12","0.08","220","0.1","220","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","- C60 H82 Ag10 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0415","0.0381","","","0.1033","0.1055","","","","","","1.016","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002898","12.0828","0.0002","14.361","0.0002","18.2826","0.0003","68.06","0.002","74.773","0.001","89.569","0.001","2824.76","0.09","99.99","0.1","99.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0819","0.0789","","","0.2118","0.2141","","","","","","1.045","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002899","12.1019","0.0002","14.3774","0.0003","18.2971","0.0003","68.1821","0.0017","74.7855","0.0016","89.6768","0.0015","2836.91","0.1","129.99","0.1","129.99","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0825","0.079","","","0.2135","0.2165","","","","","","1.049","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002900","12.1262","0.0002","14.4073","0.0002","18.3201","0.0002","68.228","0.001","74.923","0.001","89.875","0.001","2854.09","0.07","160","0.1","160","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0778","0.0734","","","0.1996","0.2031","","","","","","1.042","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002901","12.1668","0.0002","14.4398","0.0002","18.3395","0.0003","68.284","0.001","74.967","0.001","89.92","0.001","2874.78","0.08","190","0.1","190","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0799","0.0751","","","0.2081","0.2122","","","","","","1.043","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4002902","12.2045","0.0002","14.4774","0.0003","18.3489","0.0003","68.329","0.002","75.094","0.002","89.57","0.001","2897.67","0.1","220","0.1","220","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","- C68 H90 Ag10 Cl24 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.0783","0.0735","","","0.2023","0.2068","","","","","","1.023","","","","has coordinates,has disorder","227512","2020-10-21","18:00:00",""
"4003089","10.9601","0.0004","13.1817","0.0004","16.0836","0.0004","90","","102.141","0.003","90","","2271.67","0.12","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cu N8 O3 -","- C16 H28 Cu N8 O3 -","- C64 H112 Cu4 N32 O12 -","4","1","","Ji, Li-Jun; Qin, Yan; Gui, Di; Li, Wei; Li, Yanchun; Li, Xiaodong; Lu, Peixiang","Quantifying the Exfoliation Ease Level of 2D Materials via Mechanical Anisotropy","Chemistry of Materials","2018","30","24","8732","","10.1021/acs.chemmater.8b01082","","x-ray","0.71073","MoKα","","0.0614","0.0488","","","0.1185","0.133","","","","","","1.065","","","","has coordinates,has disorder","226199","2020-10-21","18:00:00",""
"4003090","10.1142","0.0006","10.1142","0.0006","4.8988","0.0003","90","","90","","90","","501.13","0.05","295","2","295","2","","","","","","","","4","P 4 b m","P 4 -2ab","100","La2.23Ca1.16Si6N11","","","- Ca1.16 La2.23 N11 Si6 -","- Ca1.18 La2.2144 N11 Si6 -","- Ca2.36 La4.4288 N22 Si12 -","2","0.25","","Maak, Christian; Durach, Dajana; Martiny, Christoph; Schmidt, Peter J.; Schnick, Wolfgang","Narrow-Band Yellow-Orange Emitting La3‒xCa1.5xSi6N11:Eu2+ (x ≈ 0.77): A Promising Phosphor for Next-Generation Amber pcLEDs","Chemistry of Materials","2018","30","10","3552","","10.1021/acs.chemmater.8b01401","","","0.71073","MoKα","","0.0162","0.0162","","","0.0372","0.0372","","","","","","1.176","","","","has coordinates","226200","2020-10-21","18:00:00",""
"4003091","12.4552","0.0009","22.1","0.0015","4.6212","0.0003","90","","90","","90","","1272.03","0.15","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.27 La0.73 Mn4 Sb9 -","- Ca8.276 La0.724 Mn4 Sb9 -","- Ca16.552 La1.448 Mn8 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0309","0.0241","","","0.0505","0.0531","","","","","","1.043","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003092","12.4347","0.0006","22.0664","0.001","4.6189","0.0002","90","","90","","90","","1267.38","0.1","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.16 Ce0.84 Mn4 Sb9 -","- Ca8.168 Ce0.832 Mn4 Sb9 -","- Ca16.336 Ce1.664 Mn8 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0245","0.0205","","","0.0458","0.0473","","","","","","1.102","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003093","12.4143","0.0011","22.059","0.002","4.6139","0.0004","90","","90","","90","","1263.5","0.19","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.15 Mn4 Pr0.85 Sb9 -","- Ca8.156 Mn4 Pr0.844 Sb9 -","- Ca16.312 Mn8 Pr1.688 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0359","0.0279","","","0.0576","0.0608","","","","","","1.051","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003094","12.4062","0.0009","22.0551","0.0015","4.612","0.0003","90","","90","","90","","1261.94","0.15","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca8.11 Mn4 Nd0.89 Sb9 -","- Ca8.132 Mn4 Nd0.868 Sb9 -","- Ca16.264 Mn8 Nd1.736 Sb18 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0288","0.0242","","","0.0532","0.0549","","","","","","1.096","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003095","12.3883","0.0005","22.0164","0.001","4.6077","0.0002","90","","90","","90","","1256.73","0.09","200","2","200","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Ca7.88 Mn4 Sb9 Sm1.12 -","- Ca7.873 Mn4 Sb9 Sm1.127 -","- Ca15.746 Mn8 Sb18 Sm2.254 -","2","0.25","","Wang, Yi; Bobev, Svilen","Rare-Earth Metal Substitutions in Ca9‒xRExMn4Sb9 (RE = La‒Nd, Sm; x ≈ 1). Synthesis and Characterization of a New Series of Narrow-Gap Semiconductors","Chemistry of Materials","2018","30","10","3518","","10.1021/acs.chemmater.8b01316","","","0.71073","MoKα","","0.0287","0.0244","","","0.0535","0.0557","","","","","","1.055","","","","has coordinates","226201","2020-10-21","18:00:00",""
"4003096","10.964","0.0008","10.964","0.0008","24.0838","0.0013","90","","90","","120","","2507.2","0.3","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- B50.96 Sc2.1 -","- B50.958 Sc2.095 -","- B305.748 Sc12.57 -","6","0.166667","","Akopov, Georgiy; Yeung, Michael T.; Roh, Inwhan; Sobell, Zachary C.; Yin, Hang; Mak, Wai H.; Khan, Saeed I.; Kaner, Richard B.","Effects of Dodecaboride-Forming Metals on the Properties of Superhard Tungsten Tetraboride","Chemistry of Materials","2018","30","10","3559","","10.1021/acs.chemmater.8b01464","","","0.71073","MoKα","","0.0416","0.0341","","","0.0906","0.0919","","","","","","1.062","","","","has coordinates","226202","2020-10-21","18:00:00",""
"4003097","10.2458","0.0002","10.2458","0.0002","21.1573","0.0007","90","","90","","90","","2221.02","0.1","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","(μ~2~-di-tert-butyldiphosphine-P,P)́-octacarbonyl-di-iron","","- C16 H20 Fe2 O8 P2 -","- C16 H20 Fe2 O8 P2 -","- C64 H80 Fe8 O32 P8 -","4","0.5","","Schipper, Desmond E.; Zhao, Zhenhuan; Thirumalai, Hari; Leitner, Andrew P.; Donaldson, Samantha L.; Kumar, Arvind; Qin, Fan; Wang, Zhiming; Grabow, Lars C.; Bao, Jiming; Whitmire, Kenton H.","Effects of Catalyst Phase on the Hydrogen Evolution Reaction of Water Splitting: Preparation of Phase-Pure Films of FeP, Fe2P, and Fe3P and Their Relative Catalytic Activities","Chemistry of Materials","2018","30","10","3588","","10.1021/acs.chemmater.8b01624","","","0.71073","MoKα","","0.0365","0.0328","","","0.0784","0.0802","","","","","","1.098","","","","has coordinates,has disorder","226203","2020-10-21","18:00:00",""
"4003098","12.8656","0.0009","13.6192","0.0007","15.3699","0.0009","78.844","0.004","82.313","0.005","64.432","0.006","2379.6","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H61 Cl N3 O2 -","- C56 H61 Cl N3 O2 -","- C112 H122 Cl2 N6 O4 -","2","1","","Pascal, Simon; Getmanenko, Yulia A.; Zhang, Yadong; Davydenko, Iryna; Ngo, Minh Hoang; Pilet, Guillaume; Redon, Sébastien; Bretonnière, Yann; Maury, Olivier; Ledoux-Rak, Isabelle; Barlow, Stephen; Marder, Seth R.; Andraud, Chantal","Design of Near-Infrared-Absorbing Unsymmetrical Polymethine Dyes with Large Quadratic Hyperpolarizabilities","Chemistry of Materials","2018","30","10","3410","","10.1021/acs.chemmater.8b00960","","","0.71069","MoKα","","0.1547","0.1144","","0.133","0.1047","0.0997","","","","","","0.9399","","","","has coordinates","226204","2020-10-21","18:00:00",""
"4003099","10.0077","0.0009","10.0077","0.0009","10.0077","0.0009","90","","90","","90","","1002.31","0.16","10","2","10","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Cu13.7 P29.9 Zn2.4 -","- Ba8 Cu13.742 P29.8568 Zn2.3998 -","- Ba8 Cu13.742 P29.8568 Zn2.3998 -","1","0.0208333","","Dolyniuk, Juli-Anna; Wang, Jian; Marple, Maxwell A. T.; Sen, Sabyasachi; Cheng, Yongqiang; Ramirez-Cuesta, Anibal J.; Kovnir, Kirill","Chemical Bonding and Transport Properties in Clathrates-I with Cu‒Zn‒P Frameworks","Chemistry of Materials","2018","30","10","3419","","10.1021/acs.chemmater.8b00966","","","0.71073","MoKα","","0.0346","0.0299","","","0.0566","0.0575","","","","","","1.279","","","","has coordinates","226205","2020-10-21","18:00:00",""
"4003100","36.379","0.0009","36.379","0.0009","36.379","0.0009","90","","90","","90","","48145","2","180","2","180","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C72 H33 F N6 Ni3 O12 -","- C72 H33 F N6 Ni3 O12 -","- C576 H264 F8 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.1093","0.0727","","","0.196","0.2223","","","","","","1.044","","","","has coordinates,has disorder","226206","2020-10-21","18:00:00",""
"4003101","32.3395","0.0006","32.3395","0.0006","32.3395","0.0006","90","","90","","90","","33822","1.1","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C64.2 H33.3 Co3 F N6 O15 -","- C64.2 H33.3 Co3 F N6 O15 -","- C513.6 H266.4 Co24 F8 N48 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0494","0.0381","","","0.094","0.0995","","","","","","1.035","","","","has coordinates,has disorder","226207","2020-10-21","18:00:00",""
"4003102","32.34","0.004","32.34","0.004","32.34","0.004","90","","90","","90","","33824","7","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C65.01 H30 Co3 F N5.44 O12 -","- C65.01 H30 Co3 F N5.46 O12 -","- C520.08 H240 Co24 F8 N43.68 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.1206","0.0536","","","0.0961","0.1137","","","","","","0.951","","","","has coordinates,has disorder","226208","2020-10-21","18:00:00",""
"4003103","32.3227","0.0011","32.3227","0.0011","32.3227","0.0011","90","","90","","90","","33769","2","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H12 Co3 F N6 O15 -","- C60 H12 Co3 F N6 O15 -","- C480 H96 Co24 F8 N48 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0684","0.042","","","0.0831","0.0905","","","","","","0.978","","","","has coordinates,has disorder","226209","2020-10-21","18:00:00",""
"4003104","32.2073","0.001","32.2073","0.001","32.2073","0.001","90","","90","","90","","33409","1.8","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H49.5 B Co3 F5 N8.5 O16 -","- C63 H36 Co3 F N7.5 O12 -","- C504 H288 Co24 F8 N60 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.1","0.0906","","","0.2471","0.2686","","","","","","1.163","","","","has coordinates,has disorder","226210","2020-10-21","18:00:00",""
"4003105","32.0068","0.001","32.0068","0.001","32.0068","0.001","90","","90","","90","","32788.9","1.8","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H47 B F5 N6 Ni3 O16 -","- C63 H42 F N6 Ni3 O12 -","- C504 H336 F8 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0887","0.0834","","","0.2335","0.245","","","","","","1.18","","","","has coordinates,has disorder","226211","2020-10-21","18:00:00",""
"4003106","35.0946","0.001","35.0946","0.001","35.0946","0.001","90","","90","","90","","43224","2","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C86 H36 B Co3 F5 N6 O16 -","- C72 H48 B Co3 F5 N6 O12 -","- C576 H384 B8 Co24 F40 N48 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0979","0.0888","","","0.2397","0.2654","","","","","","1.208","","","","has coordinates,has disorder","226212","2020-10-21","18:00:00",""
"4003107","32.141","0.002","32.141","0.002","32.141","0.002","90","","90","","90","","33203","4","170","2","170","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C66 H18 F N3 Ni3 O15 -","- C66 H18 F N3 Ni3 O15 -","- C528 H144 F8 N24 Ni24 O120 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.71073","MoKα","","0.0725","0.0502","","","0.121","0.1304","","","","","","1","","","","has coordinates,has disorder","226213","2020-10-21","18:00:00",""
"4003108","34.9443","0.0014","34.9443","0.0014","34.9443","0.0014","90","","90","","90","","42671","3","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C86 H36 B F5 N6 Ni3 O16 -","- C72 H48 B F5 N6 Ni3 O12 -","- C576 H384 B8 F40 N48 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0813","0.0766","","","0.2251","0.2364","","","","","","1.157","","","","has coordinates,has disorder","226214","2020-10-21","18:00:00",""
"4003109","31.9734","0.0009","31.9734","0.0009","31.9734","0.0009","90","","90","","90","","32686.4","1.6","100","2","100","2","","","","","","","","7","I -4 3 m","I -4 2 3","217","","","","- C71 H49.5 B F5 N8.5 Ni3 O16 -","- C63 H36 F N7.5 Ni3 O12 -","- C504 H288 F8 N60 Ni24 O96 -","8","0.166667","","Aulakh, Darpandeep; Islamoglu, Timur; Bagundes, Veronica F.; Varghese, Juby R.; Duell, Kyle; Joy, Monu; Teat, Simon J.; Farha, Omar K.; Wriedt, Mario","Rational Design of Pore Size and Functionality in a Series of Isoreticular Zwitterionic Metal‒Organic Frameworks","Chemistry of Materials","2018","30","22","8332","","10.1021/acs.chemmater.8b03885","","","0.7749","synchrotron","","0.0932","0.0843","","","0.2324","0.2516","","","","","","1.203","","","","has coordinates,has disorder","226215","2020-10-21","18:00:00",""
"4003110","9.8513","0.0003","34.8811","0.001","37.774","0.0011","90","","90.753","0.001","90","","12978.9","0.7","210","2","210","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C68 H94 S8 -","- C68 H94 S8 -","- C544 H752 S64 -","8","2","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1215","0.0761","","","0.1932","0.2245","","","","","","1.089","","","","has coordinates,has disorder","226216","2020-10-21","18:00:00",""
"4003111","9.9128","0.0002","17.3598","0.0004","30.5931","0.0008","90","","96.851","0.001","90","","5227","0.2","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H70 S8 -","- C56 H70 S8 -","- C224 H280 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.0497","0.0473","","","0.1232","0.1251","","","","","","1.076","","","","has coordinates,has disorder","226217","2020-10-21","18:00:00",""
"4003112","9.9871","0.0003","17.3749","0.0005","38.6301","0.0011","90","","90.422","0.0012","90","","6703.1","0.3","210","2","210","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 S8 -","- C72 H102 S8 -","- C288 H408 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1225","0.0913","","","0.181","0.2011","","","","","","1.068","","","","has coordinates,has disorder","226218","2020-10-21","18:00:00",""
"4003113","9.8832","0.0003","17.371","0.0005","34.8132","0.001","90","","91.655","0.0015","90","","5974.3","0.3","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H86 S8 -","- C64 H86 S8 -","- C256 H344 S32 -","4","1","","Burnett, Edmund K.; Cherniawski, Benjamin P.; Rosa, Stephen J.; Smilgies, Detlef-M.; Parkin, Sean; Briseno, Alejandro L.","Breaking the Bimolecular Crystal: The Effect of Side-Chain Length on Oligothiophene/Fullerene Intercalation","Chemistry of Materials","2018","30","8","2550","","10.1021/acs.chemmater.7b04702","","","1.54178","CuKα","","0.1011","0.0767","","","0.2018","0.2196","","","","","","1.123","","","","has coordinates,has disorder","226219","2020-10-21","18:00:00",""
"4003114","9.8567","0.0002","16.4658","0.0004","17.9517","0.0004","66.907","0.002","79.373","0.002","81.276","0.002","2623.94","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","2 in manuscript","","","- C66 H62 O8 -","- C66 H62 O8 -","- C132 H124 O16 -","2","1","","Reinhard, Dennis; Zhang, Wen-Shan; Vaynzof, Yana; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Triptycene-Based Porous Metal-Assisted Salphen Organic Frameworks: Influence of the Metal Ions on Formation and Gas Sorption","Chemistry of Materials","2018","30","8","2781","","10.1021/acs.chemmater.8b00614","","","1.54178","CuKα","","0.0502","0.0434","","","0.0989","0.1045","","","","","","1.066","","","","has coordinates","226220","2020-10-21","18:00:00",""
"4003115","11.1877","0.0002","13.8776","0.0003","23.4581","0.0004","76.102","0.001","85.644","0.002","66.973","0.001","3253.08","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3 in manuscript","","","- C71 H53 Cl9 O12 -","- C71 H53 Cl9 O12 -","- C142 H106 Cl18 O24 -","2","1","","Reinhard, Dennis; Zhang, Wen-Shan; Vaynzof, Yana; Rominger, Frank; Schröder, Rasmus R.; Mastalerz, Michael","Triptycene-Based Porous Metal-Assisted Salphen Organic Frameworks: Influence of the Metal Ions on Formation and Gas Sorption","Chemistry of Materials","2018","30","8","2781","","10.1021/acs.chemmater.8b00614","","","1.54178","CuKα","","0.0513","0.0461","","","0.1206","0.1256","","","","","","1.042","","","","has coordinates,has disorder","226220","2020-10-21","18:00:00",""
"4003116","28.36","0.001","28.36","0.001","40.788","0.002","90","","90","","120","","28410","2","100","0.1","100","0.1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C198 H153 Ag28 O3 P7 Pt S24 -","- C198 H153 Ag28 O3 P7 Pt S24 -","- C792 H612 Ag112 O12 P28 Pt4 S96 -","4","0.333333","","Bootharaju, Megalamane S.; Kozlov, Sergey M.; Cao, Zhen; Shkurenko, Aleksander; El-Zohry, Ahmed M.; Mohammed, Omar F.; Eddaoudi, Mohamed; Bakr, Osman M.; Cavallo, Luigi; Basset, Jean-Marie","Tailoring the Crystal Structure of Nanoclusters Unveiled High Photoluminescence via Ion Pairing","Chemistry of Materials","2018","30","8","2719","","10.1021/acs.chemmater.8b00328","","","1.54178","CuKα","","0.1227","0.0687","","","0.1834","0.2124","","","","","","1.043","","","","has coordinates,has disorder","226221","2020-10-21","18:00:00",""
"4003117","5.943","0.003","5.943","0.003","5.943","0.003","90","","90","","90","","209.9","0.18","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C Br3 N Pb0.74 Sn0.26 -","- C Br3 N Pb0.743 Sn0.257 -","- C Br3 N Pb0.743 Sn0.257 -","1","0.0208333","","Ju, Dianxing; Dang, Yangyang; Zhu, Zonglong; Liu, Hongbin; Chueh, Chu-Chen; Li, Xiaosong; Wang, Lei; Hu, Xiaobo; Jen, Alex K.-Y.; Tao, Xutang","Tunable Band Gap and Long Carrier Recombination Lifetime of Stable Mixed CH3NH3PbxSn1‒xBr3 Single Crystals","Chemistry of Materials","2018","30","5","1556","","10.1021/acs.chemmater.7b04565","","x-ray","0.71073","MoKα","","0.0248","0.0248","","","0.0296","0.0296","","","","1","1","1","","","","has coordinates","226222","2020-10-21","18:00:00",""
"4003118","11.12874","0.00011","3.2729","0.00003","10.5453","0.00011","90","","109.894","0.0007","90","","361.173","0.006","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Distrontiumheptanitridomagnesopentaaluminate","","- Al5 Mg N7 Sr2 -","- Al5 Mg N7 Sr2 -","- Al10 Mg2 N14 Sr4 -","2","0.25","","Wagatha, Peter; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang","Tunable Red Luminescence in Nitridomagnesoaluminates α-Sr2[MgAl5N7]:Eu2+, β-Sr2[MgAl5N7]:Eu2+, and Sr8[LiMg2Al21N28]:Eu2+","Chemistry of Materials","2018","30","5","1755","","10.1021/acs.chemmater.8b00106","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.486","4.266","","","","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4003119","12.2131","0.0019","15.207","0.002","20.901","0.004","90","","106.855","0.002","90","","3715.1","1","250","2","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H5 F24 Fe3 O19 -","- C16 H5 F24 Fe3 O19 -","- C64 H20 F96 Fe12 O76 -","4","1","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe <sub> <i>x</i> </sub> O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.0631","0.0424","","","0.1014","0.1149","","","","","","1.043","","","","has coordinates,has disorder","226224","2020-10-21","18:00:00",""
"4003120","13.536","0.0007","15.0772","0.0007","17.4768","0.0008","90","","109.942","0.001","90","","3352.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cl4 F18 Fe4 O16 -","- C12 H6 Cl4 F18 Fe4 O16 -","- C48 H24 Cl16 F72 Fe16 O64 -","4","1","","Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.","Popcorn-Shaped Fe <sub> <i>x</i> </sub> O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.","Chemistry of materials : a publication of the American Chemical Society","2018","30","4","1249","1256","10.1021/acs.chemmater.7b04382","","x-ray","0.71073","MoKα","K-L~3~","0.0515","0.038","","","0.0885","0.0942","","","","","","1.055","","","","has coordinates,has disorder","226225","2020-10-21","18:00:00",""
"4003121","4.3483","0.0002","17.6677","0.0012","11.4806","0.0007","90","","93.576","0.005","90","","880.27","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Br2 N O Pb -","- C3 H7 Br2 N O Pb -","- C12 H28 Br8 N4 O4 Pb4 -","4","1","","Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping","Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors","Chemistry of Materials","2018","30","17","5846","","10.1021/acs.chemmater.8b00537","","","0.71073","MoKα","","0.1239","0.0624","","","0.0999","0.1223","","","","","","0.99","","","","has coordinates","226226","2020-10-21","18:00:00",""
"4003122","12.2606","0.0007","4.3331","0.0002","12.5","0.0008","90","","101.398","0.006","90","","650.98","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Br3 H2 O Pb1.5 -","- Br3 H2 O Pb1.5 -","- Br12 H8 O4 Pb6 -","4","1","","Liu, Mei; Zhao, Jiangtao; Luo, Zhenlin; Sun, Zhihu; Pan, Nan; Ding, Huaiyi; Wang, Xiaoping","Unveiling Solvent-Related Effect on Phase Transformations in CsBr‒PbBr2 System: Coordination and Ratio of Precursors","Chemistry of Materials","2018","30","17","5846","","10.1021/acs.chemmater.8b00537","","","0.71073","MoKα","","0.1218","0.0811","","","0.1895","0.226","","","","","","1.05","","","","has coordinates","226227","2020-10-21","18:00:00",""
"4003123","11.3599","0.0007","12.3868","0.0008","16.3945","0.001","80.4131","0.0011","76.937","0.0011","76.3263","0.0011","2167.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H32 Cl2 F12 Hg3 O2 -","- C47 H32 Cl2 F12 Hg3 O2 -","- C94 H64 Cl4 F24 Hg6 O4 -","2","1","","Wang, Jiliang; Price, Randi S.; Leem, Gyu; Jiang, Junlin; Abboud, Khalil A.; Schanze, Kirk S.","Interaction of a Poly(phenylene vinylene) with an Organometallic Lewis Acid Additive: Fundamentals and Application in Polymer Solar Cells","Chemistry of Materials","2018","30","17","5968","","10.1021/acs.chemmater.8b02152","","","0.71073","MoKα","","0.0198","0.0161","","","0.0373","0.045","","","","","","1.094","","","","has coordinates","226228","2020-10-21","18:00:00",""
"4003124","12.1375","0.0006","14.2801","0.0005","17.8065","0.0008","67.234","0.004","70.613","0.004","89.92","0.004","2655.7","0.2","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","- C68 H98 Ag10 Cl16 F6 N4 O10 P2 S6 -","1","0.5","","Dong, Xi-Yan; Huang, Hui-Lin; Wang, Jia-Yin; Li, Hai-Yang; Zang, Shuang-Quan","A Flexible Fluorescent SCC-MOF for Switchable Molecule Identification and Temperature Display","Chemistry of Materials","2018","30","6","2160","","10.1021/acs.chemmater.8b00611","","x-ray","1.54184","CuKα","","0.1122","0.1082","","","0.3166","0.3258","","","","","","1.084","","","","has coordinates,has disorder","226229","2020-10-21","18:00:00",""
"4003125","13.5301","0.0018","16.485","0.002","13.905","0.002","90","","98.2146","0.0011","90","","3069.6","0.7","400","","400","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N4 Ni O2 -","- C30 H34 Cl2 N4 Ni O2 -","- C120 H136 Cl8 N16 Ni4 O8 -","4","1","","Homma, Yuta; Ishida, Takayuki","A New S = 0 ⇄ S = 2 “Spin-Crossover” Scenario Found in a Nickel(II) Bis(nitroxide) System","Chemistry of Materials","2018","30","6","1835","","10.1021/acs.chemmater.7b05357","","","0.71073","MoKα","","","0.0727","","","","0.0722","","","","","","1.196","","","","has coordinates","226230","2020-10-21","18:00:00",""
"4003126","13.3679","0.0013","16.2549","0.0015","13.6561","0.0014","90","","97.7819","0.0008","90","","2940.1","0.5","85","","85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 N4 Ni O2 -","- C30 H34 Cl2 N4 Ni O2 -","- C120 H136 Cl8 N16 Ni4 O8 -","4","1","","Homma, Yuta; Ishida, Takayuki","A New S = 0 ⇄ S = 2 “Spin-Crossover” Scenario Found in a Nickel(II) Bis(nitroxide) System","Chemistry of Materials","2018","30","6","1835","","10.1021/acs.chemmater.7b05357","","","0.71073","MoKα","","","0.0516","","","","0.0612","","","","","","1.097","","","","has coordinates","226231","2020-10-21","18:00:00",""
"4003127","33.1112","0.0016","5.2976","0.0003","17.5164","0.0008","90","","90","","90","","3072.5","0.3","103","2","102.75","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C39 H40 N2 O5 -","- C39 H40 N2 O5 -","- C156 H160 N8 O20 -","4","1","","Chen, Yao; Yang, Lin; Wu, Jianglin; Wang, Gang; Huang, Wei; Melkonyan, Ferdinand S.; Lu, Zhiyun; Huang, Yan; Marks, Tobin J.; Facchetti, Antonio","Performance, Morphology, and Charge Recombination Correlations in Ternary Squaraine Solar Cells","Chemistry of Materials","2018","30","19","6810","","10.1021/acs.chemmater.8b02746","","","1.54178","CuKα","","0.033","0.0317","","","0.0758","0.0766","","","","","","1.062","","","","has coordinates,has disorder","226232","2020-10-21","18:00:00",""
"4003128","10.2401","0.0007","19.7604","0.0014","21.4189","0.0015","101.991","0.0016","99.5004","0.0016","99.8941","0.0015","4084.8","0.5","90","","90","","","","","","","","synthesized","9","P -1","-P 1","2","","","","- C92 H72 B2 Cu2 F8 N4 O4 P4 S2 -","- C92 H72 B2 Cu2 F8 N4 O4 P4 S2 -","- C184 H144 B4 Cu4 F16 N8 O8 P8 S4 -","2","1","","Brown, Christopher M.; Carta, Veronica; Wolf, Michael O.","Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes","Chemistry of Materials","2018","30","16","5786","","10.1021/acs.chemmater.8b02821","","","0.71073","MoKα","","0.0548","0.0413","","0.1013","0.0901","0.1013","","","","","","0.9181","","","","has coordinates,has disorder","226233","2020-10-21","18:00:00",""
"4003129","12.4822","0.0011","14.5739","0.0014","15.8204","0.0014","74.485","0.002","88.104","0.002","72.284","0.002","2637.9","0.4","90","","90","","","","","","","","synthesized","10","P -1","-P 1","2","","","","- C49 H42 B Cl2 Cu F4 N2 O2 P2 S -","- C49 H42 B Cl2 Cu F4 N2 O2 P2 S -","- C98 H84 B2 Cl4 Cu2 F8 N4 O4 P4 S2 -","2","1","","Brown, Christopher M.; Carta, Veronica; Wolf, Michael O.","Thermochromic Solid-State Emission of Dipyridyl Sulfoxide Cu(I) Complexes","Chemistry of Materials","2018","30","16","5786","","10.1021/acs.chemmater.8b02821","","","0.71073","MoKα","","0.0869","0.0662","","0.2034","0.1746","0.2033","","","","","","0.9654","","","","has coordinates,has disorder","226233","2020-10-21","18:00:00",""
"4003130","7.641","0.002","4.0199","0.0011","9.013","0.003","90","","113.764","0.009","90","","253.37","0.13","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cu O Sb Se2 Sr -","- Cu O Sb Se2 Sr -","- Cu2 O2 Sb2 Se4 Sr2 -","2","0.5","","Bu, Kejun; Huang, Jian; Luo, Mengjia; Guan, Mengjia; Zheng, Chong; Pan, Jie; Zhang, Xian; Wang, Sishun; Zhao, Wei; Shi, Xun; Xu, Li; Huang, Fuqiang","Observation of High Seebeck Coefficient and Low Thermal Conductivity in [SrO]-Intercalated CuSbSe2 Compound","Chemistry of Materials","2018","30","16","5539","","10.1021/acs.chemmater.8b02651","","","0.71073","MoKα","","0.0743","0.0392","","","0.0605","0.0668","","","","","","0.991","","","","has coordinates","226234","2020-10-21","18:00:00",""
"4003131","10.9536","0.0012","12.6964","0.0012","12.78","0.0011","116.804","0.004","92.354","0.006","98.939","0.006","1554.6","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H40 N6 -","- C36 H40 N6 -","- C72 H80 N12 -","2","1","","Wu, Hongzhuo; Wang, Yang; Qiao, Xiaolan; Wang, Deliang; Yang, Xiaodi; Li, Hongxiang","Pyrrolo[3,2-b]pyrrole-Based Quinoidal Compounds For High Performance n-Channel Organic Field-Effect Transistor","Chemistry of Materials","2018","30","20","6992","","10.1021/acs.chemmater.8b01791","","","1.54178","CuKα","","0.1277","0.094","","","0.2789","0.3154","","","","","","1.055","","","","has coordinates,has disorder","226235","2020-10-21","18:00:00",""
"4003132","15.4387","0.0006","12.7404","0.0004","20.8005","0.0008","90","","106.901","0.002","90","","3914.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F2 N6 -","- C35.9996 H38 F2 N6 -","- C143.998 H152 F8 N24 -","4","1","","Wu, Hongzhuo; Wang, Yang; Qiao, Xiaolan; Wang, Deliang; Yang, Xiaodi; Li, Hongxiang","Pyrrolo[3,2-b]pyrrole-Based Quinoidal Compounds For High Performance n-Channel Organic Field-Effect Transistor","Chemistry of Materials","2018","30","20","6992","","10.1021/acs.chemmater.8b01791","","","1.54178","CuKα","","0.1661","0.1087","","","0.2668","0.3031","","","","","","1.038","","","","has coordinates,has disorder","226236","2020-10-21","18:00:00",""
"4003133","4.316","0.0003","4.316","0.0003","11.2486","0.0008","90","","90","","90","","209.54","0.03","298","2","298","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","","0.71073","MoKα","","0.0146","0.0144","","","0.0403","0.0405","","","","","","1.152","","","","has coordinates","226237","2020-10-21","18:00:00",""
"4003134","4.282","0.003","4.282","0.003","11.221","0.005","90","","90","","90","","205.7","0.2","100","2","100","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","- Ag5 Cs S2 Te -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","","0.71073","MoKα","","0.0153","0.0153","","","0.0421","0.0421","","","","","","1.307","","","","has coordinates","226238","2020-10-21","18:00:00",""
"4003135","4.4637","0.0006","4.4637","0.0006","11.335","0.002","90","","90","","90","","225.85","0.06","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","Cesium pentasilver disulfide telluride","","- Ag5 Cs S0.94 Te2.06 -","- Ag5 Cs S0.94 Te2.06 -","- Ag5 Cs S0.94 Te2.06 -","1","0.0625","","Hodges, James M.; Xia, Yi; Malliakas, Christos D.; Alexander, Grant C. B.; Chan, Maria K. Y.; Kanatzidis, Mercouri G.","Two-Dimensional CsAg5Te3‒xSx Semiconductors: Multi-anion Chalcogenides with Dynamic Disorder and Ultralow Thermal Conductivity","Chemistry of Materials","2018","30","20","7245","","10.1021/acs.chemmater.8b03306","","x-ray","0.71073","MoKα","","0.0319","0.0288","","","0.0723","0.074","","","","","","1.324","","","","has coordinates","226239","2020-10-21","18:00:00",""
"4003136","11.5264","0.0008","12.7009","0.0009","13.7691","0.0009","82.6384","0.0007","88.3814","0.0008","69.7873","0.0007","1875.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Li Ni O11 S10 -","- C24 H36 Li Ni O11 S10 -","- C48 H72 Li2 Ni2 O22 S20 -","2","1","","Ichihashi, Katsuya; Konno, Daisuke; Date, Takuya; Nishimura, Takumi; Maryunina, Kseniya Yu.; Inoue, Katsuya; Nakaya, Toshimi; Toyoda, Kazuhiro; Tatewaki, Yoko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Nishihara, Sadafumi","Optimizing Lithium Ion Conduction through Crown Ether-Based Cylindrical Channels in [Ni(dmit)2]− Salts","Chemistry of Materials","2018","30","20","7130","","10.1021/acs.chemmater.8b03027","","","0.71073","MoKα","","0.0259","0.0223","","","0.0613","0.0642","","","","","","1.03","","","","has coordinates","226240","2020-10-21","18:00:00",""
"4003137","10.6327","0.0004","12.6385","0.0005","13.35","0.0006","82.8866","0.0013","77.4852","0.0013","86.8376","0.0012","1737.14","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H32 Li Ni O8.5 S10 -","- C21 H30 Li Ni O8.49 S10 -","- C42 H60 Li2 Ni2 O16.98 S20 -","2","1","","Ichihashi, Katsuya; Konno, Daisuke; Date, Takuya; Nishimura, Takumi; Maryunina, Kseniya Yu.; Inoue, Katsuya; Nakaya, Toshimi; Toyoda, Kazuhiro; Tatewaki, Yoko; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Nishihara, Sadafumi","Optimizing Lithium Ion Conduction through Crown Ether-Based Cylindrical Channels in [Ni(dmit)2]− Salts","Chemistry of Materials","2018","30","20","7130","","10.1021/acs.chemmater.8b03027","","","0.71073","MoKα","","0.077","0.0524","","","0.1267","0.1468","","","","","","1.077","","","","has coordinates,has disorder","226240","2020-10-21","18:00:00",""
"4003138","7.5679","0.0004","13.0883","0.0006","31.3052","0.0015","90","","94.8444","0.0007","90","","3089.7","0.3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As12 Eu11 Sn2 Zn4 -","- As12 Eu11 Sn2 Zn4 -","- As48 Eu44 Sn8 Zn16 -","4","0.5","","Devlin, Kasey P.; Kazem, Nasrin; Zaikina, Julia V.; Cooley, Joya A.; Badger, Jackson R.; Fettinger, James C.; Taufour, Valentin; Kauzlarich, Susan M.","Eu11Zn4Sn2As12: A Ferromagnetic Zintl Semiconductor with a Layered Structure Featuring Extended Zn4As6 Sheets and Ethane-like Sn2As6 Units","Chemistry of Materials","2018","30","20","7067","","10.1021/acs.chemmater.8b02749","","","0.71073","MoKα","","0.0398","0.0304","","","0.0602","0.0633","","","","","","1.103","","","","has coordinates,has disorder","226241","2020-10-21","18:00:00",""
"4003139","9.44471","0.0001","10.54296","0.0001","21.2952","0.0002","90","","90","","90","","2120.47","0.04","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Niu, Guangle; Zhang, Ruoyao; Kwong, John P. C.; Lam, Jacky W. Y.; Chen, Congping; Wang, Jianguo; Chen, Yuncong; Feng, Xing; Kwok, Ryan T. K.; Sung, Herman H.-Y.; Williams, Ian D.; Elsegood, Mark R. J.; Qu, Jianan; Ma, Chao; Wong, Kam Sing; Yu, Xiaoqiang; Tang, Ben Zhong","Specific Two-Photon Imaging of Live Cellular and Deep-Tissue Lipid Droplets by Lipophilic AIEgens at Ultralow Concentration","Chemistry of Materials","2018","30","14","4778","","10.1021/acs.chemmater.8b01943","","","1.54184","CuKα","","0.0289","0.0275","","","0.0739","0.0754","","","","","","1.06","","","","has coordinates","226242","2020-10-21","18:00:00",""
"4003351","10.0049","0.0003","10.0144","0.0002","12.1801","0.0003","99.3626","0.0018","94.68","0.002","113.451","0.002","1090.12","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl5 P2 Sb -","- C48 H40 Cl5 P2 Sb -","- C48 H40 Cl5 P2 Sb -","1","0.5","","Zhou, Chenkun; Worku, Michael; Neu, Jennifer; Lin, Haoran; Tian, Yu; Lee, Sujin; Zhou, Yan; Han, Dan; Chen, Shiyou; Hao, Ayou; Djurovich, Peter I.; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu","Facile Preparation of Light Emitting Organic Metal Halide Crystals with Near-Unity Quantum Efficiency","Chemistry of Materials","2018","30","7","2374","","10.1021/acs.chemmater.8b00129","","","0.71073","MoKα","","0.0684","0.0598","","0.1415","0.1321","0.1415","","","","","","0.9366","","","","has coordinates","231527","2020-10-21","18:00:00",""
"4003352","9.2171","","10.027","","6.9348","","90","","90","","90","","640.913","","293","","293","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- B3 Cs O7 Si -","- B3 Cs O7 Si -","- B12 Cs4 O28 Si4 -","4","1","","Zhou, Zhengyang; Qiu, Yi; Liang, Fei; Palatinus, Lukáš; Poupon, Morgane; Yang, Tao; Cong, Rihong; Lin, Zheshuai; Sun, Junliang","CsSiB3O7: A Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material Discovered by the Combination of Electron Diffraction and First-Principles Calculations","Chemistry of Materials","2018","30","7","2203","","10.1021/acs.chemmater.8b00545","","electron","0.0335","electron","","0.104","0.0961","","","0.102","0.1024","","","","4.56","4.56","4.34","","","","has coordinates","231528","2020-10-21","18:00:00",""
"4003353","15.0812","0.0005","15.0812","0.0005","19.2621","0.0008","90","","90","","90","","4381","0.3","210","2","210","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","catena-[bis(μ~4~-1,4-benzene-dicarboxylato)-(μ~2~-1,4- diazabicyclo[2.2.2]octane)-di-zinc] dimethylformamide clathrate","","- C4.25 H6 N0.75 O1.5 Zn0.25 -","- C2.75 H2.5 N0.25 O Zn0.25 -","- C88 H80 N8 O32 Zn8 -","32","1","","Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J.","Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations","Chemistry of Materials","2018","30","9","2983","","10.1021/acs.chemmater.8b00546","","","0.71073","MoKα","","0.0643","0.0389","","","0.0907","0.1014","","","","","","1.083","","","","has coordinates","231529","2020-10-21","18:00:00",""
"4003354","21.5725","0.0005","21.5725","0.0005","9.6834","0.0003","90","","90","","120","","3902.65","0.18","210","2","210","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","catena-[bis(μ~4~-1,4-benzene-dicarboxylato)-(μ~2~-1,4- diazabicyclo[2.2.2]octane)-di-zinc] dimethylformamide clathrate","","- C4.25 H6 N0.75 O1.5 Zn0.25 -","- C2.75 H2.5 N0.25 O Zn0.25 -","- C66 H60 N6 O24 Zn6 -","24","1","","Lee, Hui-Chun; Hwang, Jongkook; Schilde, Uwe; Antonietti, Markus; Matyjaszewski, Krzysztof; Schmidt, Bernhard V. K. J.","Toward Ultimate Control of Radical Polymerization: Functionalized Metal‒Organic Frameworks as a Robust Environment for Metal-Catalyzed Polymerizations","Chemistry of Materials","2018","30","9","2983","","10.1021/acs.chemmater.8b00546","","","0.71073","MoKα","","0.0331","0.0273","","","0.0744","0.0777","","","","","","1.07","","","","has coordinates","231529","2020-10-21","18:00:00",""
"4003355","8.1456","0.0013","10.528","0.0016","17.657","0.003","90","","103.218","0.005","90","","1474.1","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O5 -","- C14 H8 Cu N2 O5 -","- C56 H32 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0366","0.0363","","","0.1005","0.1008","","","","","","1.091","","","","has coordinates","231530","2020-10-21","18:00:00",""
"4003356","7.9968","0.0016","10.6693","0.0019","17.695","0.003","90","","103.904","0.005","90","","1465.5","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O6 -","- C15 H8 Cu N2 O7 -","- C60 H32 Cu4 N8 O28 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","0.71073","MoKα","","0.0327","0.0312","","","0.0889","0.0901","","","","","","1.04","","","","has coordinates","231531","2020-10-21","18:00:00",""
"4003357","8.4025","0.0011","10.2909","0.0012","17.774","0.003","90","","103.533","0.006","90","","1494.2","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cu N2 O5 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0408","0.0369","","","0.0975","0.0997","","","","","","1.073","","","","has coordinates","231532","2020-10-21","18:00:00",""
"4003358","8.5188","0.0012","10.2071","0.0014","17.775","0.003","90","","103.329","0.003","90","","1503.9","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O6 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0353","0.0342","","","0.091","0.0917","","","","","","1.091","","","","has coordinates","231533","2020-10-21","18:00:00",""
"4003359","8.4584","0.0012","10.2551","0.0014","17.773","0.003","90","","103.479","0.003","90","","1499.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O6 -","- C16 H10 Cu N2 O5 -","- C64 H40 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0357","0.0348","","","0.0909","0.0916","","","","","","1.087","","","","has coordinates","231534","2020-10-21","18:00:00",""
"4003360","8.1474","0.0015","10.5098","0.0017","17.662","0.003","90","","103.064","0.007","90","","1473.2","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.7 H8 Cu N2 O5 -","- C14.751 H8 Cu N2 O5 -","- C59.004 H32 Cu4 N8 O20 -","4","1","","Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining","Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?","Chemistry of Materials","2018","30","11","3613","","10.1021/acs.chemmater.8b00681","","","1.54178","CuKα","","0.0366","0.0336","","","0.0865","0.0879","","","","","","1.072","","","","has coordinates,has disorder","231535","2020-10-21","18:00:00",""
"4003361","8.5348","0.0003","10.2038","0.0004","14.0759","0.0006","91.017","0.003","102.753","0.003","100.403","0.003","1173.82","0.08","290.01","0.1","290.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 Bi0.5 I4.5 N2 -","- C12 H28 Bi0.5 I4.5 N2 -","- C24 H56 Bi I9 N4 -","2","1","","Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua","Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption","Chemistry of Materials","2018","30","12","4081","","10.1021/acs.chemmater.8b01200","","x-ray","0.71073","MoKα","","0.0442","0.031","","","0.0574","0.0633","","","","","","1.062","","","","has coordinates","231536","2020-10-21","18:00:00",""
"4003362","30.1506","0.0006","8.6004","0.0002","16.1217","0.0004","90","","90","","90","","4180.47","0.16","293","2","293.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H42 Bi2 I9 N3 -","- C18 H42 Bi2 I9 N3 -","- C72 H168 Bi8 I36 N12 -","4","0.5","","Zhang, Weichuan; Liu, Xitao; Li, Lina; Sun, Zhihua; Han, Shiguo; Wu, Zhenyue; Luo, Junhua","Triiodide-Induced Band-Edge Reconstruction of a Lead-Free Perovskite-Derivative Hybrid for Strong Light Absorption","Chemistry of Materials","2018","30","12","4081","","10.1021/acs.chemmater.8b01200","","x-ray","1.54184","CuKα","","0.061","0.0448","","","0.1065","0.1177","","","","","","1.035","","","","has coordinates","231536","2020-10-21","18:00:00",""
"4003363","14.578","0.004","8.571","0.002","9.811","0.003","90","","90.386","0.005","90","","1225.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C60 H64 N4 O4 -","2","0.5","","Fan, Zhi-Ping; Li, Xiang-Yang; Purdum, Geoffrey E.; Hu, Chen-Xia; Fei, Xian; Shi, Zi-Fa; Sun, Chun-Lin; Shao, Xiangfeng; Loo, Yueh-Lin; Zhang, Hao-Li","Enhancing the Thermal Stability of Organic Field-Effect Transistors by Electrostatically Interlocked 2D Molecular Packing","Chemistry of Materials","2018","30","11","3638","","10.1021/acs.chemmater.8b01579","","","0.71073","MoKα","","0.0593","0.0424","","","0.1108","0.123","","","","","","1.004","","","","has coordinates","231537","2020-10-21","18:00:00",""
"4003364","7.5","0.003","8.528","0.004","10.009","0.004","80.48","0.04","73.28","0.03","83.45","0.03","603.2","0.5","293.18","0.1","293.18","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","1","0.5","","Fan, Zhi-Ping; Li, Xiang-Yang; Purdum, Geoffrey E.; Hu, Chen-Xia; Fei, Xian; Shi, Zi-Fa; Sun, Chun-Lin; Shao, Xiangfeng; Loo, Yueh-Lin; Zhang, Hao-Li","Enhancing the Thermal Stability of Organic Field-Effect Transistors by Electrostatically Interlocked 2D Molecular Packing","Chemistry of Materials","2018","30","11","3638","","10.1021/acs.chemmater.8b01579","","x-ray","0.71073","MoKα","","0.2368","0.0904","","","0.1812","0.278","","","","","","0.961","","","","has coordinates","231538","2020-10-21","18:00:00",""
"4003365","32.5662","0.0017","32.5662","0.0017","46.87","0.002","90","","90","","90","","49708","4","200","2","200","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C276 H180 Cu24 N24 O144 -","- C276 H180 Cu24 N24 O144 -","- C552 H360 Cu48 N48 O288 -","2","0.125","","Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D.","Mechanochemical Synthesis of Porous Molecular Assemblies","Chemistry of Materials","2018","30","12","3975","","10.1021/acs.chemmater.8b01667","","","1.54178","CuKα","","0.1446","0.1325","","","0.3954","0.4118","","","","","","1.953","","","","has coordinates","231539","2020-10-21","18:00:00",""
"4003366","18.3561","0.001","8.5392","0.0005","19.8563","0.0011","90","","90","","90","","3112.4","0.3","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","cle106b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.047","0.0332","","","0.0581","0.0618","","","","","","1.08","","","","has coordinates","231540","2020-10-21","18:00:00",""
"4003367","18.105","0.0008","15.7555","0.0006","16.6214","0.0006","90","","90","","90","","4741.3","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","CLE13","","","- C24 H40 Cl16 N8 Pb4 -","- C24 H40 Cl16 N8 Pb4 -","- C96 H160 Cl64 N32 Pb16 -","4","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.024","0.0196","","","0.039","0.0402","","","","","","1.022","","","","has coordinates","231541","2020-10-21","18:00:00",""
"4003368","17.3155","0.0006","8.2244","0.0003","18.4056","0.0006","90","","90","","90","","2621.13","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLE30","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0338","0.0267","","","0.0558","0.0589","","","","","","1.057","","","","has coordinates,has disorder","231542","2020-10-21","18:00:00",""
"4003369","18.3568","0.0004","8.7037","0.0002","19.648","0.0004","90","","90","","90","","3139.2","0.12","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF5b","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C48 H80 I32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0438","0.0315","","","0.0673","0.0739","","","","","","1.032","","","","has coordinates","231543","2020-10-21","18:00:00",""
"4003370","16.7592","0.0013","7.875","0.0005","18.4791","0.0015","90","","90","","90","","2438.8","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF24a","","","- C6 H10 Cl4 N2 Pb -","- C6 H10 Cl4 N2 Pb -","- C48 H80 Cl32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.05","0.0288","","","0.0512","0.0576","","","","","","1.045","","","","has coordinates","231544","2020-10-21","18:00:00",""
"4003371","26.5785","0.0009","12.9273","0.0005","26.2839","0.0009","90","","90","","90","","9030.8","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cle109","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H60 I22 N12 O3 Pb5 -","- C144 H240 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0394","0.0274","","","0.0537","0.0579","","","","","","1.074","","","","has coordinates","231545","2020-10-21","18:00:00",""
"4003372","26.3268","0.0008","12.8308","0.0004","26.0929","0.0008","90","","90","","90","","8814","0.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H66 I22 N12 O3 Pb5 -","- C36 H66 I22 N12 O3 Pb5 -","- C144 H264 I88 N48 O12 Pb20 -","4","0.5","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0258","0.0181","","","0.0334","0.0353","","","","","","1.046","","","","has coordinates","231546","2020-10-21","18:00:00",""
"4003373","17.3765","0.0003","8.2397","0.0001","18.7056","0.0004","90","","90","","90","","2678.21","0.08","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CLF35","","","- C6 H10 Br4 N2 Pb -","- C6 H10 Br4 N2 Pb -","- C48 H80 Br32 N16 Pb8 -","8","1","","Lermer, Claudia; Senocrate, Alessandro; Moudrakovski, Igor; Seewald, Tobias; Hatz, Anna-Katharina; Mayer, Peter; Pielnhofer, Florian; Jaser, Julian A.; Schmidt-Mende, Lukas; Maier, Joachim; Lotsch, Bettina V.","Completing the Picture of 2-(Aminomethylpyridinium) Lead Hybrid Perovskites: Insights into Structure, Conductivity Behavior, and Optical Properties","Chemistry of Materials","2018","30","18","6289","","10.1021/acs.chemmater.8b01840","","","0.71073","MoKα","","0.0458","0.0288","","","0.0563","0.0626","","","","","","1.038","","","","has coordinates","231547","2020-10-21","18:00:00",""
"4003374","23.279","0.003","23.279","0.003","30.804","0.006","90","","90","","90","","16693","4","100","2","100","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C8 H48 I44 N8 Pb18 -","- C8 H48 I44 N8 Pb18 -","- C16 H96 I88 N16 Pb36 -","2","0.125","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.1693","0.1265","","","0.2954","0.3194","","","","","","1.44","","","","has coordinates","231548","2020-10-21","18:00:00",""
"4003375","23.29","0.003","23.29","0.003","23.29","0.003","90","","90","","90","","12633","3","100","2","100","2","","","","","","","","2","P -4 3 m","P -4 2 3","215","","","","- I75 Pb50 -","- I61.9208 Pb56.2178 -","- I61.9208 Pb56.2178 -","1","0.0416667","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.2553","0.1475","","","0.2963","0.3698","","","","","","0.972","","","","has coordinates","231549","2020-10-21","18:00:00",""
"4003376","21.822","0.004","4.5979","0.0009","16.653","0.003","90","","101.8","0.03","90","","1635.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H18 I8 N2 O2 Pb3 -","- C6 H17.5 I8 N2 O2 Pb3 -","- C12 H35 I16 N4 O4 Pb6 -","2","0.25","","Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium","Chemistry of Materials","2018","30","15","5237","","10.1021/acs.chemmater.8b01906","","","0.9699","synchrotron","","0.11","0.0862","","","0.1989","0.2224","","","","","","0.887","","","","has coordinates,has disorder","231550","2020-10-21","18:00:00",""
"4003377","7.9516","0.0007","11.3364","0.001","6.0351","0.0006","90","","90","","90","","544.02","0.09","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie","Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates","Chemistry of Materials","2018","30","15","5397","","10.1021/acs.chemmater.8b02223","","","0.71073","MoKα","","0.0749","0.0693","","","0.1763","0.1862","","","","","","0.888","","","","has coordinates","231551","2020-10-21","18:00:00",""
"4003378","22.03","0.04","21.02","0.04","15.27","0.03","90","","131.61","0.03","90","","5287","18","258","2","258","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H18 N O4 Zn -","- C28 H18 N O4 Zn -","- C112 H72 N4 O16 Zn4 -","4","0.5","","Qi, Yi; Xu, Huoshu; Li, Xiaomin; Tu, Binbin; Pang, Qingqing; Lin, Xiao; Ning, Erlong; Li, Qiaowei","Structure Transformation of a Luminescent Pillared-Layer Metal‒Organic Framework Caused by Point Defects Accumulation","Chemistry of Materials","2018","30","15","5478","","10.1021/acs.chemmater.8b02511","","","0.71073","MoKα","","0.1661","0.1419","","","0.3596","0.3777","","","","","","1.003","","","","has coordinates","231552","2020-10-21","18:00:00",""
"4003379","35.6285","0.0005","69.9968","0.001","23.6539","0.0003","90","","100.362","0.001","90","","58027.9","1.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C402 H369.75 Mn7 N42 O72 Ti8 -","- C402 H370 Mn7 N42 O72 Ti8 -","- C1608 H1480 Mn28 N168 O288 Ti32 -","4","1","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54178","CuKα","","0.143","0.1175","","","0.3469","0.384","","","","","","1.05","","","","has coordinates","231553","2020-10-21","18:00:00",""
"4003380","47.662","0.0014","47.662","0.0014","47.662","0.0014","90","","90","","90","","108272","6","100","","100","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C174 H144 Mn2 N12 O36 Ti4 -","- C174 H144 Mn2 N12 O36 Ti4 -","- C1392 H1152 Mn16 N96 O288 Ti32 -","8","0.0833333","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54184","CuKα","","0.1421","0.0716","","","0.1763","0.1944","","","","","","1.034","","","","has coordinates","231554","2020-10-21","18:00:00",""
"4003381","47.5803","0.0017","47.5803","0.0017","47.5803","0.0017","90","","90","","90","","107716","7","100","","100","","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","","","- C174 H132 Mn2 N12 O36 Ti4 -","- C174 H132 Mn2 N12 O36 Ti4 -","- C1392 H1056 Mn16 N96 O288 Ti32 -","8","0.0833333","","He, Yan-Ping; Yuan, Lv-Bing; Song, Jin-Shuai; Chen, Guang-Hui; Lin, Qipu; Li, Chunsen; Zhang, Lei; Zhang, Jian","Optical Resolution of the Water-Soluble Ti4(embonate)6 Cages for Enantioselective Recognition of Chiral Drugs","Chemistry of Materials","2018","30","21","7769","","10.1021/acs.chemmater.8b03174","","","1.54184","CuKα","","0.1493","0.0907","","","0.2537","0.2833","","","","","","1.01","","","","has coordinates","231555","2020-10-21","18:00:00",""
"4003382","7.9407","0.0007","11.3362","0.001","6.0308","0.0004","90","","90","","90","","542.88","0.08","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- F H8 N2 O3 P -","- F H8 N2 O3 P -","- F4 H32 N8 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0524","0.0437","","","0.0843","0.0878","","","","","","1.146","","","","has coordinates","231556","2020-10-21","18:00:00",""
"4003383","4.9431","0.0004","9.02","0.0007","6.0536","0.0005","90","","90.797","0.003","90","","269.88","0.04","273","2","273","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- F H6 N Na O4 P -","- F H6 N Na O4 P -","- F2 H12 N2 Na2 O8 P2 -","2","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0229","0.0222","","","0.0571","0.0574","","","","","","1.294","","","","has coordinates","231557","2020-10-21","18:00:00",""
"4003384","13.2025","0.0014","7.2951","0.0007","11.7574","0.0012","90","","119.71","0.004","90","","983.54","0.18","273","2","273","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 F N6 O3 P -","- C2 H12 F N6 O3 P -","- C8 H48 F4 N24 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0569","0.0465","","","0.0949","0.0988","","","","","","1.144","","","","has coordinates","231558","2020-10-21","18:00:00",""
"4003385","81.554","0.003","81.554","0.003","7.1811","0.0003","90","","90","","120","","41363","3","100","2","100.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H86.96 N4 O4 S4 -","- C66 H86.962 N4 O4 S4 -","- C1188 H1565.32 N72 O72 S72 -","18","1","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","","1.54178","CuKα","","0.1855","0.1385","","","0.3827","0.4171","","","","","","1.524","","","","has coordinates,has disorder","231559","2020-10-21","18:00:00",""
"4003386","8.6033","0.0019","11.704","0.003","12.974","0.004","67.75","0.003","76.075","0.004","70.501","0.003","1130","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N4 O4 S2 -","- C22 H28 N4 O4 S2 -","- C44 H56 N8 O8 S4 -","2","1","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","","0.71073","MoKα","","0.1198","0.0644","","","0.1305","0.1496","","","","","","0.953","","","","has coordinates","231560","2020-10-21","18:00:00",""
"4003387","11.9625","0.0002","16.1003","0.0003","27.6827","0.0005","77.6816","0.0015","88.6733","0.0015","84.4995","0.0015","5184.93","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 N4 O4 S6 -","- C50 H59 N4 O4 S6 -","- C200 H236 N16 O16 S24 -","4","2","","Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf","Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics","Chemistry of Materials","2018","30","21","7840","","10.1021/acs.chemmater.8b03366","","x-ray","0.71073","MoKα","","0.1455","0.107","","","0.2814","0.3105","","","","","","1.03","","","","has coordinates","231561","2020-10-21","18:00:00",""
"4003388","9.7317","0.0003","13.5934","0.0005","19.6218","0.0006","90","","96.451","0.003","90","","2579.27","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 Cl3 N9 O18 Yb2 -","- C39 H42 Cl3 N9 O18 Yb2 -","- C78 H84 Cl6 N18 O36 Yb4 -","2","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.056","0.0427","","","0.1044","0.1224","","","","","","1.07","","","","has coordinates","231562","2020-10-21","18:00:00",""
"4003389","13.89","0.0002","23.0192","0.0004","18.1488","0.0003","90","","98.162","0.002","90","","5744.06","0.16","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Cl7 N9 Nd2 O18 -","- C41 H46 Cl7 N9 Nd2 O18 -","- C164 H184 Cl28 N36 Nd8 O72 -","4","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.0491","0.0427","","","0.1014","0.1202","","","","","","1.107","","","","has coordinates,has disorder","231563","2020-10-21","18:00:00",""
"4003390","13.7965","0.0004","22.5774","0.0008","17.968","0.0008","90","","98.075","0.004","90","","5541.3","0.4","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H46 Cl7 Er2 N9 O18 -","- C41 H46 Cl7 Er2 N9 O18 -","- C164 H184 Cl28 Er8 N36 O72 -","4","0.5","","Ashoka Sahadevan, Suchithra; Monni, Noemi; Abhervé, Alexandre; Marongiu, Daniela; Sarritzu, Valerio; Sestu, Nicola; Saba, Michele; Mura, Andrea; Bongiovanni, Giovanni; Cannas, Carla; Quochi, Francesco; Avarvari, Narcis; Mercuri, Maria Laura","Nanosheets of Two-Dimensional Neutral Coordination Polymers Based on Near-Infrared-Emitting Lanthanides and a Chlorocyananilate Ligand","Chemistry of Materials","2018","30","18","6575","","10.1021/acs.chemmater.8b03399","","","1.54184","CuKα","","0.0589","0.05","","","0.1256","0.1376","","","","","","1.178","","","","has coordinates","231564","2020-10-21","18:00:00",""
"4003391","29.0062","0.0014","10.0042","0.0005","22.0701","0.0011","90","","129.462","0.001","90","","4944.5","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 N4 Ni1.5 O14 -","- C19 H25 N4 Ni1.5 O14 -","- C152 H200 N32 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.1168","0.0934","","","0.2752","0.3032","","","","","","1.029","","","","has coordinates","231565","2020-10-21","18:00:00",""
"4003392","28.71","0.011","10.017","0.003","22.795","0.006","90","","131.263","0.012","90","","4928","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N3 Ni1.5 O13 -","- C19 H22 N3 Ni1.5 O13 -","- C152 H176 N24 Ni12 O104 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0598","0.0493","","","0.1603","0.1697","","","","","","1.034","","","","has coordinates","231566","2020-10-21","18:00:00",""
"4003393","30.345","0.0013","10.0088","0.0004","22.7507","0.0009","90","","124.313","0.001","90","","5707.3","0.4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H23 N5 Ni1.5 O14 -","- C152 H184 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0549","0.0489","","","0.1714","0.1812","","","","","","1.111","","","","has coordinates","231567","2020-10-21","18:00:00",""
"4003394","30.577","0.002","10.019","0.0008","22.7524","0.0017","90","","123.297","0.002","90","","5826","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H33 N3 Ni1.5 O15.5 -","- C21 H23 N3 Ni1.5 O15.5 -","- C168 H184 N24 Ni12 O124 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0601","0.0523","","","0.159","0.1725","","","","","","1.077","","","","has coordinates","231568","2020-10-21","18:00:00",""
"4003395","30.29","0.009","10.01","0.002","22.716","0.006","90","","124.309","0.007","90","","5689","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H24 N5 Ni1.5 O14 -","- C152 H192 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0612","0.0512","","","0.1681","0.1783","","","","","","1.065","","","","has coordinates","231569","2020-10-21","18:00:00",""
"4003396","28.835","0.002","10.0088","0.0006","21.924","0.003","90","","128.843","0.002","90","","4928.2","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N3 Ni1.5 O13 -","- C19 H20 N3 Ni1.5 O13 -","- C152 H160 N24 Ni12 O104 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0691","0.0608","","","0.2025","0.2186","","","","","","1.097","","","","has coordinates","231570","2020-10-21","18:00:00",""
"4003397","30.359","0.007","10.007","0.002","22.709","0.005","90","","124.027","0.007","90","","5718","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H29 N3 Ni1.5 O13.5 -","- C21 H25 N3 Ni1.5 O13.5 -","- C168 H200 N24 Ni12 O108 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.0715","0.0566","","","0.1855","0.1972","","","","","","1.077","","","","has coordinates","231571","2020-10-21","18:00:00",""
"4003398","30.511","0.011","10.034","0.003","22.747","0.007","90","","124.442","0.014","90","","5743","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N5 Ni1.5 O13.5 -","- C19 H23 N5 Ni1.5 O14 -","- C152 H184 N40 Ni12 O112 -","8","1","","Shao, Zhichao; Huang, Chao; Dang, Jian; Wu, Qiong; Liu, Yeye; Ding, Jie; Hou, Hongwei","Modulation of Magnetic Behavior and Hg2+ Removal by Solvent-Assisted Linker Exchange Based on a Water-Stable 3D MOF","Chemistry of Materials","2018","30","21","7979","","10.1021/acs.chemmater.8b03621","","","0.71073","MoKα","","0.058","0.049","","","0.1646","0.1729","","","","","","1.056","","","","has coordinates","231572","2020-10-21","18:00:00",""
"4003399","46.45","0.006","46.45","0.006","7.164","0.0014","90","","90","","120","","13386","4","566","2","566","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C23 H21 N3 O2 S4 -","- C23 N3 O2 S4 -","- C414 N54 O36 S72 -","18","1","","Shi, Yongqiang; Guo, Han; Qin, Minchao; Wang, Yuxi; Zhao, Jiuyang; Sun, Huiliang; Wang, Hang; Wang, Yulun; Zhou, Xin; Facchetti, Antonio; Lu, Xinhui; Zhou, Ming; Guo, Xugang","Imide-Functionalized Thiazole-Based Polymer Semiconductors: Synthesis, Structure‒Property Correlations, Charge Carrier Polarity, and Thin-Film Transistor Performance","Chemistry of Materials","2018","30","21","7988","","10.1021/acs.chemmater.8b03670","","","0.71073","MoKα","","0.1331","0.1121","","","0.297","0.3136","","","","","","1.655","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4003400","41.4633","0.0011","9.0279","0.0003","8.7717","0.0002","90","","90","","90","","3283.48","0.16","300","2","300","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 I7 N3 Pb2 -","- C15 H26 I7 N3 Pb2 -","- C60 H104 I28 N12 Pb8 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.115","0.0544","","","0.1142","0.131","","","","","","1.17","","","","has coordinates","231574","2020-10-21","18:00:00",""
"4003401","54.188","0.004","8.9661","0.0006","8.7984","0.0006","90","","90","","90","","4274.7","0.5","302","2","302","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H1.25 I10 N6 Pb3 -","- C16 H32 I10 N4 Pb3 -","- C64 H128 I40 N16 Pb12 -","4","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.1468","0.0723","","","0.1812","0.2174","","","","","","1.025","","","","has coordinates","231575","2020-10-21","18:00:00",""
"4003402","38.8253","0.0014","8.9127","0.0003","8.8276","0.0003","90","","90.264","0.001","90","","3054.65","0.18","300","2","300","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H54 I14 N5 Pb4 -","- C17 H54 I14 N5 Pb4 -","- C34 H108 I28 N10 Pb8 -","2","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0719","0.0467","","","0.1257","0.1399","","","","","","1.062","","","","has coordinates","231576","2020-10-21","18:00:00",""
"4003403","27.623","0.003","54.155","0.005","4.6034","0.0005","90","","90","","90","","6886.3","1.2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H24 I8 N2 O2 Pb3 -","- C14 H24 I8 N2 O2 Pb3 -","- C112 H192 I64 N16 O16 Pb24 -","8","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0332","0.026","","","0.0618","0.0653","","","","","","1.038","","","","has coordinates","231577","2020-10-21","18:00:00",""
"4003404","13.799","0.003","8.966","0.002","8.758","0.002","90","","108.245","0.008","90","","1029.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C16 H48 I8 N4 Pb2 -","2","0.5","","Oswald, Iain W. H.; Koegel, Alexandra A.; Neilson, James R.","General Synthesis Principles for Ruddlesden‒Popper Hybrid Perovskite Halides from a Dynamic Equilibrium","Chemistry of Materials","2018","30","23","8606","","10.1021/acs.chemmater.8b03817","","","0.71073","MoKα","","0.0697","0.0396","","","0.0881","0.0996","","","","","","1.022","","","","has coordinates","231578","2020-10-21","18:00:00",""
"4003405","12.9918","0.0005","24.4505","0.0009","22.1009","0.0009","90","","91.4855","0.0011","90","","7018.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 F8 Ir2 N16 O -","- C72 H72 F8 Ir2 N16 O -","- C288 H288 F32 Ir8 N64 O4 -","4","1","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0367","0.0254","","","0.0505","0.0552","","","","","","1.049","","","","has coordinates,has disorder","231579","2020-10-21","18:00:00",""
"4003406","12.3992","0.0004","17.092","0.0005","17.1949","0.0005","90","","109.516","0.0008","90","","3434.71","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 F4 Ir N8 -","- C36 H35 F4 Ir N8 -","- C144 H140 F16 Ir4 N32 -","4","1","","Chen, Yi-Kuang; Kuo, Hsin-Hung; Luo, Dian; Lai, Yi-Ning; Li, Wei-Cheng; Chang, Chih-Hao; Escudero, Daniel; Jen, Alex K.-Y.; Hsu, Ling-Yang; Chi, Yun","Phenyl- and Pyrazolyl-Functionalized Pyrimidine: Versatile Chromophore of Bis-Tridentate Ir(III) Phosphors for Organic Light-Emitting Diodes","Chemistry of Materials","2018","31","17","6453","","10.1021/acs.chemmater.8b04278","","","0.71073","MoKα","","0.0318","0.0243","","","0.0504","0.0542","","","","","","1.082","","","","has coordinates,has disorder","231580","2020-10-21","18:00:00",""
"4033302","7.2135","0.0003","18.9163","0.0008","7.7262","0.0003","90","","109.331","0.001","90","","994.82","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0447","0.0391","","","0.0921","0.0953","","","","","","1.088","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033303","12.0215","0.0004","13.0351","0.0005","29.9074","0.0011","90","","90","","90","","4686.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C216 H264 N8 O32 -","8","2","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0676","0.0547","","","0.1341","0.1467","","","","","","1.128","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033304","12.8117","0.0006","5.5768","0.0003","12.9121","0.0006","90","","103.001","0.002","90","","898.9","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N O4 -","- C21 H20 F N O4 -","- C42 H40 F2 N2 O8 -","2","1","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0847","0.0455","","","0.076","0.087","","","","","","1.052","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033305","27.9822","0.0005","15.7268","0.0003","30.7786","0.0006","90","","108.175","0.001","90","","12869","0.4","100","2","100.08","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-t-butylPBTz","4-tert-butyl-2,6-bis(triisopropylsilyl)-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C28 H51 N3 S2 Si2 -","- C28 H51 N3 S2 Si2 -","- C448 H816 N48 S32 Si32 -","16","4","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0624","0.0472","","","0.1139","0.1214","","","","","","1.05","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033306","11.4255","0.0009","11.8733","0.0007","9.826","0.0007","90","","107.618","0.006","90","","1270.46","0.16","296","2","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","4-t-butyl-PBTz","4-Hexyl-4H-pyrrolo[2,3-d:5,4-d']bisthiazole","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0616","0.0531","","","0.1368","0.1422","","","","","","1.121","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033307","14.8601","0.0004","17.8661","0.0005","9.988","0.0004","90","","96.505","0.003","90","","2634.66","0.15","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 N3 S2 Si -","- C27 H38 N3 S2 Si -","- C108 H152 N12 S8 Si4 -","4","1","","Uzelac, Eric J.; McCausland, Casey B.; Rasmussen, Seth C.","Pyrrolo[2,3-d:5,4-d']bisthiazoles: Alternate Synthetic Routes and a Comparative Study to Analogous Fused-Ring Bithiophenes.","The Journal of organic chemistry","2018","83","2","664","671","10.1021/acs.joc.7b02570","","","1.54178","CuKα","","0.0854","0.0514","","","0.1234","0.1391","","","","","","1.038","","","","has coordinates","227564","2020-10-21","18:00:00",""
"4033308","10.6428","0.0006","14.8657","0.0009","13.7911","0.0008","90","","107.109","0.002","90","","2085.4","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 O4 -","- C27 H22 O4 -","- C108 H88 O16 -","4","1","","Giardinetti, Maxime; Marrot, Jérôme; Greck, Christine; Moreau, Xavier; Coeffard, Vincent","Aminocatalyzed Synthesis of Enantioenriched Phenalene Skeletons through a Friedel-Crafts/Cyclization Strategy.","The Journal of organic chemistry","2018","83","2","1019","1025","10.1021/acs.joc.7b02629","","","0.71073","MoKα","","0.0542","0.0434","","","0.1237","0.1374","","","","","","1.074","","","","has coordinates","227555","2020-10-21","18:00:00",""
"4033321","8.853","0.001","19.2845","0.0011","8.0635","0.0008","90","","116.194","0.013","90","","1235.3","0.2","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","x-ray","0.71073","MoKα","","0.1195","0.0637","","","0.1407","0.1843","","","","","","1.042","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033322","8.741","0.0006","5.5915","0.0004","25.644","0.003","90","","95.471","0.009","90","","1247.65","0.19","295.19","0.1","295.19","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F3 I N2 O2 -","- C10 H8 F3 I N2 O2 -","- C40 H32 F12 I4 N8 O8 -","4","1","","Wang, Yuxiang; Wang, Ke-Hu; Su, Yingpeng; Yang, Zheng; Wen, Lan; Liu, Lili; Wang, Juanjuan; Huang, Danfeng; Hu, Yulai","Cascade Oxidation/Halogenoaminocyclization Reaction of Trifluoromethylated Homoallylic N-Acylhydrazines: Metal-free Synthesis of CF<sub>3</sub>-Substituted Pyrazolines.","The Journal of organic chemistry","2018","83","2","939","950","10.1021/acs.joc.7b02934","","","0.71073","MoKα","","0.0809","0.052","","","0.0891","0.104","","","","","","1.052","","","","has coordinates","227558","2020-10-21","18:00:00",""
"4033323","13.4306","0.0004","15.139","0.0005","17.0352","0.0004","100.24","0.002","110.402","0.003","92.464","0.003","3173.95","0.18","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 F12 N4 O16 P2 -","- C60 H74 F12 N4 O16 P2 -","- C120 H148 F24 N8 O32 P4 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","1.54184","CuKα","","0.1377","0.1165","","","0.3404","0.3822","","","","","","1.48","","","","has coordinates,has disorder","227559","2020-10-21","18:00:00",""
"4033324","10.7404","0.0005","18.6914","0.001","26.8438","0.0014","90","","90","","90","","5389","0.5","218","2","218.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 F6 N2 O15 P S -","- C49 H65 F6 N2 O15 P S -","- C196 H260 F24 N8 O60 P4 S4 -","4","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","","0.71073","MoKα","","0.1818","0.1379","","","0.274","0.2986","","","","","","1.098","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033325","11.2302","0.0013","9.7297","0.0011","21.768","0.002","90","","97.322","0.009","90","","2359.1","0.4","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C46 H58 F6 N2 O17 -","- C46 H58 F6 N2 O17 -","- C92 H116 F12 N4 O34 -","2","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","x-ray","0.71073","MoKα","","0.0684","0.0503","","","0.0829","0.0906","","","","","","1.053","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033326","7.4167","0.0003","10.5318","0.0005","13.811","0.0006","99.828","0.002","102.136","0.001","93.865","0.002","1033.21","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AMUS127","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C40 H60 N4 O10 -","2","1","","Music, Arif; Baumann, Andreas N.; Eisold, Michael; Didier, Dorian","Regiodivergent Stereoselective Access to Fused Alkylideneazetidines.","The Journal of organic chemistry","2018","83","2","783","792","10.1021/acs.joc.7b02786","","","0.71073","MoKα","","0.0583","0.0408","","","0.0874","0.0984","","","","","","1.037","","","","has coordinates","227563","2020-10-21","18:00:00",""
"4033327","9.815","0.002","10.37","0.002","19.071","0.004","90","","90","","90","","1941.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O6 S -","- C18 H20 N2 O6 S -","- C72 H80 N8 O24 S4 -","4","1","","Lu, Ning; Fang, Yanhong; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Bifunctional Thiourea-Ammonium Salt Catalysts Derived from Cinchona Alkaloids: Cooperative Phase-Transfer Catalysts in the Enantioselective Aza-Henry Reaction of Ketimines.","The Journal of organic chemistry","2018","83","3","1486","1492","10.1021/acs.joc.7b03078","","","0.71073","MoKα","","0.0782","0.0531","","","0.0957","0.103","","","","","","1.013","","","","has coordinates,has disorder","227613","2020-10-21","18:00:00",""
"4033328","12.3293","0.0006","3.9877","0.0002","26.5458","0.0016","90","","90","","90","","1305.14","0.12","293","2","293","2","","","","","","","Synthesis","4","P c a 21","P 2c -2ac","29","","Unkown","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Sau, Prasenjit; Rakshit, Amitava; Modi, Anju; Behera, Ahalya; Patel, Bhisma K.","Three Sequential C-N Bond Formations: tert-Butyl Nitrite as a N1 Synthon in a Three Component Reaction Leading to Imidazo[1,2-a]quinolines and Imidazo[2,1-a]isoquinolines.","The Journal of organic chemistry","2018","83","2","1056","1064","10.1021/acs.joc.7b02815","","x-ray","0.71073","MoKα","","0.0444","0.0344","","","0.0725","0.0821","","","","","","1.093","","","","has coordinates","227560","2020-10-21","18:00:00",""
"4033329","6.1091","0.0003","9.5133","0.0004","22.6063","0.0009","90","","90","","90","","1313.83","0.1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0692","0.0686","","","0.1811","0.1823","","","","","","1.059","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033330","31.5874","0.0009","5.4964","0.0001","14.967","0.0004","90","","90.211","0.002","90","","2598.51","0.11","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H18 O3 -","- C15 H17.5 O3 -","- C120 H140 O24 -","8","2","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0841","0.0834","","","0.1952","0.1966","","","","","","1.122","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033331","9.2188","0.0001","10.6982","0.0002","19.9113","0.0003","90","","101.668","0.001","90","","1923.16","0.05","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","2","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0407","0.0385","","","0.1024","0.1048","","","","","","1.033","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033332","6.1442","0.0001","11.1047","0.0001","13.2427","0.0001","90","","91.632","0.001","90","","903.176","0.018","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Wei-Yan; Zhao, Jin-Xin; Wei, Wen-Jun; Gao, Kun; Yue, Jian-Min","Quorumolides A-C, Three Cembranoids from Euphorbia antiquorum.","The Journal of organic chemistry","2018","83","2","1041","1045","10.1021/acs.joc.7b02684","","","1.54178","CuKα","","0.0346","0.0339","","","0.09","0.0907","","","","","","1.064","","","","has coordinates","227565","2020-10-21","18:00:00",""
"4033333","12.6869","0.0003","37.5546","0.0012","11.2665","0.0003","90","","104.367","0.002","90","","5200.1","0.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C58 H50 Cl6 N2 O6 -","- C58 H50 Cl6 N2 O6 -","- C232 H200 Cl24 N8 O24 -","4","1","","Takahashi, Masaki; Asaba, Kyohei; Lua, Trinh Thi; Inuzuka, Toshiyasu; Uemura, Naohiro; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Controllable Monobromination of Perylene Ring System: Synthesis of Bay-Functionalized Perylene Dyes.","The Journal of organic chemistry","2018","83","2","624","631","10.1021/acs.joc.7b02540","","","1.54178","CuKα","","0.0981","0.0947","","","0.2709","0.2773","","","","","","1.323","","","","has coordinates,has disorder","227556","2020-10-21","18:00:00",""
"4033334","13.6507","0.0004","8.6189","0.0003","17.2043","0.0012","90","","106.742","0.007","90","","1938.35","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 -","- C25 H28 N2 -","- C100 H112 N8 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0616","0.0448","","","0.1281","0.1471","","","","","","1.205","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033335","6.9339","0.0004","16.3197","0.001","17.014","0.0012","90","","90","","90","","1925.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0566","0.035","","","0.0832","0.1078","","","","","","1.127","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033336","11.863","0.0008","13.9407","0.001","20.039","0.0014","90","","93.379","0.004","90","","3308.3","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C160 H192 N16 O8 -","8","2","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","0.71075","MoKα","","0.0809","0.0479","","","0.1006","0.1194","","","","","","1.067","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033337","14.5912","0.0007","8.463","0.0004","14.9815","0.0009","90","","103.38","0.005","90","","1799.78","0.17","290.84","0.1","290.84","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0858","0.0564","","","0.1279","0.1507","","","","","","1.038","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033338","10.3697","0.0019","8.9","0.002","40.651","0.007","90","","94.374","0.018","90","","3740.8","1.3","289.48","0.1","289.48","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br N O4 -","- C18 H22 Br N O4 -","- C144 H176 Br8 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.2069","0.068","","","0.1175","0.1753","","","","","","0.956","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033339","16.8558","0.0011","8.0593","0.0005","29.356","0.002","90","","105.478","0.007","90","","3843.3","0.5","289.23","0.13","289.23","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.1125","0.0643","","","0.1273","0.1527","","","","","","1.069","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033340","8.5277","0.0006","28.377","0.002","8.7497","0.0006","90","","108.934","0.007","90","","2002.8","0.3","294.89","0.1","294.89","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Wei, Jian; Li, Yuntong; Tao, Cheng; Wang, Huifei; Cheng, Bin; Zhai, Hongbin; Li, Yun","Organocatalytic Synthesis of 4-Aryl-1,2,3,4-tetrahydropyridines from Morita-Baylis-Hillman Carbonates through a One-Pot Three-Component Cyclization.","The Journal of organic chemistry","2018","83","2","835","842","10.1021/acs.joc.7b02818","","","0.71073","MoKα","","0.0891","0.0588","","","0.1314","0.1519","","","","","","1.049","","","","has coordinates","227552","2020-10-21","18:00:00",""
"4033341","12.9678","0.0015","8.4769","0.001","16.4475","0.0019","90","","98.602","0.004","90","","1787.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Br N O3 -","- C19 H20 Br N O3 -","- C76 H80 Br4 N4 O12 -","4","1","","Chaudhari, Moreshwar B.; Moorthy, Suresh; Patil, Sohan; Bisht, Girish Singh; Mohamed, Haneef; Basu, Sudipta; Gnanaprakasam, Boopathy","Iron-Catalyzed Batch/Continuous Flow C-H Functionalization Module for the Synthesis of Anticancer Peroxides.","The Journal of organic chemistry","2018","83","3","1358","1368","10.1021/acs.joc.7b02854","","","0.71073","MoKα","","0.061","0.0364","","","0.0733","0.0808","","","","","","1.027","","","","has coordinates","227608","2020-10-21","18:00:00",""
"4033342","10.5837","0.0013","10.5837","0.0013","52.904","0.003","90","","90","","90","","5926","1.1","103","","103","","","","","","","","Extracted from the bark of Laetia corymbulosa","3","P 43 21 2","P 4nw 2abw","96","","18,19-di-O-acetyl-18,19-epoxy-6-hydroxy-2-(2?-methylbutanoyloxy)cleroda-3,13(16),14-triene","","- C29 H42 O8 -","- C29 H42 O8 -","- C232 H336 O64 -","8","1","","Aimaiti, Simayijiang; Suzuki, Airi; Saito, Yohei; Fukuyoshi, Shuichi; Goto, Masuo; Miyake, Katsunori; Newman, David J.; O'Keefe, Barry R; Lee, Kuo-Hsiung; Nakagawa-Goto, Kyoko","Corymbulosins I-W, Cytotoxic Clerodane Diterpenes from the Bark of Laetia corymbulosa.","The Journal of organic chemistry","2018","83","2","951","963","10.1021/acs.joc.7b02951","","x-ray","0.71075","MoKα","","0.0771","0.0617","","","0.1689","0.1827","","","","","","1.044","","","","has coordinates","227553","2020-10-21","18:00:00",""
"4033343","8.509","0.007","9.549","0.008","13.264","0.011","76.7","0.05","71.35","0.05","68.51","0.05","942.3","1.4","100","2","99.98","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 Cl1.64 -","- C50 H36 Cl1.638 -","- C50 H36 Cl1.638 -","1","0.5","","Grenz, David C.; Schmidt, Maximilian; Kratzert, Daniel; Esser, Birgit","Dibenzo[a,e]pentalenes with Low-Lying LUMO Energy Levels as Potential n-Type Materials.","The Journal of organic chemistry","2018","83","2","656","663","10.1021/acs.joc.7b02250","","x-ray","0.71073","MoKα","","0.0801","0.0536","","","0.129","0.1403","","","","","","1.032","","","","has coordinates","227557","2020-10-21","18:00:00",""
"4033344","9.3211","0.0014","10.6406","0.0014","29.994","0.004","90","","90","","90","","2974.9","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F3 O6 S -","- C30 H29 F3 O6 S -","- C120 H116 F12 O24 S4 -","4","1","","Ha, Min Woo; Lee, Jun Young; Kim, Doyoung; Lee, Geumwoo; Lee, Jae Kyun; Hong, Suckchang; Park, Hyeung-Geun","Enantioselective Synthesis of Chiral α-Thio-Quaternary Stereogenic Centers via Phase-Transfer-Catalyzed α-Alkylation of α-Acylthiomalonates.","The Journal of organic chemistry","2018","83","2","1011","1018","10.1021/acs.joc.7b02605","","","0.71075","MoKα","","","0.0548","","","","0.1306","","","","","","1.023","","","","has coordinates","227562","2020-10-21","18:00:00",""
"4033346","6.2637","0.0003","7.166","0.0004","29.5658","0.0013","90","","90","","90","","1327.08","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","","Bhagat, Ujjawal Kumar; Peddinti, Rama Krishna","Asymmetric Organocatalytic Approach to 2,4-Disubstituted 1,2,3-Triazoles by N2-Selective Aza-Michael Addition.","The Journal of organic chemistry","2018","83","2","793","804","10.1021/acs.joc.7b02793","","","0.71073","MoKα","","0.058","0.0446","","","0.1056","0.112","","","","","","1.029","","","","has coordinates","227567","2020-10-21","18:00:00",""
"4033347","16.6532","0.0003","21.5744","0.0004","6.152","0.0001","90","","90","","90","","2210.31","0.07","301","2","301.02","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C28 H24 F N O -","- C28 H24 F N O -","- C112 H96 F4 N4 O4 -","4","1","","Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.","The Journal of organic chemistry","2018","83","2","614","623","10.1021/acs.joc.7b02533","","","1.54178","CuKα","","0.0441","0.0409","","","0.1044","0.1088","","","","","","1.052","","","","has coordinates","227569","2020-10-21","18:00:00",""
"4033348","11.4286","0.0002","15.351","0.0003","11.4973","0.0002","90","","91.214","0.001","90","","2016.64","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0834","0.0585","","","0.1293","0.1453","","","","","","1.043","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033349","9.4636","0.0001","9.3031","0.0001","12.0391","0.0002","90","","112.321","0.001","90","","980.51","0.02","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H26 O7 -","- C20 H26 O7 -","- C40 H52 O14 -","2","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0487","0.0436","","","0.1102","0.1128","","","","","","1.068","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033350","11.5191","0.0001","12.9907","0.0002","15.3601","0.0002","90","","95.0515","0.0006","90","","2289.58","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Kreibich, Michael; Petrović, Denis; Brückner, Reinhard","Mechanistic Studies of the Deslongchamps Annulation.","The Journal of organic chemistry","2018","83","3","1116","1133","10.1021/acs.joc.7b02341","","","0.71073","MoKα","","0.0635","0.0509","","","0.1396","0.1484","","","","","","1.045","","","","has coordinates","227607","2020-10-21","18:00:00",""
"4033351","6.1668","0.0003","20.6407","0.001","13.3138","0.0007","90","","97.77","0.002","90","","1679.12","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O7 S -","- C15 H19 N O7 S -","- C60 H76 N4 O28 S4 -","4","1","","Han, Teng; Wang, Yu; Li, Hong-Liang; Luo, Xiaoyan; Deng, Wei-Ping","Synthesis of Polysubstituted 3-Aminothiophenes from Thioamides and Allenes via Tandem Thio-Michael Addition/Oxidative Annulation and 1,2-Sulfur Migration.","The Journal of organic chemistry","2018","83","3","1538","1542","10.1021/acs.joc.7b02616","","","0.71073","MoKα","","0.0704","0.0516","","","0.1262","0.1398","","","","","","1.067","","","","has coordinates","227611","2020-10-21","18:00:00",""
"4033360","11.7312","0.0003","13.2225","0.0004","14.0726","0.0004","90","","98.412","0.001","90","","2159.4","0.11","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl2 N2 O3 -","- C25 H20 Cl2 N2 O3 -","- C100 H80 Cl8 N8 O12 -","4","1","","Feng, Chengjie; Li, Yifei; Xu, Qi; Pan, Ling; Liu, Qun; Xu, Xianxiu","Triple Nucleophilic Attack of Nitromethane on (2-Iminoaryl)divinyl Ketones: A Domino Synthetic Strategy for Hexahydrophenanthridinones.","The Journal of organic chemistry","2018","83","3","1232","1240","10.1021/acs.joc.7b02759","","","0.71073","MoKα","","0.0623","0.0474","","","0.1147","0.126","","","","","","1.021","","","","has coordinates","227612","2020-10-21","18:00:00",""
"4033361","9.8527","0.0003","13.2507","0.0004","13.5893","0.0005","90","","106.832","0.004","90","","1698.14","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 F3 I N O3 -","- C16 H17 F3 I N O3 -","- C64 H68 F12 I4 N4 O12 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.068","0.0515","","","0.1433","0.1559","","","","","","1.098","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033362","7.3724","0.0015","7.3724","0.0015","20.222","0.007","90","","90","","90","","1099.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N S -","- C10 H14 Cl N S -","- C40 H56 Cl4 N4 S4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.1598","0.0638","","","0.1145","0.1465","","","","","","0.821","","","","has coordinates,has disorder","227616","2020-10-21","18:00:00",""
"4033363","11.1849","0.0004","7.5306","0.0003","13.9062","0.0006","90","","107.21","0.004","90","","1118.86","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.0596","0.0426","","","0.1104","0.1287","","","","","","1.145","","","","has coordinates","227616","2020-10-21","18:00:00",""
"4033364","5.5875","0.0007","10.408","0.0014","20.927","0.003","90","","90","","90","","1217","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 B F N O2 -","- C15 H11 B F N O2 -","- C60 H44 B4 F4 N4 O8 -","4","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed C3-Selective C-H Borylation of Indoles: Synthesis, Intermediates, and Reaction Mechanism.","The Journal of organic chemistry","2018","83","3","1377","1386","10.1021/acs.joc.7b02886","","","0.71073","MoKα","","0.0769","0.0489","","","0.0883","0.0965","","","","","","1.026","","","","has coordinates","227618","2020-10-21","18:00:00",""
"4033365","8.93629","0.00017","9.87328","0.00019","12.3144","0.0002","78.986","0.006","84.693","0.006","84.898","0.006","1059.09","0.04","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C48 H50 N2 O10 -","2","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0407","0.0374","","","0.0961","0.0982","","","","","","1.039","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033366","9.87309","0.00018","22.3816","0.0004","19.1033","0.0004","90","","101.571","0.007","90","","4135.57","0.17","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","2","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0526","0.043","","","0.1013","0.1058","","","","","","1.044","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033367","15.9811","0.0003","5.46871","0.00012","18.4598","0.0004","90","","99.761","0.007","90","","1589.96","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","1","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0525","0.0493","","","0.1233","0.1252","","","","","","1.111","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033368","10.726","0.0002","17.103","0.0003","17.9943","0.0003","69.762","0.005","72.864","0.005","75.943","0.005","2922.91","0.15","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C144 H136 N8 O16 -","8","4","","Tanimoto, Hiroki; Ueda, Sho; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Nitrosoallene-Mediated endo-Cyclizations for the Synthesis of (Hetero)cyclic α-Substituted exo-Unsaturated Oximes.","The Journal of organic chemistry","2018","83","3","1614","1626","10.1021/acs.joc.7b02936","","","0.71075","MoKα","","0.0702","0.0517","","","0.1329","0.1433","","","","","","1.027","","","","has coordinates","227620","2020-10-21","18:00:00",""
"4033369","11.9912","0.0004","15.1577","0.0004","18.4186","0.0004","85.439","0.002","72.928","0.002","67.853","0.003","2962.28","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H50 N2 S4 -","- C68 H50 N2 S4 -","- C136 H100 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","0.71073","MoKα","","0.0925","0.0738","","","0.2256","0.2557","","","","","","1.087","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033370","12.7437","0.0007","13.6334","0.0006","17.2038","0.001","110.13","0.005","95.529","0.005","96.18","0.004","2761.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C68 H46 N2 S4 -","- C68 H46 N2 S4 -","- C136 H92 N4 S8 -","2","1","","Kumar, Sunit; Rajeswara Rao, Malakalapalli; Ravikanth, Mangalampalli","Stable Core-Modified Doubly N-Fused Expanded Dibenziporphyrinoids.","The Journal of organic chemistry","2018","83","3","1584","1590","10.1021/acs.joc.7b02851","","x-ray","1.54184","CuKα","","0.1025","0.0766","","","0.199","0.2306","","","","","","1.049","","","","has coordinates","227622","2020-10-21","18:00:00",""
"4033371","7.451","0.0015","10.958","0.002","15.857","0.005","90","","99.33","0.03","90","","1277.6","0.5","289","2","289","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Br O4 Si -","- C25 H30 Br O4 Si -","- C50 H60 Br2 O8 Si2 -","2","1","","Han, Man-Yi; Luan, Wen-Yu; Mai, Pei-Lin; Li, Pinhua; Wang, Lei","Organocatalytic Asymmetric Vinylogous Aldol Reaction of Allyl Aryl Ketones to Silyl Glyoxylates.","The Journal of organic chemistry","2018","83","3","1518","1524","10.1021/acs.joc.7b02546","","","0.71073","MoKα","","0.0973","0.0439","","","0.0781","0.0931","","","","","","1.018","","","","has coordinates","227626","2020-10-21","18:00:00",""
"4033372","9.5218","0.0005","11.0694","0.0006","11.599","0.0006","90","","90","","90","","1222.54","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0439","0.0367","","","0.1055","0.1159","","","","","","0.643","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033373","8.6117","0.0004","8.6517","0.0004","18.1435","0.0009","90","","90","","90","","1351.8","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0401","0.0316","","","0.0743","0.0773","","","","","","1.066","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033374","4.798","0.0008","5.6534","0.0011","19.038","0.003","90","","90","","90","","516.41","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Frei, Przemyslaw; Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Johnston, Blair F.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Reaction of Heterocyclic N-Oxides, an Acyl Chloride, and Cyclic Thioethers.","The Journal of organic chemistry","2018","83","3","1510","1517","10.1021/acs.joc.7b02457","","","0.71073","MoKα","","0.0321","0.0294","","","0.0672","0.0703","","","","","","1.076","","","","has coordinates","227606","2020-10-21","18:00:00",""
"4033375","7.5222","0.0004","11.809","0.0005","12.1927","0.0008","110.612","0.005","93.489","0.004","108.376","0.004","943.88","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 B F2 N4 O S -","- C20 H21 B F2 N4 O S -","- C40 H42 B2 F4 N8 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.5418","CuKα","","0.0519","0.0479","","","0.1321","0.135","","","","","","1.015","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033376","7.0645","0.0003","21.7182","0.0008","12.3999","0.0005","90","","99.231","0.004","90","","1877.86","0.13","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B Cl2 F2 N3 O3 S -","- C16 H18 B Cl2 F2 N3 O3 S -","- C64 H72 B4 Cl8 F8 N12 O12 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.1419","0.1373","","","0.4048","0.4125","","","","","","1.998","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033377","14.401","0.002","11.8913","0.0016","7.4972","0.0009","90","","100.997","0.014","90","","1260.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B F2 N3 O S -","- C9 H7 B F2 N3 O S -","- C36 H28 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","1.54184","CuKα","","0.3326","0.3209","","","0.7044","0.7156","","","","","","3.524","","","","has coordinates,has disorder","227617","2020-10-21","18:00:00",""
"4033378","8.3172","0.0005","8.4816","0.0005","13.2812","0.0007","81.18","0.004","73.554","0.005","72.89","0.005","856.29","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 B F2 N3 O S -","- C18 H16 B F2 N3 O S -","- C36 H32 B2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Lytvyn, Roman; Danyliv, Yan; Ceborska, Magdalena; Bezvikonnyi, Oleksandr; Volyniuk, Dmytro; Gražulevičius, Juozas Vidas","N,O π-Conjugated 4-Substituted 1,3-Thiazole BF<sub>2</sub> Complexes: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","3","1095","1105","10.1021/acs.joc.7b02239","","","0.71073","MoKα","","0.0426","0.0359","","","0.0895","0.0939","","","","","","1.043","","","","has coordinates","227617","2020-10-21","18:00:00",""
"4033379","5.9352","0.0002","23.5259","0.0008","12.1916","0.0004","90","","92.872","0.002","90","","1700.19","0.1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br N O2 S -","- C19 H16 Br N O2 S -","- C76 H64 Br4 N4 O8 S4 -","4","1","","Maiti, Saikat; Mal, Prasenjit","Soft-Hard Acid/Base-Controlled, Oxidative, N-Selective Arylation of Sulfonanilides via a Nitrenium Ion.","The Journal of organic chemistry","2018","83","3","1340","1347","10.1021/acs.joc.7b02841","","","0.71073","MoKα","","0.0444","0.0329","","","0.0787","0.0834","","","","","","1.04","","","","has coordinates","227634","2020-10-21","18:00:00",""
"4033380","12.9992","0.0018","7.6753","0.0011","14.812","0.002","90","","106.361","0.003","90","","1418","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 S2 -","- C34 H28 O4 S2 -","- C68 H56 O8 S4 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0754","0.055","","","0.1143","0.1242","","","","","","1.052","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033381","13.8138","0.0014","10.2034","0.001","17.2024","0.0018","90","","91.6","0.002","90","","2423.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br2 O4 -","- C26 H22 Br2 O4 -","- C104 H88 Br8 O16 -","4","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0798","0.0409","","","0.0848","0.1015","","","","","","1.032","","","","has coordinates","227604","2020-10-21","18:00:00",""
"4033382","9.3284","0.0012","9.7566","0.0012","11.8026","0.0015","74.214","0.002","73.175","0.002","79.296","0.002","982.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Br N O2 S -","- C22 H16 Br N O2 S -","- C44 H32 Br2 N2 O4 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0569","0.0361","","","0.0813","0.0915","","","","","","1.021","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033383","9.7897","0.0012","11.1406","0.0014","13.5075","0.0017","106.467","0.002","92.086","0.002","95.017","0.002","1404.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C72 H56 O8 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.0602","0.0389","","","0.1003","0.1174","","","","","","1","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033384","6.6837","0.0018","16.25","0.005","16.626","0.004","97.272","0.005","95.356","0.006","100.408","0.005","1749.2","0.8","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H34 O9 S -","- C33 H34 O9 S -","- C66 H68 O18 S2 -","2","1","","Zhao, Jidong; Yang, Shuang; Xie, Xin; Li, Xiangdong; Liu, Yuanhong","Ligand-Effect in Gold(I)-Catalyzed Rautenstrauch Rearrangement: Regio- and Stereoselective Synthesis of Bicyclo[3.2.1]octa-3,6-dienes through Cyclodimerization of 1-Ethynyl-2-propenyl Esters.","The Journal of organic chemistry","2018","83","3","1287","1297","10.1021/acs.joc.7b02816","","","0.71073","MoKα","","0.1191","0.0641","","","0.1634","0.1871","","","","","","1.086","","","","has coordinates,has disorder","227604","2020-10-21","18:00:00",""
"4033385","8.121","0.0003","8.6165","0.0004","10.0149","0.0004","81.117","0.004","89.625","0.003","79.854","0.004","681.4","0.05","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C34 H32 N4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.049","0.0441","","","0.1209","0.1279","","","","","","1.039","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033386","8.07903","0.00012","9.7385","0.0003","10.0265","0.0003","118.285","0.003","93.0114","0.0017","90.1807","0.0017","693.36","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C32 H26 N6 O4 -","2","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0472","0.0449","","","0.1256","0.1294","","","","","","1.059","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033387","14.00669","0.00015","7.22338","0.00007","17.8197","0.00018","90","","107.809","0.0011","90","","1716.53","0.03","199.95","0.1","199.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N3 O2 -","- C16 H19 Cl2 N3 O2 -","- C64 H76 Cl8 N12 O8 -","4","1","","Nosood, Yazdanbakhsh L.; Ziyaei Halimehjani, Azim; González, Florenci V","Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines.","The Journal of organic chemistry","2018","83","3","1252","1258","10.1021/acs.joc.7b02795","","","1.54184","CuKα","","0.0543","0.0525","","","0.1552","0.1581","","","","","","1.038","","","","has coordinates","227614","2020-10-21","18:00:00",""
"4033388","7.8941","0.0005","8.2666","0.0005","11.9759","0.0008","85.227","0.002","77.959","0.002","78.541","0.002","748.37","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(3S,3'S)-3-fluoro-3'-hydroxy-1,1'-dimethyl-[3,3'-biindoline]-2,2'-dione","","- C18 H15 F N2 O3 -","- C18 H15 F N2 O3 -","- C36 H30 F2 N4 O6 -","2","1","","Moskowitz, Max; Balaraman, Kaluvu; Wolf, Christian","Organocatalytic Stereoselective Synthesis of Fluorinated 3,3'-Linked Bisoxindoles.","The Journal of organic chemistry","2018","83","3","1661","1666","10.1021/acs.joc.7b03084","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.147","0.1561","","","","","","1.274","","","","has coordinates","227615","2020-10-21","18:00:00",""
"4033389","13.3482","0.0016","13.659","0.0012","29.429","0.003","90","","90.949","0.011","90","","5364.8","1","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51 H66 N6 O3 S3 -","- C45 H54 N6 S3 -","- C180 H216 N24 S12 -","4","2","","Prusinowska, Natalia; Szymkowiak, Joanna; Kwit, Marcin","Enantiopure Tertiary Urea and Thiourea Derivatives of Trianglamine Macrocycle: Structural Studies and Metallogeling Properties.","The Journal of organic chemistry","2018","83","3","1167","1175","10.1021/acs.joc.7b02600","","","0.71073","MoKα","","0.1204","0.0961","","","0.2243","0.2389","","","","","","1.083","","","","has coordinates","227630","2020-10-21","18:00:00",""
"4033390","6.464","0.0007","13.667","0.002","20.093","0.003","90","","90","","90","","1775.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 O2 P S -","- C22 H15 O2 P S -","- C88 H60 O8 P4 S4 -","4","1","","Zhang, Xinghua; Wang, Dungai; An, Duo; Han, Boshi; Song, Xiang; Li, Liang; Zhang, Gaoqi; Wang, Lixian","Cu(II)/Proline-Catalyzed Reductive Coupling of Sulfuryl Chloride and P(O)-H for P-S-C Bond Formation.","The Journal of organic chemistry","2018","83","3","1532","1537","10.1021/acs.joc.7b02608","","","0.71073","MoKα","","0.1255","0.0678","","","0.1486","0.1886","","","","","","0.854","","","","has coordinates","227624","2020-10-21","18:00:00",""
"4033391","11.4107","0.0002","25.3076","0.0005","16.8452","0.0002","90","","91.88","0.001","90","","4861.9","0.14","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 I N11 O6 -","- C48 H58 I N11 O6 -","- C192 H232 I4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0462","0.0365","","","0.0902","0.0956","","","","","","1.029","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033392","11.713","0.003","12.688","0.004","21.381","0.006","100.163","0.004","92.151","0.005","96.439","0.005","3102.6","1.5","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","- C118 H156 N22 O23 S6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1027","0.0862","","","0.2086","0.2203","","","","","","1.145","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033393","11.457","0.002","25.191","0.004","17.26","0.003","90","","93.295","0.002","90","","4973.2","1.5","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Cl N11 O10 -","- C48 H58 Cl N11 O10 -","- C192 H232 Cl4 N44 O40 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0836","0.0724","","","0.1651","0.1729","","","","","","1.13","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033394","10.8041","0.0003","10.8766","0.0003","13.6547","0.0003","99.39","0.002","98.697","0.002","97.182","0.002","1546.34","0.07","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N9 O3.5 S3 -","- C32 H24 N9 O3.5 S3 -","- C64 H48 N18 O7 S6 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0476","0.0401","","","0.0996","0.1061","","","","","","1.037","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033395","11.2331","0.0017","25.605","0.004","16.613","0.002","90","","90.118","0.003","90","","4778.3","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Br N11 O6 -","- C48 H58 Br N11 O6 -","- C192 H232 Br4 N44 O24 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0847","0.0696","","","0.1514","0.1602","","","","","","1.135","","","","has coordinates,has disorder","227636","2020-10-21","18:00:00",""
"4033396","10.748","0.002","10.876","0.002","12.884","0.003","114.14","0.03","95.19","0.03","99.31","0.03","1335.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","- C48 H62 B2 F8 N12 O6 -","1","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0554","0.0501","","","0.1173","0.1214","","","","","","1.079","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033397","13.1038","0.0008","13.0388","0.0007","14.9738","0.0008","90","","92.849","0.005","90","","2555.2","0.2","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H31.69 N7 O6.34 -","- C24 H31.688 N7 O6.344 -","- C96 H126.752 N28 O25.376 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.15","0.0759","","","0.1926","0.2308","","","","","","1.018","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033398","11.209","0.003","25.782","0.007","17.261","0.005","90","","92.59","0.005","90","","4983","2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 N12 O6 S -","- C49 H58 N12 O6 S -","- C196 H232 N48 O24 S4 -","4","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1039","0.0929","","","0.2148","0.2214","","","","","","1.209","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033399","12.2074","0.0007","15.747","0.0008","10.7007","0.0006","90","","110.957","0.007","90","","1920.9","0.2","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N12 O8 -","- C38 H36 N12 O8 -","- C76 H72 N24 O16 -","2","0.5","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.107","0.0591","","","0.1326","0.1563","","","","","","1.022","","","","has coordinates","227636","2020-10-21","18:00:00",""
"4033402","6.3017","0.0003","11.7387","0.0005","14.4","0.0006","90","","90","","90","","1065.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Krout, Michael R.; Henry, Christopher E.; Jensen, Thomas; Wu, Kun-Liang; Virgil, Scott C.; Stoltz, Brian M.","Wolff/Cope Approach to the AB Ring of the Sesterterpenoid Variecolin.","The Journal of organic chemistry","2018","83","13","6995","7009","10.1021/acs.joc.7b02972","","","0.71073","MoKα","","0.0301","0.0286","","","0.074","0.0744","","","","","","1.899","","","","has coordinates","227583","2020-10-21","18:00:00",""
"4033403","6.5854","0.0002","16.3469","0.0005","17.4873","0.0004","90","","90","","90","","1882.52","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0373","0.0319","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033404","19.6068","0.0004","11.6765","0.0003","19.545","0.0004","90","","90","","90","","4474.61","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C43 H56 Cl2 N6 O10 -","- C43 H56 Cl2 N6 O10 -","- C172 H224 Cl8 N24 O40 -","4","0.5","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0573","0.0417","","","0.0989","0.1099","","","","","","1.032","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033405","10.826","0.0004","10.8361","0.0004","18.793","0.0006","90","","90","","90","","2204.64","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0745","0.0421","","","0.0886","0.1017","","","","","","1.089","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033406","4.9774","0.0002","12.0515","0.0005","15.8253","0.0007","90","","90","","90","","949.28","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ilie109","","","- C10 H9 I O2 -","- C10 H9 I O2 -","- C40 H36 I4 O8 -","4","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0124","0.0119","","","0.0278","0.028","","","","","","1.065","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033407","19.0529","0.0009","6.5875","0.0003","15.1398","0.0008","90","","103.068","0.001","90","","1851","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ilie75","","","- C10 H9 I O -","- C10 H9 I O -","- C80 H72 I8 O8 -","8","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0153","0.015","","","0.0365","0.0367","","","","","","1.213","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033408","6.807","0.0006","12.0906","0.001","13.8845","0.0011","67.8","0.002","83.447","0.003","73.949","0.003","1016.69","0.15","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","4","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0681","0.0572","","","0.1478","0.1542","","","","","","1.078","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033409","10.046","0.003","10.897","0.003","20.397","0.006","90","","97.917","0.014","90","","2211.6","1.1","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 O2 -","- C27 H30 O2 -","- C108 H120 O8 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.1221","0.0646","","","0.1656","0.1917","","","","","","0.926","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033410","16.1179","0.0013","17.738","0.0014","9.6044","0.0007","90","","105.471","0.001","90","","2646.4","0.4","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Br O3 -","- C30 H31 Br O3 -","- C120 H124 Br4 O12 -","4","1","","Mei, Guang-Jian; Xu, Shao-Li; Zheng, Wen-Qin; Bian, Chen-Yu; Shi, Feng","[4 + 2] Cyclization of para-Quinone Methide Derivatives with Alkynes.","The Journal of organic chemistry","2018","83","3","1414","1421","10.1021/acs.joc.7b02942","","","0.71073","MoKα","","0.0504","0.037","","","0.0907","0.0971","","","","","","1.026","","","","has coordinates","227619","2020-10-21","18:00:00",""
"4033411","11.2487","0.0009","16.8165","0.0014","19.3106","0.0016","90","","90","","90","","3652.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 B2 F8 O2 P2 -","- C34 H42 B2 F8 O2 P2 -","- C136 H168 B8 F32 O8 P8 -","4","1","","Sieber, Joshua D.; Rodriguez, Sonia; Frutos, Rogelio; Buono, Frederic; Zhang, Yongda; Li, Ning; Qu, Bo; Premasiri, Ajith; Li, Zhibin; Han, Zhengxu S.; Xu, Yibo; Byrne, Denis; Haddad, Nizar; Lorenz, Jon; Grinberg, Nelu; Kurouski, Dmitry; Lee, Heewon; Narayanan, Bikshandarkoil; Nummy, Laurence; Mulder, Jason; Brown, Jack D.; Granger, Alice; Gao, Joe; Krawiec, Mariusz; Williams, Zeena; Pennino, Scott; Song, Jinhua J.; Hossain, Azad; Yee, Nathan K.; Busacca, Carl; Roschangar, Frank; Xin, Yanchao; Mao, Zhantong; Zhang, Xinzhu; Hong, Yaping; Senanayake, Chris H.","Development of a Scalable, Chromatography-Free Synthesis of t-Bu-SMS-Phos and Application to the Synthesis of an Important Chiral CF<sub>3</sub>-Alcohol Derivative with High Enantioselectivity Using Rh-Catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2018","83","3","1448","1461","10.1021/acs.joc.7b03022","","","1.54178","CuKα","","0.0927","0.0754","","","0.198","0.2105","","","","","","1.027","","","","has coordinates,has disorder","227621","2020-10-21","18:00:00",""
"4033412","12.72","0.003","21.862","0.004","13.524","0.003","90","","108.38","0.03","90","","3569","1.5","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H66 Cu6 N14 O3 S6 -","- C70 H66 Cu6 N14 O3 S6 -","- C140 H132 Cu12 N28 O6 S12 -","2","1","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0628","0.0542","","","0.1222","0.1302","","","","","","1.078","","","","has coordinates","227623","2020-10-21","18:00:00",""
"4033413","12.8655","0.0012","14.159","0.0013","16.1031","0.0015","115.333","0.002","104.641","0.002","96.319","0.002","2484.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","- C100 H70 Cl12 Cu6 N12 S6 -","1","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.0829","0.058","","","0.117","0.1258","","","","","","1.1","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033414","11.498","0.002","16.85","0.003","22.074","0.004","90","","99.51","0.03","90","","4217.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H66 Cu6 N12 S6 -","- C96 H66 Cu6 N12 S6 -","- C192 H132 Cu12 N24 S12 -","2","0.5","","Zhang, Meng-Juan; Tan, Da-Wei; Li, Hong-Xi; Young, David James; Wang, Hui-Fang; Li, Hai-Yan; Lang, Jian-Ping","Switchable Chemoselective Transfer Hydrogenations of Unsaturated Carbonyls Using Copper(I) N-Donor Thiolate Clusters.","The Journal of organic chemistry","2018","83","3","1204","1215","10.1021/acs.joc.7b02676","","","0.71073","MoKα","","0.1049","0.0701","","","0.1231","0.1394","","","","","","1.127","","","","has coordinates,has disorder","227623","2020-10-21","18:00:00",""
"4033415","8.778","0.0006","9.5962","0.0006","15.1276","0.0011","88.947","0.003","74.264","0.003","67.765","0.003","1130.23","0.14","304.6","","304.6","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C52 H48 O16 -","2","1","","Singh, Dileep Kumar; Kim, Ikyon","Skeletal Reorganization: Synthesis of Diptoindonesin G from Pauciflorol F.","The Journal of organic chemistry","2018","83","3","1667","1672","10.1021/acs.joc.7b03089","","","0.71073","MoKα","","0.1324","0.0635","","","0.1057","0.1265","","","","","","1.077","","","","has coordinates","227625","2020-10-21","18:00:00",""
"4033416","7.81","0.005","10.638","0.005","13.879","0.005","79.989","0.005","85.653","0.005","70.974","0.005","1073.3","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O4 -","- C25 H26 N2 O4 -","- C50 H52 N4 O8 -","2","1","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71073","MoKα","","0.0877","0.0521","","","0.1244","0.1499","","","","","","1.095","","","","has coordinates","227628","2020-10-21","18:00:00",""
"4033417","11.123","0.005","11.216","0.005","18.015","0.005","104.581","0.005","101.069","0.005","97.47","0.005","2096.7","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 F N2 O4 -","- C22 H27 F N2 O4 -","- C88 H108 F4 N8 O16 -","4","2","","Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K.","Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes.","The Journal of organic chemistry","2018","83","3","1106","1115","10.1021/acs.joc.7b02315","","","0.71069","MoKα","","0.1953","0.0748","","","0.1221","0.1546","","","","","","0.982","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033418","14.1899","0.001","15.0564","0.0008","18.4072","0.0012","90","","90","","90","","3932.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 Cl N4 -","- C22 H23 Cl N4 -","- C176 H184 Cl8 N32 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1462","0.1302","","","0.2921","0.3034","","","","","","1.819","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033419","16.3083","0.0005","9.767","0.0004","19.6225","0.0008","90","","90","","90","","3125.5","0.2","150","","150","","","","","","","","synthesis as described","3","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C160 H152 N24 -","8","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.1016","0.1091","","","","","","1.049","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033420","17.6113","0.0019","9.5321","0.001","9.6776","0.0009","90","","92.417","0.003","90","","1623.2","0.3","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0634","0.0518","","","0.1316","0.1385","","","","","","1.103","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033421","9.078","0.006","6.161","0.003","34.4","0.02","90","","94.14","0.02","90","","1919","1.9","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1056","0.0653","","","0.1713","0.1945","","","","","","1.05","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033422","8.5778","0.0006","13.4422","0.001","14.8404","0.0012","77.608","0.003","82.915","0.003","71.874","0.003","1585.4","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H32 N2 S4 -","- C36 H32 N2 S4 -","- C72 H64 N4 S8 -","2","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0737","0.0459","","","0.1008","0.1119","","","","","","1.019","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033423","13.6137","0.0008","6.1328","0.0003","20.1964","0.0011","90","","102.919","0.003","90","","1643.52","0.16","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.094","0.0703","","","0.1896","0.2166","","","","","","0.874","","","","has coordinates,has disorder","227632","2020-10-21","18:00:00",""
"4033424","6.2768","0.0012","11.5391","0.0017","25.917","0.004","90","","91.65","0.009","90","","1876.4","0.5","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.1247","0.0987","","","0.2511","0.2714","","","","","","1.131","","","","has coordinates","227632","2020-10-21","18:00:00",""
"4033425","42.452","0.003","8.5066","0.0005","9.6005","0.0007","90","","98.667","0.002","90","","3427.4","0.4","150","","150","","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C160 H144 N16 S16 -","8","2","","Gramage-Doria, Rafael; Achelle, Sylvain; Bruneau, Christian; Robin-le Guen, Françoise; Dorcet, Vincent; Roisnel, Thierry","Ruthenium(II)-Catalyzed C-H (Hetero)Arylation of Alkenylic 1,n-Diazines (n = 2, 3, and 4): Scope, Mechanism, and Application in Tandem Hydrogenations.","The Journal of organic chemistry","2018","83","3","1462","1477","10.1021/acs.joc.7b03024","","x-ray","0.71073","MoKα","","0.0562","0.0471","","","0.1106","0.1167","","","","","","0.968","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033426","4.8449","0.0003","23.9147","0.0013","8.5862","0.0006","90","","105.37","0.007","90","","959.25","0.11","129.95","0.1","129.95","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N3 O4 S -","- C18 H27 N3 O4 S -","- C36 H54 N6 O8 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","","1.5418","CuKα","","0.0717","0.0598","","","0.148","0.1629","","","","","","1.043","","","","has coordinates,has disorder","288197","2023-12-08","18:09:38",""
"4033427","14.377","0.0004","16.1729","0.0004","9.375","0.0002","90","","91.987","0.003","90","","2178.54","0.09","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N4 O5 -","- C21 H30 N4 O5 -","- C84 H120 N16 O20 -","4","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.0835","0.0525","","","0.1155","0.1336","","","","","","1.028","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033428","10.2751","0.0006","10.9293","0.0005","11.4868","0.0005","63.848","0.004","75.238","0.005","85.703","0.004","1118.65","0.11","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H33 N3 O3 S -","- C22 H33 N3 O3 S -","- C44 H66 N6 O6 S2 -","2","1","","Abdelraheem, Eman M. M.; Khaksar, Samad; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Shaabani, Shabnam; Dömling, Alexander","Two-Step Macrocycle Synthesis by Classical Ugi Reaction.","The Journal of organic chemistry","2018","83","3","1441","1447","10.1021/acs.joc.7b02984","","x-ray","0.71073","MoKα","","0.1241","0.1178","","","0.3688","0.3714","","","","","","1.098","","","","has coordinates","227605","2020-10-21","18:00:00",""
"4033429","8.552","0.003","14.315","0.005","19.352","0.007","90","","90","","90","","2369.1","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C104 H108 N4 O20 S4 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1044","0.0477","","","0.1113","0.1469","","","","","","0.929","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033430","16.1887","0.0015","6.0567","0.0006","21.921","0.002","90","","111.15","0.003","90","","2004.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.0918","0.047","","","0.1346","0.1588","","","","","","1.007","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033431","14.214","0.003","10.495","0.003","19.36","0.005","90","","105.677","0.006","90","","2780.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 S2 -","- C27 H30 N2 O6 S2 -","- C108 H120 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1493","0.072","","","0.1367","0.1641","","","","","","1.054","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033432","10.5391","0.0004","11.194","0.0005","12.4871","0.0006","102.315","0.004","109.424","0.004","105.574","0.004","1261.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N2 O6 S -","- C25 H32 N2 O6 S -","- C50 H64 N4 O12 S2 -","2","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0457","0.04","","","0.1007","0.1054","","","","","","1.066","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033433","13.3456","0.0008","10.2748","0.0007","19.6583","0.0017","90","","90","","90","","2695.6","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","x-ray","0.71073","MoKα","","0.0846","0.0639","","","0.1415","0.158","","","","","","1.044","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033434","10.9306","0.0018","10.966","0.0018","10.9747","0.0018","86.834","0.002","84.597","0.002","61.446","0.002","1150.3","0.3","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0894","0.054","","","0.1259","0.1391","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033435","10.3936","0.0012","13.0178","0.0016","16.0441","0.0019","100.373","0.002","92.08","0.002","92.163","0.002","2131.7","0.4","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1078","0.0585","","","0.1205","0.1508","","","","","","1.012","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033436","10.4878","0.0012","10.7169","0.0012","10.7804","0.0012","90","","101.988","0.002","90","","1185.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C64 H48 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.056","0.05","","","0.1342","0.1397","","","","","","1.064","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033437","9.0161","0.0009","9.3663","0.001","16.0999","0.0016","77.857","0.001","85.231","0.001","69.991","0.001","1248.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H18 F6 O2 -","- C32 H18 F6 O2 -","- C64 H36 F12 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0777","0.0526","","","0.1385","0.1631","","","","","","1.051","","","","has coordinates,has disorder","227530","2020-10-21","18:00:00",""
"4033438","9.019","0.002","24.9","0.005","10.765","0.002","90","","98.326","0.003","90","","2392","0.8","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","0.5","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0726","0.0482","","","0.1197","0.1468","","","","","","1.104","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033439","3.864","0.0011","10.515","0.003","13.701","0.004","90","","92.688","0.004","90","","556.1","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H9 Cl O -","- C15 H9 Cl O -","- C30 H18 Cl2 O2 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0794","0.0522","","","0.1085","0.1236","","","","","","1.087","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033440","11.1685","0.0007","10.7853","0.0007","18.9822","0.0011","90","","106.119","0.001","90","","2196.6","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0537","0.0399","","","0.0972","0.1057","","","","","","1.041","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033441","9.9579","0.0011","17.3275","0.0019","12.0829","0.0013","90","","96.297","0.002","90","","2072.3","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.05","0.0401","","","0.0967","0.1035","","","","","","1.043","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033442","41.029","0.004","9.251","0.0009","31.065","0.003","90","","126.324","0.001","90","","9499.8","1.6","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C512 H384 O64 -","32","4","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.1419","0.0598","","","0.1374","0.1802","","","","","","0.925","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033443","10.6655","0.0018","15.265","0.003","15.421","0.003","71.401","0.002","76.345","0.002","82.394","0.002","2307.9","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cl2 O2 -","- C30 H18 Cl2 O2 -","- C120 H72 Cl8 O8 -","4","2","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0859","0.0529","","","0.1288","0.1589","","","","","","1.052","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033444","9.9961","0.0009","10.5492","0.0009","10.7931","0.0009","89.069","0.001","65.605","0.001","88.511","0.001","1036.16","0.16","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H20 O2 -","- C30 H20 O2 -","- C60 H40 O4 -","2","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0545","0.0429","","","0.1015","0.1108","","","","","","1.027","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033445","3.8335","0.0002","10.3188","0.0004","26.6901","0.0011","90","","93.597","0.002","90","","1053.7","0.08","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 F O -","- C15 H9 F O -","- C60 H36 F4 O4 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","1.54178","CuKα","","0.0574","0.0553","","","0.1534","0.1555","","","","","","1.062","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033446","15.535","0.003","7.9072","0.0014","17.8","0.003","90","","95.106","0.003","90","","2177.8","0.7","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 F2 O2 -","- C30 H18 F2 O2 -","- C120 H72 F8 O8 -","4","1","","Uemura, Naohiro; Ishikawa, Hiroki; Tamura, Naoki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Stereoselective Photodimerization of 3-Arylindenones in Solution and in the Solid State.","The Journal of organic chemistry","2018","83","4","2256","2262","10.1021/acs.joc.7b03147","","","0.71073","MoKα","","0.0755","0.0489","","","0.1117","0.1337","","","","","","1.047","","","","has coordinates","227530","2020-10-21","18:00:00",""
"4033447","9.831","0.005","9.914","0.005","13.521","0.005","97.504","0.005","96.367","0.005","103.575","0.005","1256.3","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 O2 Si -","- C28 H34 O2 Si -","- C56 H68 O4 Si2 -","2","1","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.0616","0.0491","","","0.1274","0.134","","","","","","1.026","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033448","9.435","0.005","23.467","0.011","11.844","0.005","90","","95.89","0.03","90","","2609","2","299","2","299.59","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H0.12 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","4","","Acharyya, Ranjan Kumar; Rej, Rohan Kalyan; Nanda, Samik","Exploration of Ring Rearrangement Metathesis Reaction: A General and Flexible Approach for the Rapid Construction [5,n]-Fused Bicyclic Systems en Route to Linear Triquinanes.","The Journal of organic chemistry","2018","83","4","2087","2103","10.1021/acs.joc.7b03021","","","0.71073","MoKα","","0.5598","0.1736","","","0.2831","0.4532","","","","","","0.902","","","","has coordinates","227544","2020-10-21","18:00:00",""
"4033449","8.198","0.005","8.834","0.005","12.549","0.005","94.382","0.005","96.169","0.005","111.538","0.005","833.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 O4 S2 -","- C20 H14 O4 S2 -","- C40 H28 O8 S4 -","2","1","","Shukla, Gaurav; Srivastava, Abhijeet; Yadav, Dhananjay; Singh, Maya Shankar","Copper-Catalyzed One-Pot Cross-Dehydrogenative Thienannulation: Chemoselective Access to Naphtho[2,1-b]thiophene-4,5-diones and Subsequent Transformation to Benzo[a]thieno[3,2-c]phenazines.","The Journal of organic chemistry","2018","83","4","2173","2181","10.1021/acs.joc.7b03092","","","0.71069","MoKα","","0.0428","0.0344","","","0.0854","0.0899","","","","","","1.052","","","","has coordinates","227529","2020-10-21","18:00:00",""
"4033450","9.7466","0.0001","9.7676","0.0001","10.7026","0.00001","85.274","0.0005","77.964","0.0005","88.03","0.0005","992.956","0.015","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","Goli, Navya; Kallepu, Shivakrishna; Mainkar, Prathama S.; Lakshmi, Jerripothula K.; Chegondi, Rambabu; Chandrasekhar, Srivari","Synthetic Strategy toward the Pentacyclic Core of Melodinus Alkaloids.","The Journal of organic chemistry","2018","83","4","2244","2249","10.1021/acs.joc.7b03138","","","0.71073","MoKα","","0.0581","0.0467","","","0.1219","0.1298","","","","","","1.04","","","","has coordinates","227532","2020-10-21","18:00:00",""
"4033451","5.48695","0.00006","21.501","0.0003","13.58645","0.00016","90","","95.1653","0.0011","90","","1596.35","0.03","100.02","0.1","100.02","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0343","","","0.0856","0.0874","","","","","","1.035","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033452","13.3733","0.0004","8.5291","0.0003","15.5173","0.0006","90","","102.817","0.003","90","","1725.84","0.11","150","0.1","150","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0563","0.0508","","","0.1333","0.1399","","","","","","1.056","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033453","8.2565","0.0002","8.9113","0.0002","12.9798","0.0003","103.393","0.002","104.933","0.002","101.202","0.002","864.27","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 Br O4 -","- C20 H17 Br O4 -","- C40 H34 Br2 O8 -","2","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0287","0.0281","","","0.0756","0.0761","","","","","","1.084","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033454","8.30129","0.00008","22.3383","0.0002","8.97393","0.0001","90","","96.2433","0.001","90","","1654.23","0.03","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0366","0.0341","","","0.0851","0.0871","","","","","","1.04","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033455","8.6301","0.0006","8.6645","0.0007","22.6154","0.0012","81.578","0.005","89.377","0.005","88.703","0.006","1672.4","0.2","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","2","","Liu, Yu-Jie; Ding, Ya-Li; Niu, Shuang-Shuo; Ma, Jin-Tao; Cheng, Ying","N-Heterocyclic Carbene/Palladium Cascade Catalysis: Construction of 2,2-Disubstitiuted Benzofuranones from the Reaction of 3-(2-Formylphenoxy)propenoates with Allylic Esters.","The Journal of organic chemistry","2018","83","4","1913","1923","10.1021/acs.joc.7b02849","","x-ray","1.54184","CuKα","","0.0516","0.0445","","","0.1115","0.118","","","","","","1.043","","","","has coordinates","227535","2020-10-21","18:00:00",""
"4033456","35.6381","0.0016","6.3353","0.0002","14.7029","0.0007","90","","111.535","0.003","90","","3087.9","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","1","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0613","0.0472","","","0.1265","0.1368","","","","","","1.008","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033457","8.3163","0.0001","14.7164","0.0002","24.3781","0.0004","90","","90.414","0.001","90","","2983.46","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F3 N O4 -","- C15 H14 F3 N O4 -","- C120 H112 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0691","0.0443","","","0.1004","0.1129","","","","","","1.038","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033458","8.362","0.0002","33.0398","0.0007","11.7333","0.0003","90","","108.816","0.0007","90","","3068.42","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N O4 -","- C16 H16 F3 N O4 -","- C128 H128 F24 N8 O32 -","8","2","","Lefebvre, Corentin; Michelin, Clément; Martzel, Thomas; Djou'ou Mvondo, Vaneck; Bulach, Véronique; Abe, Manabu; Hoffmann, Norbert","Photochemically Induced Intramolecular Radical Cyclization Reactions with Imines.","The Journal of organic chemistry","2018","83","4","1867","1875","10.1021/acs.joc.7b02810","","","0.71073","MoKα","","0.0627","0.0463","","","0.107","0.1154","","","","","","1.014","","","","has coordinates","227551","2020-10-21","18:00:00",""
"4033459","8.3873","0.0007","9.3221","0.0008","22.9755","0.0019","90","","90","","90","","1796.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Rodríguez, Ricardo I; Ramírez, Elsie; Yuste, Francisco; Sánchez-Obregón, Rubén; Alemán, José","Asymmetric Synthesis of Secondary and Tertiary Propargylic Alcohols by Umpolung of Acetylenic Sulfones and ortho-Sulfinyl Carbanions.","The Journal of organic chemistry","2018","83","4","1940","1947","10.1021/acs.joc.7b02887","","","0.71073","MoKα","","0.0885","0.0585","","","0.0937","0.1087","","","","","","1.08","","","","has coordinates","227540","2020-10-21","18:00:00",""
"4033460","6.97","0.0003","10.2932","0.0005","23.6169","0.0013","90","","90","","90","","1694.36","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O3 S2 -","- C17 H15 N3 O3 S2 -","- C68 H60 N12 O12 S8 -","4","1","","Radhakrishnan, Rakesh; Sreejalekshmi, K. G.","Computational Design, Synthesis, and Structure Property Evaluation of 1,3-Thiazole-Based Color-Tunable Multi-heterocyclic Small Organic Fluorophores as Multifunctional Molecular Materials.","The Journal of organic chemistry","2018","83","7","3453","3466","10.1021/acs.joc.7b02978","","","0.71073","MoKα","","0.0334","0.0292","","","0.0741","0.079","","","","","","1.074","","","","has coordinates","227601","2020-10-21","18:00:00",""
"4033461","13.2276","0.0005","13.663","0.0005","19.1637","0.0007","104.17","0.003","98.467","0.003","113.339","0.004","2965","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H66 Cl2 K N10 O6 -","- C64 H66 Cl2 K N10 O6 -","- C128 H132 Cl4 K2 N20 O12 -","2","1","","Konarev, Dmitri V.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Solid State Structure, and Optical and Magnetic Properties, of Free Base Tetra(4-pyridyl)porphyrin {H<sub>2</sub>T(4-Py)P}<sup>•-</sup> Radical Anions.","The Journal of organic chemistry","2018","83","4","1861","1866","10.1021/acs.joc.7b02791","","x-ray","0.71073","MoKα","","0.095","0.0619","","","0.1366","0.1526","","","","","","1.024","","","","has coordinates","227547","2020-10-21","18:00:00",""
"4033462","9.0004","0.0007","16.388","0.001","9.7835","0.0008","90","","90.926","0.003","90","","1442.86","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 F N O2 S -","- C14 H14 F N O2 S -","- C56 H56 F4 N4 O8 S4 -","4","2","","Silva, Sandrina; Matsuo, Bianca T.; da Silva, Rodrigo C.; Pozzi, Lucas V.; Correa, Arlene G.; Rollin, Patrick; Zukerman-Schpector, Julio; Ferreira, Marco A. B.; Paixão, Márcio W","Organocatalyzed Asymmetric Vinylogous Addition of Oxazole-2(3H)-thiones to α,β-Unsaturated Ketones: An Additive-Free Approach for Diversification of Heterocyclic Scaffold.","The Journal of organic chemistry","2018","83","4","1701","1716","10.1021/acs.joc.7b02236","","","0.71073","MoKα","","0.0659","0.0472","","","0.1169","0.1283","","","","","","1.033","","","","has coordinates","227524","2020-10-21","18:00:00",""
"4033463","9.4497","0.0004","6.4699","0.0003","12.5564","0.0006","90","","99.507","0.002","90","","757.14","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C34 H52 O4 -","2","1","","Kim, Kelly E.; Adams, Ashley M.; Chiappini, Nicholas D.; Du Bois, J.; Stoltz, Brian M.","Cyanthiwigin Natural Product Core as a Complex Molecular Scaffold for Comparative Late-Stage C-H Functionalization Studies.","The Journal of organic chemistry","2018","83","6","3023","3033","10.1021/acs.joc.7b03291","","","1.54178","CuKα","","0.0422","0.038","","","0.0898","0.0924","","","","","","1.062","","","","has coordinates","227571","2020-10-21","18:00:00",""
"4033464","4.6806","0.0002","33.3839","0.0011","11.9303","0.0004","90","","101.048","0.002","90","","1829.64","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H20 O7 -","- C22 H20 O7 -","- C88 H80 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0263","0.0261","","","0.0832","0.0836","","","","","","0.83","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033465","7.0365","0.0007","15.2618","0.0016","20.961","0.002","90","","90","","90","","2251","0.4","119","2","119","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl3 O7 -","- C23 H21 Cl3 O7 -","- C92 H84 Cl12 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0358","0.0316","","","0.0704","0.072","","","","","","1.008","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033466","11.2892","0.0015","8.9842","0.0011","14.7594","0.0018","90","","96.296","0.005","90","","1487.9","0.3","296","2","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O7 -","- C35 H42 O7 -","- C70 H84 O14 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0364","0.0343","","","0.0909","0.0934","","","","","","1.08","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033467","8.9952","0.0005","10.1174","0.0006","15.183","0.0008","90","","90.099","0.005","90","","1381.77","0.13","100","0.16","100","0.16","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O5 -","- C32 H36 O5 -","- C64 H72 O10 -","2","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0524","0.042","","","0.0837","0.0897","","","","","","1.049","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033468","11.3559","0.0003","15.9683","0.0003","20.4082","0.0006","90","","90","","90","","3700.71","0.16","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0705","0.0476","","","0.1059","0.117","","","","","","1.114","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033469","18.8918","0.0003","18.8918","0.0003","6.39506","0.00013","90","","90","","120","","1976.61","0.06","100","0.12","100","0.12","","","","","","","","3","P 31","P 31","144","","","","- C30 H32 O5 -","- C30 H32 O5 -","- C90 H96 O15 -","3","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","K-L~3~","0.0635","0.0532","","","0.1469","0.1554","","","","","","1.078","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033470","7.465","0.0005","14.7263","0.001","31.5337","0.0018","90","","90","","90","","3466.6","0.4","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N2 O10 -","- C39 H38 N2 O10 -","- C156 H152 N8 O40 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.7107","MoKα","","0.0675","0.044","","","0.0781","0.0852","","","","","","1.055","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033471","11.5718","0.0008","14.1562","0.0009","22.0456","0.0015","90","","90","","90","","3611.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0744","0.0469","","","0.0996","0.1113","","","","","","1.038","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033472","14.2573","0.0013","19.037","0.002","25.037","0.002","90","","90","","90","","6795.4","1.1","298","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H30 F3 N O -","- C45 H30 F3 N O -","- C360 H240 F24 N8 O8 -","8","1","","Bettadapur, Kiran R.; Kapanaiah, Raja; Lanke, Veeranjaneyulu; Prabhu, Kandikere Ramaiah","Weak Directing Group Steered Formal Oxidative [2+2+2]-Cyclization for Selective Benzannulation of Indoles.","The Journal of organic chemistry","2018","83","4","1810","1818","10.1021/acs.joc.7b02719","","","0.71073","MoKα","","0.2579","0.0816","","","0.1798","0.2787","","","","","","0.927","","","","has coordinates","227546","2020-10-21","18:00:00",""
"4033473","50.666","0.01","18.311","0.004","26.972","0.005","90","","122.15","0.03","90","","21186","10","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C205 H199 Cl12 N39 O39 -","- C205 H198 Cl12 N39 O39 -","- C820 H792 Cl48 N156 O156 -","4","0.5","","Wang, Wei; Zhang, Chenyang; Qi, Shuaiwei; Deng, Xiaoli; Yang, Bing; Liu, Junqiu; Dong, Zeyuan","A Switchable Helical Capsule for Encapsulation and Release of Potassium Ion.","The Journal of organic chemistry","2018","83","4","1898","1902","10.1021/acs.joc.7b02840","","","0.71073","MoKα","","0.1711","0.0709","","","0.1974","0.2396","","","","","","0.925","","","","has coordinates,has disorder","227533","2020-10-21","18:00:00",""
"4033474","13.1795","0.001","7.9817","0.0006","18.5976","0.0013","90","","105.361","0.004","90","","1886.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MCY-593","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0806","0.0466","","","0.1157","0.1325","","","","","","1.059","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033475","7.0232","0.0009","8.8151","0.0011","17.845","0.002","82.58","0.0011","89.993","0.0012","73.8609","0.0012","1051.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","MCY-328","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.051","0.0404","","","0.0972","0.1047","","","","","","1.024","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033476","10.1674","0.0002","15.1172","0.0004","12.4673","0.0003","90","","107.441","0.0013","90","","1828.16","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MCY-589","","","- C23 H16 Br N3 -","- C23 H16 Br N3 -","- C92 H64 Br4 N12 -","4","1","","Baek, Yonghyeon; Maeng, Chanyoung; Kim, Hyunseok; Lee, Phil Ho","Regioselective Synthesis of Indolopyrazines through a Sequential Rhodium-Catalyzed Formal [3+3] Cycloaddition and Aromatization Reaction of Diazoindolinimines with Azirines.","The Journal of organic chemistry","2018","83","4","2349","2360","10.1021/acs.joc.8b00115","","","0.71073","","","0.0666","0.0437","","","0.0897","0.0986","","","","","","1.039","","","","has coordinates","227537","2020-10-21","18:00:00",""
"4033477","10.1384","0.0015","12.1562","0.0017","15.084","0.002","94.346","0.004","92.373","0.004","102.343","0.004","1807.7","0.4","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H35 Br Cl3 N O9 -","- C35 H35 Br Cl3 N O9 -","- C70 H70 Br2 Cl6 N2 O18 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.1101","0.0734","","","0.1923","0.2362","","","","","","1.204","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033478","7.583","0.0008","10.4504","0.0009","11.0381","0.0009","113.612","0.002","97.664","0.004","93.996","0.004","786.99","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.083","0.0487","","","0.1189","0.1502","","","","","","1.137","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033479","8.34194","0.00018","11.931","0.0002","14.0513","0.0003","93.3776","0.0014","101.185","0.0014","104.674","0.0013","1318.56","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 I2 O6 -","- C26 H30 I2 O6 -","- C52 H60 I4 O12 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","1.54187","CuKα","","0.0519","0.044","","","0.1087","0.1216","","","","","","1.077","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033480","10.772","0.005","10.898","0.006","13.504","0.008","106.48","0.02","99.82","0.02","91.99","0.02","1492.1","1.4","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H44 O6 Si -","- C31 H44 O6 Si -","- C62 H88 O12 Si2 -","2","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0581","0.048","","","0.1335","0.1408","","","","","","1.103","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033481","9.7839","0.0007","24.3889","0.0015","10.3536","0.0009","90","","92.947","0.003","90","","2467.3","0.3","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 N O8 -","- C27 H31 N O8 -","- C108 H124 N4 O32 -","4","1","","Tatsuta, Kuniaki; Sekine, Daisuke; Hayama, Shinichi; Kataoka, Yasuhiro; Hayashi, Shinya; Hosokawa, Seijiro","Total Synthesis and Structural Determination of XR774, a Tyrosine Kinase Inhibitor.","The Journal of organic chemistry","2018","83","13","7010","7018","10.1021/acs.joc.7b02997","","","0.71075","MoKα","","0.0773","0.0647","","","0.1735","0.1875","","","","","","1.054","","","","has coordinates","227585","2020-10-21","18:00:00",""
"4033482","10.9679","0.0002","17.732","0.0003","20.2762","0.0004","90","","90","","90","","3943.37","0.13","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Br N4 O6 -","- C44 H41 Br N4 O6 -","- C176 H164 Br4 N16 O24 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0588","0.0381","","","0.0738","0.0789","","","","","","0.974","","","","has coordinates,has disorder","227541","2020-10-21","18:00:00",""
"4033483","5.6523","0.0001","17.3959","0.0004","21.5001","0.0005","90","","90","","90","","2114.04","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C92 H88 Br4 N12 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0417","0.0319","","","0.0594","0.0617","","","","","","0.996","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033484","8.5819","0.0004","10.4353","0.0005","18.294","0.001","90","","90","","90","","1638.31","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O3 -","- C18 H20 Cl N O3 -","- C72 H80 Cl4 N4 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0398","0.0312","","","0.0644","0.0679","","","","","","1.084","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033485","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033486","11.3679","0.0013","11.7476","0.0011","13.3386","0.0013","78.54","0.008","75.237","0.009","76.104","0.009","1654.1","0.3","193","2","193","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H35 Br N O3 -","- C44 H35 Br N O3 -","- C88 H70 Br2 N2 O6 -","2","2","","Aida, Yukimasa; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cycloaddition of Unsymmetrical α,ω-Diynes with Acenaphthylene.","The Journal of organic chemistry","2018","83","5","2617","2626","10.1021/acs.joc.7b03042","","x-ray","0.71073","MoKα","","0.1812","0.0873","","","0.1905","0.2422","","","","","","0.994","","","","has coordinates","227521","2020-10-21","18:00:00",""
"4033487","5.9406","0.0002","13.479","0.0007","22.5785","0.0015","90","","91.817","0.005","90","","1807.03","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N -","- C25 H23 N -","- C100 H92 N4 -","4","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71073","MoKα","","0.0708","0.0471","","","0.1071","0.1177","","","","","","1.019","","","","has coordinates","227543","2020-10-21","18:00:00",""
"4033488","14.0083","0.0012","15.8585","0.001","18.1756","0.0015","98.852","0.006","110.605","0.008","104.194","0.006","3533.4","0.6","119.9","","119.9","","","","","","","","","5","P -1","-P 1","2","","","","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","- C124 H118 Cl30 N24 O12 -","1","0.5","","Fiala, Tomas; Sleziakova, Kristina; Marsalek, Kamil; Salvadori, Karolina; Sindelar, Vladimir","Thermodynamics of Halide Binding to a Neutral Bambusuril in Water and Organic Solvents.","The Journal of organic chemistry","2018","83","4","1903","1912","10.1021/acs.joc.7b02846","","","1.5418","CuKα","","0.288","0.1364","","","0.332","0.4382","","","","","","1.044","","","","has coordinates,has disorder","227527","2020-10-21","18:00:00",""
"4033489","14.8423","0.0007","6.5103","0.0005","19.3939","0.0016","90","","94.557","0.005","90","","1868.1","0.2","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","2","","Sun, Meng; Zhu, Zi-Qi; Gu, Ling; Wan, Xiao; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Dearomative [3 + 2] Cycloaddition of Electron-Deficient Indoles with All-Carbon 1,3-Dipoles.","The Journal of organic chemistry","2018","83","4","2341","2348","10.1021/acs.joc.7b03259","","","1.54178","CuKα","","0.0526","0.046","","","0.0981","0.103","","","","","","1.078","","","","has coordinates","227534","2020-10-21","18:00:00",""
"4033490","29.4324","0.0013","26.5753","0.0012","6.9714","0.0004","90","","90","","90","","5452.9","0.5","293.59","0.1","293.59","0.1","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C224 H232 N8 O16 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1208","0.0905","","","0.2444","0.2668","","","","","","1.059","","","","has coordinates,has disorder","227536","2020-10-21","18:00:00",""
"4033491","28.823","0.003","6.1859","0.0006","10.1655","0.001","90","","98.975","0.011","90","","1790.3","0.3","198","130","198","130","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O3 S -","- C24 H17 N O3 S -","- C96 H68 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.1061","0.0748","","","0.2011","0.225","","","","","","1.025","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033492","9.8231","0.0012","26.649","0.003","18.153","0.002","90","","104.358","0.003","90","","4603.6","0.9","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N2 O4 S2 -","- C56 H58 N2 O4 S2 -","- C224 H232 N8 O16 S8 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.14","0.069","","","0.1732","0.2124","","","","","","1.02","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033493","13.6323","0.0002","15.09644","0.00019","25.7076","0.0003","90","","90","","90","","5290.6","0.12","185","0.1","185","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.0931","0.103","","","","","","1.043","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033494","8.6888","0.0002","8.722","0.0002","16.7794","0.0004","88.443","0.002","80.206","0.002","70.222","0.002","1178.52","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N O3 S -","- C28 H31 N O3 S -","- C56 H62 N2 O6 S2 -","2","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.1041","0.1083","","","","","","1.05","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033495","7.3734","0.0004","12.7312","0.0006","14.7746","0.0007","80.569","0.004","80.605","0.004","84.52","0.004","1346.45","0.12","295","5","295","5","","","","","","","","5","P 1","P 1","1","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C60 H52 N4 O12 S4 -","4","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","1.54184","CuKα","","0.0878","0.0772","","","0.2233","0.2437","","","","","","1.057","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033496","11.4514","0.0004","11.4917","0.0003","11.8877","0.0005","112.31","0.003","117.995","0.004","91.276","0.003","1238.85","0.1","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H25 N O -","- C32 H25 N O -","- C64 H50 N2 O2 -","2","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0453","0.0416","","","0.1156","0.1195","","","","","","1.041","","","","has coordinates","227549","2020-10-21","18:00:00",""
"4033497","10.2656","0.001","10.2864","0.001","18.0426","0.0018","78.82","0.004","76.003","0.004","68.308","0.004","1706.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","± ((2R,3R)-5-(dimethylamino)-4-nitro-3-phenyl-2,3-dihydrothiophen-2-yl) (phenyl)methanone","","- C19 H18.25 N2 O3.12 S -","- C19 H18.25 N2 O3.125 S -","- C76 H73 N8 O12.5 S4 -","4","2","","Neuhaus, James D.; Angyal, Peter; Oost, Rik; Maulide, Nuno","(3+2) Cycloadditions of Thiouronium Ylides: A Room-Temperature, One-Pot Approach to Dihydrothiophenes.","The Journal of organic chemistry","2018","83","4","2479","2485","10.1021/acs.joc.7b03255","","x-ray","0.71073","MoKα","","0.0354","0.0319","","","0.0832","0.0855","","","","","","1.031","","","","has coordinates,has disorder","227526","2020-10-21","18:00:00",""
"4033498","9.871","0.0004","13.501","0.0005","16.5306","0.0006","90","","97.2531","0.0011","90","","2185.38","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Cl3 -","- C29 H17 Cl3 -","- C116 H68 Cl12 -","4","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.0685","0.047","","","0.1115","0.1241","","","","","","1.019","","","","has coordinates","227538","2020-10-21","18:00:00",""
"4033499","9.5269","0.0011","9.7728","0.0011","18.425","0.002","76.997","0.002","81.579","0.001","72.555","0.001","1588.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 N O6 S -","- C34 H45 N O6 S -","- C68 H90 N2 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0398","0.0367","","","0.0953","0.0984","","","","","","1.037","","","","has coordinates","227539","2020-10-21","18:00:00",""
"4033500","7.1482","0.0005","10.6504","0.0007","11.8975","0.0008","67.722","0.003","80.069","0.003","84.547","0.003","825.16","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C34 H28 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0347","0.0314","","","0.0786","0.0808","","","","","","1.048","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033501","9.129","0.0008","18.409","0.0016","9.3444","0.0008","90","","110.511","0.003","90","","1470.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F O4 S -","- C17 H13 F O4 S -","- C68 H52 F4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0459","0.0357","","","0.0816","0.0872","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033502","8.922","0.002","10.14","0.002","10.581","0.002","95.636","0.005","113.616","0.004","113.126","0.004","768.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C36 H32 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0457","0.0364","","","0.0928","0.0984","","","","","","1.036","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033503","10.374","0.003","11.581","0.003","19.365","0.005","89.312","0.006","79.036","0.006","81.936","0.007","2261.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F2 O4 S -","- C17 H12 F2 O4 S -","- C102 H72 F12 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0759","0.0501","","","0.1233","0.1405","","","","","","1.024","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033504","29.6762","0.0012","13.3274","0.0005","8.2384","0.0003","90","","97.188","0.001","90","","3232.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C136 H128 N16 O24 S8 -","8","2","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0637","0.0468","","","0.112","0.1233","","","","","","1.075","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033505","13.411","0.0006","10.1144","0.0004","18.3473","0.001","90","","90","","90","","2488.7","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.1095","0.0752","","","0.1893","0.2093","","","","","","1.092","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033506","5.9308","0.0011","15.169","0.003","17.477","0.003","90","","95.622","0.005","90","","1564.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N6 O3 -","- C42.048 H29.952 N6 O2.952 -","- C84.096 H59.904 N12 O5.904 -","2","0.5","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0741","0.0427","","","0.0977","0.1118","","","","","","1.031","","","","has coordinates,has disorder","227525","2020-10-21","18:00:00",""
"4033507","3.7669","0.0004","22.031","0.002","5.8049","0.0006","90","","94.543","0.003","90","","480.23","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Chang, Meng-Yang; Chen, Yu-Hsin; Wang, Heui-Sin","Cu(OAc)<sub>2</sub> Mediated Synthesis of 3-Sulfonyl Chromen-4-ones.","The Journal of organic chemistry","2018","83","4","2361","2368","10.1021/acs.joc.8b00177","","","0.71073","MoKα","","0.0338","0.0327","","","0.0921","0.0929","","","","","","1.187","","","","has coordinates","227525","2020-10-21","18:00:00",""
"4033508","19.3193","0.0014","5.7445","0.0004","17.458","0.0012","90","","109.594","0.006","90","","1825.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Peneau, Augustin; Retailleau, Pascal; Guillou, Catherine; Chabaud, Laurent","Rhodium(III)-Catalyzed Synthesis of Spiropiperidine Derivatives via C-H Activation.","The Journal of organic chemistry","2018","83","4","2324","2340","10.1021/acs.joc.7b03252","","","0.71075","MoKα","","0.0667","0.0455","","","0.1081","0.1239","","","","","","1.044","","","","has coordinates","227550","2020-10-21","18:00:00",""
"4033509","11.029","0.015","9.057","0.012","9.072","0.012","90","","108.1","0.02","90","","861","2","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O -","- C9 H8 Cl N O -","- C36 H32 Cl4 N4 O4 -","4","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0747","0.0457","","","0.1264","0.1453","","","","","","1.059","","","","has coordinates","227531","2020-10-21","18:00:00",""
"4033510","13.99","0.03","13.738","0.018","18.76","0.03","90","","107","0.09","90","","3448","10","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H21 B Fe N10 -","- C44 H21 B Fe N10 -","- C176 H84 B4 Fe4 N40 -","4","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0596","0.0543","","","0.14","0.147","","","","","","1.146","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033511","11.45","0.02","17.62","0.03","37.95","0.07","90","","98.9","0.07","90","","7564","2","122","2","122","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C49 H29 B Fe N10 -","- C49 H29 B Fe N10 -","- C392 H232 B8 Fe8 N80 -","8","2","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.1386","0.1024","","","0.2165","0.2348","","","","","","1.095","","","","has coordinates","227548","2020-10-21","18:00:00",""
"4033512","10.098","0.004","13.103","0.005","14.443","0.005","90","","90","","90","","1911","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Hunter, Arianne C.; Schlitzer, Steven C.; Stevens, Joseph C.; Almutwalli, Bilal; Sharma, Indrajeet","A Convergent Approach to Diverse Spiroethers through Stereoselective Trapping of Rhodium Carbenoids with Gold-Activated Alkynols.","The Journal of organic chemistry","2018","83","5","2744","2752","10.1021/acs.joc.7b03196","","","0.71073","MoKα","","0.0994","0.0514","","","0.1174","0.1478","","","","","","1.027","","","","has coordinates","227519","2020-10-21","18:00:00",""
"4033513","11.441","0.0012","14.034","0.002","15.161","0.0018","85.082","0.007","81.85","0.007","69.799","0.007","2259.7","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H55 Cl3 Cs N8 O5.5 -","- C42 H53.5 Cl3 Cs N8 O5.5 -","- C84 H107 Cl6 Cs2 N16 O11 -","2","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.1399","0.0808","","","0.1699","0.1942","","","","","","1.468","","","","has coordinates,has disorder","227520","2020-10-21","18:00:00",""
"4033514","10.2117","0.001","9.0778","0.0007","10.8267","0.0012","90","","104.155","0.01","90","","973.16","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 Br N2 O6 -","- C19 H21 Br N2 O6 -","- C38 H42 Br2 N4 O12 -","2","1","","Jia, Zhi-Jun; Takayama, Hiroshi; Futamura, Yushi; Aono, Harumi; Bauer, Jonathan O.; Strohmann, Carsten; Antonchick, Andrey P.; Osada, Hiroyuki; Waldmann, Herbert","Catalytic Enantioselective Synthesis of a Pyrrolizidine-Alkaloid-Inspired Compound Collection with Antiplasmodial Activity.","The Journal of organic chemistry","2018","83","13","7033","7041","10.1021/acs.joc.7b03202","","","0.71073","MoKα","","0.0914","0.0454","","","0.0532","0.0559","","","","","","1.003","","","","has coordinates","227584","2020-10-21","18:00:00",""
"4033515","7.052","0.0005","22.3291","0.0013","27.6452","0.0017","90","","90","","90","","4353.1","0.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N3 O6 S -","- C21 H20.5 Br N3 O6 S -","- C168 H164 Br8 N24 O48 S8 -","8","2","","Zhang, Jun-Qi; Tong, Feifei; Sun, Bing-Bing; Fan, Wei-Tai; Chen, Jun-Bo; Hu, Dandan; Wang, Xing-Wang","Pd-Catalyzed Asymmetric Dearomative Cycloaddition for Construction of Optically Active Pyrroloindoline and Cyclopentaindoline Derivatives: Access to 3a-Aminopyrroloindolines.","The Journal of organic chemistry","2018","83","5","2882","2891","10.1021/acs.joc.8b00046","","","0.71073","MoKα","","0.0724","0.0486","","","0.0964","0.1244","","","","","","1.071","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4033516","6.776","0.002","10.643","0.003","11.371","0.004","90.537","0.011","106.826","0.009","94.317","0.008","782.3","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.1633","0.0586","","","0.1347","0.2079","","","","","","0.875","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033517","14.0516","0.001","12.5217","0.0009","15.0866","0.0011","90","","117.487","0.001","90","","2354.8","0.3","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br N O4 S -","- C26 H24 Br N O4 S -","- C104 H96 Br4 N4 O16 S4 -","4","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.052","0.033","","","0.0748","0.0815","","","","","","1.005","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033518","15.4536","0.0015","12.9941","0.0012","24.233","0.002","90","","90","","90","","4866.1","0.8","130","","130","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C224 H216 N8 O40 S8 -","8","1","","Yang, Jianguo; Mo, Hanjie; Jin, Xiuxiu; Cao, Dongdong; Wu, Haijian; Chen, Di; Wang, Zhiming","Vinylogous Elimination/Heck Coupling/Allylation Domino Reactions: Access to 2-Substituted 2,3-Dihydrobenzofurans and Indolines.","The Journal of organic chemistry","2018","83","5","2592","2600","10.1021/acs.joc.7b02986","","","0.71073","MoKα","","0.0817","0.0486","","","0.103","0.1182","","","","","","1.009","","","","has coordinates","227523","2020-10-21","18:00:00",""
"4033519","6.3289","0.0005","14.3422","0.0011","18.7478","0.0015","90","","96.896","0.008","90","","1689.4","0.2","169.9","","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F2 N2 O3 -","- C20 H16 F2 N2 O3 -","- C80 H64 F8 N8 O12 -","4","1","","Zhang, Pingshun; Pan, Shanfei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Palladium-Catalyzed Sequential Heteroarylation/Acylation Reactions of Iodobenzenes: Synthesis of Functionalized Benzo[ d]oxazoles.","The Journal of organic chemistry","2018","83","6","3354","3360","10.1021/acs.joc.7b03055","","","0.71073","MoKα","","0.0719","0.0477","","","0.111","0.1283","","","","","","1.042","","","","has coordinates","227580","2020-10-21","18:00:00",""
"4033520","6.7171","0.0008","7.6452","0.0009","14.3038","0.0018","100.606","0.004","94.579","0.004","98.384","0.004","709.98","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H10 F4 -","- C22 H10 F4 -","- C44 H20 F8 -","2","1","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.0748","0.0499","","","0.1388","0.1578","","","","","","1.1","","","","has coordinates","227574","2020-10-21","18:00:00",""
"4033521","7.4133","0.0003","11.6571","0.0006","18.6337","0.0009","88.156","0.004","87.588","0.004","77.8","0.004","1572.07","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","2","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","1.54184","CuKα","","0.0599","0.0439","","","0.1103","0.1224","","","","","","1.022","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033522","12.8169","0.0005","7.219","0.0003","16.4865","0.0006","90","","99.444","0.004","90","","1504.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","0.71073","MoKα","","0.0515","0.0408","","","0.0951","0.1028","","","","","","1.046","","","","has coordinates","227578","2020-10-21","18:00:00",""
"4033523","5.7571","0.0004","18.4857","0.0013","17.589","0.0013","90","","94.41","0.004","90","","1866.4","0.2","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F2 N O -","- C25 H19 F2 N O -","- C100 H76 F8 N4 O4 -","4","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.1046","0.0572","","","0.1211","0.1384","","","","","","1.037","","","","has coordinates","227582","2020-10-21","18:00:00",""
"4033524","5.6561","0.0003","9.7402","0.0004","19.2384","0.0009","102.673","0.003","96.75","0.003","97.299","0.003","1014.03","0.08","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 F2 N O2 -","- C26 H21 F2 N O2 -","- C52 H42 F4 N2 O4 -","2","1","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","0.71073","MoKα","","0.0724","0.0507","","","0.1258","0.139","","","","","","1.038","","","","has coordinates,has disorder","227582","2020-10-21","18:00:00",""
"4033525","12.5464","0.00016","7.0703","0.0001","15.098","0.0002","90","","105.623","0.0005","90","","1289.81","0.03","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Gouthami, Pashikanti; Chavan, Lahu N.; Chegondi, Rambabu; Chandrasekhar, Srivari","Syntheses of 2-Aroyl Benzofurans through Cascade Annulation on Arynes.","The Journal of organic chemistry","2018","83","6","3325","3332","10.1021/acs.joc.8b00360","","","0.71073","MoKα","","0.0655","0.05","","","0.1351","0.1456","","","","","","1.06","","","","has coordinates","227573","2020-10-21","18:00:00",""
"4033526","5.364","0.0002","10.4478","0.0003","19.1395","0.0006","90","","90","","90","","1072.62","0.06","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O7 -","- C10 H8 N2 O7 -","- C40 H32 N8 O28 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","1.54184","CuKα","","0.0225","0.0224","","","0.0582","0.0584","","","","","","1.081","","","","has coordinates","227576","2020-10-21","18:00:00",""
"4033527","11.508","0.004","9.58","0.004","23.335","0.009","90","","101.596","0.006","90","","2520.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 Br O4 S -","- C29 H25 Br O4 S -","- C116 H100 Br4 O16 S4 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0899","0.0609","","","0.1625","0.1951","","","","","","0.825","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033528","8.6534","0.0011","20.771","0.003","11.3478","0.0014","90","","93.146","0.002","90","","2036.6","0.5","324","2","324","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","","Wang, Miao; Tang, Bo-Cheng; Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","C(sp<sup>3</sup>)-H Bond Functionalization of Benzo[ c]oxepines via C-O bond Cleavage: Formal [3+3] Synthesis of Multisubstituted Chromans.","The Journal of organic chemistry","2018","83","6","3409","3416","10.1021/acs.joc.8b00126","","","0.71073","MoKα","","0.0464","0.0425","","","0.1202","0.1238","","","","","","1.048","","","","has coordinates","227579","2020-10-21","18:00:00",""
"4033529","6.0477","0.0003","7.596","0.0004","20.0487","0.0011","90","","90","","90","","921","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,4R,9aS)-hexahydro-2H-3,4-methanofuro[2,3-c]oxocine-2,1(3H)-dione","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71073","MoKα","","0.0395","0.0382","","","0.0998","0.1011","","","","","","1.073","","","","has coordinates","227581","2020-10-21","18:00:00",""
"4033530","27.1507","0.0002","19.4075","0.00015","29.45","0.0002","90","","106.74","0.0008","90","","14860.3","0.2","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C171 H156 N6 O6 P6 Pd3 -","- C171 H156 N6 O6 P6 Pd3 -","- C342 H312 N12 O12 P12 Pd6 -","2","0.5","","Abe, Hajime; Hashikawa, Daisuke; Minami, Takaya; Ohtani, Kohei; Masuda, Kentaro; Matsumoto, Shinya; Inouye, Masahiko","Hexaphenolic Rigid Cages Prepared by Self-Organization of C<sub>3 v</sub> Tridentates.","The Journal of organic chemistry","2018","83","6","3132","3141","10.1021/acs.joc.7b03111","","","1.54187","CuKα","","0.0807","0.0729","","","0.192","0.1978","","","","","","1.026","","","","has coordinates","227570","2020-10-21","18:00:00",""
"4033531","13.468","0.005","6.456","0.002","16.345","0.006","90","","109.155","0.006","90","","1342.5","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 -","- C15 H16 N4 -","- C60 H64 N16 -","4","1","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.0835","0.0653","","","0.1702","0.18","","","","","","1.146","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033532","9.62","0.03","5.811","0.016","28.8","0.07","90","","98.02","0.04","90","","1594","8","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N4 -","- C17 H17 Br N4 -","- C68 H68 Br4 N16 -","4","2","","Gupta, Sonu; Chandna, Nisha; Singh, Ajai K.; Jain, Nidhi","Regioselective Synthesis of N<sup>2</sup>-Alkylated-1,2,3 Triazoles and N<sup>1</sup>-Alkylated Benzotriazoles: Cu<sub>2</sub>S as a Recyclable Nanocatalyst for Oxidative Amination of N, N-Dimethylbenzylamines.","The Journal of organic chemistry","2018","83","6","3226","3235","10.1021/acs.joc.8b00107","","","0.71073","MoKα","","0.1851","0.0916","","","0.197","0.2383","","","","","","1.038","","","","has coordinates","227572","2020-10-21","18:00:00",""
"4033533","11.659","0.003","16.597","0.004","12.868","0.003","90","","115.964","0.003","90","","2238.7","0.9","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N Se -","- C27 H27 N Se -","- C108 H108 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","0.71075","MoKα","","0.0561","0.0423","","","0.1052","0.1145","","","","","","1.05","","","","has coordinates","227575","2020-10-21","18:00:00",""
"4033534","12.3134","0.0004","17.4067","0.0005","21.6601","0.0007","90","","105.877","0.003","90","","4465.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N14 O4 -","- C36 H50 N14 O4 -","- C144 H200 N56 O16 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.098","0.0674","","","0.173","0.1914","","","","","","1.063","","","","has coordinates,has disorder","227577","2020-10-21","18:00:00",""
"4033535","18.14","0.007","11.74","0.004","18.675","0.007","90","","118.992","0.006","90","","3479","2","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 N11 O8 -","- C28 H27 Cl2 N11 O8 -","- C112 H108 Cl8 N44 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.113","0.0959","","","0.1928","0.2018","","","","","","1.225","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033536","13.9437","0.0007","15.3663","0.0009","18.6515","0.0013","90","","90.378","0.004","90","","3996.2","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl2 N10 O8 -","- C31 H32 Cl2 N10 O8 -","- C124 H128 Cl8 N40 O32 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0993","0.0896","","","0.2221","0.2285","","","","","","1.215","","","","has coordinates","227577","2020-10-21","18:00:00",""
"4033537","17.878","0.004","11.555","0.002","18.777","0.004","90","","118.16","0.03","90","","3419.8","1.5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl2 N11 O6 -","- C29 H27 Cl2 N11 O6 -","- C116 H108 Cl8 N44 O24 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.084","0.0786","","","0.2105","0.2159","","","","","","1.105","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4033538","9.235","0.0019","9.804","0.002","9.895","0.002","100.762","0.002","91.839","0.002","103.357","0.002","853.7","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O4 S -","- C20 H14 N2 O4 S -","- C40 H28 N4 O8 S2 -","2","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0388","0.0338","","","0.0908","0.0969","","","","","","1.056","","","","has coordinates","227590","2020-10-21","18:00:00",""
"4033539","29.379","0.017","33.67","0.02","11.409","0.011","90","","90","","90","","11286","14","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36.12 H35.25 Cl0.25 N -","- C36.125 H35.25 Cl0.25 N -","- C578 H564 Cl4 N16 -","16","2","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1152","0.0565","","","0.1112","0.1326","","","","","","1.009","","","","has coordinates,has disorder","227594","2020-10-21","18:00:00",""
"4033540","6.3525","0.0003","14.6783","0.001","20.3136","0.0014","90","","90","","90","","1894.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0584","0.0492","","","0.1294","0.1424","","","","","","0.913","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033541","11.8743","0.0002","11.8743","0.0002","11.5602","0.0002","90","","90","","120","","1411.6","0.04","100","1","100","1","","","","","","","","3","P 32","P 32","145","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C63 H96 O9 -","3","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0408","0.0406","","","0.1142","0.1144","","","","","","1.149","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033542","9.9548","0.0005","11.4972","0.0006","20.4597","0.0009","82.019","0.004","77.797","0.004","70.07","0.005","2146","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","2","","Wang, Qiqi; Zhang, Lianpeng; Yao, Jinzhong; Qiu, Guanyinsheng; Li, Xiaofang; Zhou, Hongwei","Silver-Catalyzed Stereoselective Cyclization to Polysubstituted ( Z)-1,2-Dihydrobenzo[ cd]indoles.","The Journal of organic chemistry","2018","83","7","4092","4098","10.1021/acs.joc.7b03257","","x-ray","1.54184","CuKα","","0.0538","0.0437","","","0.1194","0.1323","","","","","","1.022","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033543","7.6561","0.0004","20.7843","0.001","22.6355","0.0012","90","","90","","90","","3601.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","","0.71073","MoKα","","0.0786","0.0542","","","0.1205","0.1332","","","","","","1.042","","","","has coordinates","227589","2020-10-21","18:00:00",""
"4033544","8.3909","0.0002","8.3286","0.0002","12.4602","0.0003","90","","93.482","0.002","90","","869.17","0.04","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Derosa, Joseph; O'Duill, Miriam L; Holcomb, Matthew; Boulous, Mark N.; Patman, Ryan L.; Wang, Fen; Tran-Dubé, Michelle; McAlpine, Indrawan; Engle, Keary M.","Copper-Catalyzed Chan-Lam Cyclopropylation of Phenols and Azaheterocycles.","The Journal of organic chemistry","2018","83","7","3417","3425","10.1021/acs.joc.7b03100","","x-ray","0.71073","MoKα","","0.0387","0.0347","","","0.0932","0.097","","","","","","1.062","","","","has coordinates","227593","2020-10-21","18:00:00",""
"4033545","10.338","0.004","11.016","0.006","22.351","0.009","88.2","0.04","77.272","0.017","86.4","0.03","2477.6","1.9","123","2","123","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H52 -","- C70 H52 -","- C140 H104 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","1.54187","CuKα","","0.164","0.097","","","0.2484","0.3214","","","","","","1.014","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033546","8.427","0.002","11.446","0.003","19.827","0.005","105.602","0.004","98.716","0.004","94.253","0.004","1807.4","0.8","173","2","173.15","","","","","","","","","2","P -1","-P 1","2","","biphenyl","","- C47 H36 -","- C47 H36 -","- C94 H72 -","2","1","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71073","MoKα","","0.1762","0.0785","","","0.2076","0.2517","","","","","","0.862","","","","has coordinates,has disorder","227595","2020-10-21","18:00:00",""
"4033547","13.3967","0.0005","8.2622","0.0003","19.1027","0.0006","90","","110.429","0.0014","90","","1981.42","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.0498","0.0395","","","0.0927","0.1005","","","","","","1.027","","","","has coordinates","227600","2020-10-21","18:00:00",""
"4033548","14.5065","0.0006","15.758","0.0007","19.4","0.0007","91.379","0.003","98.913","0.003","90.225","0.003","4379.8","0.3","180","2","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H62 O9 Si2 -","- C42 H62 O9 Si2 -","- C168 H248 O36 Si8 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.111","0.0892","","","0.2589","0.2753","","","","","","1.041","","","","has coordinates,has disorder","227586","2020-10-21","18:00:00",""
"4033549","10.0742","0.0007","10.3625","0.0008","14.4143","0.0011","79.532","0.004","78.546","0.004","89.614","0.005","1449.58","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","2","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","0.71073","MoKα","","0.1","0.0727","","","0.1869","0.2257","","","","","","1.034","","","","has coordinates","227602","2020-10-21","18:00:00",""
"4033550","6.9222","0.0002","11.147","0.0004","10.4409","0.0004","90","","94.07","0.002","90","","803.61","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0538","0.0445","","","0.1109","0.1198","","","","","","1.067","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033551","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033552","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033553","5.6498","0.0004","15.0191","0.0009","25.5231","0.0017","90","","90","","90","","2165.8","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O5 S -","- C27 H21 N O5 S -","- C108 H84 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.128","0.0742","","","0.1213","0.1386","","","","","","1","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033554","5.65","0.0007","13.3279","0.0015","28.334","0.003","90","","90","","90","","2133.6","0.4","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O5 S -","- C23 H18 Br N O5 S -","- C92 H72 Br4 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0602","0.0403","","","0.0869","0.0949","","","","","","1.024","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033555","7.062","0.002","11.037","0.003","18.156","0.005","98.757","0.004","100.531","0.005","99.852","0.005","1346","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br N7 O9 -","- C26 H22 Br N7 O9 -","- C52 H44 Br2 N14 O18 -","2","1","","Luan, Lin-Bo; Song, Zi-Jie; Li, Zhi-Ming; Wang, Quan-Rui; Wang, Jing-Mei","Synthesis of Triazolodiazepinium Salts: Sequential [3<sup>+</sup>+2] Cycloaddition/Rearrangement Reaction of 1-Aza-2-azoniaallenium Cation Intermediates Generated from Piperidin-4-ones.","The Journal of organic chemistry","2018","83","7","3441","3452","10.1021/acs.joc.7b02742","","","0.71073","MoKα","","0.1183","0.0828","","","0.2486","0.3063","","","","","","1.215","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033556","7.486","0.0002","5.6312","0.0002","15.5148","0.0004","90","","101.298","0.002","90","","641.35","0.03","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O -","- C16 H17 N O -","- C32 H34 N2 O2 -","2","1","","Jin, Yushu; Makida, Yusuke; Uchida, Tatsuya; Kuwano, Ryoichi","Ruthenium-Catalyzed Chemo- and Enantioselective Hydrogenation of Isoquinoline Carbocycles.","The Journal of organic chemistry","2018","83","7","3829","3839","10.1021/acs.joc.8b00190","","","1.54187","CuKα","","0.0422","0.0337","","","0.0779","0.0919","","","","","","1.093","","","","has coordinates","227591","2020-10-21","18:00:00",""
"4033557","8.3043","0.0007","22.819","0.0016","15.8252","0.0012","90","","102.756","0.004","90","","2924.8","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O4 S Si -","- C29 H37 N O4 S Si -","- C116 H148 N4 O16 S4 Si4 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0647","0.0609","","","0.1644","0.1698","","","","","","1.041","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033558","12.2955","0.0005","14.6854","0.0006","12.69","0.0006","90","","91.462","0.002","90","","2290.62","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N3 O7 -","- C25 H23 N3 O7 -","- C100 H92 N12 O28 -","4","2","","Schmidt, Michael A.; Simmons, Eric M.; Wei, Carolyn S.; Park, Hyunsoo; Eastgate, Martin D.","An Enantioselective Total Synthesis of (+)-Duocarmycin SA.","The Journal of organic chemistry","2018","83","7","3928","3940","10.1021/acs.joc.8b00285","","x-ray","1.54178","CuKα","","0.0732","0.0546","","","0.1344","0.1496","","","","","","1.034","","","","has coordinates","227603","2020-10-21","18:00:00",""
"4033559","16.3548","0.0013","17.6188","0.0008","19.186","0.002","90","","114.775","0.011","90","","5019.6","0.8","292.84","0.1","292.84","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C64 H68 N2 -","- C64 H68 N2 -","- C256 H272 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.2261","0.085","","","0.1599","0.2327","","","","","","0.949","","","","has coordinates","227588","2020-10-21","18:00:00",""
"4033560","14.3802","0.0002","8.044","0.0006","15.8104","0.0008","90","","106.955","0.003","90","","1749.36","0.16","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cd I2 N5 O2 -","- C12 H13 Cd I2 N5 O2 -","- C48 H52 Cd4 I8 N20 O8 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0516","0.0342","","","0.0941","0.126","","","","","","1.269","","","","has coordinates","207833","2020-10-21","18:00:00",""
"4033561","7.9041","0.0003","11.0838","0.0004","16.6771","0.0011","90","","90.836","0.005","90","","1460.88","0.12","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N5 O4 Zn -","- C14 H15 N5 O4 Zn -","- C56 H60 N20 O16 Zn4 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.062","0.0391","","","0.0881","0.0996","","","","","","1.087","","","","has coordinates","207834","2020-10-21","18:00:00",""
"4033562","9.7652","0.001","12.6071","0.0015","12.6665","0.0016","116.489","0.008","110.082","0.012","94.251","0.01","1262","0.3","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H24 N10 Ni O5 -","- C24 H24 N10 Ni O5 -","- C48 H48 N20 Ni2 O10 -","2","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0958","0.0597","","","0.1485","0.1756","","","","","","1.052","","","","has coordinates","207836","2020-10-21","18:00:00",""
"4033563","10.0738","0.0007","11.6415","0.0008","13.3445","0.0009","112.736","0.005","92.577","0.007","105.248","0.005","1373.52","0.18","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H24 N10 O6 Zn -","- C25 H24 N10 O6 Zn -","- C50 H48 N20 O12 Zn2 -","2","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.068","0.0524","","","0.1403","0.155","","","","","","0.958","","","","has coordinates","207837","2020-10-21","18:00:00",""
"4033564","42.012","0.01","42.012","0.01","6.6491","0.0008","90","","90","","120","","10163","4","120","2","120","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C12 H12 Cd N6 O8 -","- C12 H12 Cd N6 O8 -","- C216 H216 Cd18 N108 O144 -","18","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0757","0.061","","","0.1669","0.176","","","","","","1.2","","","","has coordinates","207839","2020-10-21","18:00:00",""
"4033565","26.875","0.005","13.162","0.002","18.202","0.004","90","","109.484","0.013","90","","6070","2","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl2 N10 O12.5 Zn -","- C24 H26 Cl2 N10 O12.5 Zn -","- C192 H208 Cl16 N80 O100 Zn8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0909","0.0612","","","0.1545","0.1826","","","","","","0.977","","","","has coordinates","207865","2020-10-21","18:00:00",""
"4033566","10.6327","0.0007","15.2805","0.0016","18.3404","0.0014","90","","90","","90","","2979.8","0.4","120","2","120","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C13 H12 Cd N6 O2 S -","- C13 H12 Cd N6 O2 S -","- C104 H96 Cd8 N48 O16 S8 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0955","0.0559","","","0.149","0.1818","","","","","","1.099","","","","has coordinates","207866","2020-10-21","18:00:00",""
"4033567","26.417","0.006","13.167","0.004","17.65","0.005","90","","107.177","0.015","90","","5865","3","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N12 Ni O11 -","- C24 H26 N12 Ni O11 -","- C192 H208 N96 Ni8 O88 -","8","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.106","0.0634","","","0.1478","0.1734","","","","","","1.034","","","","has coordinates","207867","2020-10-21","18:00:00",""
"4033568","8.712","0.005","18.903","0.003","11.818","0.004","90","","100.89","0.03","90","","1911.2","1.3","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N7 Ni O4.5 S2 -","- C14 H17 N7 Ni O4.5 S2 -","- C56 H68 N28 Ni4 O18 S8 -","4","1","","Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N","Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.","Journal of inorganic biochemistry","2018","185","","52","62","10.1016/j.jinorgbio.2018.04.022","","x-ray","0.71073","MoKα","","0.0864","0.0506","","","0.1148","0.1382","","","","","","1.164","","","","has coordinates","207868","2020-10-21","18:00:00",""
"4034714","5.8139","0.0001","13.3695","0.0002","12.326","0.0001","90","","91.911","0.001","90","","957.55","0.02","297.01","0.1","297.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H19 N2 O5 -","- C21 H19 N2 O5 -","- C42 H38 N4 O10 -","2","1","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.0423","0.0391","","","0.1028","0.1049","","","","","","1.052","","","","has coordinates","226243","2020-10-21","18:00:00",""
"4034715","23.3389","0.0003","15.1799","0.0002","42.3532","0.0006","90","","102.714","0.002","90","","14637.1","0.4","298.3","1","298.3","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C22 H31 N5 O3 Si -","- C21.5 H28.5 N5 O3 Si -","- C344 H456 N80 O48 Si16 -","16","4","","Qin, Tao; Li, Jian-Ping; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of Chiral Acyclic Nucleosides by Sharpless Asymmetric Dihydroxylation: Access to Cidofovir and Buciclovir.","The Journal of organic chemistry","2018","83","24","15512","15523","10.1021/acs.joc.8b02442","","x-ray","1.54184","CuKα","","0.1005","0.0872","","","0.275","0.3009","","","","","","1.004","","","","has coordinates","226244","2020-10-21","18:00:00",""
"4034716","6.9849","0.0002","13.9288","0.0004","18.099","0.0006","90","","90","","90","","1760.87","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C72 H64 Br8 N8 O8 -","4","1","","Guo, Lin-E; Hong, Yuan; Zhang, Shu-Ying; Zhang, Miao; Yan, Xiao-Sheng; Cao, Jin-Lian; Li, Zhao; James, Tony D.; Jiang, Yun-Bao","Proline-Based Boronic Acid Receptors for Chiral Recognition of Glucose.","The Journal of organic chemistry","2018","83","24","15128","15135","10.1021/acs.joc.8b02425","","","1.54178","CuKα","","0.0462","0.0435","","","0.1133","0.1167","","","","","","1.058","","","","has coordinates","226245","2020-10-21","18:00:00",""
"4034717","9.625","0.002","11.22","0.003","12.37","0.003","105.068","0.01","103.743","0.009","112.523","0.009","1103.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C60 H44 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0507","0.0413","","","0.1014","0.1067","","","","","","1.045","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034718","10.0035","0.0006","13.0323","0.0009","13.1608","0.0008","108.315","0.002","107.297","0.002","100.516","0.002","1481.36","0.17","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H29 Cl2 N2 -","- C35 H29 Cl2 N2 -","- C70 H58 Cl4 N4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0985","0.0853","","","0.227","0.2383","","","","","","1.055","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034719","21.1443","0.0009","14.1022","0.0006","15.9946","0.0007","90","","110.27","0.001","90","","4473.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","2","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0711","0.0553","","","0.1712","0.1982","","","","","","0.716","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034720","15.9963","0.0008","15.7038","0.001","13.4664","0.0006","90","","97.196","0.005","90","","3356.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 O2 S -","- C40 H36 N2 O2 S -","- C160 H144 N8 O8 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.0969","0.0567","","","0.1308","0.1606","","","","","","0.997","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034721","8.7173","0.0004","11.0589","0.0005","13.363","0.0006","84.109","0.001","86.375","0.002","78.641","0.001","1255.12","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N2 O2 S2 -","- C30 H24 N2 O2 S2 -","- C60 H48 N4 O4 S4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.0759","0.063","","","0.1792","0.1898","","","","","","1.033","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034722","10.7608","0.0015","11.6326","0.0016","11.9031","0.0016","83.679","0.011","67.103","0.013","65.229","0.014","1243.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O2 -","- C32 H26 N2 O2 -","- C64 H52 N4 O4 -","2","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","1.54184","CuKα","","0.1308","0.0673","","","0.1322","0.1796","","","","","","1.032","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034723","14.5928","0.0011","8.432","0.0005","25.9668","0.0019","90","","102.539","0.002","90","","3118.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N O4 S -","- C36 H31 N O4 S -","- C144 H124 N4 O16 S4 -","4","1","","Selvaraj, Karuppu; Swamy, K. C. Kumara","Transition-Metal-Free, Brønsted Acid-Mediated Cascade Sequence in the Reaction of Propargyl Alcohols with Sulfonamido-indoles/-indolines: Highly Substituted δ- and α-Carbolines.","The Journal of organic chemistry","2018","83","24","15043","15056","10.1021/acs.joc.8b02293","","","0.71073","MoKα","","0.1746","0.0712","","","0.1193","0.1456","","","","","","1.018","","","","has coordinates","226246","2020-10-21","18:00:00",""
"4034724","6.4112","0.0012","8.4234","0.0015","27.491","0.005","90","","90","","90","","1484.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Rajesh, Manda; Singam, Maneesh Kumar Reddy; Puri, Surendra; Balasubramanian, Sridhar; Sridhar Reddy, Maddi","Nickel Catalyzed syn-Selective Aryl Nickelation and Cyclization of Aldehyde/Enone-Tethered Terminal Alkynes with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15361","15371","10.1021/acs.joc.8b02618","","","0.71073","MoKα","","0.0423","0.0378","","","0.1004","0.1038","","","","","","1.021","","","","has coordinates","226247","2020-10-21","18:00:00",""
"4034725","7.1796","0.0006","7.6864","0.0006","14.4003","0.001","101.655","0.006","95.515","0.006","113.279","0.008","701.13","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H8 Br2 N2 -","- C15 H8 Br2 N2 -","- C30 H16 Br4 N4 -","2","1","","Wang, Manman; Hou, Jiao; Yu, Wenquan; Chang, Junbiao","Synthesis of 2 H-Azirines via Iodine-Mediated Oxidative Cyclization of Enamines.","The Journal of organic chemistry","2018","83","24","14954","14961","10.1021/acs.joc.8b02022","","x-ray","0.71073","MoKα","","0.0823","0.0457","","","0.0811","0.0954","","","","","","1.013","","","","has coordinates","226248","2020-10-21","18:00:00",""
"4034726","9.663","0.003","14.733","0.004","17.972","0.005","90","","90","","90","","2558.6","1.3","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C12 H9 N O2 S2 -","- C12 H9 N O2 S2 -","- C96 H72 N8 O16 S16 -","8","1","","Hu, Biao; Zhou, Pan; Zhang, Qiaohe; Wang, Yanqin; Zhao, Siyun; Lu, Lingling; Yan, Shengjiao; Yu, Fuchao","Metal-Free Oxidative Thioesterification of Methyl Ketones with Thiols/Disulfides for the Synthesis of α-Ketothioesters.","The Journal of organic chemistry","2018","83","24","14978","14986","10.1021/acs.joc.8b02235","","","0.71073","MoKα","","0.0506","0.0389","","","0.098","0.1077","","","","","","1.043","","","","has coordinates,has disorder","226249","2020-10-21","18:00:00",""
"4034727","18.3985","0.0009","5.7117","0.0002","13.6214","0.0006","90","","106.615","0.001","90","","1371.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C64 H52 N12 O8 -","4","1","","Fernandes, Fábio S; Rodrigues, Jr, Manoel T; Zeoly, Lucas A.; Conti, Caroline; Angolini, Célio F F; Eberlin, Marcos Nogueira; Coelho, Fernando","Vinyl-1,2,4-oxadiazoles Behave as Nucleophilic Partners in Morita-Baylis-Hillman Reactions.","The Journal of organic chemistry","2018","83","24","15118","15127","10.1021/acs.joc.8b02402","","","0.71073","MoKα","","0.0556","0.0412","","","0.0993","0.1107","","","","","","1.0608","","","","has coordinates","226250","2020-10-21","18:00:00",""
"4034728","11.472","0.0005","17.9909","0.0009","24.4226","0.0012","90","","90","","90","","5040.6","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H32 O6 -","- C29 H32 O6 -","- C232 H256 O48 -","8","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.1097","0.0637","","","0.1802","0.2284","","","","","","0.966","","","","has coordinates","226251","2020-10-21","18:00:00",""
"4034729","12.2759","0.0007","11.3397","0.0006","17.9816","0.001","90","","103.251","0.003","90","","2436.5","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 O6 -","- C28 H30 O6 -","- C112 H120 O24 -","4","1","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0703","0.0521","","","0.1435","0.159","","","","","","1.084","","","","has coordinates","226252","2020-10-21","18:00:00",""
"4034730","7.3532","0.0013","12.219","0.002","15.266","0.003","97.16","0.012","90.233","0.011","90.152","0.012","1360.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","2","","Devi, Ngangbam Renubala; Sultana, Sabera; Borah, Madhurjya; Saikia, Anil K.","Regio- and Diastereoselective Synthesis of Dihydropyrans and Pyranopyrans via Oxonium-Ene Reaction of β-Allenols and Aldehydes.","The Journal of organic chemistry","2018","83","24","14987","14998","10.1021/acs.joc.8b02244","","","0.71073","MoKα","","0.0919","0.052","","","0.1419","0.1732","","","","","","0.954","","","","has coordinates","226253","2020-10-21","18:00:00",""
"4034731","22.2566","0.0014","5.727","0.0003","19.7415","0.0014","90","","107.042","0.007","90","","2405.8","0.3","145","2","145","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0493","0.0433","","","0.1091","0.1138","","","","","","1.053","","","","has coordinates","226254","2020-10-21","18:00:00",""
"4034732","9.5738","0.0002","7.0069","0.0002","18.4103","0.0004","90","","102.979","0.001","90","","1203.46","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","0.5","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0429","0.0358","","","0.086","0.091","","","","","","1.043","","","","has coordinates","226255","2020-10-21","18:00:00",""
"4034733","7.1205","0.0012","12.529","0.002","15.466","0.003","78.066","0.011","78.089","0.011","78.347","0.01","1302.5","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.1145","0.0546","","","0.1293","0.1592","","","","","","1.011","","","","has coordinates","226256","2020-10-21","18:00:00",""
"4034734","12.2607","0.0003","12.6818","0.0002","22.525","0.0007","90","","95.797","0.002","90","","3484.45","0.15","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H37 N3 O7 S -","- C39 H37 N3 O7 S -","- C156 H148 N12 O28 S4 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0527","0.0405","","","0.1003","0.1096","","","","","","1.024","","","","has coordinates","226257","2020-10-21","18:00:00",""
"4034735","15.8188","0.0003","10.00924","0.00019","18.044","0.0004","90","","101.411","0.0019","90","","2800.51","0.1","149","1","149","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 N2 O4 -","- C35 H36 N2 O4 -","- C140 H144 N8 O16 -","4","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","1.54184","CuKα","","0.0583","0.0516","","","0.1423","0.1478","","","","","","1.042","","","","has coordinates","226258","2020-10-21","18:00:00",""
"4034736","8.2269","0.0003","10.6619","0.0003","14.678","0.0004","86.377","0.002","75.857","0.002","85.172","0.002","1242.81","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O6 -","- C32 H26 O6 -","- C64 H52 O12 -","2","1","","Chong, Kam-Weng; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Reactivity of Anodically Generated 4-Methoxystilbene Cation Radicals: The Influence of Ortho-Substituted Hydroxymethyl, Aminomethyl, and Carboxylic Acid Groups.","The Journal of organic chemistry","2018","83","24","15087","15100","10.1021/acs.joc.8b02360","","","0.71073","MoKα","","0.0522","0.0391","","","0.0914","0.0997","","","","","","1.014","","","","has coordinates","226259","2020-10-21","18:00:00",""
"4034737","25.0644","0.0008","18.8372","0.0007","13.6807","0.0005","90","","100.82","0.004","90","","6344.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C264 H192 Cl16 N16 O40 -","8","1","","Marra, Isabellar F. S.; de Almeida, Angelina M.; Silva, Larissa P.; de Castro, Pedro P.; Corrêa, Charlane C; Amarante, Giovanni Wilson","Stereoselective Intermolecular [2 + 2] Cycloadditions of Erlenmeyer-Plöchl Azlactones Using Visible Light Photoredox Catalysis.","The Journal of organic chemistry","2018","83","24","15144","15154","10.1021/acs.joc.8b02430","","x-ray","1.54184","CuKα","","0.0889","0.0675","","","0.1845","0.2117","","","","","","1.066","","","","has coordinates","226260","2020-10-21","18:00:00",""
"4034738","8.41559","0.00015","20.3317","0.0004","21.2577","0.0004","90","","90","","90","","3637.26","0.12","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H15 Cl3 F6 O10 S4 -","- C32 H15 Cl3 F6 O10 S4 -","- C128 H60 Cl12 F24 O40 S16 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","[1]Benzothiophene-Fused Chiral Spiro Polycyclic Aromatic Compounds: Optical Resolution, Functionalization, and Optical Properties.","The Journal of organic chemistry","2018","83","24","15057","15065","10.1021/acs.joc.8b02301","","","1.54187","CuKα","","0.0423","0.0409","","","0.109","0.1105","","","","","","1.047","","","","has coordinates","226261","2020-10-21","18:00:00",""
"4034739","12.3898","0.0003","8.3356","0.0002","29.3057","0.0006","90","","114.3","0.001","90","","2758.44","0.11","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H164 Cu4 I4 N12 Ni4 O P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","- C84 H164 Cu4 I4 N12 Ni4 P8 -","1","0.25","","Li, Huaifeng; Gonçalves, Théo P; Hu, Jinsong; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","A Pseudodearomatized PN<sup>3</sup>P*Ni-H Complex as a Ligand and σ-Nucleophilic Catalyst.","The Journal of organic chemistry","2018","83","24","14969","14977","10.1021/acs.joc.8b02205","","","1.54178","CuKα","","0.0639","0.0595","","","0.1523","0.1553","","","","","","1.081","","","","has coordinates","226262","2020-10-21","18:00:00",""
"4034740","5.6204","0.0004","21.5493","0.0012","10.8922","0.0006","90","","98.449","0.002","90","","1304.9","0.14","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H28 O6 S2 -","- C29 H28 O6 S2 -","- C58 H56 O12 S4 -","2","1","","Song, Wei-Syun; Liu, Si-Xian; Chang, Che-Chien","Synthesis of l-Deoxyribonucleosides from d-Ribose.","The Journal of organic chemistry","2018","83","24","14923","14932","10.1021/acs.joc.8b02002","","","0.71073","MoKα","","0.0282","0.0269","","","0.0644","0.0653","","","","","","1.038","","","","has coordinates","226263","2020-10-21","18:00:00",""
"4034741","6.5102","0.0006","10.6554","0.001","14.2094","0.0013","90","","90","","90","","985.69","0.16","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Li, Chaoran; Yuan, Jingwen; Zhang, Qian; Bhujanga Rao, Chitturi; Zhang, Rui; Zhao, Yanning; Deng, Bicheng; Dong, Dewen","Oxidative Cyclization of β-Aminoacrylamides Mediated by PhIO: Chemoselective Synthesis of Isoxazoles and 2 H-Azirines.","The Journal of organic chemistry","2018","83","24","14999","15008","10.1021/acs.joc.8b02132","","","0.71073","MoKα","","0.0554","0.0447","","","0.1029","0.1099","","","","","","1.029","","","","has coordinates","226264","2020-10-21","18:00:00",""
"4034742","19.403","0.003","5.6089","0.0008","37.416","0.006","90","","104.542","0.002","90","","3941.5","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 O4 -","- C26 H22 O4 -","- C208 H176 O32 -","8","1","","Rouh, Hossein; Liu, Yangxue; Katakam, Nandakumar; Pham, Lilian; Zhu, Yi-Long; Li, Guigen","Synthesis of Functionalized Chromene and Chroman Derivatives via Cesium Carbonate Promoted Formal [4 + 2] Annulation of 2'-Hydroxychalcones with Allenoates.","The Journal of organic chemistry","2018","83","24","15372","15379","10.1021/acs.joc.8b02627","","","0.71073","MoKα","","0.0573","0.0401","","","0.0853","0.0927","","","","","","1.053","","","","has coordinates","226265","2020-10-21","18:00:00",""
"4034743","11.8445","0.001","17.0045","0.0014","19.8152","0.0016","90","","90","","90","","3991","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N2 O3 S -","- C23 H20 N2 O3 S -","- C184 H160 N16 O24 S8 -","8","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0508","0.0379","","","0.0982","0.1115","","","","","","1.054","","","","has coordinates","226266","2020-10-21","18:00:00",""
"4034744","9.987","0.002","11.818","0.002","21.197","0.004","90","","96.944","0.007","90","","2483.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C116 H96 N8 O16 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0484","0.0388","","","0.0996","0.1081","","","","","","1.038","","","","has coordinates","226267","2020-10-21","18:00:00",""
"4034745","9.1431","0.0004","10.9188","0.0003","24.715","0.0009","90","","90","","90","","2467.34","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C116 H92 Cl4 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0709","0.0495","","","0.1075","0.12","","","","","","1.074","","","","has coordinates","226268","2020-10-21","18:00:00",""
"4034746","10.8105","0.0003","11.2376","0.0002","11.9765","0.0003","100.257","0.001","114.315","0.001","104.674","0.001","1215.07","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C58 H46 Cl2 N4 O6 S2 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0374","0.0337","","","0.0885","0.0922","","","","","","1.045","","","","has coordinates","226269","2020-10-21","18:00:00",""
"4034747","10.343","0.0012","14.8904","0.0013","17.0572","0.0019","90","","92.282","0.003","90","","2624.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 N O6 -","- C32 H27 N O6 -","- C128 H108 N4 O24 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.1171","0.0794","","","0.1976","0.2354","","","","","","1.051","","","","has coordinates","226270","2020-10-21","18:00:00",""
"4034748","10.6183","0.0003","11.3107","0.0003","11.6094","0.0003","104.956","0.001","111.862","0.001","104.146","0.001","1156.54","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O3 S2 -","- C27 H22 N2 O3 S2 -","- C54 H44 N4 O6 S4 -","2","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0425","0.0383","","","0.1043","0.1082","","","","","","1.012","","","","has coordinates","226271","2020-10-21","18:00:00",""
"4034749","7.5699","0.0015","8.2998","0.0015","11.079","0.002","71.037","0.006","72.442","0.006","68.706","0.006","599.9","0.2","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","1","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0894","0.0717","","","0.1739","0.19","","","","","","1.044","","","","has coordinates","226272","2020-10-21","18:00:00",""
"4034750","8.2947","0.0002","22.2998","0.0006","13.9173","0.0004","90","","100.276","0.001","90","","2532.99","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O3 S -","- C30 H26 N2 O3 S -","- C120 H104 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0536","0.0412","","","0.0918","0.0999","","","","","","1.07","","","","has coordinates","226273","2020-10-21","18:00:00",""
"4034751","10.6301","0.0004","12.319","0.0003","13.3645","0.0005","95.356","0.002","92.661","0.003","96.203","0.002","1729.44","0.1","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","2","","Agirre, Maddalen; Henrion, Sylvain; Rivilla, Ivan; Miranda, José I; Cossío, Fernando P; Carboni, Bertrand; Villalgordo, José M; Carreaux, François","1,3-Dioxa-[3,3]-sigmatropic Oxo-Rearrangement of Substituted Allylic Carbamates: Scope and Mechanistic Studies.","The Journal of organic chemistry","2018","83","24","14861","14881","10.1021/acs.joc.8b01320","","x-ray","1.54184","CuKα","","0.0651","0.0525","","","0.1359","0.1467","","","","","","1.047","","","","has coordinates,has disorder","226274","2020-10-21","18:00:00",""
"4034752","11.6203","0.0006","13.0651","0.0007","13.7482","0.0007","116.11","0.002","101.916","0.002","90.03","0.002","1823.92","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 F3 N S -","- C23 H16 F3 N S -","- C92 H64 F12 N4 S4 -","4","2","","Shi, Wen-Qiang; Liu, Shuai; Wang, Chen-Ze; Huang, Yangen; Qing, Feng-Ling; Xu, Xiu-Hua","Synthesis of CMe<sub>2</sub>CF<sub>3</sub>-Containing Heteroarenes via Tandem 1,1-Dimethyltrifluoroethylation and Cyclization of Isonitriles.","The Journal of organic chemistry","2018","83","24","15236","15244","10.1021/acs.joc.8b02506","","","0.71073","MoKα","","0.0572","0.0472","","","0.1244","0.134","","","","","","1.039","","","","has coordinates","226275","2020-10-21","18:00:00",""
"4034753","40.1484","0.0011","10.5557","0.0003","11.3092","0.0003","90","","97.518","0.003","90","","4751.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B N3 O7 S -","- C21 H26 B N3 O7 S -","- C168 H208 B8 N24 O56 S8 -","8","2","","Havel, Stepan; Khirsariya, Prashant; Akavaram, Naresh; Paruch, Kamil; Carbain, Benoit","Preparation of 3,4-Substituted-5-Aminopyrazoles and 4-Substituted-2-Aminothiazoles.","The Journal of organic chemistry","2018","83","24","15380","15405","10.1021/acs.joc.8b02655","","","0.71073","MoKα","","0.0973","0.0821","","","0.1893","0.1961","","","","","","1.216","","","","has coordinates","226276","2020-10-21","18:00:00",""
"4034754","18.2472","0.0006","8.4518","0.0003","12.4155","0.0004","90","","93.856","0.002","90","","1910.4","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O7 -","- C24 H18 O7 -","- C96 H72 O28 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.101","0.0737","","","0.168","0.1853","","","","","","1.048","","","","has coordinates,has disorder","226277","2020-10-21","18:00:00",""
"4034755","24.0009","0.0011","8.5212","0.0004","31.56","0.002","90","","93.151","0.002","90","","6444.8","0.6","150","","150","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C34 H40 O13 -","- C34 H40 O13 -","- C272 H320 O104 -","8","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1295","0.0811","","","0.2113","0.2532","","","","","","1.031","","","","has coordinates,has disorder","226278","2020-10-21","18:00:00",""
"4034756","15.7405","0.0003","15.7405","0.0003","11.9054","0.0003","90","","90","","120","","2554.53","0.09","150","","150","","","","","","","","","4","P 63","P 6c","173","","","","- C22 H11 N O6 -","- C22 H11 N O6 -","- C132 H66 N6 O36 -","6","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1035","0.0968","","","0.2556","0.2804","","","","","","1.252","","","","has coordinates,has disorder","226279","2020-10-21","18:00:00",""
"4034757","21.3113","0.0008","43.3656","0.0017","8.4955","0.0003","90","","90","","90","","7851.3","0.5","100","","100","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H20 O7 -","- C24 H20 O7 -","- C384 H320 O112 -","16","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0547","0.0535","","","0.1477","0.149","","","","","","1.042","","","","has coordinates,has disorder","226280","2020-10-21","18:00:00",""
"4034758","17.2624","0.0005","8.6308","0.0002","16.1531","0.0005","90","","109.286","0.002","90","","2271.57","0.11","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 O9 -","- C26 H22 O9 -","- C104 H88 O36 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0654","0.0539","","","0.1298","0.1397","","","","","","1.031","","","","has coordinates,has disorder","226281","2020-10-21","18:00:00",""
"4034759","11.6237","0.0009","13.3004","0.001","13.6633","0.001","62.625","0.003","81.097","0.004","82.543","0.004","1849.1","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H50 O15 -","- C38 H50 O15 -","- C76 H100 O30 -","2","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.1066","0.0671","","","0.1431","0.1629","","","","","","1.03","","","","has coordinates,has disorder","226282","2020-10-21","18:00:00",""
"4034760","8.4894","0.0001","11.0722","0.0002","12.8612","0.0002","90","","90","","90","","1208.91","0.03","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim","Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B.","The Journal of organic chemistry","2018","83","24","15136","15143","10.1021/acs.joc.8b02426","","","1.54178","CuKα","","0.0281","0.0276","","","0.0763","0.0766","","","","","","1.054","","","","has coordinates","226283","2020-10-21","18:00:00",""
"4034761","7.9772","0.0005","9.3301","0.0005","11.0632","0.0006","87.994","0.003","71.069","0.003","79.461","0.003","765.47","0.08","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C32 H32 N4 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.1223","0.1081","","","","0.288","","","","","","1.123","","","","has coordinates","226284","2020-10-21","18:00:00",""
"4034762","7.265","0.0011","7.4678","0.0013","20.714","0.003","99.558","0.006","94.814","0.006","98.928","0.006","1087.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","2","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","0.71073","MoKα","","0.1581","0.0882","","","","0.2252","","","","","","1.053","","","","has coordinates","226285","2020-10-21","18:00:00",""
"4034763","7.8531","0.0002","9.8132","0.0002","11.2755","0.0003","89.328","0.001","73.167","0.001","78.439","0.001","813.84","0.03","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C36 H38 N2 O8 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0636","0.0556","","","","0.1668","","","","","","1.048","","","","has coordinates","226286","2020-10-21","18:00:00",""
"4034764","22.487","0.004","5.6204","0.0012","7.7323","0.0019","90","","90","","90","","977.3","0.4","117","2","117","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0675","0.0408","","","","0.1171","","","","","","1.061","","","","has coordinates","226287","2020-10-21","18:00:00",""
"4034765","6.1508","0.0012","8.0778","0.0016","16.666","0.003","89.39","0.03","82.57","0.03","68.88","0.03","765.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C34 H34 N2 O10 -","2","1","","Bunda, Szilvia; Udvardy, Antal; Voronova, Krisztina; Joó, Ferenc","Organic Solvent-Free, Pd(II)-Salan Complex-Catalyzed Synthesis of Biaryls via Suzuki-Miyaura Cross-Coupling in Water and Air.","The Journal of organic chemistry","2018","83","24","15486","15492","10.1021/acs.joc.8b02340","","","1.54178","CuKα","","0.0638","0.0476","","","","0.141","","","","","","1.025","","","","has coordinates","226288","2020-10-21","18:00:00",""
"4034766","12.4667","0.0003","15.7431","0.0003","33.5575","0.0007","90","","90","","90","","6586.1","0.2","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Br N2 O5 S -","- C39 H29 Br N2 O5 S -","- C312 H232 Br8 N16 O40 S8 -","8","2","","Gao, Zhong-Hua; Chen, Kun-Quan; Zhang, Yan; Kong, Ling-Mei; Li, Yan; Ye, Song","Enantioselective N-Heterocyclic Carbene-Catalyzed Synthesis of Spirocyclic Oxindole-benzofuroazepinones.","The Journal of organic chemistry","2018","83","24","15225","15235","10.1021/acs.joc.8b02497","","","0.71073","MoKα","","0.1517","0.0723","","","0.1012","0.1243","","","","","","1.035","","","","has coordinates","226289","2020-10-21","18:00:00",""
"4034767","13.762","0.003","5.5167","0.0011","17.167","0.003","90","","101.75","0.03","90","","1276","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O S2 -","- C15 H12 O S2 -","- C60 H48 O4 S8 -","4","1","","Xia, Fei; Chen, Xiang-Yu; Ye, Song","[3 + 4] Annulation of Bromoenals and 1,2-Benzenedithiol: Base-Promoted [2 + 4] Reaction and N-Heterocyclic Carbene-Catalyzed Ring-Expansion.","The Journal of organic chemistry","2018","83","24","15178","15185","10.1021/acs.joc.8b02460","","","0.71073","MoKα","","0.0514","0.0471","","","0.0934","0.0959","","","","","","1.118","","","","has coordinates","226290","2020-10-21","18:00:00",""
"4034768","5.68","0.003","8.711","0.004","15.304","0.007","74.081","0.015","83.934","0.018","83.108","0.019","720.8","0.6","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","- C25 H28 Br N6 O5 S3 -","1","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1783","0.0676","","","0.1081","0.1399","","","","","","0.889","","","","has coordinates,has disorder","226291","2020-10-21","18:00:00",""
"4034769","15.5695","0.0018","10.944","0.0012","14.1194","0.0018","90","","95.015","0.007","90","","2396.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cl2 N7 O3 S -","- C22 H19 Cl2 N7 O3 S -","- C88 H76 Cl8 N28 O12 S4 -","4","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.1732","0.0693","","","0.1356","0.1707","","","","","","0.928","","","","has coordinates,has disorder","226292","2020-10-21","18:00:00",""
"4034770","6.623","0.003","18.287","0.009","33.616","0.015","90","","90","","90","","4071","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N7 O6 S -","- C18 H21 N7 O6 S -","- C144 H168 N56 O48 S8 -","8","1","","Mamedov, Vakhid A.; Zhukova, Nataliya A.; Gubaidullin, Aidar T.; Syakaev, Victor V.; Kadyrova, Milyausha S.; Beschastnova, Tat'yana N.; Bazanova, Olga B.; Rizvanov, Il Dar Kh; Latypov, Shamil K.","One-Pot Synthesis of 7-(Benzimidazol-2-yl)thioxolumazine and -lumazine Derivatives via H<sub>2</sub>SO<sub>4</sub>-Catalyzed Rearrangement of Quinoxalinones When Exposed to 5,6-Diamino-2-mercapto- and 2,5,6-Triaminopyrimidin-4-ols.","The Journal of organic chemistry","2018","83","24","14942","14953","10.1021/acs.joc.8b02161","","","0.71073","MoKα","","0.398","0.0773","","","0.1124","0.1844","","","","","","0.852","","","","has coordinates","226293","2020-10-21","18:00:00",""
"4034771","8.9212","0.0008","8.8067","0.0006","20.9373","0.0016","90","","92.791","0.008","90","","1643","0.2","294.56","0.12","294.56","0.12","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Song, Xia; Gao, Cai; Zhang, Xinying; Fan, Xuesen","Synthesis of Diversely Functionalized 2 H-Chromenes through Pd-Catalyzed Cascade Reactions of 1,1-Dibromoolefin Derivatives with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15256","15267","10.1021/acs.joc.8b02456","","x-ray","0.71073","MoKα","","0.1033","0.0647","","","0.1318","0.1507","","","","","","1.037","","","","has coordinates","226294","2020-10-21","18:00:00",""
"4034772","6.575","0.0003","9.8384","0.0006","28.6228","0.0015","90","","90","","90","","1851.54","0.17","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chennamadhavuni, Spandan; Panek, James S.; Porco, Jr, John A; Brown, Lauren E.","Diastereodivergent Synthesis of Chiral Tetrahydropyrrolodiazepinediones via a One-Pot Intramolecular aza-Michael/Lactamization Sequence.","The Journal of organic chemistry","2018","83","24","15449","15462","10.1021/acs.joc.8b02724","","","1.54178","CuKα","","0.0284","0.0282","","","0.0693","0.0695","","","","","","1.029","","","","has coordinates","226295","2020-10-21","18:00:00",""
"4034773","5.1322","0.0003","10.6941","0.0007","36.958","0.002","90","","90","","90","","2028.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,6S,8S,9R)-8-Butyl-9-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Nolsøe, Jens M J; Antonsen, Simen; Görbitz, Carl H; Hansen, Trond V.; Nesman, Jannicke I.; Røhr, Åsmund K; Stenstrøm, Yngve H","Total Synthesis of (-)-Mucosin and Revision of Structure.","The Journal of organic chemistry","2018","83","24","15066","15076","10.1021/acs.joc.8b02318","","","0.71073","MoKα","","0.0947","0.0543","","","0.106","0.1311","","","","","","1.041","","","","has coordinates","226296","2020-10-21","18:00:00",""
"4034774","6.4402","0.0002","16.5039","0.0006","19.2685","0.0007","90","","90","","90","","2048.02","0.12","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Lu, Hong; Tan, Chang-Yin; Zhang, Huan-Xin; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","Participation of β-Ketothioamides in N-Heterocyclic Carbene-Catalyzed [3 + 3] Spiroannulation: Asymmetric Synthesis of Functionalized Spiro-piperidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15245","15255","10.1021/acs.joc.8b02520","","","1.54178","CuKα","","0.0481","0.0472","","","0.1278","0.1289","","","","","","1.036","","","","has coordinates","226297","2020-10-21","18:00:00",""
"4034775","6.16338","0.00008","33.2578","0.0005","9.94383","0.00014","90","","100.205","0.0008","90","","2006.04","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4'-benzylidene-3'-(4-chlorophenyl)-1-methylspiro[indoline-3,5'-oxazolidine]-2,2'-dione","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C96 H68 Cl4 N8 O12 -","4","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0697","0.0506","","","0.1467","0.1603","","","","","","1.128","","","","has coordinates,has disorder","226298","2020-10-21","18:00:00",""
"4034776","27.583","0.002","13.6001","0.001","10.2013","0.001","90","","104.589","0.004","90","","3703.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-4-benzylidene-3-(4-chlorophenyl)-1-oxa-3-azaspiro[4.5]decan-2-one'","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C168 H160 Cl8 N8 O16 -","8","1","","Potuganti, Gal Reddy; Indukuri, Divakar Reddy; Nanubolu, Jagadeesh Babu; Alla, Manjula","Copper-Catalyzed Domino Addition, Hydroamination, and Cyclization: A Multicomponent Approach to Spiro Oxazolidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15186","15194","10.1021/acs.joc.8b02461","","","0.71073","MoKα","","0.0921","0.055","","","0.1412","0.1641","","","","","","1.066","","","","has coordinates,has disorder","226299","2020-10-21","18:00:00",""
"4034777","10.8054","0.0008","7.8126","0.0006","28.528","0.003","90","","90","","90","","2408.3","0.4","298.84","0.1","298.84","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H12 F3 N O2 S -","- C11 H12 F3 N O2 S -","- C88 H96 F24 N8 O16 S8 -","8","1","","Wang, Xue-Juan; Su, Yan; Li, Rui; Gu, Peiming","Tf<sub>2</sub>O-Promoted Intramolecular Schmidt Reaction of the ω-Azido Carboxylic Acids.","The Journal of organic chemistry","2018","83","10","5816","5824","10.1021/acs.joc.8b00475","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1321","0.1499","","","","","","0.966","","","","has coordinates","226300","2020-10-21","18:00:00",""
"4034778","7.651","0.0007","18.5007","0.0015","38.062","0.003","90","","90","","90","","5387.6","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N2 O2 Si -","- C26 H41 N2 O2 Si -","- C208 H328 N16 O16 Si8 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.1136","0.0657","","","0.1384","0.1621","","","","","","0.938","","","","has coordinates,has disorder","226301","2020-10-21","18:00:00",""
"4034779","7.278","0.0002","17.8268","0.0005","18.0726","0.0005","90","","90","","90","","2344.8","0.11","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.0723","0.0579","","","0.1412","0.1601","","","","","","1.117","","","","has coordinates","226302","2020-10-21","18:00:00",""
"4034780","8.9373","0.0011","14.855","0.0015","8.7225","0.0011","90","","94.186","0.006","90","","1154.9","0.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Guchhait, Sankar K.; Sisodiya, Shailendra; Saini, Meenu; Shah, Yesha V.; Kumar, Gulshan; Daniel, Divine P.; Hura, Neha; Chaudhary, Vikas","Synthesis of Polyfunctionalized Pyrroles via a Tandem Reaction of Michael Addition and Intramolecular Cyanide-Mediated Nitrile-to-Nitrile Condensation.","The Journal of organic chemistry","2018","83","10","5807","5815","10.1021/acs.joc.8b00465","","","0.71075","MoKα","","0.0674","0.0534","","","0.1379","0.1502","","","","","","1.083","","","","has coordinates","226303","2020-10-21","18:00:00",""
"4034781","16.0106","0.0004","6.6008","0.0001","18.147","0.0004","90","","110.687","0.003","90","","1794.17","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,3R,4S,7S)-7-(2,4-dichlorophenyl)-4,5-dimethyl-3-phenyl-2-oxa-5-azabicyclo[5.1.0]octan-6-one","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0521","0.0509","","","0.1394","0.1417","","","","","","1.085","","","","has coordinates","226304","2020-10-21","18:00:00",""
"4034782","7.52861","0.00009","7.52861","0.00009","32.1688","0.0009","90","","90","","90","","1823.33","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","1","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0756","0.0758","","","","","","1.044","","","","has coordinates","226305","2020-10-21","18:00:00",""
"4034783","7.8387","0.0001","15.5575","0.0002","15.9678","0.0002","90","","90.449","0.001","90","","1947.22","0.04","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 F N O2 -","- C23 H26 F N O2 -","- C92 H104 F4 N4 O8 -","4","2","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.033","0.0315","","","0.0799","0.0817","","","","","","1.036","","","","has coordinates","226306","2020-10-21","18:00:00",""
"4034784","10.8287","0.0001","8.7361","0.0001","14.9004","0.0001","90","","91.5711","0.0007","90","","1409.06","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 1 21 1","P 2yb","4","","","","- C31 H38 Cl N O4 -","- C31 H38 Cl N O4 -","- C62 H76 Cl2 N2 O8 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0243","0.024","","0.0619","0.0615","0.0619","","","","","","1.0015","","","","has coordinates","226307","2020-10-21","18:00:00",""
"4034785","10.6785","0.0004","10.7888","0.0007","12.4332","0.0008","98.711","0.006","101.123","0.004","92.413","0.004","1385.53","0.14","150","","150","","","","","","","","from U of Wollongong","4","P 1","P 1","1","","","","- C29 H39 N O8 -","- C29 H39 N O8 -","- C58 H78 N2 O16 -","2","2","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0637","0.0539","","0.134","0.1269","0.134","","","","","","0.9928","","","","has coordinates","226308","2020-10-21","18:00:00",""
"4034786","5.8947","0.0001","11.9409","0.0001","32.5277","0.0004","90","","90","","90","","2289.56","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30.11 N O7.55 -","- C24 H30.106 N O7.553 -","- C96 H120.424 N4 O30.212 -","4","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0297","0.0286","","0.073","0.0721","0.073","","","","","","1.0012","","","","has coordinates","226309","2020-10-21","18:00:00",""
"4034787","13.3461","0.0002","5.1418","0.0001","19.3686","0.0002","90","","97.7303","0.0012","90","","1317.05","0.04","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C60 H70 N2 O10 -","2","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0389","0.038","","0.1038","0.1025","0.1038","","","","","","1.0125","","","","has coordinates","226310","2020-10-21","18:00:00",""
"4034788","12.1681","0.0002","13.7635","0.0004","19.2104","0.0006","100.542","0.002","90.699","0.002","90.063","0.002","3162.72","0.15","150","","150","","","","","","","","from U of Wollongong","5","P 1","P 1","1","","","","- C28 H39 N O10 S2 -","- C28 H39 N O10 S2 -","- C112 H156 N4 O40 S8 -","4","4","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","x-ray","1.54184","CuKα","","0.0676","0.0603","","0.1597","0.1518","0.1597","","","","","","0.9806","","","","has coordinates","226311","2020-10-21","18:00:00",""
"4034789","31.1008","0.0007","15.905","0.0006","22.8099","0.0007","90","","90","","90","","11283.1","0.6","150","2","150","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C30 H30 F8 N2 O3 -","- C30 H30 F8 N2 O3 -","- C480 H480 F128 N32 O48 -","16","2","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0472","0.0423","","","0.1114","0.1181","","","","","","1.024","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034790","12.554","0.0006","13.1199","0.0007","16.8258","0.0008","89.804","0.004","72.121","0.004","87.944","0.004","2635.7","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H62 F8 N2 O8 -","- C58 H62 F8 N2 O8 -","- C116 H124 F16 N4 O16 -","2","1","","Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Richard P.; Chiu, Sheng-Hsien","[2]Catenanes Displaying Switchable Gin-Trap-Like Motion.","The Journal of organic chemistry","2018","83","10","5619","5628","10.1021/acs.joc.8b00601","","","1.54178","CuKα","","0.0712","0.055","","","0.1444","0.1616","","","","","","1.037","","","","has coordinates,has disorder","226313","2020-10-21","18:00:00",""
"4034791","9.6013","0.0004","15.5775","0.0006","20.8542","0.0008","90","","90","","90","","3119","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C120 H136 N8 O24 S8 -","8","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.068","0.0497","","","0.13","0.1478","","","","","","1.023","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034792","9.7993","0.0006","25.1148","0.0012","17.0761","0.0008","90","","104.997","0.005","90","","4059.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C184 H168 N8 O24 S8 -","8","2","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0737","0.0466","","","0.1021","0.1166","","","","","","1.029","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034793","7.4724","0.0006","24.2647","0.0016","10.0623","0.0009","90","","107.984","0.01","90","","1735.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 F3 N O4 S -","- C15 H16 F3 N O4 S -","- C60 H64 F12 N4 O16 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0509","","","0.1259","0.1383","","","","","","1.052","","","","has coordinates,has disorder","226314","2020-10-21","18:00:00",""
"4034794","5.2705","0.0003","14.2552","0.0011","21.578","0.0015","90","","91.648","0.006","90","","1620.53","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 F N O3 S -","- C16 H18 F N O3 S -","- C64 H72 F4 N4 O12 S4 -","4","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0689","0.0437","","","0.0976","0.1123","","","","","","1.039","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034795","5.4695","0.0015","7.8263","0.0016","17.704","0.003","90","","94.45","0.02","90","","755.6","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","1","","Liu, Zhuqing; Huang, Fei; Wu, Ping; Wang, Quannan; Yu, Zhengkun","Amide Bond Formation Assisted by Vicinal Alkylthio Migration in Enaminones: Metal- and CO-Free Synthesis of α,β-Unsaturated Amides.","The Journal of organic chemistry","2018","83","10","5731","5750","10.1021/acs.joc.8b00775","","","0.71073","MoKα","","0.0501","0.0372","","","0.0723","0.0798","","","","","","1.048","","","","has coordinates","226314","2020-10-21","18:00:00",""
"4034796","9.7904","0.0003","9.9854","0.0003","11.9075","0.0004","66.686","0.003","83.345","0.002","75.053","0.003","1032.75","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C40 H44 N4 O10 S2 -","2","1","","Andrés, José M; Maestro, Alicia; Valle, María; Pedrosa, Rafael","Chiral Bifunctional Thioureas and Squaramides and Their Copolymers as Recoverable Organocatalysts. Stereoselective Synthesis of 2-Substituted 4-Amino-3-nitrobenzopyrans and 3-Functionalized 3,4-Diamino-4 H-Chromenes.","The Journal of organic chemistry","2018","83","10","5546","5557","10.1021/acs.joc.8b00567","","x-ray","1.54184","CuKα","","0.0441","0.0375","","","0.0959","0.102","","","","","","1.027","","","","has coordinates","226315","2020-10-21","18:00:00",""
"4034797","4.8209","0.0002","19.1877","0.0007","23.923","0.0008","109.218","0.002","95.529","0.002","96.646","0.002","2054.13","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80.99 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","- C96 H80.988 B2 N6 O4 S2 -","1","0.5","","Li, Guangfeng; Chen, Yijing; Qiao, Yanjun; Lu, Yifan; Zhou, Gang","Charge Transfer Switching in Donor-Acceptor Systems Based on BN-Fused Naphthalimides.","The Journal of organic chemistry","2018","83","10","5577","5587","10.1021/acs.joc.8b00597","","","1.54178","CuKα","","0.0703","0.0525","","","0.1578","0.1711","","","","","","1.194","","","","has coordinates,has disorder","226316","2020-10-21","18:00:00",""
"4034798","14.755","0.002","6.0419","0.0007","16.653","0.002","90","","105.827","0.01","90","","1428.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","","Che, Chao; Qian, Zhaosheng; Wu, Mingchang; Zhao, Ying; Zhu, Gangguo","Intermolecular Oxidative Radical Addition to Aromatic Aldehydes: Direct Access to 1,4- and 1,5-Diketones via Silver-Catalyzed Ring-Opening Acylation of Cyclopropanols and Cyclobutanols.","The Journal of organic chemistry","2018","83","10","5665","5673","10.1021/acs.joc.8b00666","","","0.71073","MoKα","","","0.0874","","","0.1472","0.1776","","","","","","1.152","","","","has coordinates","226317","2020-10-21","18:00:00",""
"4034799","6.4182","0.001","8.0455","0.001","20.61","0.003","79.262","0.006","88.226","0.008","85.037","0.007","1041.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl O4 S -","- C26 H19 Cl O4 S -","- C52 H38 Cl2 O8 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Phosphine-Catalyzed Domino Reaction of Thioaurones and Allenoate: Synthesis of Benzothiophene-Fused Dioxabicyclo[3.3.1]nonane Derivatives.","The Journal of organic chemistry","2018","83","10","5410","5419","10.1021/acs.joc.8b00145","","","0.71073","MoKα","","0.0336","0.0287","","","0.0751","0.0778","","","","","","1.044","","","","has coordinates","226318","2020-10-21","18:00:00",""
"4034800","14.852","0.009","5.609","0.003","23.749","0.014","90","","95.694","0.009","90","","1969","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 F3 O S -","- C22 H19 F3 O S -","- C88 H76 F12 O4 S4 -","4","1","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.2759","0.136","","","0.3528","0.4104","","","","","","1.018","","","","has coordinates","226320","2020-10-21","18:00:00",""
"4034801","12.3929","0.0013","18.2045","0.0019","14.051","0.0014","90","","101.083","0.002","90","","3110.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2.6 H2.4 Cu F3 N0.8 S -","- C2.6 H2.4 Cu F3 N0.8 S -","- C52 H48 Cu20 F60 N16 S20 -","20","5","","Xiao, Zhiwei; Liu, Yongan; Zheng, Liping; Liu, Chao; Guo, Yong; Chen, Qing-Yun","Oxidative Radical Intermolecular Trifluoromethylthioarylation of Styrenes by Arenediazonium Salts and Copper(I) Trifluoromethylthiolate.","The Journal of organic chemistry","2018","83","10","5836","5843","10.1021/acs.joc.8b00650","","","0.71073","MoKα","","0.0508","0.0288","","","0.0754","0.0861","","","","","","1.045","","","","has coordinates,has disorder","226321","2020-10-21","18:00:00",""
"4034802","10.0279","0.001","10.7137","0.0011","12.0696","0.0013","114.501","0.011","105.583","0.009","99.683","0.009","1077.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C54 H48 N4 O4 -","2","1","","Cheng, Cheng; Zhang, Jiayong; Wang, Xue; Miao, Zhiwei","DBU-Promoted [4 + 4] Domino Cycloaddition of Ynones with Benzylidenepyrazolones To Access Eight-Membered Cyclic Ethers.","The Journal of organic chemistry","2018","83","10","5450","5457","10.1021/acs.joc.8b00352","","","0.71073","MoKα","","0.0657","0.0527","","","0.1414","0.1534","","","","","","1.022","","","","has coordinates","226322","2020-10-21","18:00:00",""
"4034803","13.5592","0.0003","13.5592","0.0003","5.6888","0.0002","90","","90","","120","","905.77","0.04","173","2","173","2","","","","","","","","3","P 31","P 31","144","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","1","","Scholl, Katie; Dillashaw, John; Timpy, Evan; Lam, Yu-Hong; DeRatt, Lindsey; Benton, Tyler R.; Powell, Jacqueline P.; Houk, K. N.; Morgan, Jeremy B.","Quinine-Promoted, Enantioselective Boron-Tethered Diels-Alder Reaction by Anomeric Control of Transition-State Conformation.","The Journal of organic chemistry","2018","83","10","5756","5765","10.1021/acs.joc.8b00938","","","1.54178","CuKα","","0.028","0.0279","","","0.0727","0.0728","","","","","","1.07","","","","has coordinates","226323","2020-10-21","18:00:00",""
"4034804","13.0957","0.0004","19.0281","0.0007","19.8599","0.0006","68.022","0.003","88.534","0.003","87.009","0.003","4582.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H122 Cl2 O2 Si2 -","- C101.001 H122.002 Cl2.002 O2 Si2 -","- C202.002 H244.004 Cl4.004 O4 Si4 -","2","1","","Nagaoka, Maiko; Tsurumaki, Eiji; Nishiuchi, Mai; Iwanaga, Tetsuo; Toyota, Shinji","Synthesis and Electronic Properties of Length-Defined 9,10-Anthrylene-Butadiynylene Oligomers.","The Journal of organic chemistry","2018","83","10","5784","5790","10.1021/acs.joc.8b00311","","","0.71073","MoKα","","0.1564","0.0992","","","0.2599","0.3037","","","","","","1.01","","","","has coordinates,has disorder","226324","2020-10-21","18:00:00",""
"4034805","23.7477","0.0013","7.4516","0.0003","7.8082","0.0004","90","","90","","90","","1381.73","0.12","292","","292","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","0.5","","Espinoza-Hicks, Carlos; Montoya, Pablo; Bautista, Rafael; Jiménez-Vázquez, Hugo A; Rodríguez-Valdez, Luz M; Camacho-Dávila, Alejandro A; Cossío, Fernando P; Delgado, Francisco; Tamariz, Joaquín","Synthesis of exo-Imidazolidin-2-one Dienes, Their Isomerization, and Selectivity in Diels-Alder Cycloadditions.","The Journal of organic chemistry","2018","83","10","5347","5364","10.1021/acs.joc.7b02344","","","0.71073","MoKα","","0.08","0.0577","","","0.1268","0.1384","","","","","","1.075","","","","has coordinates","226325","2020-10-21","18:00:00",""
"4034806","32.1108","0.0018","32.1108","0.0018","8.1217","0.0005","90","","90","","120","","7252.4","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","2,2,5,5-Tetraethyl-3,4-bis(hydroxymethyl)pyrrolidin-1-oxyl","","- C14 H28 N O3 -","- C14 H28 N O3 -","- C252 H504 N18 O54 -","18","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.1199","0.0774","","","0.2323","0.2916","","","","","","1.017","","","","has coordinates","226326","2020-10-21","18:00:00",""
"4034807","13.9856","0.0005","12.0156","0.0005","15.6049","0.0006","90","","90","","90","","2622.33","0.18","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,2,5-Triethyl-3,4-bis(hydroxymethyl)-3,4-dihydro-2H-pyrrole 1-oxide","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C96 H184 N8 O24 -","8","1","","Dobrynin, Sergey A.; Glazachev, Yuri I.; Gatilov, Yuri V.; Chernyak, Elena I.; Salnikov, George E.; Kirilyuk, Igor A.","Synthesis of 3,4-Bis(hydroxymethyl)-2,2,5,5-tetraethylpyrrolidin-1-oxyl via 1,3-Dipolar Cycloaddition of Azomethine Ylide to Activated Alkene.","The Journal of organic chemistry","2018","83","10","5392","5397","10.1021/acs.joc.8b00085","","","0.71073","MoKα","","0.0643","0.0517","","","0.1318","0.1419","","","","","","1.058","","","","has coordinates","226327","2020-10-21","18:00:00",""
"4034808","9.5531","0.0019","10.421","0.002","13.525","0.003","90","","90","","90","","1346.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0411","","","0.0788","0.0825","","","","","","1.078","","","","has coordinates","226328","2020-10-21","18:00:00",""
"4034809","9.3072","0.0019","11.839","0.002","13.106","0.003","90","","90","","90","","1444.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0458","","","0.1194","0.1236","","","","","","1.093","","","","has coordinates","226329","2020-10-21","18:00:00",""
"4034810","7.3827","0.0003","11.4509","0.0005","14.5547","0.0006","77.556","0.002","86.847","0.002","77.599","0.002","1173.44","0.09","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C38 H36 -","- C38 H36 -","- C76 H72 -","2","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0588","0.0445","","","0.1156","0.1241","","","","","","1.018","","","","has coordinates","226330","2020-10-21","18:00:00",""
"4034811","11.9655","0.0003","15.3718","0.0004","16.7007","0.0004","90","","90","","90","","3071.78","0.13","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I2 -","- C19 H18 I2 -","- C152 H144 I16 -","8","1","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0319","0.0253","","","0.0672","0.0711","","","","","","1.04","","","","has coordinates","226331","2020-10-21","18:00:00",""
"4034812","5.9104","0.0004","11.1856","0.0008","19.9679","0.0014","105.046","0.002","96.566","0.002","90.113","0.002","1265.8","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C19 H20 -","- C19 H20 -","- C76 H80 -","4","2","","Camps, Pelayo; Lozano, David; Barbaraci, Carla; Font-Bardia, Merce; Luque, F. Javier; Estarellas, Carolina","Generation and Reactions of an Octacyclic Hindered Pyramidalized Alkene.","The Journal of organic chemistry","2018","83","10","5420","5430","10.1021/acs.joc.8b00212","","","0.71073","MoKα","","0.0651","0.0545","","","0.1622","0.17","","","","","","1.044","","","","has coordinates","226332","2020-10-21","18:00:00",""
"4034813","11.0791","0.0001","11.8232","0.0001","31.0969","0.0005","90","","90","","90","","4073.4","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 N4 O9 -","- C43 H54 N4 O9 -","- C172 H216 N16 O36 -","4","1","","Li, Ni-Ping; Liu, Miao; Huang, Xiao-Jun; Gong, Xue-Ying; Zhang, Wei; Cheng, Min-Jing; Ye, Wen-Cai; Wang, Lei","Gelsecorydines A-E, Five Gelsedine-Corynanthe-Type Bisindole Alkaloids from the Fruits of Gelsemium elegans.","The Journal of organic chemistry","2018","83","10","5707","5714","10.1021/acs.joc.8b00736","","x-ray","1.54184","CuKα","","0.048","0.0435","","","0.1056","0.1074","","","","","","1.052","","","","has coordinates","226333","2020-10-21","18:00:00",""
"4034814","13.4745","0.0004","16.8109","0.0005","9.146","0.0003","90","","97.968","0.003","90","","2051.74","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F N3 O4 -","- C23 H24 F N3 O4 -","- C92 H96 F4 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0454","0.0377","","","0.0925","0.098","","","","","","1.033","","","","has coordinates","226334","2020-10-21","18:00:00",""
"4034815","14.53442","0.00014","22.08306","0.00016","14.82247","0.00015","90","","113.821","0.0012","90","","4352.2","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 F2 N3 O4 -","- C26 H21 F2 N3 O4 -","- C208 H168 F16 N24 O32 -","8","2","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0393","0.0329","","","0.0801","0.0838","","","","","","1.027","","","","has coordinates","226335","2020-10-21","18:00:00",""
"4034816","6.8496","0.0003","10.139","0.0004","12.0844","0.0004","89.339","0.003","77.612","0.003","80.243","0.003","807.57","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 F N3 O3 -","- C17 H20 F N3 O3 -","- C34 H40 F2 N6 O6 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","1.54184","CuKα","","0.0401","0.0349","","","0.0879","0.0929","","","","","","1.027","","","","has coordinates","226336","2020-10-21","18:00:00",""
"4034817","26.451","0.0009","7.526","0.0002","20.2835","0.0007","90","","99.598","0.003","90","","3981.3","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H20 N3 O8.5 S -","- C19 H20 N3 O8.5 S -","- C152 H160 N24 O68 S8 -","8","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0404","0.0339","","","0.079","0.0824","","","","","","1.057","","","","has coordinates,has disorder","226337","2020-10-21","18:00:00",""
"4034818","13.6746","0.0002","17.7585","0.0003","8.82977","0.00016","90","","98.9764","0.0017","90","","2117.96","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","x-ray","1.54184","CuKα","","0.0547","0.044","","","0.1112","0.1205","","","","","","1.029","","","","has coordinates","226338","2020-10-21","18:00:00",""
"4034819","6.8791","0.0003","16.782","0.0007","8.8948","0.0004","90","","95.33","0.004","90","","1022.42","0.08","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H24 N2 O8 -","- C21 H25 N2 O8 -","- C42 H50 N4 O16 -","2","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0377","0.0342","","","0.0796","0.0823","","","","","","1.051","","","","has coordinates","226339","2020-10-21","18:00:00",""
"4034820","13.223","0.0003","13.84641","0.00019","13.2855","0.0003","90","","118.705","0.003","90","","2133.52","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N3 O3 -","- C24 H21 F2 N3 O3 -","- C96 H84 F8 N12 O12 -","4","1","","Usmanova, Liliia; Dar'in, Dmitry; Novikov, Mikhail S.; Gureev, Maxim; Krasavin, Mikhail","Bicyclic Piperazine Mimetics of the Peptide β-Turn Assembled via the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","10","5859","5868","10.1021/acs.joc.8b00811","","","0.71073","MoKα","","0.0383","0.0349","","","0.088","0.0909","","","","","","1.027","","","","has coordinates","226340","2020-10-21","18:00:00",""
"4034821","6.5047","0.0003","17.1549","0.0007","16.2889","0.0007","90","","91.085","0.004","90","","1817.31","0.14","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","2","","Peng, Xing-Rong; Lu, Shuang-Yang; Shao, Li-Dong; Zhou, Lin; Qiu, Ming-Hua","Structural Elucidation and Biomimetic Synthesis of (±)-Cochlactone A with Anti-Inflammatory Activity.","The Journal of organic chemistry","2018","83","10","5516","5522","10.1021/acs.joc.8b00525","","x-ray","1.54184","CuKα","","0.0995","0.0936","","","0.2703","0.2747","","","","","","1.081","","","","has coordinates,has disorder","226341","2020-10-21","18:00:00",""
"4034822","10.617","0.002","6.9496","0.0014","20.782","0.006","90","","110.52","0.03","90","","1436.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N2 O0 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Wang, Xu; He, Dandan; Huang, Yubing; Fan, Qihang; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Synthesis of Substituted Quinazolines from Benzonitriles and 2-Ethynylanilines via Carbon-Carbon Bond Cleavage Using Molecular Oxygen.","The Journal of organic chemistry","2018","83","10","5458","5466","10.1021/acs.joc.8b00378","","","0.71073","MoKα","","0.1436","0.0545","","","0.1283","0.1976","","","","","","0.92","","","","has coordinates","226342","2020-10-21","18:00:00",""
"4034823","9.794","0.005","13.608","0.005","23.799","0.005","90","0.005","95.22","0.005","90","0.005","3159","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cyclo-adduct","","","- C34 H40 N2 O7 -","- C34 H40 N2 O7 -","- C136 H160 N8 O28 -","4","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.1538","0.0768","","","0.1654","0.2017","","","","","","1.049","","","","has coordinates","226343","2020-10-21","18:00:00",""
"4034824","6.587","0.005","10.692","0.005","11.061","0.005","90","0.005","93.961","0.005","90","0.005","777.1","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Dey, Raghunath; Kumar, Pankaj; Banerjee, Prabal","Lewis Acid Catalyzed Annulation of Cyclopropane Carbaldehydes and Aryl Hydrazines: Construction of Tetrahydropyridazines and Application Toward a One-Pot Synthesis of Hexahydropyrrolo[1,2- b]pyridazines.","The Journal of organic chemistry","2018","83","10","5438","5449","10.1021/acs.joc.8b00332","","","0.71073","MoKα","","0.0788","0.0576","","","0.1176","0.126","","","","","","1.086","","","","has coordinates","226344","2020-10-21","18:00:00",""
"4034825","11.6786","0.0008","10.5551","0.0006","12.611","0.001","90","","108.536","0.008","90","","1473.9","0.19","293.95","0.1","293.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br N O -","- C17 H17 Br N O -","- C68 H68 Br4 N4 O4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0582","0.0376","","","0.0793","0.0896","","","","","","1.0465","","","","has coordinates","226345","2020-10-21","18:00:00",""
"4034826","14.3705","0.0012","8.1129","0.0007","10.191","0.0008","90","","93.616","0.007","90","","1185.77","0.17","295.6","0.2","295.6","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0998","0.0617","","","0.1061","0.1251","","","","","","1.036","","","","has coordinates","226346","2020-10-21","18:00:00",""
"4034827","7.1388","0.0007","18.695","0.002","10.5157","0.0013","90","","104.938","0.01","90","","1356","0.3","295.6","0.3","295.6","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O3 Se -","- C12 H14 N2 O3 Se -","- C48 H56 N8 O12 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.079","0.0445","","","0.0853","0.1","","","","","","1.0411","","","","has coordinates","226347","2020-10-21","18:00:00",""
"4034828","7.3016","0.0007","11.2744","0.001","16.071","0.0017","90","","102.442","0.01","90","","1291.9","0.2","293.07","0.12","293.07","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N2 O4 -","- C12 H12 Br N2 O4 -","- C48 H48 Br4 N8 O16 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0566","0.038","","","0.0894","0.099","","","","","","1.0607","","","","has coordinates","226348","2020-10-21","18:00:00",""
"4034829","7.6221","0.0012","24.039","0.003","14.983","0.002","90","","94.073","0.016","90","","2738.4","0.7","296.2","0.2","296.2","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C104 H136 N8 O16 Se8 -","8","2","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.0975","0.0494","","","0.0895","0.1106","","","","","","1.0366","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4034830","13.1752","0.0017","7.1057","0.0006","13.7654","0.0016","90","","111.1","0.014","90","","1202.3","0.3","296.5","0.2","296.5","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1198","0.0764","","","0.1754","0.2013","","","","","","1.076","","","","has coordinates","226350","2020-10-21","18:00:00",""
"4034831","10.079","0.002","9.9043","0.0012","11.905","0.0019","90","","107.125","0.019","90","","1135.7","0.3","294.4","0.3","294.4","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O S Se -","- C10 H11 N O S Se -","- C40 H44 N4 O4 S4 Se4 -","4","1","","Shangpliang, O. Risuklang; Kshiar, Baskhemlang; Wanniang, Kmendashisha; Marpna, Ibakyntiew D.; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Selenium Dioxide As an Alternative Reagent for the Direct α-Selenoamidation of Aryl Methyl Ketones.","The Journal of organic chemistry","2018","83","10","5829","5835","10.1021/acs.joc.8b00558","","x-ray","0.71073","MoKα","","0.1099","0.0615","","","0.1371","0.1661","","","","","","1.0279","","","","has coordinates","226351","2020-10-21","18:00:00",""
"4034832","23.367","0.012","70.7","0.04","5.211","0.003","90","","90","","90","","8609","8","296","2","296.15","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C432 H416 O64 -","16","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.1943","0.0641","","","0.1052","0.1406","","","","","","0.954","","","","has coordinates","226352","2020-10-21","18:00:00",""
"4034833","9.7271","0.0009","12.1139","0.0011","13.3466","0.0012","116.056","0.001","102.825","0.001","98.745","0.001","1320.5","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Wang, Cong-Shuai; Cheng, Yu-Chun; Zhou, Ji; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Metal-Catalyzed Oxa-[4+2] Cyclizations of Quinone Methides with Alkynyl Benzyl Alcohols.","The Journal of organic chemistry","2018","83","22","13861","13873","10.1021/acs.joc.8b02186","","","0.71073","MoKα","","0.056","0.0488","","","0.1325","0.1396","","","","","","1.037","","","","has coordinates","226353","2020-10-21","18:00:00",""
"4034834","10.4367","0.0003","10.9382","0.0003","17.4996","0.0005","95.746","0.001","94.601","0.001","93.95","0.001","1975.32","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile","","- C23 H16 Cl N5 -","- C23 H16 Cl N5 -","- C92 H64 Cl4 N20 -","4","2","","Shylaja, Adaikalam; Roja, Somi Santharam; Priya, Rakkappan Vishnu; Kumar, Raju Ranjith","Four-Component Domino Synthesis of Pyrazolo[3,4- h]quinoline-3-carbonitriles: ""Turn-Off"" Fluorescent Chemosensor for Fe<sup>3+</sup> Ions.","The Journal of organic chemistry","2018","83","22","14084","14090","10.1021/acs.joc.8b01991","","","1.54178","CuKα","","0.0836","0.0655","","","0.1597","0.1633","","","","","","1.434","","","","has coordinates","226354","2020-10-21","18:00:00",""
"4034835","9.871","0.0006","12.4156","0.0008","20.595","0.0011","90","","90","","90","","2524","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 B F4 N4 S -","- C22 H35 B F4 N4 S -","- C88 H140 B4 F16 N16 S4 -","4","1","","Smajlagic, Ivor; Durán, Rocio; Pilkington, Melanie; Dudding, Travis","Cyclopropenium Enhanced Thiourea Catalysis.","The Journal of organic chemistry","2018","83","22","13973","13980","10.1021/acs.joc.8b02321","","","0.71073","MoKα","","0.0486","0.0434","","","0.0848","0.0861","","","","","","1.607","","","","has coordinates","226355","2020-10-21","18:00:00",""
"4034836","13.876","0.0016","8.3029","0.001","16.3492","0.0019","90","","109.509","0.002","90","","1775.5","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Liu, Si-Wei; Gao, Ying-Juan; Shi, Yin; Zhou, Lin; Tang, Xue; Cui, Hai-Lei","Synthesis of Benzoindolizines through 1,5-Electrocyclization/Oxidation Cascades.","The Journal of organic chemistry","2018","83","22","13754","13764","10.1021/acs.joc.8b02065","","","0.71073","MoKα","","0.0732","0.0438","","","0.106","0.1241","","","","","","1.021","","","","has coordinates","226356","2020-10-21","18:00:00",""
"4034837","49.965","0.003","11.2745","0.0006","17.0005","0.0009","90","","106.754","0.002","90","","9170.4","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H11 F3 O2 -","- C20 H11 F3 O2 -","- C480 H264 F72 O48 -","24","3","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.1221","0.0714","","","0.1321","0.1494","","","","","","1.101","","","","has coordinates","226357","2020-10-21","18:00:00",""
"4034838","16.332","0.0007","5.8285","0.0003","18.1478","0.0009","90","","110.894","0.002","90","","1613.91","0.14","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C80 H60 Br4 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0784","0.0435","","","0.0665","0.0742","","","","","","1.077","","","","has coordinates","226358","2020-10-21","18:00:00",""
"4034839","18.9528","0.0012","8.6413","0.0004","20.2208","0.0012","90","","90","","90","","3311.7","0.3","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F O2 -","- C22 H17 F O2 -","- C176 H136 F8 O16 -","8","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0874","0.048","","","0.0998","0.119","","","","","","1.067","","","","has coordinates","226359","2020-10-21","18:00:00",""
"4034840","8.8809","0.0007","9.9983","0.0008","12.0332","0.001","93.22","0.003","110.773","0.003","94.323","0.003","992.23","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 F O6 -","- C24 H21 F O6 -","- C48 H42 F2 O12 -","2","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0495","0.0414","","","0.1038","0.1081","","","","","","1.047","","","","has coordinates","226360","2020-10-21","18:00:00",""
"4034841","8.7051","0.0003","17.9724","0.0006","10.7664","0.0004","90","","112.431","0.001","90","","1556.98","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0778","0.0454","","","0.0799","0.092","","","","","","1.038","","","","has coordinates","226361","2020-10-21","18:00:00",""
"4034842","7.7883","0.0004","11.6157","0.0006","18.1845","0.001","90","","90","","90","","1645.09","0.15","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Ausekle, Elina; Ehlers, Peter; Villinger, Alexander; Langer, Peter","One-Pot Synthesis of Dibenzo[ b, d]oxepines via Olefinic C-F Bond Functionalization and Intramolecular Pd-Catalyzed C-H Arylation.","The Journal of organic chemistry","2018","83","22","14195","14202","10.1021/acs.joc.8b02374","","","0.71073","MoKα","","0.0606","0.0447","","","0.0948","0.1014","","","","","","1.055","","","","has coordinates","226362","2020-10-21","18:00:00",""
"4034843","8.002","0.005","10.041","0.006","14.272","0.009","90","","101.839","0.01","90","","1122.3","1.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl N3 O5 -","- C24 H22 Cl N3 O5 -","- C48 H44 Cl2 N6 O10 -","2","1","","Kato, Shuma; Suzuki, Yuko; Suzuki, Kota; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Silver-Catalyzed Diastereo- and Enantioselective Michael Addition and 1,3-Dipolar Cycloaddition Reactions of Imino Esters to 3-Methyl-4-nitro-5-styrylisoxazoles.","The Journal of organic chemistry","2018","83","22","13965","13972","10.1021/acs.joc.8b02309","","","0.71075","MoKα","","0.0675","0.048","","","0.089","0.0998","","","","","","0.96","","","","has coordinates","226363","2020-10-21","18:00:00",""
"4034844","9.8988","0.0007","10.1507","0.0007","10.2605","0.0008","111.653","0.002","95.303","0.002","114.76","0.002","832.05","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C36 H36 O10 S2 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.0662","0.0477","","","0.1223","0.1355","","","","","","1.017","","","","has coordinates","226364","2020-10-21","18:00:00",""
"4034845","18.081","0.002","16.06","0.002","13.683","0.003","90","","97.75","0.014","90","","3937","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C176 H136 Br8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0886","0.0501","","","0.126","0.1739","","","","","","0.977","","","","has coordinates","226365","2020-10-21","18:00:00",""
"4034846","9.945","0.0017","9.9498","0.0015","18.21","0.003","90","","103.549","0.018","90","","1751.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 S -","- C18 H18 O7 S -","- C72 H72 O28 S4 -","4","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.086","0.0721","","","0.1844","0.1967","","","","","","1.326","","","","has coordinates","226366","2020-10-21","18:00:00",""
"4034847","8.7061","0.0007","10.3173","0.0007","12.389","0.0008","78.715","0.006","73.044","0.007","87.566","0.006","1043.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 F O3 S2 -","- C22 H21 F O3 S2 -","- C44 H42 F2 O6 S4 -","2","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","x-ray","0.71073","MoKα","","0.0511","0.0416","","","0.1342","0.1446","","","","","","1.072","","","","has coordinates","226367","2020-10-21","18:00:00",""
"4034848","9.7362","0.0008","14.1432","0.0011","15.9734","0.0012","105.417","0.004","90.289","0.004","98.775","0.004","2093.2","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3.5 H3 Cl0.33 O0.5 S0.33 -","- C3.5 H2.91667 Cl0.333333 O0.5 S0.333333 -","- C84 H70 Cl8 O12 S8 -","24","12","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","1.54178","CuKα","","0.1533","0.1086","","","0.2805","0.3136","","","","","","1.049","","","","has coordinates","226368","2020-10-21","18:00:00",""
"4034849","29.068","0.003","8.7264","0.0008","17.6647","0.0017","90","","98.078","0.01","90","","4436.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl O4 S -","- C22 H19 Cl O4 S -","- C176 H152 Cl8 O32 S8 -","8","1","","Ding, Wenhuan; Zhang, Youquan; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Substrate-Controlled Domino Reactions of Crotonate-Derived Sulfur Ylides: Synthesis of Benzothiophene Derivatives.","The Journal of organic chemistry","2018","83","22","13821","13833","10.1021/acs.joc.8b02152","","","0.71073","MoKα","","0.099","0.0536","","","0.1284","0.149","","","","","","0.952","","","","has coordinates,has disorder","226369","2020-10-21","18:00:00",""
"4034850","7.312","0.003","8.177","0.003","27.472","0.011","90","","91.36","0.004","90","","1642.1","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Xiao, Xinsheng; Jia, Guokai; Liu, Fang; Ou, Guangchuan; Xie, Ying","RuHCl(CO)(PPh<sub>3</sub>)<sub>3</sub>-Catalyzed Direct Amidation of Arene C-H Bond with Azides.","The Journal of organic chemistry","2018","83","22","13811","13820","10.1021/acs.joc.8b02123","","","0.71073","MoKα","","0.0479","0.0424","","","0.1204","0.1255","","","","","","1.039","","","","has coordinates","226370","2020-10-21","18:00:00",""
"4034851","14.355","0.0007","14.3892","0.0007","14.7769","0.0007","90","","114.37","0.002","90","","2780.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Wu, Xin-Xing; Liu, Anjia; Mou, Mou; Chen, Hengfan; Chen, Shufeng","Palladium-Catalyzed Cascade Carbopalladation/Phenol Dearomatization Reaction: Construction of Diversely Functionalized Spirocarbocyclic Scaffolds.","The Journal of organic chemistry","2018","83","22","14181","14194","10.1021/acs.joc.8b02363","","","0.71073","MoKα","","0.0662","0.0533","","","0.1387","0.1541","","","","","","1.037","","","","has coordinates","226371","2020-10-21","18:00:00",""
"4034852","8.7721","0.0006","10.9916","0.0007","11.762","0.0008","71.533","0.002","76.722","0.002","68.484","0.002","992.41","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl3 N2 S -","- C22 H15 Cl3 N2 S -","- C44 H30 Cl6 N4 S2 -","2","1","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0391","0.0361","","","0.0918","0.0944","","","","","","1.066","","","","has coordinates","226372","2020-10-21","18:00:00",""
"4034853","19.3518","0.001","16.6426","0.0009","26.0808","0.0014","90","","103.78","0.002","90","","8157.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13.28571 H10.42857 N2.14286 S -","- C13.2857 H10.4286 N2.14286 S -","- C372 H292 N60 S28 -","28","7","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0411","0.034","","","0.0826","0.0868","","","","","","1.058","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4034854","19.118","0.0006","9.6242","0.0003","13.9894","0.0004","90","","120.51","0.001","90","","2217.59","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N4 S2 -","- C26 H20 N4 S2 -","- C104 H80 N16 S8 -","4","0.5","","Alajarin, Mateo; Lopez-Leonardo, Carmen; Orenes, Raul-Angel; Pastor, Aurelia; Sanchez-Andrada, Pilar; Vidal, Angel","Exploring the Conversion of Macrocyclic 2,2'-Biaryl Bis(thioureas) into Cyclic Monothioureas: An Experimental and Computational Investigation.","The Journal of organic chemistry","2018","83","22","14022","14035","10.1021/acs.joc.8b02496","","","1.54178","CuKα","","0.0421","0.0373","","","0.091","0.094","","","","","","1.122","","","","has coordinates","226374","2020-10-21","18:00:00",""
"4034855","9.4912","0.0008","9.683","0.0007","11.2408","0.001","83.928","0.006","81.695","0.007","69.792","0.007","957.57","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Obydennov, Dmitrii L.; El-Tantawy, Asmaa I; Sosnovskikh, Vyacheslav Y.","Synthesis of Multifunctionalized 2,3-Dihydro-4-pyridones and 4-Pyridones via the Reaction of Carbamoylated Enaminones with Aldehydes.","The Journal of organic chemistry","2018","83","22","13776","13786","10.1021/acs.joc.8b02075","","","0.71073","MoKα","","0.1137","0.0637","","","0.1615","0.2151","","","","","","1.007","","","","has coordinates","226375","2020-10-21","18:00:00",""
"4034856","11.2787","0.0002","10.57881","0.00017","31.2091","0.0005","90","","90","","90","","3723.72","0.11","100.01","0.1","100.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C29 H16 O -","- C29 H16 O -","- C232 H128 O8 -","8","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0547","0.0408","","","0.1096","0.122","","","","","","1.009","","","","has coordinates","226376","2020-10-21","18:00:00",""
"4034857","12.692","0.0018","12.8497","0.0014","19.663","0.005","94.683","0.014","107.646","0.017","90.179","0.01","3044.4","1","100.3","0.1","100.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C47.38 H28 O1.5 -","- C47.375 H28 O1.5 -","- C189.5 H112 O6 -","4","2","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.2153","0.1121","","","0.2665","0.3595","","","","","","1.027","","","","has coordinates,has disorder","226377","2020-10-21","18:00:00",""
"4034858","12.7858","0.0006","9.8955","0.0005","11.8458","0.0006","90","","94.954","0.005","90","","1493.15","0.13","100.01","0.01","100.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O -","- C24 H14 O -","- C96 H56 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","1.54184","CuKα","","0.0747","0.0513","","","0.1323","0.1517","","","","","","1.036","","","","has coordinates","226378","2020-10-21","18:00:00",""
"4034859","10.0272","0.0002","15.6481","0.0004","13.5191","0.0004","90","","109.497","0.003","90","","1999.6","0.1","120","0.1","120","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 O -","- C31 H20 O -","- C124 H80 O4 -","4","1","","Głodek, Marta; Makal, Anna; Plażuk, Damian","Functionalization of the ""Bay Region"" of Perylene in Reaction with 1-Arylalk-2-yn-1-ones Catalyzed by Trifluoromethanesulfonic Acid: One-Step Approach to 1-Acyl-2-alkylbenzo[ ghi]perylenes.","The Journal of organic chemistry","2018","83","22","14165","14174","10.1021/acs.joc.8b02280","","x-ray","0.71","MoKα","","0.0592","0.0491","","","0.1352","0.1435","","","","","","1.039","","","","has coordinates","226379","2020-10-21","18:00:00",""
"4034860","8.4239","0.0004","16.551","0.0007","7.518","0.0003","90","","90","","90","","1048.19","0.08","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Cl3 O -","- C9 H11 Cl3 O -","- C36 H44 Cl12 O4 -","4","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","","0.71073","MoKα","","0.0251","0.0218","","0.0281","0.0263","0.0263","","","","","","1.1034","","","","has coordinates","226380","2020-10-21","18:00:00",""
"4034861","7.4888","0.0005","8.8924","0.0006","9.2043","0.0006","83.085","0.006","86.309","0.006","81.87","0.006","601.67","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Br2 Cl O -","- C10 H13 Br2 Cl O -","- C20 H26 Br4 Cl2 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0623","0.0404","","","0.082","0.0982","","","","","","1.064","","","","has coordinates","226381","2020-10-21","18:00:00",""
"4034862","7.3031","0.0006","8.917","0.0007","9.1413","0.0008","81.507","0.007","85.452","0.007","80.354","0.007","579.54","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Cl3 O -","- C10 H13 Cl3 O -","- C20 H26 Cl6 O2 -","2","1","","Sharp, Phillip P.; Mikusek, Jiri; Ho, Junming; Krenske, Elizabeth H.; Banwell, Martin G.; Coote, Michelle L.; Ward, Jas S.; Willis, Anthony C.","Mechanistic Studies on the Base-Promoted Conversion of Alkoxy-Substituted, Ring-Fused gem-Dihalocyclopropanes into Furans: Evidence for a Process Involving Electrocyclic Ring Closure of a Carbonyl Ylide Intermediate.","The Journal of organic chemistry","2018","83","22","13678","13690","10.1021/acs.joc.8b01766","","x-ray","0.71073","MoKα","","0.0602","0.0412","","","0.0774","0.0913","","","","","","1.058","","","","has coordinates","226382","2020-10-21","18:00:00",""
"4034863","8.6493","0.0003","11.5382","0.0004","39.4347","0.0014","90","","90","","90","","3935.5","0.2","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H48 O10 -","- C45 H48 O10 -","- C180 H192 O40 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0359","0.0337","","","0.0916","0.0934","","","","","","1.027","","","","has coordinates","226383","2020-10-21","18:00:00",""
"4034864","14.8145","0.0014","15.5156","0.0015","19.1787","0.0019","90","","90","","90","","4408.3","0.7","205","","205","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 O13 -","- C45 H50 O13 -","- C180 H200 O52 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0437","0.0403","","","0.1147","0.1175","","","","","","1.038","","","","has coordinates","226384","2020-10-21","18:00:00",""
"4034865","12.4751","0.0004","19.2998","0.0003","24.0776","0.0007","90","","128.667","0.005","90","","4526.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N3 O4 S2 -","- C25 H19 N3 O4 S2 -","- C200 H152 N24 O32 S16 -","8","2","","Lu, Shuai; Tian, Lu-Lu; Cui, Tian-Wei; Zhu, Yu-Shen; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping","Copper-Mediated C-H Amination of Imidazopyridines with N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","22","13991","14000","10.1021/acs.joc.8b02348","","x-ray","1.54184","CuKα","","0.0583","0.047","","","0.1432","0.1555","","","","","","1.072","","","","has coordinates","226385","2020-10-21","18:00:00",""
"4034866","8.5148","0.0009","20.027","0.002","21.654","0.002","90","","90","","90","","3692.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 Cl3 N4 O4 -","- C39 H43 Cl3 N4 O4 -","- C156 H172 Cl12 N16 O16 -","4","1","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.0446","0.04","","","0.1068","0.1101","","","","","","1.047","","","","has coordinates","226386","2020-10-21","18:00:00",""
"4034867","15.809","0.003","37.886","0.008","26.539","0.005","90","","92.29","0.03","90","","15883","5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Cl2 N4 O4 -","- C38 H40 Cl2 N4 O4 -","- C608 H640 Cl32 N64 O64 -","16","8","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.1138","0.1032","","","0.2902","0.3035","","","","","","1.081","","","","has coordinates","226387","2020-10-21","18:00:00",""
"4034868","10.2343","0.001","22.018","0.002","19.33","0.0019","90","","91.074","0.002","90","","4355","0.7","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 F3 O3.5 P2 Pd S -","- C50 H44 F3 O3.5 P2 Pd S -","- C200 H176 F12 O14 P8 Pd4 S4 -","4","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.1175","0.0905","","","0.2009","0.2124","","","","","","0.994","","","","has coordinates,has disorder","276331","2022-06-28","15:21:15",""
"4034869","21.679","0.006","8.287","0.002","15.398","0.005","90","","106.663","0.005","90","","2650.1","1.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0523","0.041","","","0.1122","0.118","","","","","","1.079","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034870","16.0549","0.0014","6.3429","0.0006","27.394","0.003","90","","90","","90","","2789.7","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Zhang, Sheng; Yamamoto, Yoshinori; Bao, Ming","Palladium-Catalyzed Ligand-Controlled Regioselective Nucleophilic Aromatic Substitution of 1-(Chloromethyl)naphthalenes with Arylacetonitriles.","The Journal of organic chemistry","2018","83","22","13981","13990","10.1021/acs.joc.8b02343","","","0.71073","MoKα","","0.0793","0.0463","","","0.1299","0.1488","","","","","","1.022","","","","has coordinates","276331","2022-06-28","15:21:16",""
"4034871","9.5733","0.0003","11.0102","0.0005","12.0302","0.0004","77.447","0.004","67.451","0.003","85.529","0.003","1143.08","0.08","150","","150","","","","","","","","local","3","P -1","-P 1","2","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","","1.54184","CuKα","","0.0439","0.0406","","0.1094","0.1063","0.1094","","","","","","0.9894","","","","has coordinates","226391","2020-10-21","18:00:00",""
"4034872","9.5839","0.0001","12.703","0.0001","24.8305","0.0003","90","","90","","90","","3022.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C128 H224 O16 -","8","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.04","0.0396","","","0.1085","0.1092","","","","","","1.037","","","","has coordinates","226392","2020-10-21","18:00:00",""
"4034873","6.3617","0.0002","8.7528","0.0002","26.7339","0.0007","90","","90","","90","","1488.62","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.0513","0.0449","","","0.1091","0.1125","","","","","","1.034","","","","has coordinates","226393","2020-10-21","18:00:00",""
"4034874","28.813","0.002","28.813","0.002","6.1244","0.0007","90","","90","","90","","5084.4","0.8","93","","93","","","","","","","","","4","I 4","I 4","79","","","","- C26 H40 O5.25 Si -","- C26 H40 O5.0625 Si -","- C208 H320 O40.5 Si8 -","8","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0699","0.0584","","","0.1425","0.1485","","","","","","1.053","","","","has coordinates,has disorder","226394","2020-10-21","18:00:00",""
"4034875","6.7367","0.0003","22.9731","0.0007","16.5877","0.0012","90","","90.862","0.007","90","","2566.9","0.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 O5 Si -","- C26 H40 O5 Si -","- C104 H160 O20 Si4 -","4","2","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","1.54187","CuKα","","","0.0448","","","","0.1057","","","","","","1.032","","","","has coordinates","226395","2020-10-21","18:00:00",""
"4034876","18.622","0.003","14.558","0.002","13.376","0.002","90","","124.061","0.002","90","","3004.1","0.8","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H39 Br Cl2 O7 -","- C31 H39 Br Cl2 O7 -","- C124 H156 Br4 Cl8 O28 -","4","1","","Urabe, Daisuke; Nakagawa, Yuki; Mukai, Ken; Fukushima, Kei-Ichiro; Aoki, Naoto; Itoh, Hiroaki; Nagatomo, Masanori; Inoue, Masayuki","Total Synthesis and Biological Evaluation of 19-Hydroxysarmentogenin-3 -O-α-l-rhamnoside, Trewianin, and Their Aglycons.","The Journal of organic chemistry","2018","83","22","13888","13910","10.1021/acs.joc.8b02219","","","0.71073","MoKα","","0.0865","0.0613","","","0.1364","0.1495","","","","","","1.041","","","","has coordinates,has disorder","226396","2020-10-21","18:00:00",""
"4034877","13.866","0.002","9.4032","0.0015","22.169","0.004","90","","90","","90","","2890.5","0.8","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C128 H128 O32 S8 -","8","1","","Gao, Yuzhen; Zhang, Pengbo; Li, Gang; Zhao, Yufen","Cascade Annulation of 2-Alkynylthioanisoles with Unsaturated α-Bromocarbonyls Leading to Thio-Benzobicyclic Skeletons.","The Journal of organic chemistry","2018","83","22","13726","13733","10.1021/acs.joc.8b02001","","","0.71073","MoKα","","0.0667","0.0609","","","0.1888","0.1982","","","","","","0.764","","","","has coordinates","226397","2020-10-21","18:00:00",""
"4034878","19.084","0.004","7.094","0.0012","19.804","0.003","90","","104.739","0.018","90","","2592.9","0.8","295","2","295.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-((1E,3E)-4-(4-chlorophenyl)buta-1,3-dien-1-yl)-1-tosyl-1H-indole","","- C31 H24 Cl N O2 S -","- C31 H24 Cl N O2 S -","- C124 H96 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.104","0.0542","","","0.1293","0.1616","","","","","","0.985","","","","has coordinates","226398","2020-10-21","18:00:00",""
"4034879","11.655","0.003","28.028","0.006","7.709","0.002","90","","100.72","0.03","90","","2474.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl N O2 S -","- C31 H22 Cl N O2 S -","- C124 H88 Cl4 N4 O8 S4 -","4","1","","Makarov, Anton S.; Uchuskin, Maxim G.; Gevorgyan, Vladimir","Intramolecular Palladium-Catalyzed Oxidative Amination of Furans: Synthesis of Functionalized Indoles.","The Journal of organic chemistry","2018","83","22","14010","14021","10.1021/acs.joc.8b02470","","x-ray","0.71073","MoKα","","0.2182","0.1092","","","0.2409","0.3253","","","","","","1.0444","","","","has coordinates","226399","2020-10-21","18:00:00",""
"4034880","9.3106","0.0008","8.6278","0.0006","29.283","0.003","90","","93.252","0.008","90","","2348.5","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N2 O2 S2 -","- C25 H21 Br N2 O2 S2 -","- C100 H84 Br4 N8 O8 S8 -","4","1","","Wu, Li; Li, Zhenmin; Lu, Ping; Wang, Yanguang","Copper-Catalyzed Syntheses of 3-Allyl-3-arylthioindolin-2-imines and 3-Allenyl-3-arylthioindolin-2-imines from 3-Diazoindolin-2-imines.","The Journal of organic chemistry","2018","83","22","13956","13964","10.1021/acs.joc.8b02307","","","0.71073","MoKα","","0.0962","0.0597","","","0.12","0.1389","","","","","","1.02","","","","has coordinates","226400","2020-10-21","18:00:00",""
"4034881","13.2579","0.0002","26.1617","0.0004","6.9156","0.0001","90","","101.944","0.002","90","","2346.74","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(1S,8S)-tert-butyl 8-(3-bromophenyl)-6-(4-fluorobenzyl)-7-oxo-2,6-diazabicyclo[6.1.0]nonane-2-carboxylate","","- C25 H28 Br F N2 O3 -","- C25 H28 Br F N2 O3 -","- C100 H112 Br4 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0352","0.0293","","","0.0731","0.0771","","","","","","1.038","","","","has coordinates","226401","2020-10-21","18:00:00",""
"4034882","12.4593","0.0002","6.8297","0.0001","13.4353","0.0002","90","","101.635","0.001","90","","1119.76","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","(1S,7S)-tert-butyl 5-benzyl-7-(3-chlorophenyl)-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C24 H27 Cl N2 O3 -","- C24 H27 Cl N2 O3 -","- C48 H54 Cl2 N4 O6 -","2","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0366","0.033","","","0.0873","0.0907","","","","","","1.061","","","","has coordinates","226402","2020-10-21","18:00:00",""
"4034883","46.2855","0.0008","9.98373","0.00017","11.17619","0.00019","90","","96.7896","0.0017","90","","5128.32","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 6-oxo-5,7,8-triphenyl-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C30 H32 N2 O3 -","- C30 H32 N2 O3 -","- C240 H256 N16 O24 -","8","2","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0573","0.053","","","0.1411","0.1472","","","","","","1.047","","","","has coordinates","226403","2020-10-21","18:00:00",""
"4034884","10.1247","0.0001","13.3032","0.0001","18.0026","0.0001","90","","90","","90","","2424.79","0.03","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,4S,7S)-tert-butyl 5-benzyl-7-(4-hydroxyphenyl)-4-isopropyl-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C27 H33 F N2 O3 -","- C27 H33 F N2 O3 -","- C108 H132 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0261","0.0259","","","0.0668","0.067","","","","","","1.069","","","","has coordinates","226404","2020-10-21","18:00:00",""
"4034885","9.7058","0.0008","8.7259","0.0007","10.6058","0.0009","90","","93.731","0.002","90","","896.32","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0464","0.0353","","","0.0748","0.081","","","","","","1.071","","","","has coordinates,has disorder","226405","2020-10-21","18:00:00",""
"4034886","8.6931","0.0006","10.0516","0.0007","9.0312","0.0007","90","","97.883","0.002","90","","781.69","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Br O2 -","- C8 H9 Br O2 -","- C32 H36 Br4 O8 -","4","1","","Kim, Simon J.; Lough, Alan J.; Batey, Robert A.","An Approach to the 9-Oxo-10-oxabicyclo[5.3.0]dec-2-ene Core of the Guaianolide and Pseudoguaianolide Sesquiterpenes via a Domino Electrocyclic Ring-Opening/Carboxylic Acid Trapping of a gem-Dibromocyclopropane.","The Journal of organic chemistry","2018","83","22","13799","13810","10.1021/acs.joc.8b02081","","","0.71073","MoKα","","0.0233","0.0176","","","0.0438","0.046","","","","","","1.079","","","","has coordinates","226406","2020-10-21","18:00:00",""
"4034887","8.0587","0.0006","8.869","0.0007","10.2746","0.0008","82.634","0.003","75.552","0.003","88.084","0.003","705.26","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0405","0.0354","","","0.0889","0.0928","","","","","","1.053","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034888","22.457","0.003","5.2177","0.0007","25.976","0.003","90","","95.828","0.004","90","","3028","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0983","0.0561","","","0.1437","0.1661","","","","","","1.057","","","","has coordinates,has disorder","226407","2020-10-21","18:00:00",""
"4034889","6.8432","0.0002","18.7402","0.0007","11.7029","0.0004","90","","91.367","0.002","90","","1500.39","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0421","","","0.1042","0.1116","","","","","","1.067","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034890","12.0101","0.0014","10.6094","0.0013","15.9081","0.0019","90","","111.667","0.003","90","","1883.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0542","0.0388","","","0.0968","0.1079","","","","","","1.022","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034891","35.856","0.006","5.1944","0.001","19.808","0.003","90","","118.174","0.01","90","","3252.1","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 O4.5 -","- C19 H23 O4.5 -","- C152 H184 O36 -","8","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.1516","0.1046","","","0.2618","0.2804","","","","","","1.236","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034892","7.5282","0.0006","8.2601","0.0007","13.8286","0.0012","93.465","0.004","104.206","0.003","116.505","0.003","731.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C36 H32 O10 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting; Lai, Kai-Hsiang","mCPBA-Mediated Intramolecular Oxidative Annulation of ortho-Crotyl or Cinnamyl Arylaldehydes: Synthesis of Benzofused Five-, Six-, and Seven-Membered Oxacycles.","The Journal of organic chemistry","2018","83","22","14110","14119","10.1021/acs.joc.8b02146","","","0.71073","MoKα","","0.0427","0.0392","","","0.1054","0.1079","","","","","","1.134","","","","has coordinates","226407","2020-10-21","18:00:00",""
"4034893","9.1643","0.0002","15.052","0.0003","21.5352","0.0005","90","","90","","90","","2970.59","0.11","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F3 N2 O -","- C17 H13 F3 N2 O -","- C136 H104 F24 N16 O8 -","8","1","","Ryu, Heesun; Seo, Jeongseob; Ko, Haye Min","Synthesis of Spiro[oxindole-3,2'-pyrrolidine] Derivatives from Benzynes and Azomethine Ylides through 1,3-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","22","14102","14109","10.1021/acs.joc.8b02117","","","0.71073","MoKα","","0.0582","0.0444","","","0.1056","0.1138","","","","","","1.034","","","","has coordinates","226408","2020-10-21","18:00:00",""
"4034894","7.9342","0.0017","16.527","0.004","21.431","0.005","90","","90","","90","","2810.2","1.1","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H12 O2 S -","- C20 H12 O2 S -","- C160 H96 O16 S8 -","8","1","","Shi, Juan; Kang, Yang; Wang, Tao; Liang, Yong; Zhang, Zunting","Synthesis of Polycyclic Heteroaromatic Coumarins via Photoinduced Dehydrogenative Annulation of 4-Phenyl-3-heteroarylcoumarins.","The Journal of organic chemistry","2018","83","22","13940","13948","10.1021/acs.joc.8b02290","","","1.54178","CuKα","","0.0551","0.0444","","","0.1175","0.1201","","","","","","1.109","","","","has coordinates","226409","2020-10-21","18:00:00",""
"4034895","19.682","0.003","12.2539","0.0016","20.071","0.003","90","","97.184","0.003","90","","4802.7","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H20 O2 S2 -","- C87 H20 O2 S2 -","- C348 H80 O8 S8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1646","0.0877","","","0.143","0.1702","","","","","","1.077","","","","has coordinates","226410","2020-10-21","18:00:00",""
"4034896","10.1383","0.0009","26.353","0.002","34.019","0.003","90","","90","","90","","9089","1.3","293","2","293","2","","","","","","","","3","F d 2 d","F -2d -2d","43","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C688 H160 O16 -","8","0.5","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1006","0.0608","","","0.1127","0.1332","","","","","","1.041","","","","has coordinates","226411","2020-10-21","18:00:00",""
"4034897","10.9355","0.0007","19.3692","0.0012","23.4651","0.0014","90","","91.993","0.001","90","","4967.2","0.5","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C86 H20 O2 -","- C86 H20 O2 -","- C344 H80 O8 -","4","1","","He, Fa-Gui; Li, Zong-Jun; Yang, Wei-Wei; Gao, Xiang","Synthesis of (MeO)<sub>2</sub>Bn<sub>2</sub>C<sub>70</sub>: Regiochemistry of 2-fold Additions to C<sub>70</sub> with Addends That Are Preferential for Ortho Addition and Capable of Para Addition.","The Journal of organic chemistry","2018","83","22","13716","13725","10.1021/acs.joc.8b01977","","","0.71073","MoKα","","0.1055","0.0662","","","0.1421","0.1584","","","","","","0.982","","","","has coordinates","226412","2020-10-21","18:00:00",""
"4034898","8.8193","0.0007","14.8781","0.001","12.257","0.0008","90","","108.396","0.002","90","","1526.11","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H44 Cl Ir N3 O P -","- C29 H44 Cl Ir N3 O P -","- C58 H88 Cl2 Ir2 N6 O2 P2 -","2","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0349","0.0323","","","0.0841","0.0906","","","","","","1.034","","","","has coordinates","226413","2020-10-21","18:00:00",""
"4034899","10.079","0.0004","17.3965","0.0007","19.094","0.0007","90","","90","","90","","3347.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl3 Ir N3 O P -","- C30 H45 Cl3 Ir N3 O P -","- C120 H180 Cl12 Ir4 N12 O4 P4 -","4","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0422","0.0335","","","0.0587","0.0614","","","","","","1.024","","","","has coordinates,has disorder","226414","2020-10-21","18:00:00",""
"4034900","8.7586","0.0004","10.9593","0.0005","16.2878","0.0007","90","","90","","90","","1563.44","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0407","0.0346","","","0.0846","0.0876","","","","","","1.032","","","","has coordinates","226416","2020-10-21","18:00:00",""
"4034901","11.8081","0.0006","8.2915","0.0004","16.5801","0.0009","90","","91.337","0.001","90","","1622.86","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0718","0.0483","","","0.1209","0.1289","","","","","","1.069","","","","has coordinates","226417","2020-10-21","18:00:00",""
"4034902","5.6312","0.0002","13.6957","0.0006","15.9894","0.0006","90","","90","","90","","1233.15","0.08","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Richardson, Mark B.; Brown, Derek B.; Vasquez, Carlos A.; Ziller, Joseph W.; Johnston, Kevin M.; Weiss, Gregory A.","Synthesis and Explosion Hazards of 4-Azido-l-phenylalanine.","The Journal of organic chemistry","2018","83","8","4525","4536","10.1021/acs.joc.8b00270","","","0.71073","MoKα","","0.027","0.0253","","","0.064","0.065","","","","","","1.062","","","","has coordinates","226418","2020-10-21","18:00:00",""
"4034903","10.0969","0.0003","24.9962","0.0007","13.2961","0.0004","90","","110.034","0.001","90","","3152.67","0.16","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 Cl4 N O2 P -","- C34 H28 Cl4 N O2 P -","- C136 H112 Cl16 N4 O8 P4 -","4","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.0798","0.0643","","","0.173","0.1898","","","","","","1.032","","","","has coordinates,has disorder","226419","2020-10-21","18:00:00",""
"4034904","13.4763","0.0008","18.3817","0.001","25.4001","0.0013","90","","90","","90","","6292","0.6","173","2","173.01","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl2 N O3 P -","- C37 H32 Cl2 N O3 P -","- C296 H256 Cl16 N8 O24 P8 -","8","1","","Hu, Chen; Hong, Gang; He, Yuchen; Zhou, Chen; Kozlowski, Marisa C.; Wang, Limin","Lewis Acid-Controlled Regioselective Phosphorylation of 2-Indolylmethanols with Diarylphosphine Oxides: Synthesis of Highly Substituted Indoles.","The Journal of organic chemistry","2018","83","8","4739","4753","10.1021/acs.joc.8b00541","","","0.71073","MoKα","","0.1197","0.0785","","","0.1926","0.2189","","","","","","1.043","","","","has coordinates,has disorder","226420","2020-10-21","18:00:00",""
"4034905","12.6198","0.0004","13.9656","0.0004","9.6933","0.0003","90","","90","","90","","1708.38","0.09","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H28 B F3 N2 -","- C15 H28 B F3 N2 -","- C60 H112 B4 F12 N8 -","4","1","","Mir, Roya; Dudding, Travis","Bis(amino)cyclopropenium Trifluoroborates: Synthesis, Hydrolytic Stability Studies, and DFT Insights.","The Journal of organic chemistry","2018","83","8","4384","4388","10.1021/acs.joc.8b00060","","","0.71073","MoKα","","0.048","0.0401","","","0.1043","0.1088","","","","","","1.051","","","","has coordinates","226421","2020-10-21","18:00:00",""
"4034906","9.637","0.003","13.663","0.006","14.998","0.007","116.82","0.05","91.45","0.03","106.44","0.03","1663.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H20 F12 N4 O3 -","- C36 H20 F12 N4 O3 -","- C72 H40 F24 N8 O6 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Koutentis, Panayiotis A.","Synthesis and Characterization of Isodiphenylfluorindone and Isodiphenylfluorindinone.","The Journal of organic chemistry","2018","83","8","4754","4761","10.1021/acs.joc.8b00554","","","1.54184","CuKα","","0.2394","0.1736","","","0.4053","0.4953","","","","","","1.273","","","","has coordinates","226422","2020-10-21","18:00:00",""
"4034907","27.52","0.006","5.4702","0.0011","21.104","0.004","90","","90","","90","","3177","1.1","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","2","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.153","0.0613","","","0.093","0.1144","","","","","","1.012","","","","has coordinates","226423","2020-10-21","18:00:00",""
"4034908","34.532","0.007","5.4982","0.0011","24.983","0.005","90","","128.57","0.03","90","","3709","2","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(3-diazo-2-oxopropyl)-4-methyl-N-phenylbenzenesulfonamide","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C128 H120 N24 O24 S8 -","8","1","","Castoldi, Laura; Ielo, Laura; Holzer, Wolfgang; Giester, Gerald; Roller, Alexander; Pace, Vittorio","α-Arylamino Diazoketones: Diazomethane-Loading Controlled Synthesis, Spectroscopic Investigations, and Structural X-ray Analysis.","The Journal of organic chemistry","2018","83","8","4336","4347","10.1021/acs.joc.7b03134","","x-ray","0.71073","MoKα","","0.068","0.0417","","","0.1148","0.126","","","","","","1.061","","","","has coordinates,has disorder","226424","2020-10-21","18:00:00",""
"4034909","9.352","0.003","9.221","0.003","11.844","0.003","90","","109.862","0.004","90","","960.6","0.5","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C44 H44 O6 S2 -","2","1","","Wang, Yang; Deng, Lingling; Deng, Yu; Han, Jianlin","Copper-Catalyzed Multicomponent Reaction of DABCO·(SO<sub>2</sub>)<sub>2</sub>, Alcohols, and Aryl Diazoniums for the Synthesis of Sulfonic Esters.","The Journal of organic chemistry","2018","83","8","4674","4680","10.1021/acs.joc.8b00447","","","0.71073","MoKα","","0.0473","0.0443","","","0.1308","0.1429","","","","","","1.07","","","","has coordinates","226425","2020-10-21","18:00:00",""
"4034910","16.2541","0.0013","5.099","0.0003","16.9467","0.0011","90","","96.534","0.003","90","","1395.41","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N3 O -","- C17 H13 N3 O -","- C68 H52 N12 O4 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.0853","0.0521","","","0.124","0.1393","","","","","","1.023","","","","has coordinates","226426","2020-10-21","18:00:00",""
"4034911","17.005","0.003","15.917","0.002","30.298","0.005","90","","99.023","0.003","90","","8099","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 N6 O4 -","- C52 H42 N6 O4 -","- C416 H336 N48 O32 -","8","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Palladium-Catalyzed Decarboxylative ortho-Amidation of Indole-3-carboxylic Acids with Isothiocyanates Using Carboxyl as a Deciduous Directing Group.","The Journal of organic chemistry","2018","83","8","4375","4383","10.1021/acs.joc.8b00042","","","0.71073","MoKα","","0.1129","0.0759","","","0.1639","0.1822","","","","","","1.095","","","","has coordinates,has disorder","226426","2020-10-21","18:00:00",""
"4034912","26.6839","0.001","26.6839","0.001","10.228","0.0007","90","","90","","90","","7282.6","0.6","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H22 N2 O3 S -","- C20 H22 N2 O3 S -","- C320 H352 N32 O48 S16 -","16","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0805","0.0541","","","0.1239","0.1373","","","","","","1.049","","","","has coordinates","226427","2020-10-21","18:00:00",""
"4034913","7.6536","0.0007","10.6513","0.0008","11.9897","0.0011","108.64","0.007","105.947","0.008","102.109","0.007","841.66","0.15","138","50","138","50","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C38 H40 N4 O4 S2 -","2","1","","Liu, Xiaozu; Zhou, Yuxiang; Yang, Zhongqin; Li, Qin; Zhao, Liang; Liu, Peijun","Iodine-Catalyzed C-H Amidation and Imination at the 2α-Position of 2,3-Disubstituted Indoles with Chloramine Salts.","The Journal of organic chemistry","2018","83","8","4665","4673","10.1021/acs.joc.8b00286","","x-ray","0.71073","MoKα","","0.0776","0.06","","","0.1392","0.163","","","","","","1.019","","","","has coordinates","226428","2020-10-21","18:00:00",""
"4034914","10.668","0.0004","27.3709","0.0011","8.7513","0.0003","90","","97.269","0.001","90","","2534.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Br O3 S -","- C30 H25 Br O3 S -","- C120 H100 Br4 O12 S4 -","4","1","","Xiao, Guolan; Ma, Chaoqun; Wu, Xiang; Xing, Dong; Hu, Wenhao","Synthesis of γ-Sulfur-Substituted Ketones via Rh(II)/Sc(III) a Cocatalyzed Three-Component Reaction of Diazo Compounds with Thiophenols and Enones.","The Journal of organic chemistry","2018","83","8","4786","4791","10.1021/acs.joc.7b03074","","","0.71073","MoKα","","0.0421","0.0343","","","0.0842","0.0884","","","","","","1.027","","","","has coordinates","226429","2020-10-21","18:00:00",""
"4034915","10.6723","0.0008","15.0547","0.001","8.1047","0.0005","90","","90","","90","","1302.17","0.15","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Lee, Heejin; Lee, Jae Kyun; Min, Sun-Joon; Seo, Hyeonglim; Lee, Youngbok; Rhee, Hakjune","Copper(I)-Catalyzed Synthesis of 1,4-Disubstituted 1,2,3-Triazoles from Azidoformates and Aryl Terminal Alkynes.","The Journal of organic chemistry","2018","83","8","4805","4811","10.1021/acs.joc.8b00022","","","0.71075","MoKα","","0.0394","0.0299","","","0.0714","0.0759","","","","","","1.015","","","","has coordinates","226430","2020-10-21","18:00:00",""
"4034916","5.8015","0.0009","7.985","0.0012","22.001","0.003","90","","90","","90","","1019.2","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.044","0.0404","","","0.097","0.0989","","","","","","1.0645","","","","has coordinates","226431","2020-10-21","18:00:00",""
"4034917","8.255","0.0004","8.7337","0.0004","15.3572","0.0007","90","","104.438","0.001","90","","1072.24","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0385","0.0331","","","0.088","0.0921","","","","","","1.028","","","","has coordinates","226432","2020-10-21","18:00:00",""
"4034918","8.1003","0.0016","9.038","0.002","12.516","0.004","100.87","0.02","106.9","0.02","93.36","0.02","854.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C34 H42 N2 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","1.54184","CuKα","","0.0715","0.0475","","","0.114","0.129","","","","","","1.033","","","","has coordinates","226433","2020-10-21","18:00:00",""
"4034919","7.9354","0.0005","16.2482","0.0011","10.2188","0.0007","90","","92.368","0.001","90","","1316.45","0.15","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C48 H72 O28 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0524","0.0418","","","0.1061","0.1132","","","","","","1.026","","","","has coordinates","226434","2020-10-21","18:00:00",""
"4034920","8.7888","0.0005","9.4369","0.0005","9.6073","0.0005","65.552","0.001","70.103","0.001","79.802","0.001","681.46","0.06","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O7 -","- C12 H18 O7 -","- C24 H36 O14 -","2","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.0476","0.0382","","","0.0998","0.1069","","","","","","1.035","","","","has coordinates","226435","2020-10-21","18:00:00",""
"4034921","6.94","0.0002","9.9344","0.0002","13.3649","0.0003","103.329","0.0013","90.5132","0.0013","109.293","0.0012","842.62","0.04","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C42 H38 N6 O2 -","2","1","","Jeong, Taejoo; Lee, Suk Hun; Chun, Rina; Han, Sangil; Han, Sang Hoon; Jeon, Yeong Uk; Park, Jihye; Yoshimitsu, Takehiko; Mishra, Neeraj Kumar; Kim, In Su","Ru(II)-Catalyzed C-H Aminocarbonylation of N-(Hetero)aryl-7-azaindoles with Isocyanates.","The Journal of organic chemistry","2018","83","8","4641","4649","10.1021/acs.joc.8b00388","","","0.71073","MoKα","","0.0641","0.0456","","","0.1088","0.1208","","","","","","1.039","","","","has coordinates","226436","2020-10-21","18:00:00",""
"4034922","12.9868","0.0002","7.0511","0.0001","27.6722","0.0003","90","","94.403","0.001","90","","2526.5","0.06","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O3 -","- C28 H29 N5 O3 -","- C112 H116 N20 O12 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","1.54178","CuKα","","0.0437","0.0402","","","0.1112","0.1146","","","","","","1.043","","","","has coordinates","226437","2020-10-21","18:00:00",""
"4034923","10.6757","0.0019","9.8486","0.0017","27.386","0.005","90","","90","","90","","2879.4","0.9","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C120 H128 N16 O24 -","8","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0663","0.0416","","","0.0942","0.1061","","","","","","1.056","","","","has coordinates","226438","2020-10-21","18:00:00",""
"4034924","7.3701","0.0009","9.5761","0.0012","16.635","0.002","100.276","0.002","91.347","0.002","102.839","0.002","1123.9","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","2","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0576","0.0427","","","0.1094","0.1193","","","","","","1.017","","","","has coordinates","226439","2020-10-21","18:00:00",""
"4034925","11.894","0.0019","7.2711","0.0011","22.184","0.003","90","","102.61","0.002","90","","1872.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SY-2-55-1","","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0871","0.0461","","","0.1049","0.1231","","","","","","1.003","","","","has coordinates","226440","2020-10-21","18:00:00",""
"4034926","5.0802","0.0005","17.971","0.002","10.991","0.0011","90","","90.471","0.011","90","","1003.4","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0435","0.0365","","","0.0838","0.0879","","","","","","1.038","","","","has coordinates","226441","2020-10-21","18:00:00",""
"4034927","7.1401","0.0016","9.047","0.002","12.314","0.003","103.183","0.003","106.298","0.003","97.522","0.003","727","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C32 H36 N4 O6 -","2","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0815","0.0449","","","0.0965","0.1122","","","","","","1.026","","","","has coordinates","226442","2020-10-21","18:00:00",""
"4034928","11.3381","0.0006","7.2556","0.0004","26.5552","0.0015","90","","102.097","0.001","90","","2136","0.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O4 -","- C23 H26 N4 O4 -","- C92 H104 N16 O16 -","4","1","","Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya","Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings.","The Journal of organic chemistry","2018","83","8","4606","4617","10.1021/acs.joc.8b00349","","","0.71073","MoKα","","0.0527","0.0427","","","0.1116","0.1179","","","","","","1.046","","","","has coordinates","226443","2020-10-21","18:00:00",""
"4034929","7.839","0.0012","10.1239","0.001","13.0356","0.0012","67.583","0.009","83.056","0.01","72.226","0.011","910.7","0.2","293.18","0.11","293.18","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 F3 N2 O2 -","- C20 H19 F3 N2 O2 -","- C40 H38 F6 N4 O4 -","2","1","","Chang, Bingbing; Su, Yingpeng; Huang, Danfeng; Wang, Ke-Hu; Zhang, Weigang; Shi, Ya; Zhang, Xinghu; Hu, Yulai","Synthesis of Trifluoroethyl Pyrazolines via Trichloroisocyanuric Acid Promoted Cascade Cyclization/Trifluoromethylation of β,γ-Unsaturated Hydrazones.","The Journal of organic chemistry","2018","83","8","4365","4374","10.1021/acs.joc.8b00009","","x-ray","0.71073","MoKα","","0.123","0.0714","","","0.1848","0.2015","","","","","","0.884","","","","has coordinates","226444","2020-10-21","18:00:00",""
"4034930","5.7958","0.00006","14.35143","0.00015","43.7743","0.0005","90","","90","","90","","3641.06","0.07","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H29 N O5 -","- C18 H29 N O5 -","- C144 H232 N8 O40 -","8","1","","Matías, Desirée M; Johnson, Jeffrey S.","Synthesis and Desymmetrization of meso Tricyclic Systems Derived from Benzene Oxide.","The Journal of organic chemistry","2018","83","8","4859","4866","10.1021/acs.joc.8b00523","","","1.54178","CuKα","","0.0638","0.0491","","","0.1242","0.1336","","","","","","1.057","","","","has coordinates","226445","2020-10-21","18:00:00",""
"4034931","6.3061","0.0016","12","0.003","30.47","0.008","90","","90","","90","","2305.8","1","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br N2 O6 S -","- C24 H17 Br N2 O6 S -","- C96 H68 Br4 N8 O24 S4 -","4","1","","Wang, Jiao-Jiao; Yang, Hui; Gou, Bo-Bo; Zhou, Ling; Chen, Jie","Enantioselective Organocatalytic Sulfenylation of β-Naphthols.","The Journal of organic chemistry","2018","83","8","4730","4738","10.1021/acs.joc.8b00487","","","0.71073","MoKα","","0.0892","0.0459","","","0.0871","0.1017","","","","","","0.987","","","","has coordinates","226446","2020-10-21","18:00:00",""
"4034932","5.6098","0.0004","9.7873","0.001","18.627","0.0015","90","","90.672","0.006","90","","1022.64","0.15","290.92","0.1","290.92","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C48 H48 O4 S2 -","2","1","","Zhou, Ping-Xin; Zhang, Yalei; Ge, Chunbo; Liang, Yong-Min; Li, Changzheng","Palladium-Catalyzed Carbene Migratory Insertion and Trapping with Sulfinic Acid Salts toward Allylic Sulfones.","The Journal of organic chemistry","2018","83","8","4762","4768","10.1021/acs.joc.8b00615","","","0.71073","MoKα","","0.0986","0.0574","","","0.101","0.1212","","","","","","0.999","","","","has coordinates","226447","2020-10-21","18:00:00",""
"4034933","7.702","0.003","10.567","0.004","11.247","0.005","75.351","0.014","75.327","0.012","73.555","0.013","832.9","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C42 H32 O10 -","2","1","","Jana, Supriti; Mal, Dipakranjan","Anionic Annulation of 3-Cyanophthalides with Allene Carboxylates: A Carbon-Conserved Synthesis of Naphtho[ b]furanones.","The Journal of organic chemistry","2018","83","8","4537","4544","10.1021/acs.joc.8b00272","","x-ray","0.71073","MoKα","","0.1819","0.084","","","0.2024","0.2806","","","","","","0.94","","","","has coordinates,has disorder","226448","2020-10-21","18:00:00",""
"4034934","9.9497","0.0007","23.346","0.0012","10.337","0.0008","90","","117.278","0.009","90","","2134.1","0.3","293.4","0.3","293.4","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 O -","- C28 H26 O -","- C112 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.08","0.0673","","","0.1687","0.1842","","","","","","1.064","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034935","9.5076","0.0006","10.1735","0.0007","11.0649","0.0006","100.526","0.005","108.648","0.005","114.007","0.006","863.75","0.12","294.5","0.5","294.5","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0686","0.0627","","","0.1573","0.1674","","","","","","1.043","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034936","9.90789","0.00018","19.4213","0.0004","11.7413","0.0002","90","","90.2212","0.0017","90","","2259.29","0.07","296.31","0.1","296.31","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Cl -","- C31 H25 Cl -","- C124 H100 Cl4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0738","0.0706","","","0.2044","0.2083","","","","","","1.044","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034937","11.1052","0.0004","10.7198","0.0004","17.6163","0.0006","90","","104.009","0.004","90","","2034.77","0.13","294.2","0.4","294.2","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O S -","- C26 H24 O S -","- C104 H96 O4 S4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0719","0.0635","","","0.1804","0.1916","","","","","","1.027","","","","has coordinates,has disorder","226449","2020-10-21","18:00:00",""
"4034938","8.8859","0.0006","9.9045","0.0006","11.8557","0.0006","99.769","0.004","96.19","0.005","109.258","0.006","955.59","0.11","294.24","0.1","294.24","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C26 H25 O -","- C52 H50 O2 -","2","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0678","0.063","","","0.1832","0.189","","","","","","1.048","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034939","11.6446","0.0004","7.3696","0.0002","23.0316","0.0008","90","","94.897","0.003","90","","1969.27","0.11","294.05","0.1","294.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O -","- C26 H26 O -","- C104 H104 O4 -","4","1","","Hao, Tao-Tao; Liang, Hao-Ran; Ou-Yang, Ying-Han; Yin, Chang-Zhen; Zheng, Xue-Li; Yuan, Mao-Lin; Li, Rui-Xiang; Fu, Hai-Yan; Chen, Hua","Palladium-Catalyzed Domino Reaction for Stereoselective Synthesis of Multisubstituted Olefins: Construction of Blue Luminogens.","The Journal of organic chemistry","2018","83","8","4441","4454","10.1021/acs.joc.8b00150","","x-ray","1.54184","CuKα","","0.0695","0.0635","","","0.1632","0.1712","","","","","","1.027","","","","has coordinates","226449","2020-10-21","18:00:00",""
"4034940","10.5874","0.0004","15.9992","0.0006","16.6716","0.0006","112.501","0.0016","91.7686","0.0018","99.8707","0.0018","2555.93","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Br F O -","- C22 H14 Br F O -","- C132 H84 Br6 F6 O6 -","6","3","","Saha, Rajib; Arunprasath, Dhanarajan; Sekar, Govindasamy","Phosphine-Free and Reusable Palladium Nanoparticles-Catalyzed Domino Strategy: Synthesis of Indanone Derivatives.","The Journal of organic chemistry","2018","83","8","4692","4702","10.1021/acs.joc.8b00463","","","0.71073","MoKα","","0.0948","0.0365","","","0.0699","0.0831","","","","","","0.979","","","","has coordinates","226450","2020-10-21","18:00:00",""
"4034941","17.94","0.0006","17.94","0.0006","8.4256","0.0004","90","","90","","120","","2348.42","0.16","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C114 H108 O18 S6 -","6","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","1.54178","CuKα","","0.0475","0.0377","","","0.0851","0.0894","","","","","","1.057","","","","has coordinates","226451","2020-10-21","18:00:00",""
"4034942","11.2915","0.0005","7.6426","0.0002","37.0847","0.0016","90","","90","","90","","3200.3","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.2057","0.1116","","","0.1908","0.2266","","","","","","1.114","","","","has coordinates","226452","2020-10-21","18:00:00",""
"4034943","8.1274","0.0003","17.4435","0.0007","8.9072","0.0004","90","","103.903","0.001","90","","1225.78","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 S -","- C14 H16 O4 S -","- C56 H64 O16 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0547","0.0408","","","0.1018","0.1094","","","","","","1.051","","","","has coordinates","226453","2020-10-21","18:00:00",""
"4034944","8.6858","0.0001","25.2666","0.0004","8.42","0.0001","90","","93.074","0.001","90","","1845.2","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 S -","- C23 H19 N3 O2 S -","- C92 H76 N12 O8 S4 -","4","1","","Castanheiro, Thomas; Schoenfelder, Angèle; Donnard, Morgan; Chataigner, Isabelle; Gulea, Mihaela","Synthesis of Sulfur-Containing Exo-Bicyclic Dienes and Their Diels-Alder Reactions To Access Thiacycle-Fused Polycyclic Systems.","The Journal of organic chemistry","2018","83","8","4505","4515","10.1021/acs.joc.8b00213","","","0.71073","MoKα","","0.0542","0.0433","","","0.1183","0.1367","","","","","","1.118","","","","has coordinates","226454","2020-10-21","18:00:00",""
"4034945","8.299","0.003","10.924","0.004","14.783","0.005","90","","98.016","0.008","90","","1327.1","0.8","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Ni, Jiabin; Xue, Yu; Sun, Liping; Zhang, Ao","Cu-Mediated Sulfonyl Radical-Enabled 5- exo-trig Cyclization of Alkenyl Aldehydes: Access to Sulfonylmethyl 1 H-Indenes.","The Journal of organic chemistry","2018","83","8","4598","4605","10.1021/acs.joc.8b00341","","","0.71073","MoKα","","0.0562","0.0466","","","0.1361","0.1457","","","","","","1.071","","","","has coordinates","226455","2020-10-21","18:00:00",""
"4034946","10.023","0.0003","10.6673","0.0003","19.6393","0.0006","92.89","0.002","93.94","0.002","110.439","0.003","1956.73","0.11","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.071","0.051","","","0.1177","0.1255","","","","","","1.031","","","","has coordinates","226456","2020-10-21","18:00:00",""
"4034947","9.4315","0.0002","9.5202","0.0002","21.4109","0.0006","90","","98.443","0.003","90","","1901.64","0.08","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C80 H104 N8 O12 S4 -","4","2","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","1.54184","CuKα","","0.0902","0.063","","","0.1621","0.1888","","","","","","1.138","","","","has coordinates","226457","2020-10-21","18:00:00",""
"4034948","9.7341","0.0003","10.0802","0.0005","10.7645","0.0004","108.03","0.004","96.352","0.003","102.318","0.003","963.34","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C40 H52 N4 O6 S2 -","2","1","","Shugrue, Christopher R.; Featherston, Aaron L.; Lackner, Rachel M.; Lin, Angela; Miller, Scott J.","Divergent Stereoselectivity in Phosphothreonine (pThr)-Catalyzed Reductive Aminations of 3-Amidocyclohexanones.","The Journal of organic chemistry","2018","83","8","4491","4504","10.1021/acs.joc.8b00207","","","0.71073","MoKα","","0.04","0.0334","","","0.0854","0.0886","","","","","","1.029","","","","has coordinates","226458","2020-10-21","18:00:00",""
"4034949","32.259","0.006","7.365","0.002","6.107","0.002","90","","90","","90","","1450.9","0.7","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71076","MoKα","","0.03","0.0292","","","0.075","0.0755","","","","","","1.073","","","","has coordinates","226459","2020-10-21","18:00:00",""
"4034950","17.002","0.004","6.3616","0.0011","13.302","0.003","90","","93.621","0.007","90","","1435.9","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Taimoory, S. Maryamdokht; Sadraei, S. Iraj; Fayoumi, Rose Anne; Nasri, Sarah; Revington, Matthew; Trant, John F.","Preparation and Characterization of a Small Library of Thermally-Labile End-Caps for Variable-Temperature Triggering of Self-Immolative Polymers.","The Journal of organic chemistry","2018","83","8","4427","4440","10.1021/acs.joc.8b00135","","","0.71073","MoKα","","0.0667","0.0484","","","0.1082","0.119","","","","","","1.117","","","","has coordinates","226460","2020-10-21","18:00:00",""
"4034951","9.377","0.002","16.459","0.004","10.573","0.003","90","","105.379","0.006","90","","1573.4","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-benzyl-4-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-1H-1,2,3-triazole","","- C19 H17 N5 -","- C19 H17 N5 -","- C76 H68 N20 -","4","1","","Niesobski, Patrik; Klukas, Fabian; Berens, Henning; Makhloufi, Gamall; Janiak, Christoph; Müller, Thomas J J","De Novo Ring-Forming Consecutive Four-Component Syntheses of 4-Pyrazolyl-1,2,3-triazoles from (Triisopropylsilyl)butadiyne as a C4 Building Block.","The Journal of organic chemistry","2018","83","8","4851","4858","10.1021/acs.joc.8b00430","","","0.71073","MoKα","","0.0756","0.0453","","","0.1045","0.1204","","","","","","1.025","","","","has coordinates","226461","2020-10-21","18:00:00",""
"4034952","4.8158","0.0001","8.056","0.0002","14.36","0.0004","100.15","0.001","90.87","0.001","97.297","0.001","543.55","0.02","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F N2 O -","- C15 H9 F N2 O -","- C30 H18 F2 N4 O2 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.034","0.0318","","","0.0925","0.0946","","","","","","1.077","","","","has coordinates","226462","2020-10-21","18:00:00",""
"4034953","8.3599","0.0004","9.3828","0.0004","12.7708","0.0006","78.609","0.002","87.494","0.002","76.577","0.002","955.17","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl3 N2 O3 -","- C19 H19 Cl3 N2 O3 -","- C38 H38 Cl6 N4 O6 -","2","1","","Yuan, Yao; Dong, Wuheng; Gao, Xiaoshuang; Gao, Huang; Xie, Xiaomin; Zhang, Zhaoguo","Visible-Light-Induced Radical Cascade Cyclization: Synthesis of the ABCD Ring Cores of Camptothecins.","The Journal of organic chemistry","2018","83","5","2840","2846","10.1021/acs.joc.7b03283","","","1.54178","CuKα","","0.0413","0.0391","","","0.1035","0.1054","","","","","","1.035","","","","has coordinates","226463","2020-10-21","18:00:00",""
"4034954","8.351","0.002","10.255","0.003","18.062","0.006","90","","98.302","0.003","90","","1530.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O3 -","- C18 H14 Br N O3 -","- C72 H56 Br4 N4 O12 -","4","1","","Song, Zhi-Yong; Chen, Kun-Quan; Chen, Xiang-Yu; Ye, Song","Diastereo- and Enantioselective Synthesis of Spirooxindoles with Contiguous Tetrasubstituted Stereocenters via Catalytic Coupling of Two Tertiary Radicals.","The Journal of organic chemistry","2018","83","5","2966","2970","10.1021/acs.joc.7b03161","","","0.71073","MoKα","","0.0542","0.0464","","","0.0818","0.0848","","","","","","1.135","","","","has coordinates","226464","2020-10-21","18:00:00",""
"4034955","9.305","0.0003","13.974","0.0003","12.0297","0.0004","90","","108.745","0.004","90","","1481.23","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 F S -","- C19 H17 F S -","- C76 H68 F4 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0425","0.0372","","","0.0964","0.1014","","","","","","1.055","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034956","14.7863","0.0003","7.78776","0.00018","23.6336","0.0004","90","","90.3536","0.0018","90","","2721.41","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Co2 O9 S -","- C29 H18 Co2 O9 S -","- C116 H72 Co8 O36 S4 -","4","1","","Lyapunova, Anna G.; Danilkina, Natalia A.; Rumyantsev, Andrey M.; Khlebnikov, A. F.; Chislov, Mikhail V.; Starova, Galina L.; Sambuk, Elena V.; Govdi, Anastasia I.; Bräse, Stefan; Balova, Irina A.","Relative Reactivity of Benzothiophene-Fused Enediynes in the Bergman Cyclization.","The Journal of organic chemistry","2018","83","5","2788","2801","10.1021/acs.joc.7b03258","","x-ray","1.54184","CuKα","","0.0734","0.0544","","","0.0914","0.1014","","","","","","1.108","","","","has coordinates","226465","2020-10-21","18:00:00",""
"4034957","14.1119","0.0017","9.9385","0.0011","17.9114","0.0019","90","","110.798","0.003","90","","2348.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 F3 N O4 S -","- C25 H22 F3 N O4 S -","- C100 H88 F12 N4 O16 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0551","0.0478","","","0.1359","0.1432","","","","","","1.079","","","","has coordinates","226466","2020-10-21","18:00:00",""
"4034958","13.3366","0.0012","14.4419","0.0013","11.0444","0.001","90","","104.124","0.003","90","","2062.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F3 N O3 S -","- C23 H20 F3 N O3 S -","- C92 H80 F12 N4 O12 S4 -","4","1","","Wang, Quande; Tsui, Gavin Chit","Copper-Mediated Domino Cyclization/Trifluoromethylation of Propargylic N-Hydroxylamines: Synthesis of 4-Trifluoromethyl-4-isoxazolines.","The Journal of organic chemistry","2018","83","5","2971","2979","10.1021/acs.joc.7b03191","","","0.71073","MoKα","","0.0438","0.0401","","","0.1066","0.1104","","","","","","1.043","","","","has coordinates","226467","2020-10-21","18:00:00",""
"4034959","11.3996","0.0013","7.4707","0.0008","31.868","0.004","90","","90.613","0.003","90","","2713.8","0.5","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","2","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.112","0.0769","","","0.1498","0.1678","","","","","","1.083","","","","has coordinates,has disorder","226468","2020-10-21","18:00:00",""
"4034960","14.271","0.006","7.176","0.003","17.155","0.007","90","","103.984","0.01","90","","1704.8","1.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H56 O6 -","- C36 H56 O6 -","- C72 H112 O12 -","2","1","","Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao","Synthesis of Δ<sup>20</sup>-Ginsenosides Rh<sub>4</sub>, (20E)-Rh<sub>3</sub>, Rg<sub>6</sub>, and Rk<sub>1</sub>: A General Approach To Access Dehydrated Ginsenosides.","The Journal of organic chemistry","2018","83","5","2601","2610","10.1021/acs.joc.7b02987","","","0.71073","MoKα","","0.1299","0.0701","","","0.1675","0.198","","","","","","1.002","","","","has coordinates","226469","2020-10-21","18:00:00",""
"4034961","9.5027","0.0007","10.5139","0.0007","11.4874","0.0008","74.736","0.006","66.148","0.006","81.699","0.006","1011.72","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","- C32 H66 N8 O6 S -","1","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.0482","0.048","","","0.1357","0.1359","","","","","","1.079","","","","has coordinates","226470","2020-10-21","18:00:00",""
"4034962","9.6558","0.0019","20.213","0.004","14.022","0.003","90","","97.03","0.03","90","","2716.1","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H82 N12 O7 S -","- C41 H82 N12 O7 S -","- C82 H164 N24 O14 S2 -","2","1","","Pulka-Ziach, Karolina; Antunes, Stéphanie; Perdriau, Camille; Kauffmann, Brice; Pasco, Morgane; Douat, Céline; Guichard, Gilles","Postelongation Strategy for the Introduction of Guanidinium Units in the Main Chain of Helical Oligourea Foldamers.","The Journal of organic chemistry","2018","83","5","2530","2541","10.1021/acs.joc.7b01895","","","1.54178","CuKα","","0.1003","0.0773","","","0.1939","0.2352","","","","","","1.07","","","","has coordinates","226471","2020-10-21","18:00:00",""
"4034963","9.4793","0.0002","12.6384","0.0003","13.2202","0.0004","98.616","0.002","92.833","0.002","107.212","0.001","1488.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O3 -","- C34 H31 N3 O3 -","- C68 H62 N6 O6 -","2","1","","Xia, Peng-Ju; Li, Jun; Qian, Yu-Lun; Zhao, Qing-Lan; Xiang, Hao-Yue; Xiao, Jun-An; Chen, Xiao-Qing; Yang, Hua","Solvent-Minimized, Chromatography-Free, Diastereoselective Synthesis of Oxazolidine-Dispirooxindoles via oxa-1,3-Dipolar Cycloaddition of 3-Oxindole.","The Journal of organic chemistry","2018","83","5","2948","2953","10.1021/acs.joc.7b02865","","","0.71073","MoKα","","0.0984","0.0813","","","0.2586","0.2718","","","","","","1.063","","","","has coordinates","226472","2020-10-21","18:00:00",""
"4034964","12.9684","0.0005","11.4288","0.0003","19.9239","0.0007","90","","107.76","0.004","90","","2812.25","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O6 S -","- C28 H26 N2 O6 S -","- C112 H104 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1029","0.0896","","","0.2638","0.2814","","","","","","1.05","","","","has coordinates","226473","2020-10-21","18:00:00",""
"4034965","9.1196","0.0007","10.5626","0.0007","25.628","0.004","87.5","0.009","89.642","0.009","81.926","0.006","2441.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N4 O12 S2 -","- C56 H48 N4 O12 S2 -","- C112 H96 N8 O24 S4 -","2","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.074","0.0557","","","0.1403","0.1534","","","","","","1.083","","","","has coordinates","226474","2020-10-21","18:00:00",""
"4034966","10.0845","0.0004","12.6277","0.0005","18.9223","0.0006","90","","104.925","0.004","90","","2328.35","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O6 S -","- C25 H22 N2 O6 S -","- C100 H88 N8 O24 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1324","0.0679","","","0.1518","0.1899","","","","","","1.03","","","","has coordinates","226475","2020-10-21","18:00:00",""
"4034967","12.3588","0.0005","10.2111","0.0004","21.733","0.0009","90","","90.322","0.003","90","","2742.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O7 S -","- C29 H26 N2 O7 S -","- C116 H104 N8 O28 S4 -","4","1","","Arupula, Sanjeeva K.; Guin, Soumitra; Yadav, Anubha; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective Synthesis of 3,3-Disubstituted Oxindoles and Spirooxindoles via Allylic Alkylation of Morita-Baylis-Hillman Carbonates of Isatins with Cyclic Sulfamidate Imines Catalyzed by DABCO.","The Journal of organic chemistry","2018","83","5","2660","2675","10.1021/acs.joc.7b03090","","","0.71073","MoKα","","0.1028","0.0583","","","0.1336","0.1605","","","","","","1.029","","","","has coordinates","226476","2020-10-21","18:00:00",""
"4034968","10.1854","0.0001","7.0105","0.0001","31.6018","0.0003","90","","90","","90","","2256.52","0.04","160","2","160","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-chloro-5-methoxy-1-methyl-4-phenyl-1,5-dihydro-2H-pyrrol-2-one","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C96 H96 Cl8 N8 O16 -","8","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0698","0.0395","","","0.0964","0.1095","","","","","","1.036","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034969","10.2094","0.0002","14.5436","0.0002","7.83158","0.00019","90","","109.471","0.002","90","","1096.34","0.04","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-chloro-5-methoxy-1-methyl-4-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one","","- C10 H10 Cl N O2 S -","- C10 H10 Cl N O2 S -","- C40 H40 Cl4 N4 O8 S4 -","4","1","","Samper Barceló, Víctor; Bienz, Stefan","Synthesis of Highly Substituted 3-Pyrrolin-2-ones from N,N-Disubstituted α-Amino Acids.","The Journal of organic chemistry","2018","83","5","2734","2743","10.1021/acs.joc.7b03187","","","0.71073","MoKα","","0.0372","0.0319","","","0.0788","0.0834","","","","","","1.042","","","","has coordinates","226477","2020-10-21","18:00:00",""
"4034970","10.0685","0.0001","20.8846","0.0001","12.218","0.0001","90","","103.307","0.001","90","","2500.18","0.04","294.15","","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H34 O4 -","- C28 H34 O4 -","- C112 H136 O16 -","4","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0353","0.0349","","","0.1055","0.106","","","","","","1.075","","","","has coordinates","226478","2020-10-21","18:00:00",""
"4034971","11.1371","0.0001","17.0065","0.0002","30.3267","0.0003","90","","90","","90","","5743.97","0.1","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C264 H288 O32 -","8","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0962","0.0971","","","","","","1.049","","","","has coordinates","226479","2020-10-21","18:00:00",""
"4034972","10.5343","0.0001","11.3666","0.0001","23.7867","0.0002","90","","90","","90","","2848.2","0.04","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C132 H144 O16 -","4","1","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.038","0.0369","","","0.1041","0.1055","","","","","","1.027","","","","has coordinates","226480","2020-10-21","18:00:00",""
"4034973","8.006","0.0002","16.9875","0.0005","22.5448","0.0007","90","","90","","90","","3066.14","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0342","0.0338","","","0.0906","0.091","","","","","","1.05","","","","has coordinates","226481","2020-10-21","18:00:00",""
"4034974","12.4728","0.0004","13.9162","0.0004","17.2735","0.0005","90","","90","","90","","2998.23","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0286","0.0285","","","0.0723","0.0723","","","","","","1.045","","","","has coordinates","226482","2020-10-21","18:00:00",""
"4034975","22.0462","0.001","22.0462","0.001","12.8478","0.0012","90","","90","","90","","6244.5","0.7","301","2","301","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C13 H14 F3 N3 O3 -","- C13 H14 F3 N3 O3 -","- C208 H224 F48 N48 O48 -","16","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.1071","0.0714","","","0.1619","0.1775","","","","","","1.07","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034976","8.1147","0.0009","5.5748","0.0006","32.002","0.004","90","","97.317","0.007","90","","1435.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N3 -","- C16 H12 F3 N3 -","- C64 H48 F12 N12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Zhang, Chunxia; Li, Dong; Sun, Puhua; Li, Jianzhe; Wang, Huan; Liu, Jianhui; Qu, Jingping","Base-Controlled Regiodivergent Azidation of Trifluoromethyl Alkenyl Triflates: Transition-Metal-Free Access to CF<sub>3</sub>-Containing Allyl Azides and Alkenyl Azides.","The Journal of organic chemistry","2018","83","5","2858","2868","10.1021/acs.joc.7b03294","","","0.71073","MoKα","","0.066","0.0487","","","0.126","0.1388","","","","","","1.014","","","","has coordinates","226483","2020-10-21","18:00:00",""
"4034977","23.4903","0.001","6.4729","0.0003","14.3144","0.0007","90","","103.237","0.003","90","","2118.68","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2S,3R)-4-(benzoyloxy)-2-cyano- 2-ethyl-3-methylpent-4-en-1-yl 4-nitrobenzoate","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Pitta, Bhaskar R.; Steward, Omar W.; Fleming, Fraser F.","Electrophile-Dependent Alkylations of Lithiated 4-Alkoxyalk-4-enenitriles.","The Journal of organic chemistry","2018","83","5","2753","2762","10.1021/acs.joc.7b03205","","","0.71073","MoKα","","0.0453","0.0323","","","0.1052","0.1322","","","","","","1.432","","","","has coordinates","226484","2020-10-21","18:00:00",""
"4034978","11.4274","0.0009","21.057","0.0014","20.4912","0.0015","90","","101.302","0.004","90","","4835.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cs N9 O4 -","- C52 H58 Cs N9 O4 -","- C208 H232 Cs4 N36 O16 -","4","1","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0609","0.046","","","0.1165","0.1257","","","","","","1.141","","","","has coordinates","226485","2020-10-21","18:00:00",""
"4034979","17.237","0.004","12.996","0.002","16.538","0.003","90","","90","","90","","3704.7","1.2","233","2","233","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38 H45 Cs N8 O4 -","- C38 H45 Cs N8 O4 -","- C152 H180 Cs4 N32 O16 -","4","0.5","","Kim, Seung Hyeon; Lee, Juhoon; Vargas-Zúñiga, Gabriela I; Lynch, Vincent M.; Hay, Benjamin P.; Sessler, Jonathan L.; Kim, Sung Kuk","Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.","The Journal of organic chemistry","2018","83","5","2686","2693","10.1021/acs.joc.7b03135","","","0.71075","MoKα","","0.0185","0.018","","","0.0477","0.048","","","","","","0.996","","","","has coordinates,has disorder","226486","2020-10-21","18:00:00",""
"4034980","11.082","0.004","11.456","0.004","11.777","0.004","92.038","0.019","110.429","0.019","118.082","0.016","1199.5","0.8","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","spiro[fluorene-9,15'-indeno[2,1-g]chrysene]","","- C37 H22 -","- C37 H22 -","- C74 H44 -","2","1","","Lee, Hayoon; Jung, Hyocheol; Kang, Seokwoo; Heo, Jin Hyuck; Im, Sang Hyuk; Park, Jongwook","Three-Dimensional Structures Based on the Fusion of Chrysene and Spirobifluorene Chromophores for the Development of Blue OLEDs.","The Journal of organic chemistry","2018","83","5","2640","2646","10.1021/acs.joc.7b03008","","","0.71073","MoKα","","0.0662","0.0514","","","0.13","0.1432","","","","","","1.055","","","","has coordinates","226487","2020-10-21","18:00:00",""
"4034981","7.489","0.004","11.278","0.005","19.529","0.009","80.568","0.007","88.97","0.007","79.02","0.007","1597.2","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N3 O -","- C20 H14 Cl N3 O -","- C80 H56 Cl4 N12 O4 -","4","2","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0465","0.0366","","","0.1044","0.1126","","","","","","1.038","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4034982","7.4255","0.0014","9.3666","0.0017","22.949","0.004","90","","94.428","0.003","90","","1591.4","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C84 H68 N12 O4 -","4","1","","Kong, Xiang-Fei; Zhan, Feng; He, Guo-Xue; Pan, Cheng-Xue; Gu, Chen-Xi; Lu, Ke; Mo, Dong-Liang; Su, Gui-Fa","Gold-Catalyzed Selective 6-exo-dig and 7-endo-dig Cyclizations of Alkyn-Tethered Indoles To Prepare Rutaecarpine Derivatives.","The Journal of organic chemistry","2018","83","4","2006","2017","10.1021/acs.joc.7b02956","","","0.71073","MoKα","","0.0514","0.0453","","","0.1217","0.1284","","","","","","1.045","","","","has coordinates","226489","2020-10-21","18:00:00",""
"4034983","5.6914","0.0009","7.7326","0.0012","33.904","0.005","90","","90","","90","","1492.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0381","0.0373","","","0.0986","0.0993","","","","","","1.135","","","","has coordinates","226490","2020-10-21","18:00:00",""
"4034984","8.2267","0.0015","12.296","0.002","13.654","0.003","90","","105.69","0.003","90","","1329.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0768","0.0456","","","0.106","0.1195","","","","","","1.165","","","","has coordinates","226491","2020-10-21","18:00:00",""
"4034985","7.4487","0.0002","9.8574","0.0003","11.7142","0.0004","94.801","0.003","95.419","0.003","108.835","0.003","804.44","0.05","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu N2 O S -","- C14 H14 Cl2 Cu N2 O S -","- C28 H28 Cl4 Cu2 N4 O2 S2 -","2","1","","Jiang, Sheng-Peng; Lu, Wen-Qiang; Liu, Zhan; Wang, Guan-Wu","Synthesis of Fullerotetrahydroquinolines via [4 + 2] Cycloaddition Reaction of [60]Fullerene with in Situ Generated Aza-o-quinone Methides.","The Journal of organic chemistry","2018","83","4","1959","1968","10.1021/acs.joc.7b02897","","","1.54184","CuKα","","0.0426","0.0418","","","0.1153","0.1165","","","","","","1.068","","","","has coordinates","226492","2020-10-21","18:00:00",""
"4034986","9.6198","0.0007","11.0172","0.0008","14.7869","0.0014","91.878","0.003","98.532","0.004","108.847","0.003","1461.3","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 N O Te -","- C18 H13 N O Te -","- C72 H52 N4 O4 Te4 -","4","2","","Nagahora, Noriyoshi; Yahata, Shuhei; Goto, Shoko; Shioji, Kosei; Okuma, Kentaro","2,5-Diaryltellurophenes: Effect of Electron-Donating and Electron-Withdrawing Groups on their Optoelectronic Properties.","The Journal of organic chemistry","2018","83","4","1969","1975","10.1021/acs.joc.7b02906","","","0.71075","MoKα","","0.0918","0.0782","","","0.1483","0.1553","","","","","","1.258","","","","has coordinates","226493","2020-10-21","18:00:00",""
"4034987","7.2443","0.0004","21.6508","0.0013","31.7616","0.0019","90","","90","","90","","4981.6","0.5","296","","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","DiMeMonoPhIndenotetracene","2-methyl-10-phenyl-9-(p-tolyl)indeno[1,2,3-fg]tetracene","","- C38 H26 -","- C37.791 H27.261 -","- C302.328 H218.088 -","8","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","0.71073","MoKα","","0.0919","0.0516","","","0.1385","0.1734","","","","","","1.055","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034988","15.943","","20.012","","7.763","","90","","111.7","","90","","2301.27","","122","2","122","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiFMonoPhIndenotetracene","2-fluoro-9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H20 F2 -","- C36 H20 F2 -","- C144 H80 F8 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.042","0.0395","","","0.108","0.111","","","","","","1.06","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034989","12.007","0.006","16.605","0.005","27.729","0.007","90","","92.29","0.03","90","","5524","4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiCF3MonoPhIndenoTetracene","10-phenyl-2-(trifluoromethyl)-9-(4-(trifluoromethyl)phenyl)indeno[1,2,3-fg]tetracene","","- C38 H20 F6 -","- C38 H20 F6 -","- C304 H160 F48 -","8","2","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1208","0.0704","","","0.148","0.1752","","","","","","1.015","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034990","11.152","0.002","19.822","0.003","11.343","0.002","90","","93.755","0.014","90","","2502","0.7","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DiMethoxyMonoPhIndenotetracene","2-methoxy-9-(4-methoxyphenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.1519","0.087","","","0.2168","0.2609","","","","","","1.07","","","","has coordinates","226494","2020-10-21","18:00:00",""
"4034991","15.9","0.03","19.904","0.014","7.73","0.013","90","","112.49","0.1","90","","2260","6","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DiPhMonoFPhIndenotetracene","9-(4-fluorophenyl)-10-phenylindeno[1,2,3-fg]tetracene","","- C36 H21 F -","- C36 H20.54 F -","- C144 H82.16 F4 -","4","0.5","","Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.","Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.","The Journal of organic chemistry","2018","83","4","1828","1841","10.1021/acs.joc.7b02756","","","1.54178","CuKα","","0.0594","0.0479","","","0.1213","0.1301","","","","","","1.037","","","","has coordinates,has disorder","226494","2020-10-21","18:00:00",""
"4034992","26.263","0.005","24.983","0.005","16.363","0.003","90","","127.9","0.03","90","","8472","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 N8 O5 -","- C42 H48 Cl2 N8 O5 -","- C336 H384 Cl16 N64 O40 -","8","1","","Oshchepkov, Aleksandr S.; Shumilova, Tatiana A.; Namashivaya, Siva R.; Fedorova, Olga A.; Dorovatovskii, Pavel V.; Khrustalev, Viktor N.; Kataev, Evgeny A.","Hybrid Macrocycles for Selective Binding and Sensing of Fluoride in Aqueous Solution.","The Journal of organic chemistry","2018","83","4","2145","2153","10.1021/acs.joc.7b03077","","","0.9699","synchrotron","","0.1311","0.0976","","","0.1802","0.2012","","","","","","1.049","","","","has coordinates,has disorder","226495","2020-10-21","18:00:00",""
"4034993","10.6419","0.0005","9.2073","0.0004","22.7567","0.0012","90","","90","","90","","2229.77","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0562","0.0404","","","0.0931","0.1008","","","","","","1.034","","","","has coordinates","226496","2020-10-21","18:00:00",""
"4034994","7.84","0.005","9.312","0.005","11.055","0.005","88.607","0.005","71.857","0.005","75.099","0.005","739.8","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C34 H36 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0617","0.0448","","","0.0983","0.1055","","","","","","1.075","","","","has coordinates","226497","2020-10-21","18:00:00",""
"4034995","8.777","0.005","9.9","0.005","17.369","0.005","90","0.005","90.258","0.005","90","0.005","1509.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.0996","0.0536","","","0.1066","0.1242","","","","","","1.006","","","","has coordinates","226498","2020-10-21","18:00:00",""
"4034996","7.676","0.005","7.865","0.005","9.394","0.005","104.851","0.005","96.825","0.005","94.814","0.005","540.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C22 H28 N4 O4 -","2","1","","Saha, Amrita; Bhattacharyya, Aditya; Talukdar, Ranadeep; Ghorai, Manas K.","Stereospecific Syntheses of Enaminonitriles and β-Enaminoesters via Domino Ring-Opening Cyclization (DROC) of Activated Cyclopropanes with Pronucleophilic Malononitriles.","The Journal of organic chemistry","2018","83","4","2131","2144","10.1021/acs.joc.7b03033","","","0.71073","MoKα","","0.089","0.0512","","","0.1127","0.1284","","","","","","1.024","","","","has coordinates","226499","2020-10-21","18:00:00",""
"4034997","31.448","0.011","5.764","0.002","17.428","0.006","90","","95.748","0.008","90","","3143.2","1.9","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C152 H176 O16 -","8","1","","Frota, Carlise; Polo, Ellen Christine; Esteves, Henrique; Correia, Carlos Roque Duarte","Regioselective and Stereoselective Heck-Matsuda Arylations of Trisubstituted Allylic Alkenols and Their Silyl and Methyl Ether Derivatives To Access Two Contiguous Stereogenic Centers: Expanding the Redox-Relay Process and Application in the Total Synthesis of meso-Hexestrol.","The Journal of organic chemistry","2018","83","4","2198","2209","10.1021/acs.joc.7b03098","","","0.71073","MoKα","","0.0862","0.071","","","0.1781","0.189","","","","","","1.038","","","","has coordinates","226500","2020-10-21","18:00:00",""
"4034998","10.0873","0.0008","13.9444","0.0013","12.7124","0.0019","90","","106.462","0.011","90","","1714.8","0.3","103.3","","103.3","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C65.5 H9 N S3 -","- C65.5 H9 N S3 -","- C131 H18 N2 S6 -","2","0.5","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0915","0.0601","","","0.1253","0.1407","","","","","","1.043","","","","has coordinates,has disorder","226501","2020-10-21","18:00:00",""
"4034999","9.7654","0.0004","9.669","0.0004","12.0922","0.0009","90","","94.477","0.004","90","","1138.28","0.11","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O3 S2 -","- C9 H13 N O3 S2 -","- C36 H52 N4 O12 S8 -","4","1","","Wu, Sheng-Li; Gao, Xiang","Copper-Catalyzed Aerobic Oxidative Reaction of C<sub>60</sub> with Aliphatic Primary Amines and CS<sub>2</sub>.","The Journal of organic chemistry","2018","83","4","2125","2130","10.1021/acs.joc.7b03061","","","0.7107","MoKα","","0.0311","0.0274","","","0.0637","0.0662","","","","","","1.032","","","","has coordinates","226502","2020-10-21","18:00:00",""
"4035000","19.224","0.01","10.624","0.006","14.616","0.008","90","","136.066","0.004","90","","2071","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cl N2 O2 -","- C10 H9 Cl N2 O2 -","- C80 H72 Cl8 N16 O16 -","8","1","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.091","0.0471","","","0.1142","0.135","","","","","","1.032","","","","has coordinates","226504","2020-10-21","18:00:00",""
"4035001","13.755","0.004","5.1325","0.0015","25.638","0.008","90","","90","","90","","1810","0.9","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C80 H80 N16 O16 -","8","2","","Maity, Rajib; Naskar, Sandip; Das, Indrajit","Copper(II)-Catalyzed Reactions of α-Keto Thioesters with Azides via C-C and C-S Bond Cleavages: Synthesis of N-Acylureas and Amides.","The Journal of organic chemistry","2018","83","4","2114","2124","10.1021/acs.joc.7b03054","","","0.71073","MoKα","","0.0857","0.0766","","","0.1939","0.2041","","","","","","1.093","","","","has coordinates","226505","2020-10-21","18:00:00",""
"4035002","10.2333","0.0003","11.2199","0.0003","29.166","0.0008","90","","99.33","0.002","90","","3304.44","0.16","150.11","0.1","150.11","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H15 N O3 S -","- C20 H15 N O3 S -","- C160 H120 N8 O24 S8 -","8","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0526","0.0436","","","0.1233","0.1297","","","","","","1.049","","","","has coordinates,has disorder","226506","2020-10-21","18:00:00",""
"4035003","4.7727","0.0002","14.1337","0.0005","17.4306","0.0006","90","","94.745","0.002","90","","1171.77","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.0321","","","0.0768","0.0807","","","","","","1.056","","","","has coordinates","226507","2020-10-21","18:00:00",""
"4035004","19.3968","0.0009","6.3516","0.0003","10.0741","0.0005","90","","91.1632","0.0019","90","","1240.88","0.1","100.1","0.1","100.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","K-L~3~","0.0385","0.0317","","","0.0837","0.0883","","","","","","1.058","","","","has coordinates","226508","2020-10-21","18:00:00",""
"4035005","9.3136","0.0004","10.8927","0.0005","11.7419","0.0005","110.954","0.0012","109.926","0.0013","97.6942","0.0013","1000.48","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 Br2 -","- C28 H16 Br2 -","- C56 H32 Br4 -","2","1","","Thakellapalli, Haresh; Farajidizaji, Behzad; Li, Shuangjiang; Heller, Josef C.; Zhang, Yu; Akhmedov, Novruz G.; Milsmann, Carsten; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of a Cyclophane Bearing Two Benz[a]anthracene Units Connected at the 5 and 7 Positions with Two Naphth-1,4-diyl Groups.","The Journal of organic chemistry","2018","83","4","2455","2459","10.1021/acs.joc.7b03081","","","0.71073","MoKα","","0.06","0.0394","","","0.0957","0.1078","","","","","","1.032","","","","has coordinates","226509","2020-10-21","18:00:00",""
"4035006","11.8101","0.0012","22.902","0.002","8.8367","0.0009","90","","90","","90","","2390.1","0.4","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C24 H30 O6 S -","- C24 H30 O6 S -","- C96 H120 O24 S4 -","4","0.5","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0423","0.0361","","","0.0905","0.0956","","","","","","1.048","","","","has coordinates","226510","2020-10-21","18:00:00",""
"4035007","9.674","0.0008","9.764","0.0009","18.3344","0.0016","75.149","0.001","80.115","0.001","77.802","0.001","1623.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H42 N2 O6 S -","- C33 H42 N2 O6 S -","- C66 H84 N4 O12 S2 -","2","1","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.051","0.047","","","0.1238","0.128","","","","","","1.027","","","","has coordinates,has disorder","226511","2020-10-21","18:00:00",""
"4035008","9.6064","0.0019","18.787","0.004","19.001","0.004","73.209","0.003","88.784","0.003","88.223","0.003","3281.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H43.5 N1.5 O6 S -","- C34.5 H43.5 N1.5 O6 S -","- C138 H174 N6 O24 S4 -","4","2","","Morohashi, Naoya; Nanbu, Kazuki; Sonehara, Hayato; Ogihara, Jun; Shimazaki, Takanori; Hattori, Tetsutaro","Design and Synthesis of Open-Chain Hosts Having a Partial Structure of p-tert-Butylthiacalixarene.","The Journal of organic chemistry","2018","83","4","2235","2243","10.1021/acs.joc.7b03137","","","0.71073","MoKα","","0.0834","0.0703","","","0.1876","0.1987","","","","","","1.014","","","","has coordinates,has disorder","226512","2020-10-21","18:00:00",""
"4035009","14.1381","0.0001","15.8779","0.0001","20.5634","0.0002","90","","90","","90","","4616.14","0.06","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H52 Co2 O4 P2 Si2 -","- C47 H52 Co2 O4 P2 Si2 -","- C188 H208 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0371","0.0296","","0.0683","0.0641","0.0683","","","","","","1.006","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035010","17.1505","0.0002","12.7684","0.0002","22.9778","0.0003","90","","106.231","0.0005","90","","4831.23","0.11","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C95 H106 Cl2 Co4 O8 P4 Si4 -","- C190 H212 Cl4 Co8 O16 P8 Si8 -","2","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0511","0.0348","","0.0842","0.0748","0.0842","","","","","","1.0006","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035011","11.5356","0.0002","12.1471","0.0002","19.7928","0.0003","76.0952","0.0006","81.415","0.0007","64.0407","0.0006","2417.46","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 Co2 O4 P2 Si2 -","- C49 H52 Co2 O4 P2 Si2 -","- C98 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0577","0.0382","","0.0838","0.0755","0.0838","","","","","","0.9947","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035012","12.9206","0.0002","13.1057","0.0002","17.0055","0.0003","104.464","0.0007","100.388","0.0008","111.906","0.0009","2464.22","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 Co2 O4 P2 Si2 -","- C51 H52 Co2 O4 P2 Si2 -","- C102 H104 Co4 O8 P4 Si4 -","2","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0454","0.0357","","0.0926","0.0837","0.0924","","","","","","1.0175","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035013","11.5368","0.0011","12.2121","0.001","17.3928","0.0018","82.618","0.007","84.683","0.008","81.577","0.007","2397.1","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","- C88 H86 Co4 O8 P4 Si2 -","1","0.5","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0881","0.0542","","0.1335","0.1031","0.1335","","","","","","1.0096","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035014","14.4102","0.0005","16.2137","0.0007","37.474","0.002","90","","98.528","0.005","90","","8658.7","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H87 Co4 O8 P4 Si2 -","- C88 H87 Co4 O8 P4 Si2 -","- C352 H348 Co16 O32 P16 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.6889","Synchrotron","","0.0976","0.0564","","0.1529","0.1192","0.1529","","","","","","1.0007","","","","has coordinates,has disorder","226513","2020-10-21","18:00:00",""
"4035015","11.7494","0.0001","21.5314","0.0001","20.7742","0.0001","90","","91.9224","0.0003","90","","5252.52","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H64 Co2 O4 P2 Si2 -","- C53 H64 Co2 O4 P2 Si2 -","- C212 H256 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0402","0.0314","","0.0784","0.0725","0.0784","","","","","","1.0008","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035016","5.8857","0.0001","12.0646","0.0002","13.8223","0.0003","77.515","0.002","82.318","0.002","78.463","0.002","934.73","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 Br N -","- C24 H20 Br N -","- C48 H40 Br2 N2 -","2","1","","Andreou, Dimitrios; Kallitsakis, Michael G.; Loukopoulos, Edward; Gabriel, Catherine; Kostakis, George E.; Lykakis, Ioannis N.","Copper-Promoted Regioselective Synthesis of Polysubstituted Pyrroles from Aldehydes, Amines, and Nitroalkenes via 1,2-Phenyl/Alkyl Migration.","The Journal of organic chemistry","2018","83","4","2104","2113","10.1021/acs.joc.7b03051","","x-ray","0.71075","MoKα","K-L~3~","0.0456","0.043","","","0.0929","0.0941","","","","","","1.182","","","","has coordinates","226514","2020-10-21","18:00:00",""
"4035017","12.5987","0.0008","16.8102","0.0013","21.1926","0.0016","90","","103.135","0.004","90","","4370.9","0.6","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C65 H40 Cl2 -","- C65 H40 Cl2 -","- C260 H160 Cl8 -","4","1","","Romain, Maxime; Quinton, Cassandre; Roisnel, Thierry; Jacques, Emmanuel; Rault-Berthelot, Joëlle; Poriel, Cyril","A Dihydrodinaphthoheptacene.","The Journal of organic chemistry","2018","83","4","1891","1897","10.1021/acs.joc.7b02834","","x-ray","0.71073","MoKα","","0.1938","0.071","","","0.1591","0.2204","","","","","","0.95","","","","has coordinates","226515","2020-10-21","18:00:00",""
"4035018","9.129","0.007","10.75","0.009","17.377","0.014","80.64","0.04","84.3","0.02","73.38","0.03","1610","2","122","2","122","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B Cl3 Fe N6 -","- C39 H22 B Cl3 Fe N6 -","- C78 H44 B2 Cl6 Fe2 N12 -","2","1","","Muñoz, Alberto Viñas; Gotfredsen, Henrik; Jevric, Martyn; Kadziola, Anders; Hammerich, Ole; Nielsen, Mogens Brøndsted","Synthesis and Properties of Subphthalocyanine-Tetracyanobutadiene-Ferrocene Triads.","The Journal of organic chemistry","2018","83","4","2227","2234","10.1021/acs.joc.7b03122","","","0.71073","MoKα","","0.0606","0.0392","","","0.0829","0.0912","","","","","","1.017","","","","has coordinates","226516","2020-10-21","18:00:00",""
"4035019","10.9853","0.0002","13.3394","0.0002","16.8944","0.0002","90","","93.576","0.001","90","","2470.84","0.07","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br N O -","- C32 H24 Br N O -","- C128 H96 Br4 N4 O4 -","4","1","","Ding, Ting-Hui; Xiao, Zu-Feng; Qu, Jian-Ping; Kang, Yan-Biao","Synthesis of Highly Functionalized Indoles and Indolones via Selectivity-Switchable Olefinations.","The Journal of organic chemistry","2018","83","4","2467","2472","10.1021/acs.joc.7b03158","","","1.54184","CuKα","","0.0549","0.0482","","","0.1314","0.1388","","","","","","1.041","","","","has coordinates","226517","2020-10-21","18:00:00",""
"4035020","7.991","0.003","8.632","0.003","11.023","0.004","109.502","0.016","100.029","0.016","93.386","0.016","700.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Abranches, Paula Aline da Silva; de Paiva, Walysson Ferreira; de Fátima, Ângelo; Martins, Felipe Terra; Fernandes, Sergio Antonio","Calix[n]arene-Catalyzed Three-Component Povarov Reaction: Microwave-Assisted Synthesis of Julolidines and Mechanistic Insights.","The Journal of organic chemistry","2018","83","4","1761","1771","10.1021/acs.joc.7b02532","","","0.71073","MoKα","","0.0323","0.0265","","","0.0681","0.0706","","","","","","1.048","","","","has coordinates","226518","2020-10-21","18:00:00",""
"4035021","7.1638","0.0004","7.3976","0.0004","18.5628","0.001","90","","96.411","0.002","90","","977.58","0.09","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H19 Br N O5 P -","- C18 H19 Br N O5 P -","- C36 H38 Br2 N2 O10 P2 -","2","1","","Hazra, Gurupada; Pratap, Shiv; Ghorai, Prasanta","Organocatalytic, Chemoselective Hydrophosphenylation/oxa-Michael Addition Cascade toward Diastereo- and Enantioenriched 1,3-Dihydroisobenzofuryl Phosphonates.","The Journal of organic chemistry","2018","83","17","9654","9666","10.1021/acs.joc.8b01048","","","0.71073","MoKα","","0.0793","0.0487","","","0.1068","0.1195","","","","","","1.038","","","","has coordinates","226519","2020-10-21","18:00:00",""
"4035022","3.8804","0.0006","15.393","0.003","22.337","0.004","90","","94.074","0.005","90","","1330.8","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O -","- C19 H11 N O -","- C76 H44 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0416","0.0327","","","0.0807","0.0891","","","","","","1.093","","","","has coordinates","226520","2020-10-21","18:00:00",""
"4035023","10.2582","0.0005","4.6635","0.0002","28.4043","0.0016","90","","93.906","0.002","90","","1355.68","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.0422","0.0352","","","0.0877","0.0936","","","","","","1.05","","","","has coordinates","226521","2020-10-21","18:00:00",""
"4035024","3.7895","0.0008","21.669","0.005","13.318","0.004","90","","92.452","0.007","90","","1092.6","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F N O -","- C15 H8 F N O -","- C60 H32 F4 N4 O4 -","4","1","","Villuri, Bharath Kumar; Ichake, Sachin S.; Reddy, Sabbasani Rajasekhara; Kavala, Veerababurao; Bandi, Vijayalakshmi; Kuo, Chun-Wei; Yao, Ching-Fa","Copper-Catalyzed Cascade Synthesis of 2-Aryl-3-cyanobenzofuran and Dibenzo[ b, f]oxepine-10-carbonitrile Derivatives.","The Journal of organic chemistry","2018","83","17","10241","10247","10.1021/acs.joc.8b01443","","","0.71073","MoKα","","0.1086","0.0564","","","0.1302","0.1603","","","","","","1.022","","","","has coordinates","226522","2020-10-21","18:00:00",""
"4035025","13.976","0.007","8.894","0.004","16.293","0.008","90","","104.977","0.009","90","","1956.5","1.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1605","0.086","","","0.1771","0.2048","","","","","","0.916","","","","has coordinates","226523","2020-10-21","18:00:00",""
"4035026","11.104","0.006","9.016","0.005","16.057","0.008","90","","92.807","0.01","90","","1605.6","1.5","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H32 Cl3 N3 Ni O3 -","- C36 H32 Cl3 N3 Ni O3 -","- C72 H64 Cl6 N6 Ni2 O6 -","2","1","","Wang, Shuni; Nian, Yong; Zhou, Shengbin; Wang, Jiang; Liu, Hong","Chemical Resolution of C, N-Unprotected α-Substituted β-Amino Acids Using Stable and Recyclable Proline-Derived Chiral Ligands.","The Journal of organic chemistry","2018","83","17","9870","9878","10.1021/acs.joc.8b01336","","","0.71073","MoKα","","0.1092","0.0739","","","0.1665","0.1893","","","","","","0.996","","","","has coordinates","226524","2020-10-21","18:00:00",""
"4035027","6.0555","0.0005","10.5535","0.0009","19.4333","0.0016","90","","98.716","0.001","90","","1227.58","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 I2 N O -","- C11 H11 I2 N O -","- C44 H44 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0392","0.0369","","","0.1106","0.1122","","","","","","1.078","","","","has coordinates","226525","2020-10-21","18:00:00",""
"4035028","8.4152","0.0016","8.0644","0.0015","13.713","0.003","90","","93.685","0.003","90","","928.7","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 I2 N O -","- C6 H9 I2 N O -","- C24 H36 I8 N4 O4 -","4","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.0398","0.0335","","","0.0834","0.0876","","","","","","1.169","","","","has coordinates","226526","2020-10-21","18:00:00",""
"4035029","8.7161","0.001","7.7989","0.0009","10.9853","0.0012","90","","98.149","0.001","90","","739.2","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Zhu, Yu; Shao, Li-Dong; Deng, Zhen-Tao; Bao, Ying; Shi, Xin; Zhao, Qin-Shi","PIDA/I<sub>2</sub>-Mediated α- and β-C(sp<sup>3</sup>)-H Bond Dual Functionalization of Tertiary Amines.","The Journal of organic chemistry","2018","83","17","10166","10174","10.1021/acs.joc.8b01424","","","0.71073","MoKα","","0.015","0.0148","","","0.0377","0.0377","","","","","","1.108","","","","has coordinates","226527","2020-10-21","18:00:00",""
"4035030","16.642","0.003","8.5259","0.0007","21.871","0.003","90","","107.058","0.017","90","","2966.7","0.8","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N O6 S -","- C14 H17 N O6 S -","- C112 H136 N8 O48 S8 -","8","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0473","0.0413","","","0.1102","0.1139","","","","","","1.045","","","","has coordinates,has disorder","226528","2020-10-21","18:00:00",""
"4035031","8.7848","0.0008","5.5237","0.0006","12.4287","0.0012","90","","99.342","0.009","90","","595.1","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H17 N O3 S -","- C11 H17 N O3 S -","- C22 H34 N2 O6 S2 -","2","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0761","0.0678","","","0.1678","0.179","","","","","","1.052","","","","has coordinates","226529","2020-10-21","18:00:00",""
"4035032","8.0528","0.0003","10.4267","0.0004","20.0816","0.0006","90","","92.974","0.003","90","","1683.86","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","2","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0423","0.0392","","","0.1049","0.1074","","","","","","1.052","","","","has coordinates,has disorder","226530","2020-10-21","18:00:00",""
"4035033","11.19566","0.00005","11.19566","0.00005","16.25033","0.00011","90","","90","","90","","2036.86","0.019","120","2","120","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C80 H104 N8 O16 S8 -","8","1","","Przeslak, Adam D.; Inman, Martyn; Lewis, William; Moody, Christopher J.","Origin of the Thiopyrone CTP-431 ""Unexpectedly"" Isolated from the Marine Sponge Cacospongia mycofijiensis.","The Journal of organic chemistry","2018","83","17","10595","10601","10.1021/acs.joc.8b01258","","x-ray","1.54184","CuKα","","0.0218","0.0218","","","0.0603","0.0603","","","","","","1.089","","","","has coordinates,has disorder","226531","2020-10-21","18:00:00",""
"4035034","5.35148","0.00012","13.2226","0.0003","16.0719","0.0003","90","","96.9164","0.0019","90","","1128.98","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl F3 N O -","- C11 H11 Cl F3 N O -","- C44 H44 Cl4 F12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.0776","0.0778","","","","","","1.061","","","","has coordinates","226532","2020-10-21","18:00:00",""
"4035035","10.4462","0.0002","13.3919","0.0002","10.8689","0.0002","90","","115.11","0.003","90","","1376.8","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F5 N O -","- C15 H10 F5 N O -","- C60 H40 F20 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0392","0.0389","","","0.1069","0.1071","","","","","","1.072","","","","has coordinates,has disorder","226533","2020-10-21","18:00:00",""
"4035036","5.01791","0.00018","9.1748","0.0003","14.1441","0.0006","90","","100.168","0.004","90","","640.94","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.032","0.0304","","","0.0722","0.0731","","","","","","1.038","","","","has coordinates","226534","2020-10-21","18:00:00",""
"4035037","5.5726","0.0004","16.6112","0.0008","15.731","0.001","90","","96.073","0.006","90","","1448.01","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0647","0.0556","","","0.1014","0.1043","","","","","","1.224","","","","has coordinates","226535","2020-10-21","18:00:00",""
"4035038","11.5272","0.0009","6.0424","0.0006","24.9593","0.0015","90","","93.833","0.007","90","","1734.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl2.985 N O3 -","- C17 H16 Cl2.985 N O3 -","- C68 H64 Cl11.94 N4 O12 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","1.54184","CuKα","","0.0743","0.0604","","","0.1565","0.1743","","","","","","1.0514","","","","has coordinates,has disorder","226536","2020-10-21","18:00:00",""
"4035039","6.4856","0.0005","10.5126","0.0011","13.3256","0.0013","104.204","0.009","93.568","0.007","97.731","0.007","868.46","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 F3 N O -","- C19 H20 F3 N O -","- C38 H40 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.1517","0.0976","","","0.2832","0.3317","","","","","","1.046","","","","has coordinates","226537","2020-10-21","18:00:00",""
"4035040","8.3415","0.0002","11.0216","0.0003","11.7741","0.0003","66.39","0.003","76.807","0.002","80.568","0.002","962.49","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Cl3 N O -","- C19 H20 Cl3 N O -","- C38 H40 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0451","0.0428","","","0.1187","0.1209","","","","","","1.05","","","","has coordinates","226538","2020-10-21","18:00:00",""
"4035041","12.1625","0.0003","5.95218","0.00015","20.3165","0.0005","90","","97.608","0.002","90","","1457.83","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl3 N O -","- C15 H12 Cl3 N O -","- C60 H48 Cl12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0635","0.068","","","","","","1.026","","","","has coordinates","226539","2020-10-21","18:00:00",""
"4035042","11.3298","0.0009","14.7085","0.0008","14.79","0.0012","112.401","0.006","111.794","0.008","90.343","0.005","2084.4","0.3","100","5","100","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F3 N O -","- C23 H28 F3 N O -","- C92 H112 F12 N4 O4 -","4","2","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0753","0.0549","","","0.1381","0.1561","","","","","","1.05","","","","has coordinates","226540","2020-10-21","18:00:00",""
"4035043","7.4873","0.0005","9.526","0.0007","9.734","0.0009","100.892","0.007","108.69","0.007","93.579","0.005","640.14","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C30 H24 F6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","0.71073","MoKα","","0.0766","0.0487","","","0.0905","0.1092","","","","","","1.067","","","","has coordinates","226541","2020-10-21","18:00:00",""
"4035044","14.2867","0.0005","6.1746","0.0002","21.3414","0.0007","90","","92.632","0.003","90","","1880.64","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br3 Cl2 N O -","- C16 H14 Br3 Cl2 N O -","- C64 H56 Br12 Cl8 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0581","0.0378","","","0.0766","0.0859","","","","","","0.999","","","","has coordinates","226542","2020-10-21","18:00:00",""
"4035045","9.1989","0.0006","11.3605","0.0007","12.1333","0.0006","68.473","0.006","81.496","0.005","73.833","0.006","1131.4","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.01 H28 Cl3 N O -","- C23 H28 Cl3 N O -","- C46 H56 Cl6 N2 O2 -","2","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","","0.71073","MoKα","","0.0675","0.0502","","","0.1085","0.1181","","","","","","1.035","","","","has coordinates,has disorder","226543","2020-10-21","18:00:00",""
"4035046","5.8087","0.0003","15.6067","0.0008","16.7214","0.0008","90","","90","","90","","1515.87","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br3 N O -","- C15 H12 Br3 N O -","- C60 H48 Br12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.1052","0.1058","","","","","","1.075","","","","has coordinates","226544","2020-10-21","18:00:00",""
"4035047","13.6502","0.0008","5.5638","0.0003","25.477","0.002","90","","93.556","0.006","90","","1931.2","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 N2 O5.5 -","- C21.5 H21 N2 O5.5 -","- C86 H84 N8 O22 -","4","1","","Cristòfol, Àlex; Escudero-Adán, Eduardo C; Kleij, Arjan W.","Palladium-Catalyzed ( Z)-Selective Allylation of Nitroalkanes: Access to Highly Functionalized Homoallylic Scaffolds.","The Journal of organic chemistry","2018","83","17","9978","9990","10.1021/acs.joc.8b01372","","","0.7107","MoKα","","0.0761","0.0418","","","0.0854","0.097","","","","","","0.932","","","","has coordinates,has disorder","226545","2020-10-21","18:00:00",""
"4035048","15.5766","0.0003","14.06756","0.00019","21.4444","0.0004","90","","106.56","0.0019","90","","4504.09","0.14","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C204 H180 N12 O36 -","12","3","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0743","0.0561","","","0.1521","0.1767","","","","","","1.037","","","","has coordinates","226546","2020-10-21","18:00:00",""
"4035049","8.4322","0.0003","21.4954","0.0007","9.3861","0.0002","90","","96.136","0.003","90","","1691.52","0.09","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.1041","0.0822","","","0.2153","0.2497","","","","","","1.088","","","","has coordinates","226547","2020-10-21","18:00:00",""
"4035050","9.7126","0.0002","20.5098","0.0004","12.2179","0.0004","90","","107.992","0.003","90","","2314.83","0.11","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O4 -","- C30 H22 O4 -","- C120 H88 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0633","0.0428","","","0.1066","0.1207","","","","","","1.031","","","","has coordinates","226548","2020-10-21","18:00:00",""
"4035051","24.4632","0.001","6.3155","0.0002","7.98","0.0003","90","","90","","90","","1232.89","0.08","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H12 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Dhotare, Bhaskar B.; Kumar, Mukesh; Nayak, Sandip K.","Catalytic Oxidation of 3-Arylbenzofuran-2(3 H)-ones with PCC-H<sub>5</sub>IO<sub>6</sub>: Syntheses of 3-Aryl-3-hydroxy/3-amido-3-arylbenzofuran-2(3 H)-ones.","The Journal of organic chemistry","2018","83","17","10089","10096","10.1021/acs.joc.8b01395","","x-ray","1.54184","CuKα","","0.0665","0.0551","","","0.1491","0.1714","","","","","","1.095","","","","has coordinates","226549","2020-10-21","18:00:00",""
"4035052","15.6648","0.0004","6.225","0.0002","9.6874","0.0002","90","","92.105","0.002","90","","944.01","0.04","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0421","0.0383","","","0.1094","0.114","","","","","","1.024","","","","has coordinates","226550","2020-10-21","18:00:00",""
"4035053","17.1351","0.0019","18.035","0.0011","15.9634","0.0015","90","","104.132","0.011","90","","4783.9","0.8","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 N O Si -","- C6 H13 N O Si -","- C120 H260 N20 O20 Si20 -","20","5","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","0.71073","MoKα","","0.166","0.0868","","","0.215","0.2797","","","","","","1.044","","","","has coordinates,has disorder","226551","2020-10-21","18:00:00",""
"4035054","13.7589","0.0003","6.3812","0.0001","9.7121","0.0002","90","","104.51","0.002","90","","825.51","0.03","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F N O -","- C9 H8 F N O -","- C36 H32 F4 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0411","0.0381","","","0.1092","0.1128","","","","","","1.041","","","","has coordinates","226552","2020-10-21","18:00:00",""
"4035055","18.3993","0.0005","3.8588","0.0001","20.1602","0.0006","90","","110.214","0.003","90","","1343.2","0.07","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F2 N O -","- C17 H11 F2 N O -","- C68 H44 F8 N4 O4 -","4","1","","Ji, Xiaolei; Gao, Bao; Zhou, Xibing; Liu, Zongjian; Huang, Hanmin","Palladium-Catalyzed Regioselective Hydroaminocarbonylation of Alkynes to α,β-Unsaturated Primary Amides with Ammonium Chloride.","The Journal of organic chemistry","2018","83","17","10134","10141","10.1021/acs.joc.8b01405","","","1.54184","CuKα","","0.0544","0.0482","","","0.1307","0.1383","","","","","","1.048","","","","has coordinates,has disorder","226553","2020-10-21","18:00:00",""
"4035056","8.2753","0.0002","12.7887","0.0004","12.9785","0.0004","62.156","0.003","85.674","0.002","71.169","0.002","1144.82","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O2 S -","- C24 H21 Br N2 O2 S -","- C48 H42 Br2 N4 O4 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0292","0.0276","","","0.0717","0.0729","","","","","","1.039","","","","has coordinates","226554","2020-10-21","18:00:00",""
"4035057","16.8993","0.0002","13.773","0.0001","17.8139","0.0002","90","","90","","90","","4146.26","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C192 H176 N16 O24 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0453","0.0388","","","0.095","0.0995","","","","","","1.054","","","","has coordinates","226555","2020-10-21","18:00:00",""
"4035058","15.4369","0.0006","8.5736","0.0003","14.8908","0.0005","90","","105.541","0.004","90","","1898.74","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O4 S -","- C22 H19 N2.977 O4 S -","- C88 H76 N11.908 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","","0.71073","MoKα","","0.0497","0.0392","","","0.0916","0.098","","","","","","1.026","","","","has coordinates","226556","2020-10-21","18:00:00",""
"4035059","8.0862","0.0003","13.6933","0.0005","13.547","0.0004","90","","96.885","0.003","90","","1489.2","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N3 O4 S -","- C16 H13 N3 O4 S -","- C64 H52 N12 O16 S4 -","4","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0373","0.0362","","","0.0978","0.0988","","","","","","1.055","","","","has coordinates","226557","2020-10-21","18:00:00",""
"4035060","7.9586","0.0002","15.7174","0.0006","30.9471","0.001","90","","90","","90","","3871.1","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N3 O5 S -","- C22 H18 F N3 O5 S -","- C176 H144 F8 N24 O40 S8 -","8","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0424","0.039","","","0.1035","0.106","","","","","","1.056","","","","has coordinates","226558","2020-10-21","18:00:00",""
"4035061","8.3367","0.0002","12.4816","0.0004","12.9221","0.0004","112.654","0.003","95.011","0.002","108.452","0.003","1142.96","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Br N2 O3 S -","- C24 H21 Br N2 O3 S -","- C48 H42 Br2 N4 O6 S2 -","2","1","","Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE).","The Journal of organic chemistry","2018","83","17","9707","9717","10.1021/acs.joc.8b01210","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0816","0.0823","","","","","","1.089","","","","has coordinates","226559","2020-10-21","18:00:00",""
"4035062","12.6257","0.0012","15.9625","0.0015","20.596","0.0019","90","","97.372","0.002","90","","4116.6","0.7","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C208 H184 N8 O16 -","8","2","","Ghosh, Koushik; Shankar, Majji; Rit, Raja K.; Dubey, Gurudutt; Bharatam, Prasad V.; Sahoo, Akhila K.","Sulfoximine-Assisted One-Pot Unsymmetrical Multiple Annulation of Arenes: A Combined Experimental and Computational Study.","The Journal of organic chemistry","2018","83","17","9667","9681","10.1021/acs.joc.8b01077","","","0.71073","MoKα","","0.1386","0.0668","","","0.1559","0.1954","","","","","","1.004","","","","has coordinates","226560","2020-10-21","18:00:00",""
"4035063","8.4828","0.0015","9.5212","0.0016","25.663","0.004","90","","90","","90","","2072.7","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-4-105","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0574","0.0445","","","0.0959","0.1007","","","","","","1.027","","","","has coordinates","226561","2020-10-21","18:00:00",""
"4035064","9.343","0.008","11.102","0.009","19.127","0.016","90","","90","","90","","1984","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-20mL vial","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.098","","","","","","1.048","","","","has coordinates","226562","2020-10-21","18:00:00",""
"4035065","5.3196","0.0002","13.2115","0.0005","19.4963","0.0007","90","","90","","90","","1370.2","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0326","0.0277","","","0.0619","0.0654","","","","","","1.058","","","","has coordinates","226563","2020-10-21","18:00:00",""
"4035066","7.3556","0.0002","11.9761","0.0004","21.0147","0.0007","90","","90","","90","","1851.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O7 -","- C21 H19 N O7 -","- C84 H76 N4 O28 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0303","0.0267","","","0.0649","0.067","","","","","","1.063","","","","has coordinates","226564","2020-10-21","18:00:00",""
"4035067","8.9478","0.0002","13.8124","0.0003","18.1979","0.0005","90","","90","","90","","2249.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0397","0.0351","","","0.0908","0.0946","","","","","","1.008","","","","has coordinates","226565","2020-10-21","18:00:00",""
"4035068","10.933","0.007","9.353","0.005","11.274","0.009","90","","108.644","0.008","90","","1092.3","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","1-(2,2,2-trinitroethyl)-1H-1,2,3-triazole-4,5-dicarbonitrile","","- C6 H2 N8 O6 -","- C6 H2 N8 O6 -","- C24 H8 N32 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0773","0.0453","","","0.0923","0.1064","","","","","","1.023","","","","has coordinates","226566","2020-10-21","18:00:00",""
"4035069","11.0691","0.0016","7.7257","0.0009","12.03","0.002","90","","114.457","0.019","90","","936.5","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-(3,3,3-trinitropropyl)-tetrazole","1-(3,3,3-trinitropropyl)-1H-tetrazole","","- C4 H5 N7 O6 -","- C4 H5 N7 O6 -","- C16 H20 N28 O24 -","4","1","","Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas; Unger, Cornelia C.","Synthetic Routes to a Triazole and Tetrazole with Trinitroalkyl Substitution at Nitrogen.","The Journal of organic chemistry","2018","83","17","10505","10509","10.1021/acs.joc.8b01072","","","0.71073","MoKα","","0.0795","0.0449","","","0.0769","0.0911","","","","","","0.977","","","","has coordinates","226567","2020-10-21","18:00:00",""
"4035070","8.98962","0.00008","9.4394","0.00012","14.40897","0.00012","90","","94.9113","0.0008","90","","1218.21","0.02","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H24 N2 O5 -","- C30 H24 N2 O5 -","- C60 H48 N4 O10 -","2","1","","Chen, Yu; Cui, Bao-Dong; Wang, Yi; Han, Wen-Yong; Wan, Nan-Wei; Bai, Mei; Yuan, Wei-Cheng; Chen, Yong-Zheng","Asymmetric [3 + 2] Cycloaddition Reaction of Isatin-Derived MBH Carbonates with 3-Methyleneoxindoles: Enantioselective Synthesis of 3,3'-Cyclopentenyldispirooxindoles Incorporating Two Adjacent Quaternary Spirostereocenters.","The Journal of organic chemistry","2018","83","17","10465","10475","10.1021/acs.joc.8b01506","","x-ray","1.54184","CuKα","","0.0438","0.0429","","","0.1152","0.1161","","","","","","1.077","","","","has coordinates","226568","2020-10-21","18:00:00",""
"4035071","40.6426","0.0012","19.3429","0.0005","5.63427","0.00014","90","","90","","90","","4429.4","0.2","150","","150","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C26 H34 N2 O2 -","- C26 H34 N2 O2 -","- C208 H272 N16 O16 -","8","0.5","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0276","0.027","","0.0699","0.0693","0.0699","","","","","","1.0053","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035072","11.2423","0.0004","10.247","0.0003","10.5891","0.0003","90","","112.855","0.004","90","","1124.09","0.07","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0398","0.0376","","0.0989","0.097","0.0989","","","","","","1.001","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035073","11.06116","0.00015","12.025","0.0002","12.97101","0.00018","90","","92.7666","0.0013","90","","1723.27","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","2","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0371","0.0363","","0.0978","0.0965","0.0978","","","","","","0.9982","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035074","5.71465","0.00009","11.1475","0.0002","9.58011","0.00015","90","","106.521","0.0017","90","","585.097","0.017","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0274","0.0267","","0.0663","0.0657","0.0663","","","","","","1.0335","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035075","7.6974","0.0003","8.3857","0.0004","27.1665","0.0015","90","","90","","90","","1753.55","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0485","0.0448","","0.1217","0.1185","0.1217","","","","","","0.9998","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035076","6.20379","0.00019","10.109","0.0004","21.0273","0.0007","90","","90","","90","","1318.71","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.031","0.0294","","0.0726","0.0714","0.0726","","","","","","1.0014","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035077","6.09911","0.00009","19.8667","0.0003","20.5517","0.0003","90","","90","","90","","2490.23","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O5 S -","- C28 H33 N O5 S -","- C112 H132 N4 O20 S4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.039","0.0369","","0.112","0.0991","0.1091","","","","","","1.0045","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035078","7.5945","0.0005","14.1084","0.0008","16.4675","0.0007","90","","90","","90","","1764.43","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0762","0.0718","","0.2015","0.1959","0.2015","","","","","","1.0006","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035079","6.66884","0.00012","10.20673","0.00017","26.001","0.0005","90","","90","","90","","1769.81","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0409","0.0379","","0.1017","0.0941","0.1017","","","","","","0.9969","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035080","6.1718","0.0012","8.9442","0.0008","19.711","0.002","90","","91.81","0.015","90","","1087.5","0.3","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 Cl3 N O3 -","- C22 H28 Cl3 N O3 -","- C44 H56 Cl6 N2 O6 -","2","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.5418","CuKα","","0.0506","0.049","","0.1248","0.1237","0.1248","","","","","","1.0051","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035081","6.4569","0.0003","8.3507","0.0003","25.6234","0.001","90","","90","","90","","1381.6","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0294","0.0277","","0.0703","0.0685","0.0703","","","","","","1.0084","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035082","7.15836","0.00007","10.69592","0.00012","24.2138","0.0002","90","","90","","90","","1853.94","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0307","0.03","","0.0795","0.0787","0.0794","","","","","","1.0015","","","","has coordinates,has disorder","226569","2020-10-21","18:00:00",""
"4035083","15.45","0.0013","8.1309","0.0007","17.7096","0.0015","90","","115.073","0.004","90","","2015.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 N2 O2 S4 -","- C17 H30 N2 O2 S4 -","- C68 H120 N8 O8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","1.54178","CuKα","","0.3244","0.0797","","","0.2919","0.44","","","","","","1.875","","","","has coordinates","226570","2020-10-21","18:00:00",""
"4035084","26.509","0.005","10.6554","0.0019","14.59","0.003","90","","90","","90","","4121.1","1.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H34 N2 S4 -","- C17 H34 N2 S4 -","- C136 H272 N16 S32 -","8","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0861","0.0786","","","0.2039","0.21","","","","","","1.061","","","","has coordinates","226571","2020-10-21","18:00:00",""
"4035085","9.821","0.003","27.136","0.007","9.389","0.002","90","","117.809","0.003","90","","2213.2","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H37 B N2 S4 -","- C17 H37 B N2 S4 -","- C68 H148 B4 N8 S16 -","4","1","","Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.","Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.","The Journal of organic chemistry","2018","83","17","10025","10036","10.1021/acs.joc.8b01382","","","0.71073","MoKα","","0.0538","0.0426","","","0.0864","0.0922","","","","","","1.037","","","","has coordinates","226572","2020-10-21","18:00:00",""
"4035086","15.7615","0.0015","19.7057","0.0019","16.691","0.002","90","","116.115","0.004","90","","4654.9","0.9","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28.5 H23 Cl F N3 -","- C28.5 H23 Cl F N3 -","- C228 H184 Cl8 F8 N24 -","8","2","","Kibriya, Golam; Bagdi, Avik Kumar; Hajra, Alakananda","Visible-Light-Promoted C(sp<sup>3</sup>)-C(sp<sup>2</sup>) Cross-Dehydrogenative Coupling of Tertiary Amine with Imidazopyridine.","The Journal of organic chemistry","2018","83","17","10619","10626","10.1021/acs.joc.8b01433","","","0.71073","MoKα","","0.1407","0.0873","","","0.2016","0.2616","","","","","","1.109","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035087","14.6889","0.001","10.2866","0.0007","15.7695","0.0011","90","","90.499","0.001","90","","2382.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 B N4 O7 -","- C22 H35 B N4 O7 -","- C88 H140 B4 N16 O28 -","4","2","","Golovanov, Ivan S.; Mazeina, Galina S.; Nelyubina, Yulia V.; Novikov, Roman A.; Mazur, Anton S.; Britvin, Sergey N.; Tartakovsky, Vladimir A.; Ioffe, Sema L.; Sukhorukov, Alexey Yu","Exploiting Coupling of Boronic Acids with Triols for a pH-Dependent ""Click-Declick"" Chemistry.","The Journal of organic chemistry","2018","83","17","9756","9773","10.1021/acs.joc.8b01296","","","0.71073","MoKα","","0.0594","0.0443","","","0.0967","0.1056","","","","","","1.003","","","","has coordinates","226574","2020-10-21","18:00:00",""
"4035088","9.1299","0.0002","13.163","0.0003","23.1982","0.0004","97.047","0.002","91.529","0.002","101.08","0.002","2711.64","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","t-Butyl 2-benzyl-5-{[4-(benzyloxy)phenyl]methyl}-2-hydroxy-3-methyl- 4-oxoimidazolidine-1-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","2","","Lamb, Richard A.; Lucas, Nigel T.; Lessene, Guillaume; Hawkins, Bill C.","Strategies, Setbacks, and Successes in the Synthesis of (-)-Spiroleucettadine.","The Journal of organic chemistry","2018","83","17","10120","10133","10.1021/acs.joc.8b01404","","","1.54184","CuKα","","0.0576","0.0486","","","0.1232","0.132","","","","","","1.025","","","","has coordinates","226575","2020-10-21","18:00:00",""
"4035089","10.6463","0.0008","20.6161","0.0017","14.6073","0.0012","90","","103.522","0.003","90","","3117.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 Cl N2 O2 S -","- C33 H39 Cl N2 O2 S -","- C132 H156 Cl4 N8 O8 S4 -","4","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.1164","0.0615","","","0.1678","0.1975","","","","","","1.098","","","","has coordinates,has disorder","226576","2020-10-21","18:00:00",""
"4035090","9.8859","0.0008","10.2261","0.0009","11.994","0.001","73.329","0.001","84.566","0.002","73.789","0.001","1115.23","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O3 S -","- C26 H24 O3 S -","- C52 H48 O6 S2 -","2","1","","Zhu, Xiao-Tong; Lu, Qiu-Li; Wang, Xiang; Zhang, Tian-Shu; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Substrate-Controlled Generation of 3-Sulfonylated 1-Indenones and 3-Arylated ( Z)-Indenes via Cu-Catalyzed Radical Cyclization Cascades of o-Alkynylbenzonitriles.","The Journal of organic chemistry","2018","83","17","9890","9901","10.1021/acs.joc.8b01343","","","0.71073","MoKα","","0.0873","0.0491","","","0.0954","0.1032","","","","","","1.091","","","","has coordinates,has disorder","226577","2020-10-21","18:00:00",""
"4035091","10.071","0.003","17.413","0.004","18.47","0.005","90","","90","","90","","3239","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 O5 -","- C32 H48 N2 O5 -","- C128 H192 N8 O20 -","4","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.1826","0.0393","","","0.0542","0.0706","","","","","","0.621","","","","has coordinates","226578","2020-10-21","18:00:00",""
"4035092","5.976","0.0002","9.0579","0.0004","10.1215","0.0004","90","","91.597","0.002","90","","547.66","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C20 H34 N2 O10 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","1.54178","CuKα","","0.0238","0.0238","","","0.0627","0.0627","","","","","","1.093","","","","has coordinates","226579","2020-10-21","18:00:00",""
"4035093","9.8914","0.0012","11.3971","0.0013","13.1289","0.0015","90","","95.73","0.002","90","","1472.7","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H48 N2 O6 -","- C27 H48 N2 O6 -","- C54 H96 N4 O12 -","2","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.0649","0.0507","","","0.1249","0.1363","","","","","","1.049","","","","has coordinates","226580","2020-10-21","18:00:00",""
"4035094","8.8996","0.0008","9.65","0.0008","12.1116","0.001","106.271","0.0014","94.4157","0.0015","102.882","0.0015","962.5","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 O3 Si -","- C23 H22 O3 Si -","- C46 H44 O6 Si2 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0699","0.0468","","","0.1213","0.1313","","","","","","1.003","","","","has coordinates","226581","2020-10-21","18:00:00",""
"4035095","9.4113","0.0003","10.0279","0.0003","10.3607","0.0003","72.949","0.001","65.491","0.001","71.933","0.001","830.38","0.04","100","2","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O3 -","- C22 H16 O3 -","- C44 H32 O6 -","2","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.0551","0.0429","","","0.1133","0.1219","","","","","","1.029","","","","has coordinates","226582","2020-10-21","18:00:00",""
"4035096","6.2666","0.0007","32.998","0.004","8.043","0.0009","90","","90.847","0.002","90","","1663","0.3","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H17 N O2 Si -","- C19 H17 N O2 Si -","- C76 H68 N4 O8 Si4 -","4","1","","Bam, Radha; Chalifoux, Wesley A.","One-Pot Domino Friedel-Crafts Acylation/Annulation between Alkynes and 2-Methoxybenzoyl Chlorides: Synthesis of 2,3-Disubstituted Chromen-4-one Derivatives.","The Journal of organic chemistry","2018","83","17","9929","9938","10.1021/acs.joc.8b01357","","","0.71073","MoKα","","0.046","0.0394","","","0.0871","0.09","","","","","","1.019","","","","has coordinates","226583","2020-10-21","18:00:00",""
"4035097","5.777","0.0001","16.7111","0.0004","17.372","0.0004","90","","90","","90","","1677.09","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","","1.54178","CuKα","","0.0522","0.0387","","","0.0936","0.1019","","","","","","1","","","","has coordinates","226584","2020-10-21","18:00:00",""
"4035098","12.6789","0.0002","15.7548","0.0003","27.245","0.0003","90","","90","","90","","5442.29","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C216 H176 Cl24 F16 O16 Rh8 S16 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","x-ray","1.54178","CuKα","","0.0371","0.0314","","","0.0724","0.0763","","","","","","1.044","","","","has coordinates","226585","2020-10-21","18:00:00",""
"4035099","7.9914","0.0007","15.5578","0.0013","18.6615","0.0015","90","","94.926","0.001","90","","2311.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl F2 O3 S -","- C26 H21 Cl F2 O3 S -","- C104 H84 Cl4 F8 O12 S4 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.0935","0.0493","","","0.1113","0.1308","","","","","","1.014","","","","has coordinates","226586","2020-10-21","18:00:00",""
"4035100","13.6597","0.0013","23.06","0.002","12.208","0.0012","90","","111.881","0.003","90","","3568.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F N O8 S3 -","- C39 H34 F N O8 S3 -","- C156 H136 F4 N4 O32 S12 -","4","1","","Zhu, Yi-Long; Zhu, Chi-Fan; Zhou, Peng; Hao, Wen-Juan; Wang, De-Cai; Tu, Shu-Jiang; Jiang, Bo","Pd(II)-Catalyzed Carbonyl-Directing Activation of Alkenes: Selective Fluorosulfonylation and Aminosulfonylation of 1,7-Enynes.","The Journal of organic chemistry","2018","83","17","9641","9653","10.1021/acs.joc.8b00994","","","0.71073","MoKα","","0.1141","0.0519","","","0.1182","0.1453","","","","","","1.012","","","","has coordinates","226588","2020-10-21","18:00:00",""
"4035101","5.3809","0.0002","9.3938","0.0003","20.0221","0.0006","90","","90","","90","","1012.06","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0295","0.0266","","","0.064","0.0648","","","","","","1.057","","","","has coordinates","226589","2020-10-21","18:00:00",""
"4035102","30.0065","0.0015","6.5012","0.0003","13.4207","0.0007","90","","108.954","0.001","90","","2476.1","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H15 F N2 O7 -","- C10 H15 F N2 O7 -","- C80 H120 F8 N16 O56 -","8","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0451","0.0449","","","0.1283","0.1285","","","","","","1.159","","","","has coordinates","226590","2020-10-21","18:00:00",""
"4035103","6.6418","0.0002","9.5458","0.0002","21.8207","0.0005","90","","90","","90","","1383.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.54178","CuKα","","0.0319","0.0317","","","0.0877","0.088","","","","","","1.053","","","","has coordinates","226591","2020-10-21","18:00:00",""
"4035104","5.9682","0.0002","7.005","0.0002","13.9039","0.0005","95.289","0.001","93.695","0.001","91.165","0.001","577.4","0.03","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C10 H13 F N2 O6 -","- C10 H13 F N2 O6 -","- C20 H26 F2 N4 O12 -","2","2","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0282","0.0279","","","0.0726","0.0728","","","","","","1.047","","","","has coordinates","226592","2020-10-21","18:00:00",""
"4035105","7.5688","0.0006","16.8412","0.0015","9.6681","0.0008","90","","90","","90","","1232.37","0.18","100","","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","yazh-K131","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0859","0.0752","","","0.2023","0.213","","","","","","1.111","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035106","17.8369","0.0004","7.1622","0.0002","23.2165","0.0005","90","","108.186","0.0009","90","","2817.78","0.12","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yazh-121D","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C136 H120 N24 O8 -","8","2","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0455","0.0408","","","0.0993","0.1025","","","","","","1.053","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035107","22.6168","0.0009","7.8822","0.0003","7.0176","0.0003","90","","90.1627","0.0017","90","","1251.02","0.09","100","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","YAZU-K333","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Pillaiyar, Thanigaimalai; Gorska, Ewelina; Schnakenburg, Gregor; Müller, Christa E","General Synthesis of Unsymmetrical 3,3'-(Aza)diindolylmethane Derivatives.","The Journal of organic chemistry","2018","83","17","9902","9913","10.1021/acs.joc.8b01349","","x-ray","1.54178","CuKα","","0.0444","0.0424","","","0.1065","0.1084","","","","","","1.087","","","","has coordinates","226593","2020-10-21","18:00:00",""
"4035108","10.9512","0.0005","11.7033","0.0006","17.3015","0.0009","78.412","0.002","74.5815","0.0018","73.6581","0.0018","2032.14","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H42 N6 O4 -","- C51 H42 N6 O4 -","- C102 H84 N12 O8 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","0.71073","MoKα","","0.0733","0.0541","","","0.1159","0.1324","","","","","","1.036","","","","has coordinates,has disorder","226594","2020-10-21","18:00:00",""
"4035109","9.5189","0.0007","13.8293","0.0009","20.6264","0.0014","97.419","0.003","102.316","0.003","109.689","0.003","2437.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50.42 Cl1.58 N8 O2.21 -","- C58 H50.424 Cl1.576 N8 O2.212 -","- C116 H100.848 Cl3.152 N16 O4.424 -","2","1","","Luciano, Michael P.; Akhigbe, Joshua; Ding, Jiaming; Thuita, Damaris; Hamchand, Randy; Zeller, Matthias; Brückner, Christian","An Alternate Route of Transforming meso-Tetraarylporphyrins to Porpholactams, and Their Conversion to Amine-Functionalized Imidazoloporphyrins.","The Journal of organic chemistry","2018","83","17","9619","9630","10.1021/acs.joc.8b00790","","","1.54178","CuKα","","0.0865","0.0725","","","0.1829","0.1914","","","","","","1.037","","","","has coordinates,has disorder","226595","2020-10-21","18:00:00",""
"4035110","12.0586","0.0006","6.1772","0.0003","20.5745","0.001","90","","102.608","0.0007","90","","1495.6","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C76 H88 O8 -","4","1","","Bartolo, Nicole D.; Woerpel, K. A.","Mechanistic Insight into Additions of Allylic Grignard Reagents to Carbonyl Compounds.","The Journal of organic chemistry","2018","83","17","10197","10206","10.1021/acs.joc.8b01430","","","0.71073","MoKα","","0.0452","0.0402","","","0.1054","0.1095","","","","","","1.036","","","","has coordinates","226596","2020-10-21","18:00:00",""
"4035111","16.0527","0.0009","8.4274","0.0004","5.919","0.0003","90","","90","","90","","800.74","0.07","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0413","0.0411","","","0.1038","0.1041","","","","","","1.076","","","","has coordinates","226597","2020-10-21","18:00:00",""
"4035112","11.3565","0.0002","11.3565","0.0002","9.147","0.0002","90","","90","","120","","1021.64","0.03","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C48 H54 O9 -","3","0.5","","Pilevar, Afsaneh; Hosseini, Abolfazl; Šekutor, Marina; Hausmann, Heike; Becker, Jonathan; Turke, Kevin; Schreiner, Peter R.","Tuning the Reactivity of Peroxo Anhydrides for Aromatic C-H Bond Oxidation.","The Journal of organic chemistry","2018","83","17","10070","10079","10.1021/acs.joc.8b01392","","","1.54178","CuKα","","0.0299","0.0298","","","0.0779","0.078","","","","","","1.091","","","","has coordinates","226598","2020-10-21","18:00:00",""
"4035113","8.4084","0.0008","13.5716","0.0013","15.4024","0.0017","90","","90","","90","","1757.7","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N O2 S -","- C19 H20 F N O2 S -","- C76 H80 F4 N4 O8 S4 -","4","1","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0669","0.0447","","","0.0883","0.1008","","","","","","1.04","","","","has coordinates","226599","2020-10-21","18:00:00",""
"4035114","10.9996","0.0005","44.458","0.002","11.2795","0.0005","90","","108.675","0.002","90","","5225.5","0.4","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","4","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0575","0.0491","","","0.1299","0.1369","","","","","","1.033","","","","has coordinates","226600","2020-10-21","18:00:00",""
"4035115","11.96003","0.00019","17.9032","0.0002","28.5501","0.0004","90","","90","","90","","6113.23","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H79 Cl3 N6 O5 -","- C62 H79 Cl3 N6 O5 -","- C248 H316 Cl12 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0747","0.0709","","","0.21","0.2162","","","","","","1.011","","","","has coordinates","226601","2020-10-21","18:00:00",""
"4035116","12.6557","0.0002","17.4453","0.0003","29.2029","0.0005","90","","90","","90","","6447.49","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N6 O5 -","- C62 H78 N6 O5 -","- C248 H312 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0461","0.0423","","","0.1084","0.1116","","","","","","1.029","","","","has coordinates","226602","2020-10-21","18:00:00",""
"4035117","12.3901","0.0015","12.9753","0.0015","15.7398","0.0015","81.13","0.003","81.169","0.003","66.314","0.004","2277.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 F6 N4 O0 -","- C52 H42 F6 N4 -","- C104 H84 F12 N8 -","2","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.1667","0.0897","","","0.2694","0.3493","","","","","","1.057","","","","has coordinates","226603","2020-10-21","18:00:00",""
"4035118","13.8214","0.0002","16.8165","0.0002","16.3527","0.0003","90","","109.358","0.002","90","","3585.94","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 -","- C46 H30 F6 N4 -","- C184 H120 F24 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0464","0.042","","","0.1086","0.1129","","","","","","1.033","","","","has coordinates","226604","2020-10-21","18:00:00",""
"4035119","13.906","0.0002","16.6094","0.0002","16.5593","0.0002","90","","108.176","0.002","90","","3633.86","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 F6 N4 O2 -","- C46 H30 F6 N4 O2 -","- C184 H120 F24 N16 O8 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","x-ray","1.54184","CuKα","","0.0522","0.0439","","","0.1161","0.1248","","","","","","1.026","","","","has coordinates","226605","2020-10-21","18:00:00",""
"4035120","13.808","0.003","16.82","0.003","16.316","0.003","90","","108.35","0.03","90","","3596.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N4 -","- C44 H24 F8 N4 -","- C176 H96 F32 N16 -","4","1","","Wang, Xu; Li, Jiawei; Huang, Yubing; Zhu, Jiayi; Hu, Rongrong; Wu, Wanqing; Jiang, Huanfeng","Facile Synthesis of π-Conjugated Quinazoline-Substituted Ethenes from 2-Ethynylanilines and Benzonitriles under Transition-Metal-Free Conditions.","The Journal of organic chemistry","2018","83","17","10453","10464","10.1021/acs.joc.8b01494","","","0.71073","MoKα","","0.096","0.066","","","0.2112","0.2351","","","","","","1.071","","","","has coordinates","226606","2020-10-21","18:00:00",""
"4035121","12.82","0.005","6.017","0.001","14.764","0.005","90","","104.3","0.03","90","","1103.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B N -","- C11 H18 B N -","- C44 H72 B4 N4 -","4","1","","Andresini, Michael; De Angelis, Sonia; Uricchio, Antonella; Visaggio, Angelica; Romanazzi, Giuseppe; Ciriaco, Fulvio; Corriero, Nicola; Degennaro, Leonardo; Luisi, Renzo","Azetidine-Borane Complexes: Synthesis, Reactivity, and Stereoselective Functionalization.","The Journal of organic chemistry","2018","83","17","10221","10230","10.1021/acs.joc.8b01441","","","0.71073","MoKα","","0.1045","0.0701","","","0.1986","0.2311","","","","","","1.004","","","","has coordinates","226607","2020-10-21","18:00:00",""
"4035122","8.7597","0.0005","10.678","0.0006","11.1484","0.0007","94.022","0.002","98.197","0.002","113.638","0.002","936.16","0.1","180","2","180.45","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F3 O5 S -","- C21 H16 F3 O5 S -","- C42 H32 F6 O10 S2 -","2","1","","Dmytrejchuk, Ana M.; Jackson, Sydney N.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","Regioselective Synthesis of Unsymmetric Tetra- and Pentasubstituted Pyrenes with a Strategy for Primary C-Alkylation at the 2-Position.","The Journal of organic chemistry","2018","83","17","10660","10667","10.1021/acs.joc.8b01491","","","0.71073","MoKα","","0.0895","0.0819","","","0.2095","0.217","","","","","","1.0486","","","","has coordinates","226608","2020-10-21","18:00:00",""
"4035123","13.2455","0.001","13.4892","0.0009","16.3343","0.0013","101.966","0.005","106.648","0.004","108.546","0.004","2503.7","0.4","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H40 O9 -","- C76 H40 O9.001 -","- C152 H80 O18.002 -","2","1","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.1352","0.094","","","0.3256","0.3533","","","","","","1.06","","","","has coordinates,has disorder","226609","2020-10-21","18:00:00",""
"4035124","11.8424","0.0003","11.8424","0.0003","23.682","0.0007","90","","90","","120","","2876.26","0.13","120","0.2","120","0.2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C68 H24 O8 -","- C68 H24 O8 -","- C204 H72 O24 -","3","0.5","","Ueno, Hiroshi; Uchiyama, Kouya; Ma, Yue; Watanabe, Keita; Yoza, Kenji; Matsuo, Yutaka; Moriyama, Hiroshi","Octaalkoxyfullerenes: Widely LUMO-Tunable C<sub>2 v</sub>-Symmetric Fullerene Derivatives.","The Journal of organic chemistry","2018","83","17","10655","10659","10.1021/acs.joc.8b01485","","","1.54178","CuKα","","0.0502","0.0389","","","0.0823","0.0858","","","","","","1.064","","","","has coordinates","226610","2020-10-21","18:00:00",""
"4035125","18.782","0.002","17.2873","0.0018","19.209","0.002","90","","90.113","0.002","90","","6237","1.1","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H106 N6 O11 -","- C58 H104 N6 O10.9999 -","- C232 H416 N24 O43.9996 -","4","1","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.1363","0.072","","","0.1718","0.2018","","","","","","1.015","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035126","22.011","0.0007","22.011","0.0007","42.9761","0.0014","90","","90","","120","","18031.7","1","100","2","100","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C229 H355 Cl3 N30 O40 P4 -","- C229 H355 Cl3 N30 O40 P4 -","- C687 H1065 Cl9 N90 O120 P12 -","3","0.166667","","Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures.","The Journal of organic chemistry","2018","83","17","10398","10408","10.1021/acs.joc.8b01481","","","0.71073","MoKα","","0.0792","0.055","","","0.1422","0.1612","","","","","","1.043","","","","has coordinates,has disorder","226611","2020-10-21","18:00:00",""
"4035127","6.84078","0.00007","17.53746","0.00016","23.1555","0.0003","90","","93.7583","0.001","90","","2771.99","0.05","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 B2 F0.25 N4 O4 S0.25 Si -","- C30 H28 B2 F4 N4 S -","- C120 H112 B8 F16 N16 S4 -","4","1","","Arroyo-Córdoba, Ismael J; Sola-Llano, Rebeca; Epelde-Elezcano, Nerea; Arbeloa, Iñigo López; Martínez-Martínez, Virginia; Peña-Cabrera, Eduardo","Fully Functionalizable β,β'-BODIPY Dimer: Synthesis, Structure, and Photophysical Signatures.","The Journal of organic chemistry","2018","83","17","10186","10196","10.1021/acs.joc.8b01429","","","1.54184","CuKα","","0.0398","0.0372","","","0.1006","0.1032","","","","","","1.043","","","","has coordinates","226612","2020-10-21","18:00:00",""
"4035128","14.3105","0.0006","18.8797","0.0008","24.8734","0.0011","90","","90","","90","","6720.2","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C43 H42 O -","- C43 H42 O -","- C344 H336 O8 -","8","1","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Hazra, Raju; Anand, Ramasamy Vijaya","1,6-Hydroolefination and Cascade Cyclization of p-Quinone Methides with Styrenes: Total Synthesis of (±)-Isopaucifloral F.","The Journal of organic chemistry","2018","83","17","10107","10119","10.1021/acs.joc.8b01401","","x-ray","0.71073","MoKα","","0.0575","0.0445","","","0.1128","0.1299","","","","","","1.065","","","","has coordinates","226613","2020-10-21","18:00:00",""
"4035129","4.873","","13.275","","17.609","","100","","90.58","","91.12","","1121.48","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O S -","- C13 H9 N3 O S -","- C52 H36 N12 O4 S4 -","4","2","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0677","0.0447","","","0.1326","0.1515","","","","","","1.238","","","","has coordinates","226614","2020-10-21","18:00:00",""
"4035130","7.2678","0.0008","24.682","0.003","6.803","0.0009","90","","102.275","0.009","90","","1192.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O -","- C15 H11 N3 O -","- C60 H44 N12 O4 -","4","1","","Nguyen, Yen H.; Lampkin, Bryan J.; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; VanVeller, Brett","Open-Resonance-Assisted Hydrogen Bonds and Competing Quasiaromaticity.","The Journal of organic chemistry","2018","83","17","9850","9857","10.1021/acs.joc.8b01331","","","1.54178","CuKα","","0.0549","0.0406","","","0.1062","0.1294","","","","","","0.557","","","","has coordinates","226615","2020-10-21","18:00:00",""
"4035131","10.0592","0.0006","19.9716","0.0009","9.5035","0.0005","90","","117.478","0.007","90","","1693.85","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N O2 -","- C22 H18 N O2 -","- C88 H72 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54184","CuKα","","0.0688","0.0638","","","0.1785","0.1847","","","","","","1.062","","","","has coordinates","226616","2020-10-21","18:00:00",""
"4035132","12.4405","0.0003","7.186","0.0001","18.7293","0.0004","90","","97.191","0.002","90","","1661.18","0.06","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Xu, Zhong-Qi; Wang, Chao; Li, Lin; Duan, Lili; Li, Yue-Ming","Construction of 3,4-Dihydroisoquinolinones and Indanones via DTBP-Promoted Oxidative Coupling of N-Allylbenzamides with Aromatic Aldehydes.","The Journal of organic chemistry","2018","83","17","9718","9728","10.1021/acs.joc.8b01242","","x-ray","1.54178","CuKα","","0.0521","0.0502","","","0.1315","0.1327","","","","","","1.073","","","","has coordinates","226617","2020-10-21","18:00:00",""
"4035133","9.8225","0.0003","13.8254","0.0005","15.3324","0.0005","90","","90","","90","","2082.14","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0693","0.0717","","","","","","1.009","","","","has coordinates","226618","2020-10-21","18:00:00",""
"4035134","19.982","0.001","7.7011","0.0004","13.3717","0.0006","90","","99.959","0.004","90","","2026.68","0.17","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H25 N O3 S2 -","- C20 H25 N O3 S2 -","- C80 H100 N4 O12 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.027","0.026","","","0.062","0.0625","","","","","","1.05","","","","has coordinates","226619","2020-10-21","18:00:00",""
"4035135","10.7835","0.0003","24.3459","0.0005","11.838","0.0003","90","","115.986","0.004","90","","2793.67","0.15","294.7","0.5","294.7","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C68 H63.97 O12 -","- C68 H64 O12 -","- C136 H128 O24 -","2","1","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0723","0.0679","","","0.1837","0.1933","","","","","","1.029","","","","has coordinates,has disorder","226620","2020-10-21","18:00:00",""
"4035136","10.8962","0.0004","16.0389","0.0004","11.6123","0.0003","90","","104.434","0.003","90","","1965.34","0.1","295.77","0.11","295.77","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 -","- C24 H20 O6 -","- C96 H80 O24 -","4","2","","Zhang, Jianlin; Liu, Xiaohua; Guo, Songsong; He, Changqiang; Xiao, Wanlong; Lin, Lili; Feng, Xiaoming","Enantioselective Formal [4 + 2] Annulation of ortho-Quinone Methides with ortho-Hydroxyphenyl α,β-Unsaturated Compounds.","The Journal of organic chemistry","2018","83","17","10175","10185","10.1021/acs.joc.8b01425","","x-ray","1.54184","CuKα","","0.0539","0.0511","","","0.1334","0.1377","","","","","","1.026","","","","has coordinates","226621","2020-10-21","18:00:00",""
"4035137","14.5703","0.0004","8.1574","0.0003","14.7938","0.0005","90","","104.598","0.003","90","","1701.57","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54178","CuKα","","0.0602","0.0489","","","0.126","0.1371","","","","","","1.06","","","","has coordinates","226622","2020-10-21","18:00:00",""
"4035138","17.1424","0.0004","5.80416","0.00017","17.8991","0.0004","90","","104.562","0.002","90","","1723.7","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Chai, Yonghai; Zhou, JinJin; Wu, Yanbin; Feng, Yingle; Wang, Panru; Chen, Yange; Wang, Xinying; Zhao, Beibei; Zhang, Qi","Organo-Catalyzed Regio- and Geometry-Specific Construction of β-Hydroxyl-α-vinyl Carboxylic Esters: Substrate Scope, Mechanistic Insights, and Applications.","The Journal of organic chemistry","2018","83","17","10476","10486","10.1021/acs.joc.8b01510","","","1.54184","CuKα","","0.0432","0.037","","","0.1004","0.1059","","","","","","1.04","","","","has coordinates","226623","2020-10-21","18:00:00",""
"4035139","7.7647","0.0007","11.6418","0.0009","23.985","0.002","90","","90","","90","","2168.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.05","0.0423","","","0.1097","0.1154","","","","","","1.062","","","","has coordinates","226624","2020-10-21","18:00:00",""
"4035140","6.8209","0.0007","8.7627","0.001","18.8032","0.0019","90","","99.61","0.004","90","","1108.1","0.2","299","2","299","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 N0 O7 -","- C23 H28 O7 -","- C46 H56 O14 -","2","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.0888","0.0626","","","0.1509","0.1668","","","","","","1.017","","","","has coordinates","226625","2020-10-21","18:00:00",""
"4035141","10.4407","0.0005","13.4314","0.0004","16.6407","0.0007","90","","90","","90","","2333.58","0.16","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","1.54184","CuKα","","0.0594","0.0461","","","0.1071","0.1182","","","","","","1.046","","","","has coordinates","226626","2020-10-21","18:00:00",""
"4035142","10.666","0.0004","18.7662","0.0007","12.2143","0.0004","90","","112.318","0.001","90","","2261.68","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C96 H116 N4 O28 -","4","1","","Modugu, Nagi Reddy; Mehta, Goverdhan","Synthesis of the Polyoxygenated Cyclohexanoid Core of Bioactive Glycosides Xylosmin and Flacourtosides E and F.","The Journal of organic chemistry","2018","83","17","10573","10579","10.1021/acs.joc.8b01389","","","0.71073","MoKα","","0.089","0.0547","","","0.1282","0.145","","","","","","1.017","","","","has coordinates","226627","2020-10-21","18:00:00",""
"4035143","16.9246","0.0007","7.3318","0.0003","12.7929","0.0006","90","","108.147","0.002","90","","1508.48","0.11","101","2","101","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Marshal Law/Mitchell ether from acetone","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0385","0.0343","","","0.0839","0.0872","","","","","","1.036","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035144","18.5504","0.0009","8.0039","0.0004","11.6981","0.0006","90","","96.643","0.003","90","","1725.22","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Zwick/Mitchell II-2 f7-11","","","- C17 H28 O3 Si -","- C17 H28 O3 Si -","- C68 H112 O12 Si4 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0619","0.0419","","","0.0893","0.0953","","","","","","1.035","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035145","7.0888","0.0003","8.1527","0.0003","18.2143","0.0008","85.311","0.003","81.831","0.003","67.988","0.003","965.56","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Zwick/TAM II-4 f8-13","","","- C18 H30 O5 Si -","- C18 H30 O5 Si -","- C36 H60 O10 Si2 -","2","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.049","0.0383","","","0.1023","0.1085","","","","","","1.089","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035146","8.392","0.002","19.953","0.006","10.911","0.003","90","","94.638","0.005","90","","1821","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Law/Mitchell CML-II-66","","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0526","0.0383","","","0.0869","0.0943","","","","","","1.026","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035147","17.855","0.003","7.9583","0.0015","18.76","0.003","90","","90","","90","","2665.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","CML-II-141 from acetone","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0442","0.0358","","","0.088","0.0934","","","","","","1.032","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035148","7.6447","0.0003","10.7486","0.0003","16.9041","0.0005","90","","99.104","0.002","90","","1371.51","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CML-II-142","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Kaufman, Riley H.; Law, Chunyin M.; Simanis, Justin A.; Woodall, Erica L.; Zwick, 3rd, Christian R; Wedler, Henry B.; Wendelboe, Paul; Hamaker, Christopher G.; Goodell, John R.; Tantillo, Dean J.; Mitchell, T. Andrew","Oxidopyrylium-Alkene [5 + 2] Cycloaddition Conjugate Addition Cascade (C<sup>3</sup>) Sequences: Scope, Limitation, and Computational Investigations.","The Journal of organic chemistry","2018","83","17","9818","9838","10.1021/acs.joc.8b01322","","x-ray","0.71073","MoKα","","0.0438","0.0356","","","0.0829","0.0881","","","","","","1.02","","","","has coordinates","226628","2020-10-21","18:00:00",""
"4035149","16.181","0.006","4.436","0.0011","15.689","0.004","90","","110.85","0.03","90","","1052.4","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N O -","- C14 H10 N O -","- C56 H40 N4 O4 -","4","1","","Banik, Ananya; Paira, Rupankar; Shaw, Bikash Kumar; Vijaykumar, Gonela; Mandal, Swadhin K.","Accessing Heterobiaryls through Transition-Metal-Free C-H Functionalization.","The Journal of organic chemistry","2018","83","6","3236","3244","10.1021/acs.joc.8b00140","","x-ray","0.71073","MoKα","","0.1802","0.0887","","","0.2296","0.3376","","","","","","0.7747","","","","has coordinates","226629","2020-10-21","18:00:00",""
"4035150","5.7105","0.0001","16.0865","0.0003","21.9222","0.0004","90","","90","","90","","2013.82","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S -","- C22 H24 O4 S -","- C88 H96 O16 S4 -","4","1","","Fulton, Jennifer L.; Horwitz, Matthew A.; Bruske, Ericka L.; Johnson, Jeffrey S.","Asymmetric Organocatalytic Sulfa-Michael Addition to Enone Diesters.","The Journal of organic chemistry","2018","83","6","3385","3391","10.1021/acs.joc.8b00007","","","1.54178","CuKα","","0.0332","0.0297","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","226630","2020-10-21","18:00:00",""
"4035151","8.1778","0.0014","19.099","0.003","11.0352","0.0019","90","","110.571","0.0019","90","","1613.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I2 P S3 -","- C14 H7 I2 P S3 -","- C56 H28 I8 P4 S12 -","4","1","","Higashino, Tomohiro; Ishida, Keiichi; Satoh, Takaharu; Matano, Yoshihiro; Imahori, Hiroshi","Phosphole-Thiophene Hybrid: A Dual Role of Dithieno[3,4- b:3',4'- d]phosphole as Electron Acceptor and Electron Donor.","The Journal of organic chemistry","2018","83","6","3397","3402","10.1021/acs.joc.8b00030","","","0.7107","MoKα","","0.0228","0.0189","","","0.0395","0.04","","","","","","1.016","","","","has coordinates","226631","2020-10-21","18:00:00",""
"4035152","12.2856","0.0004","23.0002","0.0006","13.9552","0.0004","90","","101.088","0.002","90","","3869.7","0.2","111","2","111","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H19 F4 O0.5 -","- C25.5 H19 F4 O0.5 -","- C204 H152 F32 O4 -","8","2","","Shen, Bin; Geiger, Thomas; Einholz, Ralf; Reicherter, Florian; Schundelmeier, Simon; Maichle-Mössmer, Cäcilia; Speiser, Bernd; Bettinger, Holger F.","Bridging the Gap between Pentacene and Perfluoropentacene: Synthesis and Characterization of 2,3,9,10-Tetrafluoropentacene in the Neutral, Cationic, and Dicationic States.","The Journal of organic chemistry","2018","83","6","3149","3158","10.1021/acs.joc.7b03241","","","0.71073","MoKα","","0.067","0.047","","","0.0968","0.1074","","","","","","0.934","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035153","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0303","0.0281","","","0.067","0.0678","","","","","","1.089","","","","has coordinates,has disorder","226633","2020-10-21","18:00:00",""
"4035154","10.4408","0.0007","7.517","0.0006","14.8019","0.0011","90","","110.65","","90","","1087.07","0.14","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C44 H48 Cl4 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0581","0.0487","","","0.1312","0.1353","","","","","","1.069","","","","has coordinates","226634","2020-10-21","18:00:00",""
"4035155","7.4007","0.0007","21.7382","0.0018","7.488","0.0009","90","","105.323","0.012","90","","1161.8","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl2 N O2 -","- C11 H11 Cl2 N O2 -","- C44 H44 Cl8 N4 O8 -","4","1","","Bisz, Elwira; Piontek, Aleksandara; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Barriers to Rotation in ortho-Substituted Tertiary Aromatic Amides: Effect of Chloro-Substitution on Resonance and Distortion.","The Journal of organic chemistry","2018","83","6","3159","3163","10.1021/acs.joc.8b00019","","","0.71073","MoKα","","0.0362","0.0322","","","0.0879","0.0899","","","","","","1.07","","","","has coordinates","226635","2020-10-21","18:00:00",""
"4035156","9.3307","0.0006","13.3778","0.0009","15.3562","0.001","90","","90","","90","","1916.8","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N Se -","- C23 H25 N Se -","- C92 H100 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","1.54187","CuKα","","0.0293","0.0262","","","0.059","0.0604","","","","","","1.059","","","","has coordinates","226636","2020-10-21","18:00:00",""
"4035157","5.194","0.0002","10.453","0.0005","23.0032","0.0011","90","","90","","90","","1248.91","0.1","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C40 H32 Cl8 N8 O24 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","0.71073","MoKα","","0.0418","0.0327","","","0.0663","0.0695","","","","","","1.026","","","","has coordinates","226637","2020-10-21","18:00:00",""
"4035158","14.051","0.003","13.168","0.004","25.958","0.007","90","","96.49","0.02","90","","4772","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 B F N2 O2 -","- C15 H18 B F N2 O2 -","- C180 H216 B12 F12 N24 O24 -","12","3","","Levchenko, Vitalina; Dmytriv, Yurii V.; Tymtsunik, Andriy V.; Liubchak, Konstantin; Rudnichenko, Alexander; Melnyk, Anton V.; Veselovych, Stanislav Y.; Borodulin, Yurii V.; Otsalyuk, Oleksandr M.; Tolmachev, Andrei A.; Mykhailiuk, Pavel K.","Preparation of 5-Fluoropyrazoles from Pyrazoles and N-Fluorobenzenesulfonimide (NFSI).","The Journal of organic chemistry","2018","83","6","3265","3274","10.1021/acs.joc.8b00199","","","0.71073","MoKα","","0.2324","0.0797","","","0.179","0.2299","","","","","","0.898","","","","has coordinates","226638","2020-10-21","18:00:00",""
"4035159","8.349","0.003","12.98","0.004","19.618","0.007","99.189","0.016","95.609","0.017","108.607","0.014","1963.7","1.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36.01 H54 N14 O5 -","- C36 H54 N14 O5 -","- C72 H108 N28 O10 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0704","0.0654","","","0.1639","0.168","","","","","","1.091","","","","has coordinates,has disorder","226639","2020-10-21","18:00:00",""
"4035160","9.626","0.003","14.735","0.004","20.914","0.006","90","","89.996","0.004","90","","2966.4","1.5","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H62 Cl2 N20 O8 -","- C53 H62 Cl2 N20 O8 -","- C106 H124 Cl4 N40 O16 -","2","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1111","0.092","","","0.2218","0.2404","","","","","","1.08","","","","has coordinates,has disorder","226640","2020-10-21","18:00:00",""
"4035161","23.38","0.005","15.66","0.003","17.82","0.004","90","","90","","90","","6524","2","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C28 H28 Cl2 N10 O6 -","- C28 H28 Cl2 N10 O6 -","- C224 H224 Cl16 N80 O48 -","8","2","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.1089","0.0854","","","0.1744","0.1907","","","","","","1.081","","","","has coordinates","226641","2020-10-21","18:00:00",""
"4035162","20.197","0.004","21.108","0.004","10.26","0.002","90","","90","","90","","4374","1.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H34 Cl2 N12 O4 -","- C30 H34 Cl2 N12 O4 -","- C120 H136 Cl8 N48 O16 -","4","0.5","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","","0.71073","MoKα","","0.0588","0.0587","","","0.1696","0.1696","","","","","","1.138","","","","has coordinates","226642","2020-10-21","18:00:00",""
"4035163","14.1376","0.0005","12.3877","0.0005","18.7603","0.0007","90","","94.69","0.004","90","","3274.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 N11 O7 -","- C30 H37 N11 O7 -","- C120 H148 N44 O28 -","4","1","","Liang, Dong-Dong; Wang, Mei-Xiang","Synthesis and Structure of Functionalized Homo Heteracalix[2]arene[2]triazines: Effect of All Heteroatom Bridges on Macrocyclic Conformation.","The Journal of organic chemistry","2018","83","6","3316","3324","10.1021/acs.joc.8b00284","","x-ray","1.54184","CuKα","","0.0847","0.0655","","","0.1748","0.1948","","","","","","1.042","","","","has coordinates,has disorder","226643","2020-10-21","18:00:00",""
"4035164","10.26","0.002","10.6085","0.0015","11.2369","0.0017","94.317","0.016","115.917","0.016","115.692","0.014","936.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","methoxyphenyl phenylbenzo selenopheno selenophene","3-(4-methoxyphenyl)-2-phenylbenzo[b]selenopheno[3,2-d]selenophene","","- C23 H16 O Se2 -","- C23 H16 O Se2 -","- C46 H32 O2 Se4 -","2","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","1.54178","CuKα","","0.0292","0.029","","","0.0738","0.0739","","","","","","1.119","","","","has coordinates","226644","2020-10-21","18:00:00",""
"4035165","29.657","0.004","8.1546","0.0012","21.065","0.003","90","","129.27","0.004","90","","3943.9","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole","","- C25 H17 N Se2 -","- C25 H17 N Se2 -","- C200 H136 N8 Se16 -","8","1","","Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.","SeCl<sub>2</sub>-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.","The Journal of organic chemistry","2018","83","6","3252","3264","10.1021/acs.joc.8b00166","","","0.71073","MoKα","","0.045","0.0304","","","0.0743","0.0802","","","","","","1.029","","","","has coordinates","226645","2020-10-21","18:00:00",""
"4035166","14.8678","0.0006","8.0055","0.0003","11.3689","0.0005","90","","100.528","0.004","90","","1330.39","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","","0.71073","MoKα","","0.0571","0.0432","","","0.0894","0.0958","","","","","","1.036","","","","has coordinates","226646","2020-10-21","18:00:00",""
"4035167","6.6661","0.0003","14.0379","0.0006","10.8986","0.0005","90","","98.965","0.004","90","","1007.41","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N3 O -","- C12 H9 N3 O -","- C48 H36 N12 O4 -","4","1","","Mikhailov, Kirill I.; Galenko, Ekaterina E.; Galenko, Alexey V.; Novikov, Mikhail S.; Ivanov, Alexander Yu; Starova, Galina L.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 5-Chloroisoxazoles to 2 H-Azirine-2-carbonyl Chlorides as a Key Stage in the Synthesis of Pyrazole-Nitrogen Heterocycle Dyads.","The Journal of organic chemistry","2018","83","6","3177","3187","10.1021/acs.joc.8b00069","","x-ray","1.54184","CuKα","","0.0477","0.0394","","","0.0984","0.1054","","","","","","1.068","","","","has coordinates","226647","2020-10-21","18:00:00",""
"4035168","13.8012","0.0004","14.1127","0.0005","15.8686","0.0006","90.852","0.002","104.066","0.002","103.825","0.002","2902.49","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15.25 H10 I N O1.75 -","- C15.25 H10 I N O1.75 -","- C122 H80 I8 N8 O14 -","8","4","","Brahmchari, Dhirendra; Verma, Akhilesh K.; Mehta, Saurabh","Regio- and Stereoselective Synthesis of Isoindolin-1-ones through BuLi-Mediated Iodoaminocyclization of 2-(1-Alkynyl)benzamides.","The Journal of organic chemistry","2018","83","6","3339","3347","10.1021/acs.joc.7b02903","","","0.71073","MoKα","","0.0838","0.0501","","","0.1282","0.1562","","","","","","1.022","","","","has coordinates,has disorder","226648","2020-10-21","18:00:00",""
"4035169","8.237","0.0002","10.4144","0.0003","8.7895","0.0003","90","","102.906","0.001","90","","734.95","0.04","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-831","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.046","0.0397","","","0.0999","0.1032","","","","","","1.069","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035170","7.2928","0.0004","11.7582","0.0007","9.4213","0.0005","90","","112.645","0.002","90","","745.6","0.07","103","2","103","2","","","","","","","","3","P 1 21 1","P 2yb","4","BMW-803","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0378","0.0332","","","0.0743","0.0766","","","","","","1.078","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035171","10.3207","0.0002","13.0112","0.0003","24.0063","0.0006","90","","90","","90","","3223.68","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","673","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","2","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0436","0.0398","","","0.1032","0.1057","","","","","","1.04","","","","has coordinates,has disorder","226649","2020-10-21","18:00:00",""
"4035172","22.4524","0.0008","6.2502","0.0002","10.4159","0.0004","90","","102.201","0.0013","90","","1428.67","0.09","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","785","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0329","0.0307","","","0.0703","0.0714","","","","","","1.082","","","","has coordinates","226649","2020-10-21","18:00:00",""
"4035173","7.3367","0.0007","12.348","0.0012","8.6496","0.0009","90","","105.847","0.001","90","","753.82","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 F3 N2 O -","- C7 H5 F3 N2 O -","- C28 H20 F12 N8 O4 -","4","1","","Saunders, Carla; Khaled, Mohammad B.; Weaver, 3rd, Jimmie D; Tantillo, Dean J.","Prediction of <sup>19</sup>F NMR Chemical Shifts for Fluorinated Aromatic Compounds.","The Journal of organic chemistry","2018","83","6","3220","3225","10.1021/acs.joc.8b00104","","","0.71073","MoKα","","0.0514","0.04","","","0.104","0.1124","","","","","","1.056","","","","has coordinates","226650","2020-10-21","18:00:00",""
"4035174","8.2534","0.0004","8.9301","0.0005","11.6896","0.0007","90","","90","","90","","861.57","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,3S,9S,12S)-5,7,10-trioxatricyclo[7.3.0.0^3,12^]dodecan-11-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71075","MoKα","","0.0952","0.0793","","","0.2121","0.2285","","","","","","1.103","","","","has coordinates","226651","2020-10-21","18:00:00",""
"4035175","10.1332","0.0006","10.5209","0.0005","20.5621","0.001","77.223","0.003","81.352","0.004","89.909","0.003","2112.41","0.19","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 F3 N O -","- C27 H22 F3 N O -","- C108 H88 F12 N4 O4 -","4","2","","Nguyen, Alex L.; Khatri, Hari R.; Woods, James R.; Baldwin, Cassidy S.; Fronczek, Frank R.; Colby, David A.","Magnesium-Promoted Additions of Difluoroenolates to Unactivated Imines.","The Journal of organic chemistry","2018","83","6","3109","3118","10.1021/acs.joc.7b03014","","","1.54184","CuKα","","0.1818","0.1155","","","0.3068","0.3533","","","","","","1.032","","","","has coordinates","226652","2020-10-21","18:00:00",""
"4035176","15.2253","0.0009","9.1994","0.0006","17.8109","0.001","90","","97.278","0.005","90","","2474.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N O4 -","- C24 H41 N O4 -","- C96 H164 N4 O16 -","4","1","","Chang, Denghu; Zhao, Rong; Wei, Congyin; Yao, Yuan; Liu, Yang; Shi, Lei","Sulfonamide-Directed Chemo- and Site-Selective Oxidative Halogenation/Amination Using Halogenating Reagents Generated in Situ from Cyclic Diacyl Peroxides.","The Journal of organic chemistry","2018","83","6","3305","3315","10.1021/acs.joc.8b00243","","x-ray","0.71073","MoKα","","0.1381","0.0758","","","0.2066","0.2538","","","","","","1.056","","","","has coordinates,has disorder","226653","2020-10-21","18:00:00",""
"4035177","10.53555","0.00014","16.17984","0.00019","24.4076","0.0003","90","","90","","90","","4160.61","0.09","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0512","0.0454","","","0.1102","0.1169","","","","","","1.059","","","","has coordinates","226654","2020-10-21","18:00:00",""
"4035178","8.02988","0.00012","14.07","0.0002","37.5353","0.0006","90","","90","","90","","4240.75","0.11","171.2","","171.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0509","0.0456","","","0.1163","0.1225","","","","","","1.05","","","","has coordinates","226655","2020-10-21","18:00:00",""
"4035179","5.3633","0.0004","9.1569","0.0012","9.3749","0.001","115.199","0.013","93.554","0.008","98.472","0.009","408.03","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C22 H16 N2 O -","1","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.1148","0.1037","","","0.2701","0.2971","","","","","","1.273","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035180","5.7505","0.0002","9.7182","0.0004","32.0971","0.0015","90","","90","","90","","1793.73","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","1","0.25","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0556","0.0529","","","0.1353","0.1401","","","","","","1.055","","","","has coordinates","226657","2020-10-21","18:00:00",""
"4035181","8.8716","0.0008","9.7308","0.0009","11.2518","0.0011","78.991","0.008","86.805","0.007","68.727","0.008","888.4","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","- C42 H38 N4 O6 -","1","0.5","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0987","0.0821","","","0.2365","0.2597","","","","","","1.065","","","","has coordinates","226658","2020-10-21","18:00:00",""
"4035182","9.5284","0.0005","10.4453","0.0007","10.9147","0.0006","82.831","0.005","88.793","0.005","78.374","0.005","1055.69","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0502","0.0446","","","0.1148","0.1206","","","","","","1.055","","","","has coordinates","226659","2020-10-21","18:00:00",""
"4035183","5.7022","0.0006","9.6372","0.0009","31.486","0.003","90","","90","","90","","1730.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N0.25 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0663","0.0523","","","0.1313","0.1529","","","","","","1.075","","","","has coordinates","226660","2020-10-21","18:00:00",""
"4035184","12.9092","0.0004","5.32654","0.00015","17.0164","0.0005","90","","98.18","0.007","90","","1158.17","0.06","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0397","0.0361","","","0.0949","0.0973","","","","","","1.049","","","","has coordinates","226661","2020-10-21","18:00:00",""
"4035185","8.17797","0.00015","14.6247","0.0003","27.2033","0.0005","90","","90","","90","","3253.52","0.11","103","","103","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N6 O2 -","- C17 H14 N6 O2 -","- C136 H112 N48 O16 -","8","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0432","0.0367","","","0.0866","0.0897","","","","","","1.034","","","","has coordinates","226662","2020-10-21","18:00:00",""
"4035186","10.37797","0.00019","9.68067","0.00018","20.4861","0.0004","90","","98.126","0.007","90","","2037.49","0.08","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O3 S -","- C22 H21 N3 O3 S -","- C88 H84 N12 O12 S4 -","4","1","","Yokoi, Taiki; Tanimoto, Hiroki; Ueda, Tomomi; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions to Diazo Groups in Diazido and Triazido Compounds.","The Journal of organic chemistry","2018","83","19","12103","12121","10.1021/acs.joc.8b02074","","","0.71075","MoKα","","0.0463","0.038","","","0.0906","0.0948","","","","","","1.041","","","","has coordinates","226663","2020-10-21","18:00:00",""
"4035187","19.9132","0.0008","15.647","0.0007","25.9036","0.0009","90","","91.158","0.003","90","","8069.4","0.6","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H66 Br6 N6 O6 -","- C81 H66 Br6 N6 O6 -","- C324 H264 Br24 N24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1268","0.0697","","","0.1414","0.1662","","","","","","1.012","","","","has coordinates","226664","2020-10-21","18:00:00",""
"4035188","11.0266","0.0004","24.2582","0.0011","26.2224","0.001","90","","90","","90","","7014.1","0.5","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H34 Br6 O6 -","- C63 H34 Br6 O6 -","- C252 H136 Br24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1645","0.0737","","","0.1499","0.1865","","","","","","0.937","","","","has coordinates","226665","2020-10-21","18:00:00",""
"4035189","12.555","0.002","17.818","0.003","17.84","0.003","73.987","0.004","89.554","0.005","87.329","0.005","3831.8","1.1","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C94.88 H105.54 Cl0.67 O6 -","- C94.88 H105.536 Cl0.672 O6 -","- C189.76 H211.072 Cl1.344 O12 -","2","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1557","0.1305","","","0.3075","0.3188","","","","","","1.904","","","","has coordinates,has disorder","226666","2020-10-21","18:00:00",""
"4035190","24.871","0.0008","16.1571","0.0004","22.4581","0.0007","90","","108.057","0.003","90","","8580.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H67 Cl3 O6 -","- C100 H67 Cl3 O6 -","- C400 H268 Cl12 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1271","0.0745","","","0.1806","0.2121","","","","","","1.043","","","","has coordinates,has disorder","226667","2020-10-21","18:00:00",""
"4035191","8.1049","0.0013","13.229","0.003","18.91","0.005","90","","90","","90","","2027.5","0.8","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O3 -","- C20 H27 Cl N2 O3 -","- C80 H108 Cl4 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Regioselective and Stereoselective Reductive Aziridinium Ring Cleavage Leading to Azabicyclodecane Architecture: Enantioselective Synthesis of (+)-Subincanadine F.","The Journal of organic chemistry","2018","83","19","12164","12170","10.1021/acs.joc.8b02113","","","1.54178","CuKα","","0.0832","0.0758","","","0.2004","0.2104","","","","","","1.054","","","","has coordinates","226668","2020-10-21","18:00:00",""
"4035192","11.7753","0.0004","14.8277","0.0004","14.2674","0.0004","90","","110.892","0.001","90","","2327.32","0.12","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B N -","- C30 H28 B N -","- C120 H112 B4 N4 -","4","1","","Mellerup, Soren K.; Li, Cally; Wang, Xiang; Wang, Suning","Controlling Isomerization Selectivity in Chiral, Photochromic N,C-Chelate Organoboron Systems with Extended π-Conjugation.","The Journal of organic chemistry","2018","83","19","11970","11977","10.1021/acs.joc.8b01856","","","0.71073","MoKα","","0.0535","0.0494","","","0.1238","0.127","","","","","","1.06","","","","has coordinates","226669","2020-10-21","18:00:00",""
"4035193","9.369","0.003","10.09","0.003","10.992","0.004","66.523","0.008","88.46","0.009","67.367","0.009","869.8","0.5","205","","205","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Li, Yazhou; Zhou, Jianhui; Fang, Feifei; Xu, Bin; Liu, Hong; Zhou, Yu","Rhodium(III)-Catalyzed C-H Activation of α-Iminonitriles or α-Imino Esters and Cyclization with Acrylates to 2 H-Isoindoles.","The Journal of organic chemistry","2018","83","19","11736","11746","10.1021/acs.joc.8b01664","","","0.71073","MoKα","","0.0968","0.0613","","","0.1535","0.1816","","","","","","0.961","","","","has coordinates","226670","2020-10-21","18:00:00",""
"4035194","8.2932","0.0016","9.6779","0.0017","10.89","0.002","94.56","0.015","105.319","0.017","101.949","0.016","816.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 F3 N O2 S -","- C17 H16 F3 N O2 S -","- C34 H32 F6 N2 O4 S2 -","2","1","","Liang, Deqiang; Dong, Qishan; Xu, Penghui; Dong, Ying; Li, Weili; Ma, Yinhai","Synthesis of CF<sub>3</sub>CH<sub>2</sub>-Containing Indolines by Transition-Metal-Free Aryltrifluoromethylation of Unactivated Alkenes.","The Journal of organic chemistry","2018","83","19","11978","11986","10.1021/acs.joc.8b01861","","x-ray","1.54184","CuKα","","0.0909","0.0628","","","0.1644","0.1787","","","","","","1.145","","","","has coordinates","226671","2020-10-21","18:00:00",""
"4035195","7.561","0.0005","6.3397","0.0004","27.0124","0.0016","90","","92.236","0.006","90","","1293.84","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H36 O4 -","- C31 H36 O4 -","- C62 H72 O8 -","2","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","","0.71073","MoKα","","0.1171","0.1136","","","0.3013","0.3038","","","","","","1.105","","","","has coordinates","226672","2020-10-21","18:00:00",""
"4035196","7.6058","0.001","9.596","0.0009","25.628","0.003","90","","90","","90","","1870.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","x-ray","0.71073","MoKα","","0.0986","0.0794","","","0.1747","0.1871","","","","","","1.081","","","","has coordinates","226673","2020-10-21","18:00:00",""
"4035197","9.2524","0.0007","11.1911","0.0008","17.8291","0.0013","90","","90","","90","","1846.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","t-Butyl 1-(3aR,5,6,6aS-tetrahydro-4H-pyrrolo[3,4-d]isoxazol-3-yl)-2S-phenylethyl)carbamate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","","Bucci, Raffaella; Giofré, Sabrina; Clerici, Francesca; Contini, Alessandro; Pinto, Andrea; Erba, Emanuela; Soave, Raffaella; Pellegrino, Sara; Gelmi, Maria Luisa","Tetrahydro-4 H-(pyrrolo[3,4- d]isoxazol-3-yl)methanamine: A Bicyclic Diamino Scaffold Stabilizing Parallel Turn Conformations.","The Journal of organic chemistry","2018","83","19","11493","11501","10.1021/acs.joc.8b01299","","","0.71073","MoKα","","0.1622","0.0504","","","0.1105","0.1546","","","","","","0.955","","","","has coordinates","226674","2020-10-21","18:00:00",""
"4035198","5.1021","0.0001","15.7064","0.0006","22.3341","0.0007","90","","90.038","0.001","90","","1789.76","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O5 -","- C22 H21 N O5 -","- C88 H84 N4 O20 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0688","0.0471","","","0.0994","0.1067","","","","","","1.134","","","","has coordinates","226675","2020-10-21","18:00:00",""
"4035199","14.2131","0.0014","15.0872","0.0016","9.4875","0.0008","90","","105.673","0.005","90","","1958.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.1402","0.0696","","","0.1335","0.1597","","","","","","1.03","","","","has coordinates","226676","2020-10-21","18:00:00",""
"4035200","7.7691","0.0002","16.2565","0.0005","15.0511","0.0005","90","","90.104","0.001","90","","1900.93","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","","Sakthivel, Shanmugam; Balamurugan, Rengarajan","Annulation of a Highly Functionalized Diazo Building Block with Indoles under Sc(OTf)<sub>3</sub>/Rh<sub>2</sub>(OAc)<sub>4</sub> Multicatalysis through Michael Addition/Cyclization Sequence.","The Journal of organic chemistry","2018","83","19","12171","12183","10.1021/acs.joc.8b02127","","","0.71073","MoKα","","0.0382","0.0342","","","0.0885","0.0913","","","","","","1.092","","","","has coordinates","226678","2020-10-21","18:00:00",""
"4035201","11.3067","0.0009","9.613","0.0007","23.3153","0.0018","90","","95.179","0.003","90","","2523.8","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O6 S -","- C25 H28 Cl N O6 S -","- C100 H112 Cl4 N4 O24 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0933","0.0605","","","0.1903","0.2075","","","","","","1.407","","","","has coordinates","226679","2020-10-21","18:00:00",""
"4035202","9.4708","0.0008","7.4003","0.0006","14.1551","0.0012","90","","95.154","0.003","90","","988.07","0.14","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2014/7","","- C22 H20 Cl N3 O3 -","- C22 H20 Cl N3 O3 -","- C44 H40 Cl2 N6 O6 -","2","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0456","0.0387","","","0.0892","0.0921","","","","","","1.006","","","","has coordinates","226680","2020-10-21","18:00:00",""
"4035203","24.087","0.004","8.8775","0.0015","11.5808","0.0019","90","","107.337","0.004","90","","2363.8","0.7","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","2014/7","","- C23 H25 Cl N5 O4 -","- C24 H25 Cl N4 O4 -","- C96 H100 Cl4 N16 O16 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0564","0.0396","","","0.0806","0.0859","","","","","","0.965","","","","has coordinates","226681","2020-10-21","18:00:00",""
"4035204","5.3829","0.0004","17.6389","0.0012","21.6279","0.0015","90","","90","","90","","2053.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N O3 -","- C24 H24 Cl N O3 -","- C96 H96 Cl4 N4 O12 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0542","0.0352","","","0.0699","0.0829","","","","","","1.102","","","","has coordinates","226682","2020-10-21","18:00:00",""
"4035205","8.7508","0.0006","7.8977","0.0005","14.1765","0.0011","90","","95.447","0.004","90","","975.33","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Li, Shuang; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Wang, Chao-Ming; Xiao, Jun-An; Chen, Xiao-Qing; Xiang, Hao-Yue; Yang, Hua","Organocatalytic Domino Entry to an Octahydroacridine Scaffold Bearing Three Contiguous Stereocenters.","The Journal of organic chemistry","2018","83","19","12284","12290","10.1021/acs.joc.8b01875","","","0.71073","MoKα","","0.0442","0.0427","","","0.1258","0.1282","","","","","","1.043","","","","has coordinates","226683","2020-10-21","18:00:00",""
"4035206","13.7745","0.0002","9.69517","0.00016","23.1634","0.0004","90","","90","","90","","3093.38","0.09","162.46","0.1","162.46","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Faderl, Christian; Budde, Simon; Kachkovskyi, Georgiy; Rackl, Daniel; Reiser, Oliver","Visible Light-Mediated Decarboxylation Rearrangement Cascade of ω-Aryl- N-(acyloxy)phthalimides.","The Journal of organic chemistry","2018","83","19","12192","12206","10.1021/acs.joc.8b01538","","","1.54184","CuKα","","0.0582","0.0516","","","0.1525","0.1638","","","","","","1.058","","","","has coordinates,has disorder","226684","2020-10-21","18:00:00",""
"4035207","12.9433","0.0008","25.6688","0.0019","7.8534","0.0005","90","","90","","90","","2609.2","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C32 H31 N3 O2 -","- C32 H31 N3 O2 -","- C128 H124 N12 O8 -","4","1","","Fecková, Michaela; le Poul, Pascal; Guen, Françoise Robin-le; Roisnel, Thierry; Pytela, Oldřich; Klikar, Milan; Bureš, Filip; Achelle, Sylvain","2,4-Distyryl- and 2,4,6-Tristyrylpyrimidines: Synthesis and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","11712","11726","10.1021/acs.joc.8b01653","","x-ray","0.71073","MoKα","","0.0712","0.0559","","","0.1368","0.1435","","","","","","1.092","","","","has coordinates,has disorder","226685","2020-10-21","18:00:00",""
"4035208","8.0486","0.0005","32.6885","0.0018","10.843","0.0006","90","","96.084","0.001","90","","2836.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","G03045783.1-1 EtOH/H2O 68863-100","gene382","","- C30 H30 Cl F O5 S -","- C30 H30 Cl F O5 S -","- C120 H120 Cl4 F4 O20 S4 -","4","1","","Savage, Scott; McClory, Andrew; Zhang, Haiming; Cravillion, Theresa; Lim, Ngiap-Kie; Masui, Colin; Robinson, Sarah J.; Han, Chong; Ochs, Christoph; Rege, Pankaj D.; Gosselin, Francis","Synthesis of Selective Estrogen Receptor Degrader GDC-0810 via Stereocontrolled Assembly of a Tetrasubstituted All-Carbon Olefin.","The Journal of organic chemistry","2018","83","19","11571","11576","10.1021/acs.joc.8b01551","","","0.71073","MoKα","","0.0401","0.0347","","","0.0753","0.0788","","","","","","1.074","","","","has coordinates","226686","2020-10-21","18:00:00",""
"4035209","9.9204","0.0007","11.0141","0.0008","25.763","0.002","90","","90","","90","","2815","0.4","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0482","0.0366","","","0.0895","0.0947","","","","","","1.045","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035210","10.4555","0.0009","10.4555","0.0009","26.75","0.002","90","","90","","90","","2924.2","0.4","120","","120","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","1,9-dinitro-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C14 H4 N4 O6 S -","- C14 H4 N4 O6 S -","- C112 H32 N32 O48 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0604","0.059","","","0.1523","0.1535","","","","","","1.162","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035211","13.3642","0.0009","9.6436","0.0006","13.6194","0.0009","90","","114.786","0.002","90","","1593.56","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,7-dicyano-1,9-dinitrodibenzothiophene-S,S-dioxide : tetrahydrofuran","","- C16 H8 N4 O6.5 S -","- C16 H8 N4 O6.5 S -","- C64 H32 N16 O26 S4 -","4","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0791","0.0566","","","0.1134","0.1229","","","","","","1.075","","","","has coordinates,has disorder","226687","2020-10-21","18:00:00",""
"4035212","19.8345","0.001","9.7054","0.0005","17.1644","0.0008","90","","109.942","0.0017","90","","3106","0.3","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,9-(N,N'-2,2-diaminoisopropyl)-3,7-dicyanodibenzothiophene-5,5-dioxide","","- C17 H12 N4 O2 S -","- C17 H12 N4 O2 S -","- C136 H96 N32 O16 S8 -","8","1","","Montanaro, Stephanie; Wright, Iain A.; Batsanov, Andrei S.; Bryce, Martin R.","Synthesis of Tetracyclic 2,3-Dihydro-1,3-diazepines from a Dinitrodibenzothiophene Derivative.","The Journal of organic chemistry","2018","83","19","12320","12326","10.1021/acs.joc.8b02029","","x-ray","0.71073","MoKα","","0.0516","0.0408","","","0.1053","0.1106","","","","","","1.055","","","","has coordinates","226687","2020-10-21","18:00:00",""
"4035213","7.934","0.003","11.694","0.005","12.083","0.004","98.357","0.007","106.844","0.002","104.871","0.009","1007.4","0.7","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N2 O4 S -","- C22 H19 Cl N2 O4 S -","- C44 H38 Cl2 N4 O8 S2 -","2","1","","Gao, Wen-Chao; Cheng, Yu-Fei; Shang, Yu-Zhu; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Qiao, Yan; Wei, Wen-Long","Copper(II)-Catalyzed Four-Component Oxysulfonylation/Diazenylation: Synthesis of α-Arylhydrazo-β-keto Sulfones.","The Journal of organic chemistry","2018","83","19","11956","11962","10.1021/acs.joc.8b01843","","","0.71073","MoKα","","0.0437","0.0361","","","0.0991","0.1031","","","","","","1.035","","","","has coordinates","226688","2020-10-21","18:00:00",""
"4035214","22.138","0.004","6.7644","0.0008","27.623","0.003","90","","99.718","0.002","90","","4077.2","1","296","2","296.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H22 Se2 Si2 -","- C16 H22 Se2 Si2 -","- C128 H176 Se16 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0897","0.0392","","","0.0737","0.0911","","","","","","0.909","","","","has coordinates","226689","2020-10-21","18:00:00",""
"4035215","10.7857","0.0002","14.5659","0.0003","32.0512","0.0007","90","","93.67","0.002","90","","5025.03","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C81 H90 Cl2 Se16 Si8 -","- C81 H90 Cl2 Se16 Si8 -","- C162 H180 Cl4 Se32 Si16 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","0.71073","MoKα","","0.0638","0.0409","","","0.0855","0.0948","","","","","","1.019","","","","has coordinates,has disorder","226690","2020-10-21","18:00:00",""
"4035216","6.08389","0.00014","14.5798","0.0003","29.7083","0.0007","90","","90","","90","","2635.18","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C96 H88 S24 Si8 -","4","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.0922","0.0648","","","0.1603","0.1757","","","","","","1.097","","","","has coordinates","226691","2020-10-21","18:00:00",""
"4035217","43.5409","0.0016","6.07902","0.00015","25.6532","0.001","90","","126.743","0.006","90","","5441","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C192 H176 S16 Se32 Si16 -","8","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.069","0.0446","","","0.0998","0.1156","","","","","","1.023","","","","has coordinates","226692","2020-10-21","18:00:00",""
"4035218","6.6546","0.0012","12.875","0.002","10.2719","0.0017","90","","97.251","0.003","90","","873","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Se2 Si2 -","- C12 H20 Se2 Si2 -","- C24 H40 Se4 Si4 -","2","0.5","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","","0.71073","MoKα","","0.0478","0.0367","","","0.0921","0.0982","","","","","","1.054","","","","has coordinates","226693","2020-10-21","18:00:00",""
"4035219","7.286","0.0008","8.3926","0.001","12.1427","0.0013","88.21","0.004","86.511","0.004","79.953","0.004","729.61","0.14","132","2","132.55","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C32 H26 N6 O4 S2 -","2","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.0576","0.042","","","0.102","0.1115","","","","","","1.023","","","","has coordinates","226694","2020-10-21","18:00:00",""
"4035220","10.877","0.003","20.729","0.006","21.133","0.006","90","","90","","90","","4765","2","293","2","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H27 N3 O2 -","- C28 H27 N3 O2 -","- C224 H216 N24 O16 -","8","1","","Ghosh, Tubai; Maity, Pintu; Ranu, Brindaban C.","Cu(OAc)<sub>2</sub>-Promoted Ortho C(sp<sup>2</sup>)-H Amidation of 8-Aminoquinoline Benzamide with Acyl Azide: Selective Formation of Aroyl or Acetyl Amide Based on Catalyst Loading.","The Journal of organic chemistry","2018","83","19","11758","11767","10.1021/acs.joc.8b01654","","","0.71073","MoKα","","0.1409","0.0751","","","0.1544","0.187","","","","","","1.042","","","","has coordinates","226695","2020-10-21","18:00:00",""
"4035221","10.1585","0.0008","5.1082","0.0003","25.137","0.002","90","","100.794","0.003","90","","1281.32","0.16","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H22 -","- C46 H22 -","- C92 H44 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.128","0.0802","","","0.1816","0.204","","","","","","1.115","","","","has coordinates","226696","2020-10-21","18:00:00",""
"4035222","14.0177","0.0005","7.74","0.0003","20.7641","0.0007","90","","90","","90","","2252.84","0.14","100","0.2","100","0.2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H22 -","- C38 H22 -","- C152 H88 -","4","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0597","0.0493","","","0.1209","0.1281","","","","","","1.053","","","","has coordinates","226697","2020-10-21","18:00:00",""
"4035223","13.718","0.002","28.993","0.004","7.3734","0.0013","90","","97.348","0.005","90","","2908.5","0.8","298","2","298","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.2365","0.1638","","","0.475","0.5031","","","","","","1.666","","","","has coordinates","226698","2020-10-21","18:00:00",""
"4035224","28.518","0.002","3.9214","0.0002","28.75","0.002","90","","111.54","0.003","90","","2990.6","0.3","200","2","200","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C46 H22 Cl4 -","- C46 H22 Cl4 -","- C184 H88 Cl16 -","4","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0895","0.063","","","0.1219","0.1314","","","","","","1.182","","","","has coordinates","226699","2020-10-21","18:00:00",""
"4035225","9.3146","0.0003","14.9831","0.0005","6.5062","0.0002","90","","100.657","0.002","90","","892.35","0.05","100","0.2","100","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 -","- C30 H18 -","- C60 H36 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0572","0.0429","","","0.1137","0.1268","","","","","","1.045","","","","has coordinates","226700","2020-10-21","18:00:00",""
"4035226","11.996","0.006","3.8892","0.0016","30.77","0.015","90","","95.413","0.016","90","","1429.2","1.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H24 Cl2 -","- C46 H24 Cl2 -","- C92 H48 Cl4 -","2","0.5","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.0675","0.046","","","0.0996","0.1109","","","","","","1.021","","","","has coordinates","226701","2020-10-21","18:00:00",""
"4035227","3.8591","0.0009","15.09","0.004","24.31","0.007","72.301","0.009","89.25","0.009","84.739","0.007","1342.8","0.6","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","","","- C46 H24 -","- C46 H24 -","- C92 H48 -","2","1","","Kumar, Sushil; Huang, Ding-Chi; Venkateswarlu, Samala; Tao, Yu-Tai","Nonlinear Polyfused Aromatics with Extended π-Conjugation from Phenanthrotriphenylene, Tetracene, and Pentacene: Syntheses, Crystal Packings, and Properties.","The Journal of organic chemistry","2018","83","19","11614","11622","10.1021/acs.joc.8b01582","","","0.71073","MoKα","","0.1012","0.0596","","","0.1261","0.1426","","","","","","1.019","","","","has coordinates","226702","2020-10-21","18:00:00",""
"4035228","22.3394","0.0005","8.2464","0.0002","13.8104","0.0003","90","","98.821","0.002","90","","2514.06","0.1","153","2","153","3","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0336","0.0331","","","0.0925","0.0933","","","","","","1.0499","","","","has coordinates","226703","2020-10-21","18:00:00",""
"4035229","7.1755","0.0003","13.5398","0.0004","24.583","0.001","90","","90","","90","","2388.36","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0436","0.0392","","","0.1016","0.1052","","","","","","1.054","","","","has coordinates","226704","2020-10-21","18:00:00",""
"4035230","22.0812","0.0019","22.0812","0.0019","28.205","0.003","90","","90","","120","","11909.7","1.9","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C29.33 H27.33 Cl F N2 O3 -","- C29.3333 H27.3333 Cl F N2 O3 -","- C528 H492 Cl18 F18 N36 O54 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.197","0.1088","","","0.2583","0.3117","","","","","","1.083","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035231","27.5889","0.0011","27.5889","0.0011","21.9252","0.0008","90","","90","","120","","14452.5","1","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31.33 H30.33 Cl2.67 F3 N2 O3.33 -","- C31.3333 H29.6666 Cl2.6667 F3 N2 O3.33333 -","- C564 H533.999 Cl48.0006 F54 N36 O60 -","18","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1016","0.0804","","","0.1826","0.1875","","","","","","1.888","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035232","5.12421","0.00008","18.41","0.0003","24.5471","0.0003","90","","90","","90","","2315.69","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O3 S -","- C27 H26 N2 O3 S -","- C108 H104 N8 O12 S4 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0886","0.0785","","","0.219","0.2271","","","","","","1.058","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035233","10.9296","0.0002","16.2586","0.0004","14.4963","0.0003","90","","96.6854","0.0012","90","","2558.48","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C108 H128 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0696","0.0603","","","0.1881","0.1992","","","","","","1.211","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035234","8.885","0.0005","15.6428","0.0009","15.7705","0.0011","90","","90","","90","","2191.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.066","0.0533","","","0.1241","0.1305","","","","","","1.055","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035235","11.88","0.003","18.397","0.004","13.284","0.003","90","","111.478","0.009","90","","2701.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0586","0.0513","","","0.1501","0.1578","","","","","","1.07","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035236","5.3292","0.0003","20.4942","0.0008","21.4516","0.0012","90","","91.853","0.005","90","","2341.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N2 O4 -","- C27 H32 N2 O4 -","- C108 H128 N8 O16 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0584","0.0515","","","0.1343","0.1384","","","","","","1.059","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035237","10.9767","0.0006","28.08","0.0014","15.6928","0.0008","90","","109.208","0.0013","90","","4567.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0785","0.0653","","","0.2013","0.2137","","","","","","1.099","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035238","11.156","0.002","11.714","0.002","21.91","0.004","85.73","0.03","80.75","0.03","73.09","0.03","2702.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.25 H30.5 Cl0.5 N2 O4 -","- C30.25 H30.5 Cl0.5 N2 O4 -","- C121 H122 Cl2 N8 O16 -","4","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.0827","0.066","","","0.1681","0.1784","","","","","","1.026","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035239","22.7789","0.0015","22.7789","0.0015","34.781","0.003","90","","90","","90","","18047","2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25.75 H24.5 N3 O2.25 -","- C25.75 H24.5 N3 O2.25 -","- C824 H784 N96 O72 -","32","2","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.1994","0.0688","","","0.1124","0.1528","","","","","","0.802","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035240","6.958","0.002","14.801","0.005","8.546","0.002","90","","103.69","0.03","90","","855.1","0.4","293","2","293","2","","","101","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","7-methyl-2,3-dihydro-1H-pyrrolo[1,2-d][1,4]diazepin-4(5H)-one","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Zelina, Elena Y.; Nevolina, Tatyana A.; Sorotskaja, Ludmila N.; Skvortsov, Dmitry A.; Trushkov, Igor V.; Uchuskin, Maxim G.","A General Synthetic Route to Isomeric Pyrrolo[1,2- x][1,4]diazepinones.","The Journal of organic chemistry","2018","83","19","11747","11757","10.1021/acs.joc.8b01669","","x-ray","0.71073","MoKα","","0.0627","0.048","","","0.1255","0.1376","","","","","","1.082","","","","has coordinates","226706","2020-10-21","18:00:00",""
"4035241","8.797","0.014","9.714","0.015","11.666","0.018","112.83","0.02","99.88","0.02","102.02","0.02","863","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C42 H36 N4 O8 -","2","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0553","0.0446","","","0.1323","0.1418","","","","","","1.05","","","","has coordinates","226707","2020-10-21","18:00:00",""
"4035242","8.4553","0.0015","21.077","0.004","8.8999","0.0015","90","","96.762","0.003","90","","1575","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F N2 O5 -","- C18 H13 F N2 O5 -","- C72 H52 F4 N8 O20 -","4","1","","Karishma, Pidiyara; Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Mandal, Sanjay K.; Sakhuja, Rajeev","Additive-Driven Rhodium-Catalyzed [4+1]/[4+2] Annulations of N-Arylphthalazine-1,4-dione with α-Diazo Carbonyl Compounds.","The Journal of organic chemistry","2018","83","19","11661","11673","10.1021/acs.joc.8b01630","","","0.71073","MoKα","","0.0738","0.0541","","","0.1527","0.1775","","","","","","1.087","","","","has coordinates","226708","2020-10-21","18:00:00",""
"4035243","7.4942","0.0011","8.3234","0.0013","13.895","0.002","81.582","0.014","74.877","0.014","75.943","0.013","808.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C16 H13 B Cl F2 N3 O S -","- C16 H13 B Cl F2 N3 O S -","- C32 H26 B2 Cl2 F4 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0698","0.064","","","0.1807","0.1907","","","","","","1.08","","","","has coordinates","226709","2020-10-21","18:00:00",""
"4035244","6.7366","0.0006","10.6037","0.0009","11.8737","0.0009","103.762","0.007","94.853","0.007","97.745","0.007","810.29","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 B F6 N3 O S -","- C16 H10 B F6 N3 O S -","- C32 H20 B2 F12 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0958","0.0867","","","0.2662","0.2762","","","","","","1.11","","","","has coordinates","226710","2020-10-21","18:00:00",""
"4035245","10.9387","0.0005","13.5166","0.0007","21.8934","0.0015","90","","90","","90","","3237","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H16 B F2 N3 O2 S -","- C17 H16 B F2 N3 O2 S -","- C136 H128 B8 F16 N24 O16 S8 -","8","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0876","0.0617","","","0.1539","0.1666","","","","","","1.05","","","","has coordinates","226711","2020-10-21","18:00:00",""
"4035246","7.5158","0.0005","9.9639","0.0006","11.753","0.001","97.417","0.006","103.743","0.007","93.605","0.005","843.78","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 B F5 N3 O S -","- C17 H13 B F5 N3 O S -","- C34 H26 B2 F10 N6 O2 S2 -","2","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0306","0.029","","","0.0772","0.0784","","","","","","1.051","","","","has coordinates","226712","2020-10-21","18:00:00",""
"4035247","7.908","0.0001","7.908","0.0001","25.1636","0.0005","90","","90","","90","","1573.64","0.04","100","2","100","2","","","","","","","","7","P 41","P 4w","76","","","","- C16 H13 B F3 N3 O S -","- C16 H13 B F3 N3 O S -","- C64 H52 B4 F12 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0589","0.056","","","0.1403","0.1424","","","","","","1.099","","","","has coordinates","226713","2020-10-21","18:00:00",""
"4035248","17.2717","0.0008","10.711","0.0005","8.2114","0.0005","90","","96.983","0.004","90","","1507.82","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 B F2 N3 O S -","- C16 H14 B F2 N3 O S -","- C64 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.1283","0.1052","","","0.2943","0.3059","","","","","","1.27","","","","has coordinates","226714","2020-10-21","18:00:00",""
"4035249","10.9704","0.0003","6.5342","0.0002","23.6337","0.0007","90","","101.584","0.002","90","","1659.62","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Phenyl-1-(9-phenyl-4-oxa-1,3-diaza-bicyclo[3.3.1]non-3-yl)-ethanone","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Berti, Francesco; Menichetti, Andrea; Favero, Lucilla; Marchetti, Fabio; Pineschi, Mauro","Regio- and Stereodivergent Allylic Reductions of Bicyclic Piperidine Enecarbamate Derivatives.","The Journal of organic chemistry","2018","83","19","12221","12228","10.1021/acs.joc.8b01601","","","0.71073","MoKα","","0.0682","0.0451","","","0.1249","0.1427","","","","","","1.015","","","","has coordinates","226715","2020-10-21","18:00:00",""
"4035250","9.6314","0.0004","13","0.0007","13.9519","0.0008","90","","90","","90","","1746.89","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 -","- C16 H24 Cl N O2 -","- C64 H96 Cl4 N4 O8 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.068","0.0425","","","0.0985","0.1183","","","","","","1.065","","","","has coordinates","226716","2020-10-21","18:00:00",""
"4035251","17.6648","0.0006","5.6836","0.0002","18.7544","0.0009","90","","115.841","0.002","90","","1694.66","0.12","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.046","0.0341","","","0.0709","0.0761","","","","","","1.042","","","","has coordinates","226717","2020-10-21","18:00:00",""
"4035252","8.0971","0.0016","11.752","0.002","13.384","0.003","71.101","0.003","80.004","0.003","77.429","0.003","1168.7","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H19 Cl F3 I N2 O3 S -","- C23 H19 Cl F3 I N2 O3 S -","- C46 H38 Cl2 F6 I2 N4 O6 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.079","0.0614","","","0.1568","0.17","","","","","","1.011","","","","has coordinates,has disorder","226718","2020-10-21","18:00:00",""
"4035253","33.109","0.0015","10.3694","0.0005","5.8127","0.0003","90","","90","","90","","1995.62","0.17","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H19 I N2 O5 S -","- C20 H19 I N2 O5 S -","- C80 H76 I4 N8 O20 S4 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.042","0.0343","","","0.0606","0.0625","","","","","","1.136","","","","has coordinates","226719","2020-10-21","18:00:00",""
"4035254","7.6828","0.0005","13.3501","0.001","13.1813","0.0009","90","","103.388","0.002","90","","1315.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.71073","MoKα","","0.0354","0.0265","","","0.0563","0.0595","","","","","","1.043","","","","has coordinates","226720","2020-10-21","18:00:00",""
"4035255","7.98332","0.00012","12.0224","0.00018","13.58838","0.00015","71.1374","0.0012","75.6257","0.0011","73.3462","0.0013","1164.84","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H19 F3 I N3 O5 S -","- C23 H19 F3 I N3 O5 S -","- C46 H38 F6 I2 N6 O10 S2 -","2","1","","Vlasenko, Yulia A.; Postnikov, Pavel S.; Trusova, Marina E.; Shafir, Alexandr; Zhdankin, Viktor V.; Yoshimura, Akira; Yusubov, Mekhman S.","Synthesis of Five-Membered Iodine-Nitrogen Heterocycles from Benzimidazole-Based Iodonium Salts.","The Journal of organic chemistry","2018","83","19","12056","12070","10.1021/acs.joc.8b01995","","","0.7107","MoKα","","0.033","0.0296","","","0.0715","0.0725","","","","","","1.196","","","","has coordinates,has disorder","226721","2020-10-21","18:00:00",""
"4035256","5.8934","0.0001","9.8741","0.0002","17.8348","0.0003","90","","90","","90","","1037.84","0.03","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Kim, Hyeong Rae; Achary, Raghavendra; Lee, Hyeon-Kyu","DBU-Promoted Dynamic Kinetic Resolution in Rh-Catalyzed Asymmetric Transfer Hydrogenation of 5-Alkyl Cyclic Sulfamidate Imines: Stereoselective Synthesis of Functionalized 1,2-Amino Alcohols.","The Journal of organic chemistry","2018","83","19","11987","11999","10.1021/acs.joc.8b01892","","","0.71073","MoKα","","0.0388","0.0351","","","0.0975","0.1005","","","","","","1.009","","","","has coordinates","226722","2020-10-21","18:00:00",""
"4035257","8.78244","0.00012","10.0199","0.00014","18.3347","0.0002","90","","90","","90","","1613.44","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Ogawa, Yuya; Kato, Marina; Sasaki, Ikuo; Sugimura, Hideyuki","Total Synthesis of (+)-Pyrenolide D.","The Journal of organic chemistry","2018","83","19","12315","12319","10.1021/acs.joc.8b02003","","","1.54184","CuKα","","0.0329","0.0303","","","0.0865","0.0983","","","","","","1.136","","","","has coordinates","226723","2020-10-21","18:00:00",""
"4035258","5.9955","0.0001","13.9616","0.0002","27.0117","0.0005","90","","90","","90","","2261.06","0.06","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N3 O6 S -","- C21 H26 Cl N3 O6 S -","- C84 H104 Cl4 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0189","0.0188","","","0.0509","0.0512","","","","","","1.054","","","","has coordinates","226724","2020-10-21","18:00:00",""
"4035259","7.4329","0.0002","14.0813","0.0004","18.3821","0.0005","90","","90","","90","","1923.96","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N3 O6 S -","- C17 H25 N3 O6 S -","- C68 H100 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0211","0.0207","","","0.0545","0.0552","","","","","","1.051","","","","has coordinates","226725","2020-10-21","18:00:00",""
"4035260","8.6172","0.0002","11.8985","0.0004","27.2367","0.0008","90","","90","","90","","2792.63","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O8 S -","- C26 H33 N3 O8 S -","- C104 H132 N12 O32 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.021","0.0208","","","0.0561","0.0562","","","","","","1.055","","","","has coordinates","226726","2020-10-21","18:00:00",""
"4035261","12.5226","0.0003","12.7446","0.0003","10.81","0.0002","90","","107.865","0.002","90","","1642.04","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O3 -","- C20 H14 N2 O3 -","- C80 H56 N8 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0485","0.0463","","","0.125","0.1285","","","","","","1.029","","","","has coordinates","226727","2020-10-21","18:00:00",""
"4035262","8.6966","0.0002","12.4116","0.0004","21.1857","0.0007","90","","96.602","0.003","90","","2271.59","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.078","0.0568","","","0.1492","0.1637","","","","","","1.035","","","","has coordinates","226728","2020-10-21","18:00:00",""
"4035263","10.2371","0.0007","12.0551","0.0008","12.5051","0.0009","93.572","0.006","105.062","0.006","99.112","0.006","1462.73","0.18","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0681","0.0459","","","0.104","0.1202","","","","","","1.036","","","","has coordinates","226729","2020-10-21","18:00:00",""
"4035264","8.8038","0.0008","12.8773","0.0009","11.2318","0.001","90","","109.578","0.01","90","","1199.72","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0488","0.0394","","","0.099","0.1069","","","","","","1.039","","","","has coordinates","226730","2020-10-21","18:00:00",""
"4035265","7.0538","0.0007","8.4543","0.0007","8.3005","0.001","90","","99.725","0.01","90","","487.89","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H13 N O -","- C12 H13 N O -","- C24 H26 N2 O2 -","2","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","0.71073","MoKα","","0.0471","0.038","","","0.0747","0.0806","","","","","","1.093","","","","has coordinates","226731","2020-10-21","18:00:00",""
"4035266","4.0072","0.0001","22.2268","0.0005","12.2592","0.0003","90","","95.112","0.002","90","","1087.55","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0537","0.0521","","","0.1417","0.1441","","","","","","1.04","","","","has coordinates","226732","2020-10-21","18:00:00",""
"4035267","6.7283","0.0001","9.5441","0.0002","15.1689","0.0004","90","","90","","90","","974.08","0.04","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0392","0.0383","","","0.1001","0.1021","","","","","","1.05","","","","has coordinates","226733","2020-10-21","18:00:00",""
"4035268","13.9326","0.0003","31.3218","0.0006","7.6013","0.0001","90","","98.27","0.002","90","","3282.67","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C156 H180 N12 O12 -","12","3","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0739","0.0576","","","0.1525","0.1634","","","","","","1.065","","","","has coordinates,has disorder","226734","2020-10-21","18:00:00",""
"4035269","9.3856","0.0003","12.211","0.0003","12.1822","0.0004","90","","108.645","0.004","90","","1322.9","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0872","0.0822","","","0.2368","0.2436","","","","","","1.058","","","","has coordinates,has disorder","226735","2020-10-21","18:00:00",""
"4035270","11.0667","0.0003","10.0284","0.0002","14.017","0.0003","90","","112.696","0.003","90","","1435.17","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0507","0.0466","","","0.1276","0.1315","","","","","","1.059","","","","has coordinates","226736","2020-10-21","18:00:00",""
"4035271","14.578","0.0004","12.8873","0.0003","23.6203","0.0006","90","","103.735","0.0012","90","","4310.68","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O2 -","- C29 H25 N O2 -","- C232 H200 N8 O16 -","8","2","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1786","0.0982","","","0.2299","0.3115","","","","","","0.924","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035272","20.435","0.0004","9.87597","0.00018","22.7727","0.0004","90","","90","","90","","4595.88","0.15","93","","93","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C232 H216 N8 O24 -","8","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.1764","0.1193","","","0.271","0.364","","","","","","1.138","","","","has coordinates","226738","2020-10-21","18:00:00",""
"4035273","5.53904","0.00013","21.578","0.0005","14.5887","0.0004","90","","92.1946","0.0013","90","","1742.38","0.07","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Takeda, Takuya; Harada, Shinji; Okabe, Akito; Nishida, Atsushi","Cyclohepta[ b]indole Synthesis through [5 + 2] Cycloaddition: Bifunctional Indium(III)-Catalyzed Stereoselective Construction of 7-Membered Ring Fused Indoles.","The Journal of organic chemistry","2018","83","19","11541","11551","10.1021/acs.joc.8b01407","","","1.54187","CuKα","","0.069","0.0452","","","0.1033","0.1198","","","","","","1.083","","","","has coordinates","226739","2020-10-21","18:00:00",""
"4035274","6.8682","0.0002","9.621","0.0004","18.8039","0.0008","90","","90","","90","","1242.54","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Fang, Lizhen; Zhao, Fangfei; Hu, Shuyu; Han, Lili; Hu, Xiaojing; Wang, Mingyong; Sun, Qianqian; Wu, Huipan","Dynamic Kinetic Resolution for Construction of Three Transannular Stereocenters of Dihydrobenzofuranols.","The Journal of organic chemistry","2018","83","19","12213","12220","10.1021/acs.joc.8b01613","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0994","0.1024","","","","","","1.047","","","","has coordinates","226740","2020-10-21","18:00:00",""
"4035275","8.4116","0.0003","10.4562","0.0005","10.4805","0.0005","110.835","0.004","102.211","0.004","92.54","0.004","834.78","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N2 O P -","- C20 H15 N2 O P -","- C40 H30 N4 O2 P2 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","0.71073","MoKα","","0.0381","0.0346","","","0.0879","0.0898","","","","","","1.0501","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4035276","8.6441","0.0002","14.53","0.0003","15.1708","0.0003","75.454","0.002","77.788","0.002","89.162","0.002","1801.13","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N4 O4.5 P2 -","- C42 H35 N4 O4.5 P2 -","- C84 H70 N8 O9 P4 -","2","1","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0519","0.0406","","","0.1012","0.1069","","","","","","1.054","","","","has coordinates","226742","2020-10-21","18:00:00",""
"4035277","17.2306","0.0004","12.4787","0.0004","17.0064","0.0005","90","","90.4","0.003","90","","3656.55","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N2 O2 P -","- C21 H17 N2 O2 P -","- C168 H136 N16 O16 P8 -","8","2","","Liu, Yan; Chen, Xiao-Lan; Zeng, Fan-Lin; Sun, Kai; Qu, Chen; Fan, Lu-Lu; An, Zi-Long; Li, Rui; Jing, Chun-Feng; Wei, Sheng-Kai; Qu, Ling-Bo; Yu, Bing; Sun, Yuan-Qiang; Zhao, Yu-Fen","Phosphorus Radical-Initiated Cascade Reaction To Access 2-Phosphoryl-Substituted Quinoxalines.","The Journal of organic chemistry","2018","83","19","11727","11735","10.1021/acs.joc.8b01657","","x-ray","1.54184","CuKα","","0.0752","0.057","","","0.1502","0.1662","","","","","","1.026","","","","has coordinates","226743","2020-10-21","18:00:00",""
"4035278","5.97007","0.00013","10.7499","0.0003","14.3987","0.0004","81.279","0.002","84.444","0.002","84.681","0.002","906.24","0.04","295.99","0.1","295.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C48 H34 N2 O6 -","2","1","","Guo, Shenghai; Sun, Lincong; Wang, Fang; Zhang, Xinying; Fan, Xuesen","Rh(III)-Catalyzed Oxidative Annulation of Isoquinolones with Diazoketoesters Featuring an in Situ Deacylation: Synthesis of Isoindoloisoquinolones and Their Transformation to Rosettacin Analogues.","The Journal of organic chemistry","2018","83","19","12034","12043","10.1021/acs.joc.8b01982","","x-ray","1.54184","CuKα","","0.049","0.0464","","","0.1211","0.1232","","","","","","1.044","","","","has coordinates","226744","2020-10-21","18:00:00",""
"4035279","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","226745","2020-10-21","18:00:00",""
"4035280","28.603","0.007","8.1356","0.0019","10.639","0.002","90","","107.989","0.003","90","","2354.7","0.9","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H22 Br F3 N2 O5 -","- C22 H22 Br F3 N2 O5 -","- C88 H88 Br4 F12 N8 O20 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0634","0.0394","","","0.0937","0.1058","","","","","","1.008","","","","has coordinates","226746","2020-10-21","18:00:00",""
"4035281","9.3652","0.0017","10.803","0.002","11.038","0.002","90","","102.554","0.002","90","","1090","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Br F2 N2 O3 -","- C23 H21 Br F2 N2 O3 -","- C46 H42 Br2 F4 N4 O6 -","2","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0645","0.0441","","","0.11","0.1223","","","","","","1.011","","","","has coordinates","226747","2020-10-21","18:00:00",""
"4035282","20.0368","0.0003","20.0368","0.0003","12.7561","0.0002","90","","90","","120","","4435.12","0.12","100","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C168 H198 N6 O42 -","6","1","","Zhou, Ming; Zhou, Jia; Liu, Junjun; Liang, Jing-Jing; Peng, Xiao-Gang; Duan, Fang-Fang; Ruan, Han-Li","Parasubindoles A-G, Seven Eremophilanyl Indoles from the Whole Plant of Parasenecio albus.","The Journal of organic chemistry","2018","83","19","12122","12128","10.1021/acs.joc.8b02089","","","1.54178","CuKα","","0.0812","0.076","","","0.1947","0.2023","","","","","","0.976","","","","has coordinates,has disorder","226748","2020-10-21","18:00:00",""
"4035283","28.146","0.01","28.146","0.01","9.275","0.007","90","","90","","120","","6363","6","273","2","273","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C306 H198 Cl18 N36 -","18","1","","Wang, Zi-Xuan; Xiang, Jia-Chen; Cheng, Yan; Ma, Jin-Tian; Wu, Yan-Dong; Wu, An-Xin","Direct Biomimetic Synthesis of β-Carboline Alkaloids from Two Amino Acids.","The Journal of organic chemistry","2018","83","19","12247","12254","10.1021/acs.joc.8b01668","","","0.71073","MoKα","","0.0952","0.0534","","","0.1543","0.1802","","","","","","1.026","","","","has coordinates","226749","2020-10-21","18:00:00",""
"4035284","9.2983","0.0019","9.5365","0.0019","10.425","0.002","107.87","0.03","104.21","0.03","109.44","0.03","764.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C36 H30 Br2 O4 -","2","1","","Qi, Chaorong; Peng, Youbin; Wang, Lu; Ren, Yanwei; Jiang, Huanfeng","Copper-Catalyzed [2 + 3] Cyclization of α-Hydroxyl Ketones and Arylacetonitriles: Access to Multisubstituted Butenolides and Oxazoles.","The Journal of organic chemistry","2018","83","19","11926","11935","10.1021/acs.joc.8b01822","","","0.71073","MoKα","","0.088","0.0558","","","0.1499","0.1873","","","","","","1.005","","","","has coordinates","226750","2020-10-21","18:00:00",""
"4035285","8.7532","0.0003","9.7766","0.0003","11.3827","0.0003","90","","90","","90","","974.09","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F2 N O -","- C11 H11 F2 N O -","- C44 H44 F8 N4 O4 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0361","0.0327","","","0.0801","0.0827","","","","","","1.071","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035286","6.9994","0.0003","10.6106","0.0005","7.0797","0.0003","90","","99.157","0.004","90","","519.09","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H9 F2 N O3 -","- C11 H9 F2 N O3 -","- C22 H18 F4 N2 O6 -","2","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0328","0.0309","","","0.0767","0.0784","","","","","","1.066","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035287","6.9511","0.0002","14.8231","0.0006","18.5823","0.0007","90","","90","","90","","1914.66","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F2 N2 O4 -","- C21 H18 F2 N2 O4 -","- C84 H72 F8 N8 O16 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0619","0.054","","","0.1246","0.1341","","","","","","1.104","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035288","8.1579","0.0007","9.1776","0.0008","12.6068","0.0007","89.277","0.006","80.133","0.006","68.721","0.008","865.25","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C40 H34 F6 N4 O4 -","2","1","","Koronatov, Alexander N.; Rostovskii, Nikolai V.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Ring Expansion of Pyrazoles with Diazocarbonyl Compounds as a Method for the Preparation of 1,2-Dihydropyrimidines.","The Journal of organic chemistry","2018","83","16","9210","9219","10.1021/acs.joc.8b01228","","","0.71073","MoKα","","0.0479","0.0399","","","0.0949","0.1025","","","","","","1.029","","","","has coordinates","226752","2020-10-21","18:00:00",""
"4035289","8.3394","0.0007","8.791","0.0007","22.1495","0.0018","90","","90","","90","","1623.8","0.2","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","DeForest, Jacob C.; Samame, Renzo A.; Suryn, Gregory; Burtea, Alexander; Rychnovsky, Scott D.","Second-Generation Synthesis of (+)-Fastigiatine Inspired by Conformational Studies.","The Journal of organic chemistry","2018","83","16","8914","8925","10.1021/acs.joc.8b01144","","","0.71073","MoKα","","0.0363","0.0334","","","0.0839","0.0865","","","","","","1.048","","","","has coordinates","226753","2020-10-21","18:00:00",""
"4035290","4.957","0.0008","14.3567","0.0019","19.457","0.003","90","","90","","90","","1384.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F N O2 -","- C18 H11 F N O2 -","- C72 H44 F4 N4 O8 -","4","1","","Choudhary, Sachin; Pawar, Amol Prakash; Yadav, Jyothi; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","One-Pot Synthesis of Chiral Tetracyclic Dibenzo[ b, f][1,4]oxazepine-Fused 1,2-Dihydropyridines (DHPs) under Metal-Free Conditions.","The Journal of organic chemistry","2018","83","16","9231","9239","10.1021/acs.joc.8b01232","","","0.71073","MoKα","","0.226","0.1279","","","0.2552","0.323","","","","","","1.057","","","","has coordinates","226754","2020-10-21","18:00:00",""
"4035291","8.5723","0.0005","7.0541","0.0004","10.5423","0.0005","90","","103.424","0.006","90","","620.07","0.06","298.2","","298.2","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C12 H14 N6 -","- C12 H14 N6 -","- C24 H28 N12 -","2","0.5","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","x-ray","0.71073","MoKα","","0.1123","0.0708","","","0.1991","0.2566","","","","","","1.044","","","","has coordinates,has disorder","226755","2020-10-21","18:00:00",""
"4035292","12.4879","0.0008","9.0357","0.0005","11.6782","0.0008","90","","106.091","0.007","90","","1266.11","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetrazol","N-(tert-butyl)-1-(2-chlorophenyl)-1H-tetrazol-5-amine","","- C11 H14 Cl N5 -","- C11 H14 Cl N5 -","- C44 H56 Cl4 N20 -","4","1","","Pathare, Ramdas S.; Ansari, Arshad J.; Verma, Sarika; Maurya, Anand; Maurya, Antim K.; Agnihotri, Vijai K.; Sharon, Ashoke; Pardasani, Ram T.; Sawant, Devesh M.","Sequential Pd(0)/Fe(III) Catalyzed Azide-Isocyanide Coupling/Cyclization Reaction: One-Pot Synthesis of Aminotetrazoles.","The Journal of organic chemistry","2018","83","16","9530","9537","10.1021/acs.joc.8b01261","","","0.71073","MoKα","","0.0524","0.0414","","","0.1027","0.1103","","","","","","1.044","","","","has coordinates","226756","2020-10-21","18:00:00",""
"4035293","10.9158","0.0004","12.3528","0.0004","13.1488","0.0005","96.328","0.003","104.212","0.003","92.839","0.003","1702.85","0.11","139.3","0.3","139.3","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 B F2 N2 -","- C44 H31 B F2 N2 -","- C88 H62 B2 F4 N4 -","2","1","","Yang, Xiuguang; Jiang, Linfeng; Yang, Mufan; Zhang, Huaxing; Lan, Jingbo; Zhou, Fulin; Chen, Xingyu; Wu, Di; You, Jingsong","Pd-Catalyzed Direct C-H Functionalization/Annulation of BODIPYs with Alkynes to Access Unsymmetrical Benzo[ b]-Fused BODIPYs: Discovery of Lysosome-Targeted Turn-On Fluorescent Probes.","The Journal of organic chemistry","2018","83","16","9538","9546","10.1021/acs.joc.8b01239","","x-ray","1.54184","CuKα","","0.0616","0.0536","","","0.1506","0.16","","","","","","1.028","","","","has coordinates","226757","2020-10-21","18:00:00",""
"4035294","6.817","0.004","7.077","0.004","15.985","0.009","90","","101.96","0.007","90","","754.4","0.7","88","2","88","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N5 O3 -","- C16 H15 N5 O3 -","- C32 H30 N10 O6 -","2","1","","Bala, Saikat; Liao, Jen-Yu; Zhang, Li; Tran, Chantel N.; Chim, Nicholas; Chaput, John C.","Synthesis of 2'-Deoxy-α-l-threofuranosyl Nucleoside Triphosphates.","The Journal of organic chemistry","2018","83","16","8840","8850","10.1021/acs.joc.8b00875","","","0.71073","MoKα","","0.0324","0.0311","","","0.0791","0.0801","","","","","","1.048","","","","has coordinates","226758","2020-10-21","18:00:00",""
"4035295","18.3046","0.0018","13.3125","0.0013","4.6946","0.0005","90","","90","","90","","1144","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Festa, Alexey A.; Zalte, Rajesh R.; Golantsov, Nikita E.; Varlamov, Alexey V.; Van der Eycken, Erik V.; Voskressensky, Leonid G.","DBU-Catalyzed Alkyne-Imidate Cyclization toward 1-Alkoxypyrazino[1,2- a]indole Synthesis.","The Journal of organic chemistry","2018","83","16","9305","9311","10.1021/acs.joc.8b01279","","","0.71073","MoKα","","0.0595","0.0456","","","0.1009","0.1097","","","","","","1.033","","","","has coordinates","226759","2020-10-21","18:00:00",""
"4035296","11.4544","0.0002","9.3869","0.0002","12.7713","0.0003","90","","115.08","0.001","90","","1243.72","0.05","302","2","301.72","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H27 N3 O2 -","- C30 H27 N3 O2 -","- C60 H54 N6 O4 -","2","1","","Li, Can; Xu, Dan-Ni; Ma, Chun; Mei, Guang-Jian; Shi, Feng","Diastereo- and Enantioselective Construction of Dihydrobenzo[ e]indole Scaffolds via Catalytic Asymmetric [3 + 2] Cycloannulations.","The Journal of organic chemistry","2018","83","16","9190","9200","10.1021/acs.joc.8b01217","","","1.34139","GaKα","","0.0576","0.0491","","","0.106","0.1128","","","","","","1.1","","","","has coordinates,has disorder","226760","2020-10-21","18:00:00",""
"4035297","15.4128","0.0008","15.3848","0.0008","16.322","0.0008","90","","111.557","0.002","90","","3599.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H12 B2 F18 O S4 -","- C34 H12 B2 F18 O S4 -","- C136 H48 B8 F72 O4 S16 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0482","0.0408","","","0.0998","0.1059","","","","","","1.031","","","","has coordinates,has disorder","226761","2020-10-21","18:00:00",""
"4035298","9.2316","0.0003","24.672","0.0008","32.5936","0.001","90","","90","","90","","7423.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H16 B2 F18 O S2 -","- C38 H16 B2 F18 O S2 -","- C304 H128 B16 F144 O8 S16 -","8","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0642","0.0526","","","0.1409","0.1534","","","","","","1.028","","","","has coordinates,has disorder","226762","2020-10-21","18:00:00",""
"4035299","11.7222","0.0005","15.869","0.0006","17.8469","0.0007","90","","107.107","0.001","90","","3173","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H6 B2 Br2 F18 O S2 -","- C26 H6 B2 Br2 F18 O S2 -","- C104 H24 B8 Br8 F72 O4 S8 -","4","1","","Yan, Qifan; Yin, Mengxuan; Chen, Cheng; Zhang, Yuankun","An Air-Stable Organoboron Compound, Dithienooxadiborepine: Preparation and Functionalization.","The Journal of organic chemistry","2018","83","16","9096","9102","10.1021/acs.joc.8b01188","","","0.71073","MoKα","","0.0719","0.048","","","0.115","0.1329","","","","","","1.02","","","","has coordinates,has disorder","226763","2020-10-21","18:00:00",""
"4035300","9.918","0.0004","9.8167","0.0004","12.7446","0.0005","90","","99.023","0.002","90","","1225.49","0.09","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl2 F6 N3 O2 S -","- C20 H23 Cl2 F6 N3 O2 S -","- C40 H46 Cl4 F12 N6 O4 S2 -","2","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0514","0.0494","","","0.1448","0.1465","","","","","","1.047","","","","has coordinates,has disorder","226765","2020-10-21","18:00:00",""
"4035301","12.9162","0.0004","31.0699","0.001","5.8565","0.0002","90","","90","","90","","2350.24","0.13","193","2","193","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C19 H22 Cl F6 N3 O2 S -","- C19 H22 Cl F6 N3 O2 S -","- C76 H88 Cl4 F24 N12 O8 S4 -","4","1","","Elías-Rodríguez, Pilar; Pingitore, Valeria; Carmona, Ana T.; Moreno-Vargas, Antonio J; Ide, Daisuke; Miyawaki, Shota; Kato, Atsushi; Álvarez, Eleuterio; Robina, Inmaculada","Discovery of a Potent α-Galactosidase Inhibitor by in Situ Analysis of a Library of Pyrrolizidine-(Thio)urea Hybrid Molecules Generated via Click Chemistry.","The Journal of organic chemistry","2018","83","16","8863","8873","10.1021/acs.joc.8b01073","","","0.71073","MoKα","","0.0599","0.0554","","","0.1344","0.1369","","","","","","1.15","","","","has coordinates","226765","2020-10-21","18:00:00",""
"4035302","15.9861","0.0005","22.1765","0.0007","22.9883","0.0008","90","","98.546","0.003","90","","8059.2","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H105 N4 O4 Pd2 -","- C91 H105 N4 O4 Pd2 -","- C364 H420 N16 O16 Pd8 -","4","1","","P, Sreejyothi; Sau, Samaresh Chandra; Vardhanapu, Pavan K.; Mandal, Swadhin K.","Halo-Bridged Abnormal NHC Palladium(II) Dimer for Catalytic Dehydrogenative Cross-Coupling Reactions of Heteroarenes.","The Journal of organic chemistry","2018","83","16","9403","9411","10.1021/acs.joc.8b01053","","","0.71073","MoKα","","0.1605","0.0708","","","0.158","0.2138","","","","","","1.04","","","","has coordinates","226766","2020-10-21","18:00:00",""
"4035303","9.6495","0.0003","15.4042","0.0004","22.5104","0.0006","107.095","0.002","99.206","0.002","98.222","0.002","3092.28","0.16","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O6 -","- C17 H15 N O6 -","- C136 H120 N8 O48 -","8","4","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","(3 + 3) Annulation of Nitroallylic Acetates with Stabilized Sulfur Ylides for the Synthesis of 2-Aryl Terephthalates.","The Journal of organic chemistry","2018","83","16","9471","9477","10.1021/acs.joc.8b00917","","x-ray","0.71073","MoKα","","0.0816","0.0537","","","0.1593","0.193","","","","","","1.043","","","","has coordinates","226767","2020-10-21","18:00:00",""
"4035304","6.463","0.004","25.511","0.011","15.188","0.008","90","","98.83","0.03","90","","2474","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl6 N2 O3 -","- C23 H22 Cl6 N2 O3 -","- C92 H88 Cl24 N8 O12 -","4","1","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.27","0.0997","","","0.1518","0.1999","","","","","","0.999","","","","has coordinates","226768","2020-10-21","18:00:00",""
"4035305","14.6326","0.001","15.7476","0.0011","17.794","0.0014","103.712","0.004","97.16","0.004","109.753","0.003","3653.8","0.5","145","2","145","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","- C176 H176 Cl8 N16 O16 -","4","2","","Regar, Ramprasad; Mishra, Ruchika; Mondal, Pradip Kumar; Sankar, Jeyaraman","Metal-free Annulation at the Ortho- and Bay-Positions of Perylene Bisimide Leading to Lateral π-Extension with Strong NIR Absorption.","The Journal of organic chemistry","2018","83","16","9547","9552","10.1021/acs.joc.8b01303","","","0.71073","MoKα","","0.1817","0.1047","","","0.2466","0.2772","","","","","","1.06","","","","has coordinates","226769","2020-10-21","18:00:00",""
"4035306","7.3093","0.0015","8.79","0.0018","10.723","0.002","104.2","0.03","97.61","0.03","94.71","0.03","657.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.057","0.0429","","","0.0625","0.0631","","","","","","2.94","","","","has coordinates","226770","2020-10-21","18:00:00",""
"4035307","8.0848","0.0006","11.6383","0.0011","13.0505","0.001","90","","90.708","0.007","90","","1227.87","0.18","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.079","0.0483","","","0.098","0.117","","","","","","1.061","","","","has coordinates","226771","2020-10-21","18:00:00",""
"4035308","14.5199","0.0016","8.9603","0.0009","26.373","0.002","90","","95.697","0.01","90","","3414.2","0.6","294.99","0.1","294.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C176 H128 N16 O16 -","8","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1436","0.0591","","","0.1123","0.1651","","","","","","0.976","","","","has coordinates","226772","2020-10-21","18:00:00",""
"4035309","9.7816","0.0009","9.7843","0.001","9.9643","0.0007","85.321","0.007","76.276","0.007","68.418","0.009","861.45","0.15","294.99","0.1","294.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C44 H32 N4 O6 -","2","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1007","0.0535","","","0.1059","0.1348","","","","","","1.046","","","","has coordinates","226773","2020-10-21","18:00:00",""
"4035310","11.5098","0.0011","7.8907","0.0008","18.8395","0.0017","90","","93.993","0.009","90","","1706.9","0.3","295.66","0.1","295.66","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1315","0.0595","","","0.1004","0.1405","","","","","","1.043","","","","has coordinates","226774","2020-10-21","18:00:00",""
"4035311","8.8381","0.0008","10.2546","0.0011","16.1701","0.0019","90","","99.358","0.01","90","","1446","0.3","294.71","0.1","294.71","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Zhang, Cheng; Chang, Sailan; Dong, Shanliang; Qiu, Lihua; Xu, Xinfang","Acid-Promoted Bicyclization of Diaryl Alkynes: Synthesis of 2 H-Indazoles with in Situ Generated Diazonium Salt as Nitrogen Source.","The Journal of organic chemistry","2018","83","16","9125","9136","10.1021/acs.joc.8b01199","","","0.71073","MoKα","","0.1139","0.0553","","","0.1065","0.1346","","","","","","1.021","","","","has coordinates","226775","2020-10-21","18:00:00",""
"4035312","3.9658","0.0003","17.1192","0.0013","12.3386","0.0011","90","","92.913","0.008","90","","836.6","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 S -","- C8 H9 N3 S -","- C32 H36 N12 S4 -","4","1","","Yu, Wentao; Huang, Yubing; Li, Jianxiao; Tang, Xiaodong; Wu, Wanqing; Jiang, Huanfeng","Copper-Catalyzed Aerobic Oxidative [3+2] Annulation for the Synthesis of 5-Amino/Imino-Substituted 1,2,4-Thiadiazoles through C-N/N-S Bond Formation.","The Journal of organic chemistry","2018","83","16","9334","9343","10.1021/acs.joc.8b01292","","x-ray","0.71073","MoKα","","0.0507","0.0421","","","0.0893","0.0932","","","","","","1.09","","","","has coordinates","226776","2020-10-21","18:00:00",""
"4035313","9.6425","0.001","12.1438","0.0014","20.772","0.002","90","","90","","90","","2432.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl2 N2 O7 -","- C24 H22 Cl2 N2 O7 -","- C96 H88 Cl8 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.1162","0.0449","","","0.099","0.1287","","","","","","0.992","","","","has coordinates","226777","2020-10-21","18:00:00",""
"4035314","9.6537","0.0004","10.4079","0.0004","23.45","0.0009","90","","90","","90","","2356.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N2 O7 -","- C24 H23 Cl N2 O7 -","- C96 H92 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0375","0.0313","","","0.0824","0.0873","","","","","","1.065","","","","has coordinates","226778","2020-10-21","18:00:00",""
"4035315","9.9064","0.0007","14.4276","0.001","16.9123","0.0011","90","","90","","90","","2417.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O7 -","- C23 H27 Cl N2 O7 -","- C92 H108 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0547","0.0353","","","0.0828","0.0938","","","","","","1.029","","","","has coordinates","226779","2020-10-21","18:00:00",""
"4035316","6.1542","0.0007","11.9256","0.0012","12.317","0.0014","109.823","0.004","98.135","0.004","104.068","0.004","799.68","0.16","276","2","276","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N S -","- C21 H15 N S -","- C42 H30 N2 S2 -","2","1","","Ma, Yong-Gang; Huang, Meng-Qiao; Liu, Zhenhua; Liu, Jian-Quan; Wang, Xiang-Shan","Synthesis of Substituted 4 H-Thiochromen-4-imines via Copper-Catalyzed Cyclization Cascades of o-Bromobenzothioamides with Terminal Alkynes.","The Journal of organic chemistry","2018","83","16","9504","9509","10.1021/acs.joc.8b01180","","","0.71073","MoKα","","0.1483","0.0685","","","0.1056","0.1258","","","","","","1.05","","","","has coordinates","226780","2020-10-21","18:00:00",""
"4035317","6.7516","0.0003","11.9488","0.0005","15.6306","0.0007","90","","90","","90","","1260.98","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","1.54178","CuKα","","0.0464","0.0463","","","0.1263","0.1263","","","","","","1.114","","","","has coordinates","226781","2020-10-21","18:00:00",""
"4035318","12.7547","0.0017","11.3387","0.0015","16.8","0.002","90","","90","","90","","2429.6","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","0.71073","","","0.08","0.045","","","0.1001","0.1121","","","","","","0.968","","","","has coordinates","226782","2020-10-21","18:00:00",""
"4035319","19.817","0.003","8.0545","0.001","13.0062","0.0016","90","","90.266","0.01","90","","2076","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Wang, Xiaoxia; Li, Jianyong; Yuan, Ting; You, Bingxin; Xie, Guanqun; Lv, Xin","Additive Tuned Selective Synthesis of Bicyclo[3.3.0]octan-1-ols and Bicyclo[3.1.0]hexan-1-ols Mediated by AllylSmBr.","The Journal of organic chemistry","2018","83","16","8984","8994","10.1021/acs.joc.8b01170","","","0.71073","MoKα","","0.1457","0.0641","","","0.1515","0.1881","","","","","","0.927","","","","has coordinates","226783","2020-10-21","18:00:00",""
"4035320","13.0228","0.0004","5.7","0.0002","22.0772","0.0008","90","","95.706","0.0019","90","","1630.67","0.1","123","","123","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 H18 F4 -","- C20 H18 F4 -","- C80 H72 F16 -","4","1","","Iwasaki, Takanori; Min, Xin; Fukuoka, Asuka; Zhu, Longzhi; Qiu, Renhua; Yang, Tao; Ehara, Masahiro; Sudalai, Arumugam; Kambe, Nobuaki","Ni-Catalyzed Dimerization and Hydroperfluoroarylation of 1,3-Dienes.","The Journal of organic chemistry","2018","83","16","9267","9277","10.1021/acs.joc.8b01266","","","1.54187","CuKα","","0.1354","0.1007","","","0.2756","0.321","","","","","","1.116","","","","has coordinates","226784","2020-10-21","18:00:00",""
"4035321","13.75","0.003","8.4604","0.0017","15.96","0.003","90","","98.479","0.002","90","","1836.3","0.6","571","2","571.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O3 S2 -","- C18 H20 O3 S2 -","- C72 H80 O12 S8 -","4","1","","Huang, Shuai; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Copper-Catalyzed Oxidative Trifunctionalization of Olefins: An Access to Functionalized β-Keto Thiosulfones.","The Journal of organic chemistry","2018","83","16","9449","9455","10.1021/acs.joc.8b01161","","","0.71073","MoKα","","0.0509","0.0378","","","0.0937","0.1059","","","","","","1.088","","","","has coordinates","226785","2020-10-21","18:00:00",""
"4035322","7.9251","0.0007","9.4318","0.0009","22.324","0.002","90","","90","","90","","1668.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Brewster, 2nd, James T; Zafar, Hadiqa; McVeigh, Matthew; Wight, Christopher D.; Anguera, Gonzalo; Steinbrück, Axel; Lynch, Vincent M.; Sessler, Jonathan L.","Gram-Scale Synthesis of a Bench-Stable 5,5″-Unsubstituted Terpyrrole.","The Journal of organic chemistry","2018","83","16","9568","9570","10.1021/acs.joc.8b01333","","","0.71073","MoKα","","0.0521","0.0386","","","0.0772","0.082","","","","","","1.034","","","","has coordinates","226786","2020-10-21","18:00:00",""
"4035323","9.8775","0.0008","15.4447","0.0013","11.7776","0.001","90","","94.832","0.002","90","","1790.3","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Br N2 O3 S -","- C18 H21 Br N2 O3 S -","- C72 H84 Br4 N8 O12 S4 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.099","0.0592","","","0.1122","0.1245","","","","","","1.167","","","","has coordinates,has disorder","226787","2020-10-21","18:00:00",""
"4035324","10.2525","0.0003","11.9028","0.0003","16.368","0.0005","90","","90","","90","","1997.44","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br I N2 O3 -","- C20 H18 Br I N2 O3 -","- C80 H72 Br4 I4 N8 O12 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.0838","0.0455","","","0.056","0.0653","","","","","","1.006","","","","has coordinates","226788","2020-10-21","18:00:00",""
"4035325","12.5595","0.0005","22.6599","0.0009","13.5242","0.0005","90","","116.048","0.002","90","","3458","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 N2 O2 -","- C37 H48 N2 O2 -","- C148 H192 N8 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.1496","0.0672","","","0.1384","0.1756","","","","","","1.013","","","","has coordinates,has disorder","226789","2020-10-21","18:00:00",""
"4035326","9.1165","0.0001","17.6729","0.0002","16.5085","0.0002","90","","94.4057","0.0007","90","","2651.91","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cl2 N4 O2 -","- C29 H24 Cl2 N4 O2 -","- C116 H96 Cl8 N16 O8 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0728","0.0447","","","0.1098","0.1251","","","","","","1.038","","","","has coordinates","226790","2020-10-21","18:00:00",""
"4035327","16.5113","0.0004","18.4826","0.0004","31.1034","0.0007","90","","90","","90","","9491.9","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl4 N2 -","- C32 H36 Cl4 N2 -","- C384 H432 Cl48 N24 -","12","3","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0757","0.0437","","","0.0838","0.0983","","","","","","1.035","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035328","9.4282","0.0001","14.6095","0.0002","23.4717","0.0003","90","","99.2723","0.0007","90","","3190.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Cl2 N2 O3 -","- C33 H36 Cl2 N2 O3 -","- C132 H144 Cl8 N8 O12 -","4","1","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0942","0.0595","","","0.1656","0.1905","","","","","","1.061","","","","has coordinates,has disorder","226792","2020-10-21","18:00:00",""
"4035329","10.9887","0.0004","21.4189","0.001","19.5842","0.0008","90","","104.087","0.004","90","","4470.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cl2 N3 Pd -","- C50 H61 Cl2 N3 Pd -","- C200 H244 Cl8 N12 Pd4 -","4","1","","Huang, Fei-Dong; Xu, Chang; Lu, Dong-Dong; Shen, Dong-Sheng; Li, Tian; Liu, Feng-Shou","Pd-PEPPSI-IPent<sup>An</sup> Promoted Deactivated Amination of Aryl Chlorides with Amines under Aerobic Conditions.","The Journal of organic chemistry","2018","83","16","9144","9155","10.1021/acs.joc.8b01205","","","0.71073","MoKα","","0.0707","0.0641","","","0.1419","0.1463","","","","","","1.032","","","","has coordinates,has disorder","226793","2020-10-21","18:00:00",""
"4035330","6.7763","0.0009","8.5591","0.0007","13.2125","0.0014","95.469","0.008","100.076","0.01","99.918","0.009","736.97","0.14","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H8 F3 N5 -","- C17 H8 F3 N5 -","- C34 H16 F6 N10 -","2","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","0.71073","MoKα","","0.0559","0.0485","","","0.1228","0.1291","","","","","","1.006","","","","has coordinates","226794","2020-10-21","18:00:00",""
"4035331","12.1586","0.0007","6.2942","0.0004","20.7512","0.0012","90","","95.028","0.005","90","","1581.95","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H8 F5 N3 O -","- C19 H8 F5 N3 O -","- C76 H32 F20 N12 O4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0918","0.0585","","","0.156","0.2158","","","","","","1.081","","","","has coordinates","226795","2020-10-21","18:00:00",""
"4035332","9.7769","0.0007","27.14","0.003","6.6499","0.0007","90","","106.914","0.009","90","","1688.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H6 F3 N7 S -","- C17 H6 F3 N7 S -","- C68 H24 F12 N28 S4 -","4","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.1245","0.0715","","","0.1844","0.2159","","","","","","0.94","","","","has coordinates","226796","2020-10-21","18:00:00",""
"4035333","15.4804","0.0004","7.6884","0.0002","20.7339","0.0006","90","","90","","90","","2467.74","0.12","100.3","0.4","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 F3 N3 O -","- C14 H8 F3 N3 O -","- C112 H64 F24 N24 O8 -","8","1","","Zissimou, Georgia A.; Kourtellaris, Andreas; Manoli, Maria; Koutentis, Panayiotis A.","Redox Active Quinoidal 1,2,4-Benzotriazines.","The Journal of organic chemistry","2018","83","16","9391","9402","10.1021/acs.joc.8b01311","","","1.54184","CuKα","","0.0396","0.0366","","","0.1002","0.1035","","","","","","1.106","","","","has coordinates","226797","2020-10-21","18:00:00",""
"4035334","10.8651","0.0007","13.3406","0.0009","14.6164","0.001","90","","90","","90","","2118.6","0.2","173","","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C96 H96 O32 -","4","1","","Tsukamoto, Hirokazu; Hanada, Shogo; Nomura, Yumi; Doi, Takayuki","Total Synthesis of Spiromamakone A and Structure Revision of Spiropreussione A.","The Journal of organic chemistry","2018","83","16","9430","9441","10.1021/acs.joc.8b01075","","","0.71075","MoKα","","0.0639","0.0492","","","0.104","0.1175","","","","","","1.228","","","","has coordinates","226798","2020-10-21","18:00:00",""
"4035335","9.5614","0.0009","23.1922","0.0014","10.6309","0.0009","90","","114.258","0.011","90","","2149.3","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F2 O2 -","- C11 H18 F2 O2 -","- C88 H144 F16 O16 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1011","0.0623","","","0.1565","0.1688","","","","","","0.947","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035336","8.1651","0.0004","8.2944","0.0004","22.5849","0.001","90","","90","","90","","1529.55","0.13","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H12 F2 O2 -","- C7 H12 F2 O2 -","- C56 H96 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0464","0.0371","","","0.0859","0.0927","","","","","","1.06","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035337","23.884","0.003","7.4165","0.0011","10.908","0.0015","90","","94.654","0.013","90","","1925.8","0.5","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H16 F2 O2 -","- C9 H16 F2 O2 -","- C72 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.0544","0.0437","","","0.1121","0.1223","","","","","","1.057","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035338","12.0498","0.0006","19.0558","0.0006","11.4322","0.0004","90","","100.49","0.004","90","","2581.17","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 F2 O2 -","- C8 H14 F2 O2 -","- C96 H168 F24 O24 -","12","3","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.54184","CuKα","","0.08","0.0535","","","0.1269","0.1446","","","","","","1.028","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035339","9.904","0.002","22.127","0.007","9.113","0.002","90","","90","","90","","1997.1","0.9","153","2","153","2","","","","","","","","4","P n a a","-P 2ac 2bc","56","","","","- C10 H16 F2 O2 -","- C10 H16 F2 O2 -","- C80 H128 F16 O16 -","8","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71073","MoKα","","0.1202","0.0854","","","0.2166","0.2508","","","","","","1.059","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035340","10.0193","0.0003","8.5428","0.0002","15.3195","0.0004","90","","105.197","0.003","90","","1265.39","0.06","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0415","0.0393","","","0.1051","0.1073","","","","","","1.033","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035341","10.4923","0.0003","10.7404","0.0003","9.7986","0.0003","90","","97.835","0.003","90","","1093.91","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C48 H48 F8 O12 -","4","1","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","1.5418","CuKα","","0.0495","0.0474","","","0.1291","0.1314","","","","","","1.077","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035342","18.0944","0.0013","6.5258","0.0005","18.8242","0.0014","90","","90","","90","","2222.8","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H16 F2 O4 -","- C11 H16 F2 O4 -","- C88 H128 F16 O32 -","8","2","","McCarter, Adam W.; Sommer, Magdalena; Percy, Jonathan M.; Jamieson, Craig; Kennedy, Alan R.; Hirst, David J.","Atom Efficient Synthesis of Selectively Difluorinated Carbocycles through a Gold(I)-Catalyzed Cyclization.","The Journal of organic chemistry","2018","83","16","8888","8905","10.1021/acs.joc.8b01121","","","0.71075","MoKα","","0.0969","0.0709","","","0.1692","0.1822","","","","","","1.068","","","","has coordinates","226799","2020-10-21","18:00:00",""
"4035343","8.4766","0.0004","18.0301","0.0008","14.2702","0.0006","90","","103.578","0.0013","90","","2120.02","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 O2 P -","- C26 H23 O2 P -","- C104 H92 O8 P4 -","4","1","","Yuen, On Ying; Leung, Man Pan; So, Chau Ming; Sun, Raymond Wai-Yin; Kwong, Fuk Yee","Palladium-Catalyzed Direct Arylation of Polyfluoroarenes for Accessing Tetra- ortho-Substituted Biaryls: Buchwald-type Ligand Having Complementary -PPh<sub>2</sub> Moiety Exhibits Better Efficiency.","The Journal of organic chemistry","2018","83","16","9008","9017","10.1021/acs.joc.8b01176","","","0.71073","MoKα","","0.039","0.0345","","","0.0905","0.0948","","","","","","1.055","","","","has coordinates","226800","2020-10-21","18:00:00",""
"4035344","11.1803","0.0013","7.9059","0.0009","21.793","0.002","90","","90","","90","","1926.3","0.4","200","2","200","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0964","0.0557","","","0.1084","0.1225","","","","","","1.071","","","","has coordinates","226801","2020-10-21","18:00:00",""
"4035345","25.349","0.004","16.304","0.003","24.858","0.004","90","","90","","90","","10274","3","90","2","90","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H40 Cl2 Co N8 -","- C46 H40 Cl2 Co N8 -","- C368 H320 Cl16 Co8 N64 -","8","1","","Wu, Jing; Zeng, Haisu; Cheng, Jessica; Zheng, Shengping; Golen, James A.; Manke, David R.; Zhang, Guoqi","Cobalt(II) Coordination Polymer as a Precatalyst for Selective Hydroboration of Aldehydes, Ketones, and Imines.","The Journal of organic chemistry","2018","83","16","9442","9448","10.1021/acs.joc.8b01094","","","0.71073","MoKα","","0.0442","0.0342","","","0.0895","0.0948","","","","","","1.044","","","","has coordinates,has disorder","226802","2020-10-21","18:00:00",""
"4035346","11.5436","0.0006","14.5336","0.0007","14.7482","0.0008","99.894","0.002","103.021","0.002","107.072","0.002","2228","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl2 O2 -","- C50 H34 Cl2 O2 -","- C100 H68 Cl4 O4 -","2","1","","Kong, Xiangwen; Yang, Shuang; Yu, Fang; Vasamsetty, Laxmaiah; Liu, Jian; Liu, Shuhua; Liu, Xiaozhi; Fang, Xinqiang","Cyclopentadienone Formation from β,γ-Unsaturated Cyclopentenones and Its Application in Diels-Alder Reactions.","The Journal of organic chemistry","2018","83","16","8953","8961","10.1021/acs.joc.8b01150","","","0.71073","MoKα","","0.1058","0.0981","","","0.2189","0.2222","","","","","","1.148","","","","has coordinates","226803","2020-10-21","18:00:00",""
"4035347","5.9965","0.0002","35.6863","0.0012","12.4237","0.0004","90","","101.068","0.001","90","","2609.13","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 O2 -","- C34 H36 O2 -","- C136 H144 O8 -","4","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0441","0.0406","","","0.1057","0.1085","","","","","","1.037","","","","has coordinates","226804","2020-10-21","18:00:00",""
"4035348","9.9603","0.0005","12.4411","0.0007","12.4653","0.0007","81.911","0.002","86.691","0.002","71.216","0.002","1447.72","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 Cl O2 -","- C36 H37 Cl O2 -","- C72 H74 Cl2 O4 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0359","0.0351","","","0.0936","0.0943","","","","","","1.023","","","","has coordinates","226805","2020-10-21","18:00:00",""
"4035349","10.0553","0.0003","10.7561","0.0004","13.7858","0.0005","86.384","0.001","69.605","0.001","71.368","0.001","1322.34","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O3 -","- C31 H36 O3 -","- C62 H72 O6 -","2","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0458","0.0411","","","0.103","0.1063","","","","","","1.026","","","","has coordinates","226806","2020-10-21","18:00:00",""
"4035350","32.1927","0.001","18.4712","0.0005","11.935","0.0004","90","","90","","90","","7097","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38.5 H41 Cl O5 -","- C38 H40 O5 -","- C304 H320 O40 -","8","1","","Sharma, Brijesh M.; Rathod, Jayant; Gonnade, Rajesh G.; Kumar, Pradeep","Harnessing Nucleophilicity of Allenol Ester with p-Quinone Methides via Gold Catalysis: Application to the Synthesis of Diarylmethine-Substituted Enones.","The Journal of organic chemistry","2018","83","16","9353","9363","10.1021/acs.joc.8b01294","","","0.71073","MoKα","","0.0404","0.0374","","","0.0917","0.0932","","","","","","1.03","","","","has coordinates,has disorder","226807","2020-10-21","18:00:00",""
"4035351","7.0079","0.0005","12.5351","0.0007","16.032","0.0011","104.995","0.004","102.166","0.005","95.758","0.005","1311.81","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N3 O6 -","- C28 H31 N3 O6 -","- C56 H62 N6 O12 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.106","0.0566","","","0.1553","0.1838","","","","","","0.988","","","","has coordinates","226808","2020-10-21","18:00:00",""
"4035352","13.5329","0.0018","13.8394","0.0016","11.9184","0.0013","90","","99.398","0.011","90","","2202.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 F2 N O3 -","- C27 H21 F2 N O3 -","- C108 H84 F8 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.0837","0.0593","","","0.1402","0.1594","","","","","","0.833","","","","has coordinates","226809","2020-10-21","18:00:00",""
"4035353","8.1355","0.0014","27.205","0.005","9.9493","0.0015","90","","92.541","0.016","90","","2199.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.3509","0.1126","","","0.2133","0.3406","","","","","","0.895","","","","has coordinates","226810","2020-10-21","18:00:00",""
"4035354","10.0697","0.0008","12.2401","0.001","13.1515","0.0018","109.522","0.008","104.406","0.008","102.554","0.006","1397.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N O2 -","- C39 H29 N O2 -","- C78 H58 N2 O4 -","2","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1265","0.0523","","","0.1088","0.14","","","","","","0.924","","","","has coordinates","226811","2020-10-21","18:00:00",""
"4035355","11.687","0.0016","26.637","0.003","9.4862","0.001","90","","104.776","0.012","90","","2855.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N3 O7 -","- C29 H35 N3 O7 -","- C116 H140 N12 O28 -","4","1","","Mandal, Sumana; Dwari, Soumita; Jana, Chandan K.","Metal Free C-H Functionalization Enabled Diastereoselective Multicomponent Reaction of N-Heterocycles to Fused Heteropolycycles.","The Journal of organic chemistry","2018","83","16","8874","8887","10.1021/acs.joc.8b01105","","","0.71073","MoKα","","0.1615","0.0823","","","0.1387","0.1736","","","","","","1.024","","","","has coordinates","226812","2020-10-21","18:00:00",""
"4035356","15.4446","0.0006","9.1154","0.0003","19.6449","0.0007","90","","100.925","0.002","90","","2715.56","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0684","0.0533","","","0.1742","0.1899","","","","","","1.442","","","","has coordinates","226813","2020-10-21","18:00:00",""
"4035357","6.1623","0.0002","15.6222","0.0007","21.7282","0.001","90","","90","","90","","2091.75","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0388","0.0325","","","0.0957","0.1066","","","","","","0.733","","","","has coordinates","226814","2020-10-21","18:00:00",""
"4035358","11.228","0.002","11.856","0.003","16.719","0.004","78.871","0.003","76.348","0.003","62.757","0.003","1913.5","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C100 H68 N4 O8 -","4","2","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.1051","0.0591","","","0.1698","0.2207","","","","","","1.047","","","","has coordinates","226815","2020-10-21","18:00:00",""
"4035359","7.5024","0.001","11.7183","0.0016","11.9498","0.0016","103.773","0.002","92.178","0.002","94.681","0.002","1015.2","0.2","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O3 -","- C26 H22 O3 -","- C52 H44 O6 -","2","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0777","0.0505","","","0.1577","0.1886","","","","","","0.931","","","","has coordinates","226816","2020-10-21","18:00:00",""
"4035360","13.228","0.002","8.9299","0.0014","14.873","0.002","90","","97.342","0.002","90","","1742.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Shu, Wen-Ming; Liu, Shan; He, Jian-Xin; Wang, Shuai; Wu, An-Xin","Sequential σ-Bond Insertion/Benzannulation Involving Arynes: Selective Synthesis of Polysubstituted Naphthalenes.","The Journal of organic chemistry","2018","83","16","9156","9165","10.1021/acs.joc.8b01207","","","0.71073","MoKα","","0.0881","0.0517","","","0.1433","0.172","","","","","","1.025","","","","has coordinates","226817","2020-10-21","18:00:00",""
"4035361","10.9251","0.0004","11.449","0.0004","24.836","0.001","90","","90","","90","","3106.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Br F3 N3 O4 S2 -","- C30 H23 Br F3 N3 O4 S2 -","- C120 H92 Br4 F12 N12 O16 S8 -","4","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric Construction of Bispiro[oxindole-pyrrolidine-rhodanine]s via Squaramide-Catalyzed Domino Michael/Mannich [3 + 2] Cycloaddition of Rhodanine Derivatives with N-(2,2,2-Trifluoroethyl)isatin Ketimines.","The Journal of organic chemistry","2018","83","16","9278","9290","10.1021/acs.joc.8b01245","","","0.71073","MoKα","","0.0502","0.0405","","","0.1059","0.1117","","","","","","1.032","","","","has coordinates","226818","2020-10-21","18:00:00",""
"4035362","19.6401","0.0006","10.0875","0.0002","21.1461","0.0007","90","","90","","90","","4189.5","0.2","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C232 H168 N8 O16 -","8","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0541","0.0424","","","0.0998","0.1071","","","","","","1.027","","","","has coordinates","226819","2020-10-21","18:00:00",""
"4035363","11.0705","0.0004","7.819","0.0003","25.7254","0.0008","90","","101.755","0.003","90","","2180.1","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C116 H84 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0749","0.0609","","","0.1156","0.1226","","","","","","1.048","","","","has coordinates","226820","2020-10-21","18:00:00",""
"4035364","12.04977","0.00019","9.47578","0.00013","16.4721","0.0003","90","","95.4813","0.0015","90","","1872.2","0.05","199.89","0.17","199.89","0.17","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Ding, Ya-Li; Li, Shi-Ning; Cheng, Ying","Selective Synthesis of Multifunctionalized 2,3-Dihydroinden-1-ones and 1,3-Dihydroisobenzofurans from the Reaction of o-Alkynylbenzaldehydes with Imines Steered by N-Heterocyclic Carbene/Copper(II) and N-Heterocyclic Carbene/Base Cascade Catalysis.","The Journal of organic chemistry","2018","83","16","8971","8983","10.1021/acs.joc.8b01163","","x-ray","1.54184","CuKα","","0.0549","0.0446","","","0.1127","0.1195","","","","","","1.037","","","","has coordinates","226821","2020-10-21","18:00:00",""
"4035365","8.7892","0.0018","9.969","0.002","13.277","0.003","86.63","0.03","73.04","0.03","82.14","0.03","1102.1","0.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N O4 -","- C24 H30 N O4 -","- C48 H60 N2 O8 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0866","0.0802","","","0.1852","0.1922","","","","","","1.003","","","","has coordinates","226822","2020-10-21","18:00:00",""
"4035366","7.3673","0.0015","7.5802","0.0015","19.657","0.004","90","","95.16","0.03","90","","1093.3","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.047","0.0451","","","0.1016","0.1029","","","","","","1.015","","","","has coordinates","226823","2020-10-21","18:00:00",""
"4035367","14.819","0.003","7.9577","0.0016","28.38","0.006","90","","100.3","0.03","90","","3292.8","1.2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C176 H120 N8 O16 -","8","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.074","0.067","","","0.1447","0.1495","","","","","","1.012","","","","has coordinates","226824","2020-10-21","18:00:00",""
"4035368","7.3201","0.0005","6.9507","0.0004","27.384","0.003","90","","94.654","0.008","90","","1388.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.1137","0.0831","","","0.2309","0.2435","","","","","","1.001","","","","has coordinates","226825","2020-10-21","18:00:00",""
"4035369","7.1399","0.0004","7.7406","0.0004","12.1414","0.0007","97.466","0.004","102.778","0.005","115.741","0.005","569.62","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C28 H28 N4 O2 -","2","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0794","0.0666","","","0.2255","0.241","","","","","","1.013","","","","has coordinates","226826","2020-10-21","18:00:00",""
"4035370","7.9083","0.0016","11.626","0.002","16.057","0.003","90","","97.59","0.03","90","","1463.4","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0751","0.0673","","","0.143","0.1792","","","","","","1.02","","","","has coordinates","226827","2020-10-21","18:00:00",""
"4035371","6.8668","0.0002","14.1172","0.0003","14.397","0.0004","90","","90","","90","","1395.65","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0677","0.0589","","","0.1721","0.181","","","","","","1.003","","","","has coordinates","226828","2020-10-21","18:00:00",""
"4035372","15.858","0.002","6.8927","0.001","9.0764","0.0012","90","","90","","90","","992.1","0.2","99.99","0.18","99.99","0.18","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C52 H40 N8 O4 -","4","0.5","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0693","0.0503","","","0.1159","0.1314","","","","","","1.021","","","","has coordinates","226829","2020-10-21","18:00:00",""
"4035373","3.846","0.0008","24.811","0.005","12.108","0.002","90","","93.01","0.03","90","","1153.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","0.71073","MoKα","","0.0618","0.0593","","","0.1327","0.1346","","","","","","1.006","","","","has coordinates","226830","2020-10-21","18:00:00",""
"4035374","11.665","0.0008","10.3095","0.0006","14.8218","0.001","90","","94.116","0.003","90","","1777.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","","Muthukumar, Alagesan; Sekar, Govindasamy","Friedel-Crafts Hydroxyalkylation of Indoles with α-Keto Amides using Reusable K<sub>3</sub>PO<sub>4</sub>/ nBu<sub>4</sub>NBr Catalytic System in Water.","The Journal of organic chemistry","2018","83","16","8827","8839","10.1021/acs.joc.8b00844","","","0.71073","MoKα","","0.0632","0.0445","","","0.1061","0.124","","","","","","1.052","","","","has coordinates","226831","2020-10-21","18:00:00",""
"4035375","16.5505","0.0003","10.3454","0.0002","9.53748","0.00017","90","","101.327","0.0017","90","","1601.22","0.05","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O6 S -","- C16 H18 O6 S -","- C64 H72 O24 S4 -","4","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0852","0.0903","","","","","","1.043","","","","has coordinates","226832","2020-10-21","18:00:00",""
"4035376","11.8228","0.0002","12.38285","0.00019","20.3843","0.0004","90","","90","","90","","2984.26","0.09","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H12 Cl N O3 S -","- C17 H12 Cl N O3 S -","- C136 H96 Cl8 N8 O24 S8 -","8","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0347","0.0302","","","0.0754","0.0784","","","","","","1.039","","","","has coordinates","226833","2020-10-21","18:00:00",""
"4035377","15.1873","0.0002","8.41771","0.00012","39.3945","0.0007","90","","90","","90","","5036.28","0.13","100","2","100.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C33 H23 N O4 S2 -","- C33 H23 N O4 S2 -","- C264 H184 N8 O32 S16 -","8","2","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","1.54184","CuKα","","0.0443","0.0417","","","0.1058","0.1073","","","","","","1.151","","","","has coordinates","226834","2020-10-21","18:00:00",""
"4035378","8.4756","0.0002","9.5981","0.0002","17.4464","0.0004","78.921","0.002","83.629","0.002","81.536","0.002","1372.63","0.05","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl N O4 S2 -","- C33 H24 Cl N O4 S2 -","- C66 H48 Cl2 N2 O8 S4 -","2","1","","Ndzeidze, Gilbert N.; Li, Lingzi; Steinmetz, Mark G.","Reversible Triplet Excitation Transfer in a Trimethylene-Linked Thioxanthone and Benzothiophene-2-Carboxanilide that Photochemically Expels Leaving Group Anions.","The Journal of organic chemistry","2018","83","16","8995","9007","10.1021/acs.joc.8b01173","","x-ray","0.71073","MoKα","","0.0431","0.0343","","","0.081","0.0868","","","","","","1.042","","","","has coordinates","226835","2020-10-21","18:00:00",""
"4035379","7.9663","0.0016","14.83","0.003","14.187","0.002","90","","96.629","0.018","90","","1664.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br Mn N2 O3 S -","- C13 H16 Br Mn N2 O3 S -","- C52 H64 Br4 Mn4 N8 O12 S4 -","4","1","","Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar","Selective Synthesis of 2-Substituted and 1,2-Disubstituted Benzimidazoles Directly from Aromatic Diamines and Alcohols Catalyzed by Molecularly Defined Nonphosphine Manganese(I) Complex.","The Journal of organic chemistry","2018","83","16","9553","9560","10.1021/acs.joc.8b01316","","","0.71073","MoKα","","0.2034","0.0923","","","0.1579","0.2151","","","","","","0.903","","","","has coordinates","226836","2020-10-21","18:00:00",""
"4035380","9.00787","0.00016","17.6893","0.0004","10.8349","0.0002","90","","105.322","0.0011","90","","1665.1","0.06","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H34 N2 O5 S2 -","- C42 H34 N2 O5 S2 -","- C84 H68 N4 O10 S4 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0637","","","","0.1706","","","","","","1.073","","","","has coordinates","226837","2020-10-21","18:00:00",""
"4035381","13.9979","0.0003","10.37944","0.00019","14.6537","0.0003","90","","94.048","0.007","90","","2123.73","0.08","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0362","0.0348","","","0.0903","0.0915","","","","","","1.025","","","","has coordinates","226838","2020-10-21","18:00:00",""
"4035382","7.98905","0.00015","15.1809","0.0003","17.4906","0.0003","90","","92.789","0.007","90","","2118.76","0.07","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C104 H92 N4 O12 S4 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0365","0.0346","","","0.0912","0.0925","","","","","","1.038","","","","has coordinates","226839","2020-10-21","18:00:00",""
"4035383","20.0068","0.001","19.8255","0.001","10.7525","0.0005","90","","90","","90","","4264.9","0.4","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C208 H184 N8 O24 S8 -","8","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0799","0.0664","","","0.194","0.2056","","","","","","1.086","","","","has coordinates","226840","2020-10-21","18:00:00",""
"4035384","14.993","0.0004","10.3428","0.0003","17.6768","0.0005","90","","103.888","0.007","90","","2661","0.15","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C124 H144 O24 -","4","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","0.0421","0.0383","","","0.1007","0.1035","","","","","","1.062","","","","has coordinates","226841","2020-10-21","18:00:00",""
"4035385","4.59803","0.00016","7.913","0.0003","9.0802","0.0004","99.351","0.003","93.072","0.003","93.314","0.003","324.77","0.02","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 B F3 N O -","- C5 H5 B F3 N O -","- C10 H10 B2 F6 N2 O2 -","2","1","","Sakata, Yuki; Yasui, Eiko; Takatori, Kazuhiko; Suzuki, Yuji; Mizukami, Megumi; Nagumo, Shinji","Syntheses of Polycyclic Tetrahydrofurans by Cascade Reactions Consisting of Five-Membered Ring Selective Prins Cyclization and Friedel-Crafts Cyclization.","The Journal of organic chemistry","2018","83","16","9103","9118","10.1021/acs.joc.8b01195","","","1.54187","CuKα","","","0.0464","","","","0.1354","","","","","","1.123","","","","has coordinates","226842","2020-10-21","18:00:00",""
"4035386","4.905","0.013","18.25","0.05","13.37","0.03","90","","90.86","0.03","90","","1197","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br F3 N2 O2 -","- C11 H6 Br F3 N2 O2 -","- C44 H24 Br4 F12 N8 O8 -","4","1","","Wu, Jun; Zhang, Hui; Ding, Xiao; Tan, Xuefei; Chen, Jie; He, Weimin; Deng, Hongmei; Song, Liping; Shen, Hong C.; Cao, Weiguo","Potassium Iodide-Promoted One-Pot Synthesis of Fluoroalkylated Quinoxalines via a Tandem Michael Addition/Azidation/Cycloamination Approach.","The Journal of organic chemistry","2018","83","16","9422","9429","10.1021/acs.joc.8b01030","","","0.71073","MoKα","","0.0628","0.0428","","","0.1036","0.1113","","","","","","1.067","","","","has coordinates","226843","2020-10-21","18:00:00",""
"4035387","11.7016","0.0001","32.0199","0.0004","6.8655","0.0001","90","","90","","90","","2572.39","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H35 I N2 O2 -","- C23 H35 I N2 O2 -","- C92 H140 I4 N8 O8 -","4","1","","Hong, Mannkyu; Kim, Yoseph; Kim, Hyejin; Cho, Hee Jin; Baik, Mu-Hyun; Kim, Youngjo","Scorpionate Catalysts for Coupling CO<sub>2</sub> and Epoxides to Cyclic Carbonates: A Rational Design Approach for Organocatalysts.","The Journal of organic chemistry","2018","83","16","9370","9380","10.1021/acs.joc.8b00722","","","0.71073","MoKα","","0.0443","0.0362","","","0.125","0.1306","","","","","","1.008","","","","has coordinates","226844","2020-10-21","18:00:00",""
"4035388","10.9173","0.0006","10.9173","0.0006","15.0401","0.001","90","","90","","90","","1792.59","0.18","200","2","200","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H18 N2 O4 S2 -","- C16 H18 N2 O4 S2 -","- C64 H72 N8 O16 S8 -","4","0.5","","Chaminda Lakmal, Hetti Handi; Xu, Joanna Xiuzhu; Xu, Xue; Ahmed, Bassem; Fong, Christopher; Szalda, David J.; Ramig, Keith; Sygula, Andrzej; Webster, Charles Edwin; Zhang, Dongmao; Cui, Xin","Synthesis of C-Unsubstituted 1,2-Diazetidines and Their Ring-Opening Reactions via Selective N-N Bond Cleavage.","The Journal of organic chemistry","2018","83","16","9497","9503","10.1021/acs.joc.8b01223","","","0.71073","MoKα","","0.0836","0.0545","","","0.094","0.1051","","","","","","1.023","","","","has coordinates","226845","2020-10-21","18:00:00",""
"4035389","11.643","0.002","14.76","0.003","15.957","0.003","90","","90","","90","","2742.2","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br N3 O5 S -","- C29 H26 Br N3 O5 S -","- C116 H104 Br4 N12 O20 S4 -","4","1","","Zhao, Hong-Wu; Feng, Ning-Ning; Guo, Jia-Ming; Du, Juan; Ding, Wan-Qiu; Wang, Li-Ru; Song, Xiu-Qing","Diastereoselective and Enantioselective Synthesis of Barbiturate-Fused Spirotetrahydroquinolines via Chiral Palladium(0)/Ligand Complex Catalyzed [4 + 2] Cycloaddition of Vinyl Benzoxazinanones with Barbiturate-Based Olefins.","The Journal of organic chemistry","2018","83","16","9291","9299","10.1021/acs.joc.8b01268","","","0.71073","MoKα","","0.0648","0.0443","","","0.0737","0.0799","","","","","","1.007","","","","has coordinates","226846","2020-10-21","18:00:00",""
"4035390","15.5704","0.0008","25.7255","0.001","16.0579","0.0009","90","","110.885","0.006","90","","6009.5","0.6","169.8","","169.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H59 Cl6 N15 -","- C62 H59 Cl6 N15 -","- C248 H236 Cl24 N60 -","4","1","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1061","0.062","","","0.1453","0.1762","","","","","","1.022","","","","has coordinates,has disorder","226847","2020-10-21","18:00:00",""
"4035391","26.198","0.0011","15.139","0.0005","31.8305","0.0011","90","","90","","90","","12624.3","0.8","179.3","","179.3","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C136 H128 Cl12 N18 -","- C136 H128 Cl12 N18 -","- C544 H512 Cl48 N72 -","4","0.5","","Jiao, Tianyu; Wu, Guangcheng; Chen, Liang; Wang, Cai-Yun; Li, Hao","Precursor Control over the Self-Assembly of Organic Cages via Imine Condensation.","The Journal of organic chemistry","2018","83","20","12404","12410","10.1021/acs.joc.8b01421","","","0.71073","MoKα","","0.1354","0.0956","","","0.2588","0.3128","","","","","","1.028","","","","has coordinates,has disorder","226848","2020-10-21","18:00:00",""
"4035392","7.7838","0.0002","16.9514","0.0005","21.2298","0.0007","90","","90","","90","","2801.19","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C136 H144 O16 -","8","1","","Cruz, Daniel A.; Sinka, Victoria; Martín, Víctor S; Padrón, Juan I","Iron-Catalyzed Prins-Peterson Reaction for the Direct Synthesis of Δ<sup>4</sup>-2,7-Disubstituted Oxepenes.","The Journal of organic chemistry","2018","83","20","12632","12647","10.1021/acs.joc.8b01978","","","1.54184","CuKα","","0.0444","0.0391","","","0.1066","0.1131","","","","","","1.055","","","","has coordinates","226849","2020-10-21","18:00:00",""
"4035393","18.4509","0.0017","16.507","0.0017","8.064","0.0006","90","","92.762","0.008","90","","2453.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O Si2 -","- C26 H32 O Si2 -","- C104 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1096","0.0574","","","0.1121","0.132","","","","","","1.028","","","","has coordinates","226850","2020-10-21","18:00:00",""
"4035394","13.589","0.004","9.963","0.002","17.419","0.003","90","","102.55","0.02","90","","2302","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 O Si2 -","- C23 H32 O Si2 -","- C92 H128 O4 Si8 -","4","1","","Lv, Weiwei; Yu, Jia; Ge, Bailu; Wen, Si; Cheng, Guolin","Palladium-Catalyzed Catellani-Type Bis-silylation and Bis-germanylation of Aryl Iodides and Norbornenes.","The Journal of organic chemistry","2018","83","20","12683","12693","10.1021/acs.joc.8b02018","","","0.71073","MoKα","","0.1257","0.0655","","","0.1489","0.186","","","","","","1.023","","","","has coordinates","226851","2020-10-21","18:00:00",""
"4035395","9.8898","0.0017","11.4182","0.0019","15.179","0.002","99.218","0.009","98.769","0.01","107.339","0.01","1578.2","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","2","","Kołodziejczyk, Agata; Domański, Sylwester; Chaładaj, Wojciech","Tandem Palladium-Catalyzed 6- exo- dig Oxocyclization Coupling of δ-Acetylenic β-Ketoesters with Aryl Bromides and Chlorides: Route to Substituted Dihydropyrans.","The Journal of organic chemistry","2018","83","20","12887","12896","10.1021/acs.joc.8b01832","","","1.54178","CuKα","","0.1279","0.0736","","","0.1956","0.2365","","","","","","1.039","","","","has coordinates","226852","2020-10-21","18:00:00",""
"4035396","9.4739","0.0004","12.3578","0.0006","15.9762","0.0008","69.31","0.002","78.961","0.002","71.61","0.002","1653.69","0.14","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O5 -","- C42 H34 N2 O5 -","- C84 H68 N4 O10 -","2","1","","Naresh Babu, K.; Kariyandi, Nikhil Raj; Saheeda M K, Saina; Kinthada, Lakshmana K.; Bisai, Alakesh","Lewis Acid-Catalyzed Malonate Addition onto 3-Hydroxy-2-oxindoles: Mechanistic Consideration and Synthetic Approaches to the Pyrroloindoline Alkaloids.","The Journal of organic chemistry","2018","83","20","12664","12682","10.1021/acs.joc.8b02017","","","0.71073","MoKα","","0.2196","0.0972","","","0.2025","0.2408","","","","","","1.186","","","","has coordinates","226853","2020-10-21","18:00:00",""
"4035397","16.0538","0.0005","15.9623","0.0005","11.2628","0.0003","90","","93.733","0.002","90","","2880.03","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ND1-064-B2","beta-10d","","- C28 H43 N O6 Si -","- C28 H43 N O6 Si -","- C112 H172 N4 O24 Si4 -","4","1","","Doering, Nicolle A.; Kou, Kevin G. M.; Norseeda, Krissada; Lee, Jack C.; Marth, Christopher J.; Gallego, Gary M.; Sarpong, Richmond","A Copper-Mediated Conjugate Addition Approach to Analogues of Aconitine-Type Diterpenoid Alkaloids.","The Journal of organic chemistry","2018","83","20","12911","12920","10.1021/acs.joc.8b01967","","","1.54178","CuKα","","0.0546","0.0519","","","0.1338","0.1362","","","","","","1.078","","","","has coordinates","226854","2020-10-21","18:00:00",""
"4035398","8.7861","0.0003","19.9084","0.0006","21.7332","0.0007","90","","90","","90","","3801.5","0.2","293","0.2","293","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C192 H144 O32 -","8","1","","Liu, Yan-Qing; Li, Qing-Zhu; Zhu, Hong-Ping; Feng, Xin; Peng, Cheng; Huang, Wei; Li, Jun-Long; Han, Bo","Direct Sulfide-Catalyzed Diastereoselective [4+1] Annulations of ortho-Quinone Methides and Bromides.","The Journal of organic chemistry","2018","83","20","12753","12762","10.1021/acs.joc.8b02189","","x-ray","1.54184","CuKα","","0.07","0.0629","","","0.1586","0.1711","","","","","","1.032","","","","has coordinates","226855","2020-10-21","18:00:00",""
"4035399","13.3515","0.0019","13.8729","0.0014","14.852","0.003","81.985","0.01","88.534","0.011","63.761","0.006","2441.4","0.7","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H72 N8 O16 -","- C40 H72 N8 O16 -","- C80 H144 N16 O32 -","2","1","","Schettini, Rosaria; Costabile, Chiara; Della Sala, Giorgio; Iuliano, Veronica; Tedesco, Consiglia; Izzo, Irene; De Riccardis, Francesco","Cation-Induced Molecular Switching Based on Reversible Modulation of Peptoid Conformational States.","The Journal of organic chemistry","2018","83","20","12648","12663","10.1021/acs.joc.8b01990","","","1.54178","CuKα","","0.0561","0.0476","","","0.1282","0.1361","","","","","","1.028","","","","has coordinates","226856","2020-10-21","18:00:00",""
"4035400","5.9816","0.0001","13.6923","0.0003","21.4173","0.0005","90","","90","","90","","1754.12","0.06","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 N2 Zn -","- C16 H22 Cl2 N2 Zn -","- C64 H88 Cl8 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0562","0.0386","","","0.0702","0.0755","","","","","","1.001","","","","has coordinates","226858","2020-10-21","18:00:00",""
"4035401","6.933","0.0002","17.2571","0.0004","20.0543","0.0005","90","","90","","90","","2399.37","0.11","173","2","173","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C8 H18 Cl2 N2 Zn -","- C8 H18 Cl2 N2 Zn -","- C64 H144 Cl16 N16 Zn8 -","8","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1316","0.1087","","","0.2603","0.2686","","","","","","1.225","","","","has coordinates,has disorder","226859","2020-10-21","18:00:00",""
"4035402","8.3177","0.0003","8.3401","0.0004","9.539","0.0004","90.66","0.002","103.539","0.0018","100.646","0.002","631.22","0.05","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl2 N2 O2 Zn -","- C8 H18 Cl2 N2 O2 Zn -","- C16 H36 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0298","0.0265","","","0.0601","0.0633","","","","","","0.991","","","","has coordinates","226860","2020-10-21","18:00:00",""
"4035403","8.5348","0.0005","11.445","0.0006","13.2997","0.0008","90","0.003","89.932","0.003","90","0.002","1299.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Cl4 N2 Zn -","- C4 H16 Cl4 N2 Zn -","- C16 H64 Cl16 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.1022","0.0654","","","0.1478","0.1683","","","","","","1.047","","","","has coordinates","226861","2020-10-21","18:00:00",""
"4035404","8.8724","0.0003","15.4191","0.0005","11.6823","0.0003","90","","101.762","0.0016","90","","1564.64","0.08","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 Cl2 N2 O2 Zn -","- C34 H38 Cl2 N2 O2 Zn -","- C68 H76 Cl4 N4 O4 Zn2 -","2","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0777","0.0506","","","0.0844","0.0947","","","","","","1.062","","","","has coordinates,has disorder","226862","2020-10-21","18:00:00",""
"4035405","16.1532","0.0006","19.5027","0.0006","18.8925","0.0007","90","","104.25","0.004","90","","5768.6","0.4","150.11","0.1","150.11","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N O2 -","- C33 H45 N O2 -","- C264 H360 N8 O16 -","8","2","","Ciechańska, Magdalena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Alkylation of the K-Region in a Sterically Hindered Pyrene Carboxamide via Directed Reaction with Alkyllithiums under Air.","The Journal of organic chemistry","2018","83","20","12793","12797","10.1021/acs.joc.8b01024","","x-ray","0.71072","MoKα","","0.0781","0.0584","","","0.1249","0.1347","","","","","","1.046","","","","has coordinates","226863","2020-10-21","18:00:00",""
"4035406","5.7993","0.0004","16.3444","0.0011","21.7331","0.0014","90","","90","","90","","2060","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 S Si -","- C16 H31 N O3 S Si -","- C64 H124 N4 O12 S4 Si4 -","4","1","","Fernández-Sánchez, Luis; Fernández-Salas, José A; Maestro, M. Carmen; García Ruano, Jose L","Reformatsky Reaction to Alkynyl N- tert-Butanesulfinyl Imines: Lewis Acid Controlled Stereodivergent Synthesis of β-Alkynyl-β-Amino Acids.","The Journal of organic chemistry","2018","83","20","12903","12910","10.1021/acs.joc.8b01918","","","0.71073","MoKα","","0.0419","0.0355","","","0.0898","0.1155","","","","","","1.006","","","","has coordinates","226864","2020-10-21","18:00:00",""
"4035407","7.7036","0.0002","8.6989","0.0003","24.457","0.0009","90","","94.376","0.003","90","","1634.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O3 S -","- C19 H16 N2 O3 S -","- C76 H64 N8 O12 S4 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0458","0.0413","","","0.1113","0.1143","","","","","","1.096","","","","has coordinates","226865","2020-10-21","18:00:00",""
"4035408","12.6608","0.0006","10.8233","0.0005","27.9283","0.0011","90","","94.769","0.004","90","","3813.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O5 -","- C22 H20 N2 O5 -","- C176 H160 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0406","0.0355","","","0.0899","0.0928","","","","","","1.051","","","","has coordinates","226866","2020-10-21","18:00:00",""
"4035409","13.6553","0.0003","20.2125","0.0005","11.5578","0.0003","90","","90","","90","","3190.04","0.13","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.059","0.0567","","","0.1457","0.1507","","","","","","1.057","","","","has coordinates","226867","2020-10-21","18:00:00",""
"4035410","11.6882","0.0003","10.5838","0.0003","30.9945","0.0011","90","","90","","90","","3834.2","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C160 H192 N16 O40 -","8","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0485","0.0433","","","0.1052","0.1099","","","","","","1.045","","","","has coordinates","226868","2020-10-21","18:00:00",""
"4035411","18.6801","0.0003","8.6609","0.00013","10.87942","0.00017","90","","105.924","0.0017","90","","1692.6","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cl N2 O3 -","- C20 H15 Cl N2 O3 -","- C80 H60 Cl4 N8 O12 -","4","1","","Chizhova, Maria; Khoroshilova, Olesya; Dar'in, Dmitry; Krasavin, Mikhail","Unusually Reactive Cyclic Anhydride Expands the Scope of the Castagnoli-Cushman Reaction.","The Journal of organic chemistry","2018","83","20","12722","12733","10.1021/acs.joc.8b02164","","x-ray","1.54184","CuKα","","0.0394","0.0386","","","0.1045","0.1054","","","","","","1.052","","","","has coordinates","226869","2020-10-21","18:00:00",""
"4035412","25.059","0.0018","15.9883","0.0007","11.3279","0.0006","90","","99.959","0.006","90","","4470.1","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C192 H192 N32 O48 -","8","2","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.1162","0.0763","","","0.1742","0.201","","","","","","1.044","","","","has coordinates","226870","2020-10-21","18:00:00",""
"4035413","17.893","0.0005","9.79","0.0003","9.2333","0.0003","90","","101.193","0.003","90","","1586.65","0.09","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Peng, Hui; Luo, Wenkun; Jiang, Huanfeng; Yin, Biaolin","Tandem Achmatowicz Rearrangement and Acetalization of 1-[5-(Hydroxyalkyl)-furan-2-yl]-cyclobutanols Leading to Dispiroacetals and Subsequent Ring-Expansion to Form 6,7-Dihydrobenzofuran-4(5 H)-ones.","The Journal of organic chemistry","2018","83","20","12869","12879","10.1021/acs.joc.8b01765","","x-ray","1.54184","CuKα","","0.0325","0.0324","","","0.0853","0.0854","","","","","","1.064","","","","has coordinates","226871","2020-10-21","18:00:00",""
"4035414","16.331","0.00011","11.444378","0.000086","18.61358","0.00015","90","","70.5062","0.00058","90","","3279.43","0.04","358","","358","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H25 I3 N10 O2 -","- C32 H25 I3 N8 O2 -","- C128 H100 I12 N32 O8 -","4","1","","Kumar, Rajesh; Vaish, Avichal; Runčevski, Tomče; Tsarevsky, Nicolay V.","Hypervalent Iodine Compounds with Tetrazole Ligands.","The Journal of organic chemistry","2018","83","20","12496","12506","10.1021/acs.joc.8b01715","powder diffraction","x-ray","0.45236","synchrotron","","1.795","","","","","","","","2.386","","","","","","","has coordinates","226872","2020-10-21","18:00:00",""
"4035415","8.8238","0.0008","9.7981","0.001","10.3639","0.0009","95.656","0.008","90.175","0.007","92.454","0.008","890.82","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Sharma, Ritika; Kumar, Rakesh; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Rh(III)-Catalyzed C(8)-H Functionalization of Quinolines via Simultaneous C-C and C-O Bond Formation: Direct Synthesis of Quinoline Derivatives with Antiplasmodial Potential.","The Journal of organic chemistry","2018","83","20","12702","12710","10.1021/acs.joc.8b02042","","x-ray","1.54184","CuKα","","0.0777","0.0599","","","0.1747","0.1899","","","","","","1.059","","","","has coordinates","226873","2020-10-21","18:00:00",""
"4035416","15.6837","0.0004","15.8931","0.0004","16.911","0.0005","82.049","0.002","83.907","0.002","78.263","0.002","4074.22","0.19","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H60 N6 O6 Re2 -","- C45 H30 N3 O3 Re -","- C90 H60 N6 O6 Re2 -","2","1","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.0831","0.0551","","","0.1176","0.1359","","","","","","1.034","","","","has coordinates","226874","2020-10-21","18:00:00",""
"4035417","40.424","0.004","6.9876","0.0005","44.765","0.004","90","","110.991","0.01","90","","11805","2","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C40 H27 N3 -","- C40 H27 N3 -","- C640 H432 N48 -","16","2","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1803","0.0912","","","0.199","0.2471","","","","","","1.035","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035418","12.5676","0.0014","5.7449","0.0007","18.506","0.002","90","","90.262","0.011","90","","1336.1","0.3","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Panda, Kamakshya Nath; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis of meso-Tetraaryl Triphyrins(2.1.1).","The Journal of organic chemistry","2018","83","20","12945","12950","10.1021/acs.joc.8b02242","","x-ray","0.71073","MoKα","","0.1049","0.0641","","","0.1468","0.1833","","","","","","1.034","","","","has coordinates","226876","2020-10-21","18:00:00",""
"4035419","6.0513","0.0001","22.4128","0.0005","15.8276","0.0003","90","","98.739","0.002","90","","2121.72","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 S -","- C26 H19 N3 O2 S -","- C104 H76 N12 O8 S4 -","4","1","","Cao, Dongdong; Ying, Anguo; Mo, Hanjie; Chen, Dingben; Chen, Gang; Wang, Zhiming; Yang, Jianguo","[4 + 2] Annulation of 3-Nitroindoles with Alkylidene Malononitriles: Entry to Substituted Carbazol-4-amine Derivatives.","The Journal of organic chemistry","2018","83","20","12568","12574","10.1021/acs.joc.8b01876","","","1.54184","CuKα","","0.0477","0.043","","","0.1111","0.1157","","","","","","1.049","","","","has coordinates","226877","2020-10-21","18:00:00",""
"4035420","15.355","0.002","6.4821","0.001","13.0958","0.0019","90","","114.676","0.002","90","","1184.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C48 H40 Br4 N4 O12 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0815","0.0554","","","0.1719","0.2005","","","","","","0.876","","","","has coordinates","226878","2020-10-21","18:00:00",""
"4035421","9.0367","0.0009","12.3766","0.0012","18.4225","0.0017","90","","100.833","0.001","90","","2023.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Shen, Yue; Chai, Jun; Yang, Gaosheng; Chen, Wenlong; Chai, Zhuo","Stereocontrolled Synthesis of trans/ cis-2,3-Disubstituted Cyclopropane-1,1-diesters and Applications in the Syntheses of Furanolignans.","The Journal of organic chemistry","2018","83","20","12549","12558","10.1021/acs.joc.8b01798","","","0.71073","MoKα","","0.0768","0.0609","","","0.2166","0.2476","","","","","","1.009","","","","has coordinates","226879","2020-10-21","18:00:00",""
"4035422","11.3893","0.0003","14.6404","0.0004","20.3796","0.0005","90","","90","","90","","3398.17","0.15","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","","","0.0365","0.0312","","","0.0779","0.0819","","","","","","1.043","","","","has coordinates","226880","2020-10-21","18:00:00",""
"4035423","11.283","0.005","8.734","0.004","16.552","0.008","90","","92.249","0.008","90","","1629.9","1.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H32 O2 P2 -","- C40 H32 O2 P2 -","- C80 H64 O4 P4 -","2","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1075","0.0465","","","0.0879","0.1109","","","","","","0.812","","","","has coordinates","226881","2020-10-21","18:00:00",""
"4035424","10.2427","0.0017","27.713","0.005","12.453","0.002","90","","105.65","0.003","90","","3403.8","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","2","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","MoKα","","0.1239","0.0553","","","0.1222","0.1544","","","","","","0.967","","","","has coordinates","226882","2020-10-21","18:00:00",""
"4035425","30.7793","0.0011","25.5618","0.0006","18.8361","0.0007","90","","107.606","0.004","90","","14125.6","0.9","141","0.1","141","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C95 H132 N11 O9 Zn2 -","- C95 H132 N11 O9 Zn2 -","- C380 H528 N44 O36 Zn8 -","4","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","","1.54184","CuKα","","0.1395","0.1193","","","0.3236","0.3693","","","","","","1.089","","","","has coordinates","226883","2020-10-21","18:00:00",""
"4035426","8.3398","0.00013","10.15555","0.00018","10.95054","0.00019","90","","93.5771","0.0015","90","","925.65","0.03","294.6","0.5","294.6","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 F O3 -","- C22 H21 F O3 -","- C44 H42 F2 O6 -","2","1","","Xiong, Qian; Lin, Lili; Zhao, Xiaohu; Lang, Jiawen; Liu, Xiaohua; Feng, Xiaoming","Zinc(II)-Catalyzed Asymmetric Diels-Alder Reaction of ( E)-1-Phenyl Dienes with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2018","83","20","12527","12534","10.1021/acs.joc.8b01771","","x-ray","1.54184","CuKα","","0.0699","0.0685","","","0.1462","0.1502","","","","","","1.16","","","","has coordinates","226884","2020-10-21","18:00:00",""
"4035427","17.2491","0.001","20.1577","0.0012","21.143","0.0011","90","","90","","90","","7351.5","0.7","273","2","273.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C39 H30 Cl2 N4 O4 -","- C39 H30 Cl2 N4 O4 -","- C312 H240 Cl16 N32 O32 -","8","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.1558","0.099","","","0.2808","0.3263","","","","","","1.117","","","","has coordinates","226885","2020-10-21","18:00:00",""
"4035428","22.4758","0.0017","10.8896","0.0008","14.8092","0.0011","90","","93.616","0.002","90","","3617.4","0.5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 N4 O6 -","- C41 H38 N4 O6 -","- C164 H152 N16 O24 -","4","1","","Liang, Jin-Yan; Shen, Shou-Jie; Chai, Xiao-Qian; Lv, Ting","Lewis-Base-Catalyzed [1 + 2 + 2] Annulation Reaction of Morita-Baylis-Hillman Carbonates with Unsaturated Pyrazolones: Construction of All-Stereogenic Carbon Cyclopentane-Fused Dispiropyrazolones.","The Journal of organic chemistry","2018","83","20","12744","12752","10.1021/acs.joc.8b02188","","","0.71073","MoKα","","0.0726","0.0533","","","0.1542","0.171","","","","","","1.033","","","","has coordinates","226886","2020-10-21","18:00:00",""
"4035429","14.1406","0.0003","9.58175","0.00018","10.1251","0.0002","90","","109.792","0.003","90","","1290.83","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Zhu, Haiyong; Chen, Chao; Li, Dan; Wang, Pengxin; Wang, Yuan; Bai, Lutao; Yang, Dongxu; Wang, Linqing","Direct Synthesis of a Dioxabenzobicyclo[3.2.1]octane Core from Salicylaldehydes.","The Journal of organic chemistry","2018","83","20","12897","12902","10.1021/acs.joc.8b01873","","","1.54184","CuKα","","0.043","0.0391","","","0.1058","0.1096","","","","","","1.041","","","","has coordinates","226887","2020-10-21","18:00:00",""
"4035430","7.0525","0.0003","12.6404","0.0006","21.5366","0.0009","90","","90","","90","","1919.91","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0415","0.035","","","0.0808","0.0832","","","","","","1.051","","","","has coordinates","226888","2020-10-21","18:00:00",""
"4035431","15.0636","0.0003","15.0636","0.0003","15.9737","0.0004","90","","90","","120","","3139.02","0.12","93","2","93","2","","","","","","","","3","P 63","P 6c","173","","","","- C22 H36.67 O5.33 -","- C22 H36.6666 O5.33333 -","- C132 H220 O32 -","6","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0387","0.0363","","","0.0899","0.0917","","","","","","1.052","","","","has coordinates","226889","2020-10-21","18:00:00",""
"4035432","8.8592","0.0002","11.6523","0.0003","20.1519","0.0005","90","","94.419","0.001","90","","2074.1","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 I O3 Si -","- C19 H29 I O3 Si -","- C76 H116 I4 O12 Si4 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0366","0.0309","","","0.076","0.0796","","","","","","1.036","","","","has coordinates","226890","2020-10-21","18:00:00",""
"4035433","8.5538","0.0002","11.1673","0.0003","11.3188","0.0003","69.274","0.001","86.658","0.001","72.273","0.001","961.73","0.04","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.053","0.0437","","","0.1258","0.1361","","","","","","1.037","","","","has coordinates","226891","2020-10-21","18:00:00",""
"4035434","9.9858","0.0006","14.2162","0.0009","14.3837","0.0008","91.181","0.004","107.099","0.004","100.012","0.004","1916.3","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H56 O6 -","- C42 H56 O6 -","- C84 H112 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.2135","0.1562","","","0.2574","0.284","","","","","","1.238","","","","has coordinates,has disorder","226892","2020-10-21","18:00:00",""
"4035435","10.585","0.0005","15.1637","0.0007","15.7734","0.0007","73.285","0.003","85.172","0.003","89.787","0.003","2415.6","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O3 Si -","- C24 H36 O3 Si -","- C96 H144 O12 Si4 -","4","2","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.1225","0.0742","","","0.1603","0.1833","","","","","","1.066","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035436","19.3123","0.0006","11.7684","0.0004","10.9877","0.0004","90","","90","","90","","2497.23","0.15","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H40 O3 Si2 -","- C22 H40 O3 Si2 -","- C88 H160 O12 Si8 -","4","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0577","0.0439","","","0.0991","0.1068","","","","","","1.027","","","","has coordinates","226894","2020-10-21","18:00:00",""
"4035437","9.3158","0.0002","13.3076","0.0003","14.9944","0.0003","77.281","0.001","88.982","0.001","76.424","0.001","1761.46","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H58 O6 -","- C38 H58 O6 -","- C76 H116 O12 -","2","1","","Bellavance, Gabriel; Barriault, Louis","Modular Total Syntheses of Hyperforin, Papuaforins A, B, and C via Gold(I)-Catalyzed Carbocyclization.","The Journal of organic chemistry","2018","83","13","7215","7230","10.1021/acs.joc.8b00426","","","0.71073","MoKα","","0.0745","0.0554","","","0.1551","0.1707","","","","","","1.019","","","","has coordinates,has disorder","226895","2020-10-21","18:00:00",""
"4035438","5.0861","0.0007","25.238","0.004","7.1023","0.0013","90","","99.505","0.002","90","","899.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Br2 N2 O4 -","- C14 H26 Br2 N2 O4 -","- C28 H52 Br4 N4 O8 -","2","1","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.025","0.0226","","","0.0449","0.0454","","","","","","0.918","","","","has coordinates","226896","2020-10-21","18:00:00",""
"4035439","17.808","0.006","7.964","0.003","21.315","0.007","90","","112.289","0.003","90","","2797.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 N4 O7 S -","- C26 H36 N4 O7 S -","- C104 H144 N16 O28 S4 -","4","2","","Ding, Hui; Roberts, Andrew G.; Chiang, Rocky; Harran, Patrick G.","Cascading Auto-oxidative Biproline Guanylations Form Optically Active Dispacamide Dimers and Permit an Eight-Step Synthesis of (-)-Ageliferin.","The Journal of organic chemistry","2018","83","13","7231","7238","10.1021/acs.joc.8b00631","","","0.71073","MoKα","","0.1583","0.0613","","","0.0982","0.1247","","","","","","1.023","","","","has coordinates,has disorder","226897","2020-10-21","18:00:00",""
"4035440","7.3874","0.0003","8.0591","0.0004","10.8556","0.0005","96.711","0.002","104.962","0.002","105.019","0.002","591.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","methyl 2-diazo-3-(2-azido-3-methylphenyl)-3-oxopropanoate","","- C11 H9 N5 O3 -","- C11 H9 N5 O3 -","- C22 H18 N10 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0369","0.0328","","","0.089","0.0919","","","","","","1.056","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035441","11.917","0.0004","7.9729","0.0003","15.3812","0.0005","90","","92.5421","0.0004","90","","1459.98","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0413","0.0355","","","0.0921","0.0965","","","","","","1.042","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035442","12.1387","0.0002","8.0853","0.0002","15.9792","0.0003","90","","98.1986","0.0006","90","","1552.25","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl N2 O3 -","- C18 H13 Cl N2 O3 -","- C72 H52 Cl4 N8 O12 -","4","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","1.54178","CuKα","","0.0312","0.0303","","","0.0815","0.0822","","","","","","1.061","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035443","11.0321","0.0005","11.4646","0.0005","11.5824","0.0005","90","","95.6775","0.0006","90","","1457.74","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H36 N2 O3 -","- C34 H36 N2 O3 -","- C68 H72 N4 O6 -","2","1","","Atienza, Bren Jordan P.; Jensen, Lionel D.; Noton, Sarah L.; Ansalem, Anil Kumar Victoria; Hobman, Tom; Fearns, Rachel; Marchant, David J.; West, F. G.","Dual Catalytic Synthesis of Antiviral Compounds Based on Metallocarbene-Azide Cascade Chemistry.","The Journal of organic chemistry","2018","83","13","6829","6842","10.1021/acs.joc.8b00222","","","0.71073","MoKα","","0.0461","0.0385","","","0.0903","0.0952","","","","","","1.033","","","","has coordinates","226898","2020-10-21","18:00:00",""
"4035444","9.47108","0.00012","11.24253","0.00017","30.714","0.0004","90","","90","","90","","3270.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O6 Si2 -","- C30 H54 O6 Si2 -","- C120 H216 O24 Si8 -","4","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","1.5418","CuKα","","0.0338","0.0336","","","0.0884","0.0885","","","","","","1.086","","","","has coordinates","226899","2020-10-21","18:00:00",""
"4035445","8.538","0.0005","14.3233","0.0009","19.3139","0.0012","69.177","0.006","77.656","0.005","85.101","0.005","2156.5","0.2","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 O10 Si -","- C40 H56 O10 Si -","- C80 H112 O20 Si2 -","2","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.2379","0.0971","","","0.1751","0.2499","","","","","","1.003","","","","has coordinates","226900","2020-10-21","18:00:00",""
"4035446","13.8165","0.0011","16.1678","0.0012","17.3578","0.0017","80.09","0.007","81.32","0.007","77.271","0.007","3699.8","0.6","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","2","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","0.71073","MoKα","","0.179","0.0882","","","0.1817","0.2179","","","","","","0.834","","","","has coordinates","226901","2020-10-21","18:00:00",""
"4035447","12.36","0.003","11.2021","0.0016","15.01","0.003","90","","112.76","0.02","90","","1916.4","0.7","291.3","0.1","291.3","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","","Sun, Tian-Wen; Liu, Dong-Dong; Wang, Kuang-Yu; Tong, Bing-Qi; Xie, Jia-Xin; Jiang, Yan-Long; Li, Yong; Zhang, Bo; Liu, Yi-Fan; Wang, Yuan-Xian; Zhang, Jia-Jun; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 1. Diastereoselective Synthesis of CDEFGH Ring System.","The Journal of organic chemistry","2018","83","13","6893","6906","10.1021/acs.joc.7b02915","","","0.71073","MoKα","","0.1012","0.0554","","","0.1104","0.1272","","","","","","1.012","","","","has coordinates","226902","2020-10-21","18:00:00",""
"4035448","9.9065","0.0003","6.007","0.0002","11.3732","0.0003","90","","95.001","0.001","90","","674.22","0.04","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H18 N4 O4 -","- C11 H18 N4 O4 -","- C22 H36 N8 O8 -","2","1","","Zwick, 3rd, Christian R; Renata, Hans","Evolution of Biocatalytic and Chemocatalytic C-H Functionalization Strategy in the Synthesis of Manzacidin C.","The Journal of organic chemistry","2018","83","14","7407","7415","10.1021/acs.joc.8b00248","","x-ray","1.54178","CuKα","K-L~3~","0.0266","0.026","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","226903","2020-10-21","18:00:00",""
"4035449","5.797","0.003","8.787","0.004","24.255","0.011","90","","90.072","0.006","90","","1235.5","1","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Jin, Xiao-Yang; Xie, Li-Jun; Cheng, Hou-Ping; Liu, An-Di; Li, Xue-Dong; Wang, Dong; Cheng, Liang; Liu, Li","Ruthenium-Catalyzed Decarboxylative C-H Alkenylation in Aqueous Media: Synthesis of Tetrahydropyridoindoles.","The Journal of organic chemistry","2018","83","14","7514","7522","10.1021/acs.joc.8b00229","","","0.71073","MoKα","","0.0977","0.0836","","","0.1511","0.1611","","","","","","1.245","","","","has coordinates,has disorder","226904","2020-10-21","18:00:00",""
"4035450","31.242","0.002","11.0682","0.0006","20.7564","0.0012","90","","108.866","0.007","90","","6791.8","0.7","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cl12 N2 -","- C68 H72 Cl12 N2 -","- C272 H288 Cl48 N8 -","4","1","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.217","0.1318","","","0.3449","0.4114","","","","","","1.126","","","","has coordinates,has disorder","226905","2020-10-21","18:00:00",""
"4035451","9.476","0.002","32.295","0.008","17.436","0.005","90","","90","","90","","5336","2","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","","0.71073","MoKα","","0.1091","0.0374","","","0.0667","0.0836","","","","","","0.531","","","","has coordinates","226906","2020-10-21","18:00:00",""
"4035452","9.4747","0.0003","32.2996","0.0016","17.4267","0.0009","90","","90.412","0.004","90","","5332.9","0.4","293.7","0.1","293.7","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 Br N -","- C32 H36 Br N -","- C256 H288 Br8 N8 -","8","4","","Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Biconcave and Convex-Concave Tribenzotriquinacene Dimers.","The Journal of organic chemistry","2018","83","7","3433","3440","10.1021/acs.joc.8b00375","","x-ray","0.71073","MoKα","","0.1862","0.0765","","","0.0877","0.1229","","","","","","0.992","","","","has coordinates","226907","2020-10-21","18:00:00",""
"4035453","22.5648","0.0012","20.7782","0.0014","7.6518","0.0004","90","","90","","90","","3587.6","0.4","283.15","0.1","283.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","x-ray","0.71073","MoKα","","0.0606","0.0452","","","0.091","0.0984","","","","","","1.079","","","","has coordinates","226908","2020-10-21","18:00:00",""
"4035454","15.368","0.004","14.888","0.004","7.803","0.002","90","","102.365","0.003","90","","1743.9","0.8","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0341","0.0311","","","0.0817","0.0838","","","","","","1.079","","","","has coordinates","226909","2020-10-21","18:00:00",""
"4035455","12.5986","0.0009","5.4124","0.0003","18.4775","0.0011","90","","103.601","0.004","90","","1224.62","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O3 S -","- C14 H10 N2 O3 S -","- C56 H40 N8 O12 S4 -","4","1","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0345","0.0326","","","0.0876","0.0898","","","","","","1.069","","","","has coordinates","226910","2020-10-21","18:00:00",""
"4035456","10.1694","0.0006","10.3495","0.0006","16.9897","0.001","85.344","0.002","74.159","0.002","70.068","0.002","1617.04","0.17","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O2 S -","- C20 H14 N2 O2 S -","- C80 H56 N8 O8 S4 -","4","2","","Mishra, Aniket; Mukherjee, Upasana; Vats, Tripta Kumari; Deb, Indubhusan","Ir(III)/MPAA-Catalyzed Mild and Selective C-H Amidation of N-Sulfonyl Ketimines: Access To Benzosultam-Fused Quinazolines/Quinazolinones.","The Journal of organic chemistry","2018","83","7","3756","3767","10.1021/acs.joc.8b00125","","","0.71073","MoKα","","0.0719","0.0616","","","0.1972","0.2082","","","","","","1.076","","","","has coordinates","226911","2020-10-21","18:00:00",""
"4035457","7.9088","0.0004","12.3678","0.0006","29.3373","0.0015","90","","90","","90","","2869.6","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C128 H104 N8 O40 S8 -","8","2","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0353","0.0307","","","0.0693","0.0719","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035458","7.7133","0.0002","7.17114","0.00015","15.5989","0.0004","90","","103.88","0.003","90","","837.63","0.04","294","1","294","1","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","4-((1S,2S,3S,5S,6R)-1-formyl-2,3-dimethyl-4-oxobicyclo[3.1.0]hexan-6-yl) -2-methoxyphenyl acetate","","- C18 H20 O5 -","- C18 H20 O5 -","- C36 H40 O10 -","2","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0407","0.038","","","0.1056","0.1091","","","","","","1.078","","","","has coordinates","226913","2020-10-21","18:00:00",""
"4035459","5.63132","0.00006","12.43413","0.0001","19.06466","0.00016","90","","90","","90","","1334.92","0.02","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3S,5S,6R)-6-(4-bromophenyl)-2,3-dimethyl-4-oxobicyclo[3.1.0]hexane -1-carbaldehyde","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0179","0.0174","","","0.0451","0.0454","","","","","","1.094","","","","has coordinates","226914","2020-10-21","18:00:00",""
"4035460","15.2591","0.0003","6.82403","0.00012","37.8298","0.0007","90","","90","","90","","3939.16","0.13","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Si -","- C26 H22 Si -","- C208 H176 Si8 -","8","1","","Shibata, Takanori; Uno, Ninna; Sasaki, Tomoya; Takano, Hideaki; Sato, Tatsuki; Kanyiva, Kyalo Stephen","Ir-Catalyzed Synthesis of Substituted Tribenzosilepins by Dehydrogenative C-H/Si-H Coupling.","The Journal of organic chemistry","2018","83","7","3426","3432","10.1021/acs.joc.8b00233","","","1.54187","CuKα","","0.0395","0.0372","","","0.1017","0.1035","","","","","","1.04","","","","has coordinates","226915","2020-10-21","18:00:00",""
"4035461","9.985","0.006","19.848","0.009","10.7","0.006","90","","110.13","0.03","90","","1991","1.9","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Alvim, Haline G. O.; Correa, Jose R.; Assumpção, José A F; da Silva, Wender A.; Rodrigues, Marcelo O.; de Macedo, Julio L.; Fioramonte, Mariana; Gozzo, Fabio C.; Gatto, Claudia C.; Neto, Brenno A. D.","Heteropolyacid-Containing Ionic Liquid-Catalyzed Multicomponent Synthesis of Bridgehead Nitrogen Heterocycles: Mechanisms and Mitochondrial Staining.","The Journal of organic chemistry","2018","83","7","4044","4053","10.1021/acs.joc.8b00472","","","0.71073","MoKα","","0.3585","0.0765","","","0.1338","0.2188","","","","","","0.892","","","","has coordinates","226916","2020-10-21","18:00:00",""
"4035462","7.765","0.005","8.873","0.006","9.701","0.01","104.552","0.013","105.653","0.014","109.975","0.009","559.6","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C26 H30 O6 -","1","0.5","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0653","0.0498","","","0.157","0.1749","","","","","","0.991","","","","has coordinates","226917","2020-10-21","18:00:00",""
"4035463","12.456","0.003","7.819","0.0019","16.034","0.004","90","","97.129","0.004","90","","1549.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da","Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.","The Journal of organic chemistry","2018","83","7","4147","4152","10.1021/acs.joc.8b00073","","","0.71073","MoKα","","0.0684","0.0456","","","0.1407","0.1648","","","","","","1.083","","","","has coordinates","226918","2020-10-21","18:00:00",""
"4035464","18.7921","0.0002","27.7246","0.0004","7.6833","0.0001","90","","90","","90","","4003.03","0.09","100.01","0.1","100.01","0.1","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C34 H18 -","- C34 H18 -","- C272 H144 -","8","2","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.037","0.0337","","","0.0872","0.0896","","","","","","1.032","","","","has coordinates","226919","2020-10-21","18:00:00",""
"4035465","7.3866","0.0003","17.1147","0.0006","17.5278","0.0005","79.631","0.003","83.64","0.003","89.884","0.003","2165.89","0.13","99.99","0.13","99.99","0.13","","","","","","","","2","P 1","P 1","1","","","","- C35.75 H20 -","- C35.75 H20 -","- C143 H80 -","4","4","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0843","0.073","","","0.1884","0.1981","","","","","","1.045","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035466","26.3604","0.0004","9.2591","0.0002","8.1138","0.0001","90","","90","","90","","1980.36","0.06","100.01","0.16","100.01","0.16","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C34 H18 -","- C34 H18 -","- C136 H72 -","4","0.5","","Liu, Shi; Roch, Loïc M; Allemann, Oliver; Xu, Jun; Vanthuyne, Nicolas; Baldridge, Kim K.; Siegel, Jay S.","1,2,3- versus 1,2-Indeno Ring Fusions Influence Structure Property and Chirality of Corannulene Bowls.","The Journal of organic chemistry","2018","83","7","3979","3986","10.1021/acs.joc.8b00320","","x-ray","1.54184","CuKα","","0.0308","0.0292","","","0.0785","0.0798","","","","","","1.083","","","","has coordinates","226921","2020-10-21","18:00:00",""
"4035467","12.6402","0.0006","5.7117","0.0003","14.0248","0.0007","90","","94.438","0.005","90","","1009.51","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O2 S2 -","- C20 H26 N2 O2 S2 -","- C40 H52 N4 O4 S4 -","2","1","","Zhang, Lei; Sun, Beiqi; Liu, Qianyi; Mo, Fanyang","Addition of Diazo Compounds ipso-C-H Bond to Carbon Disulfide: Synthesis of 1,2,3-Thiadiazoles under Mild Conditions.","The Journal of organic chemistry","2018","83","7","4275","4278","10.1021/acs.joc.8b00383","","x-ray","0.71073","MoKα","","0.0362","0.0342","","","0.0894","0.0908","","","","","","1.04","","","","has coordinates","226922","2020-10-21","18:00:00",""
"4035468","52.9571","0.0012","8.5386","0.0002","11.2085","0.0003","90","","90.471","0.001","90","","5068.1","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0304","0.03","","","0.0789","0.0793","","","","","","1.045","","","","has coordinates","226923","2020-10-21","18:00:00",""
"4035469","52.9807","0.0017","8.7257","0.0003","11.2549","0.0004","90","","91.479","0.002","90","","5201.3","0.3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C60 H82 O6 -","- C60 H82 O6 -","- C240 H328 O24 -","4","1","","Mayorquín-Torres, Martha C; Colin-Molina, Abraham; Pérez-Estrada, Salvador; Galano, Annia; Rodríguez-Molina, Braulio; Iglesias-Arteaga, Martín A","Synthesis, Characterization, and Solid State Dynamic Studies of a Hydrogen Bond-Hindered Steroidal Molecular Rotor with a Flexible Axis.","The Journal of organic chemistry","2018","83","7","3768","3779","10.1021/acs.joc.8b00134","","","1.54178","CuKα","","0.0366","0.0358","","","0.1013","0.1028","","","","","","1.035","","","","has coordinates","226924","2020-10-21","18:00:00",""
"4035470","9.8978","0.0006","10.2382","0.0007","14.8927","0.001","70.864","0.001","81.893","0.001","62.465","0.001","1264.17","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H28 N2 O3 -","- C33 H27 N2 O3 -","- C66 H54 N4 O6 -","2","2","","Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Diastereoselective Construction of Indole-Bridged Chroman Spirooxindoles through a TfOH-Catalyzed Michael Addition-Inspired Cascade Reaction.","The Journal of organic chemistry","2018","83","7","3679","3687","10.1021/acs.joc.8b00035","","","0.71073","MoKα","","0.062","0.0549","","","0.1411","0.1474","","","","","","1.02","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4035471","9.3777","0.0009","10.5101","0.0012","13.0183","0.0013","90","","90","","90","","1283.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0489","0.0396","","","0.0998","0.1053","","","","","","1.051","","","","has coordinates","226926","2020-10-21","18:00:00",""
"4035472","6.2149","0.0017","5.5203","0.0015","19.393","0.005","90","","93.525","0.004","90","","664.1","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C28 H30 N6 O8 -","2","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0548","0.0417","","","0.0892","0.0951","","","","","","1.054","","","","has coordinates","226927","2020-10-21","18:00:00",""
"4035473","5.334","0.0014","28.191","0.008","13.242","0.004","90","","90.465","0.004","90","","1991.1","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C84 H90 N18 O18 -","6","3","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.128","0.0618","","","0.1201","0.1519","","","","","","0.992","","","","has coordinates","226928","2020-10-21","18:00:00",""
"4035474","14.599","0.009","8.435","0.005","21.018","0.013","90","","95.832","0.011","90","","2575","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B2 -","- C66 H74 B2 -","- C132 H148 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0685","0.0495","","","0.1203","0.131","","","","","","1.051","","","","has coordinates,has disorder","226929","2020-10-21","18:00:00",""
"4035475","13.962","0.003","8.105","0.0016","23.041","0.01","90","","99.88","0.02","90","","2568.7","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 B2 -","- C66 H68 B2 -","- C132 H136 B4 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0662","0.052","","","0.1184","0.1246","","","","","","1.113","","","","has coordinates,has disorder","226930","2020-10-21","18:00:00",""
"4035476","40.616","0.011","9.877","0.003","17.437","0.005","90","","94.598","0.01","90","","6973","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H49.5 B2 N0.5 O4 -","- C37 H49.5 B2 N0.5 O4 -","- C296 H396 B16 N4 O32 -","8","1","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.1444","0.0785","","","0.206","0.2475","","","","","","1.047","","","","has coordinates,has disorder","226931","2020-10-21","18:00:00",""
"4035477","10.873","0.009","11.235","0.008","13.671","0.012","90","","105.1","0.03","90","","1612","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 B2 O4 -","- C36 H48 B2 O4 -","- C72 H96 B4 O8 -","2","0.5","","Ji, Lei; Krummenacher, Ivo; Friedrich, Alexandra; Lorbach, Andreas; Haehnel, Martin; Edkins, Katharina; Braunschweig, Holger; Marder, Todd B.","Synthesis, Photophysical, and Electrochemical Properties of Pyrenes Substituted with Donors or Acceptors at the 4- or 4,9-Positions.","The Journal of organic chemistry","2018","83","7","3599","3606","10.1021/acs.joc.7b03227","","","0.71073","MoKα","","0.0546","0.0462","","","0.1172","0.1232","","","","","","1.061","","","","has coordinates","226932","2020-10-21","18:00:00",""
"4035478","7.8846","0.0003","11.677","0.0005","13.4919","0.0006","90","","99.108","0.004","90","","1226.52","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N4 O -","- C13 H11 Cl N4 O -","- C52 H44 Cl4 N16 O4 -","4","1","","Luo, Zheng; Jiang, Ziyang; Jiang, Wei; Lin, Dongen","C-H Amination of Purine Derivatives via Radical Oxidative Coupling.","The Journal of organic chemistry","2018","83","7","3710","3718","10.1021/acs.joc.8b00066","","x-ray","0.71073","MoKα","","0.0521","0.0402","","","0.0891","0.0967","","","","","","1.06","","","","has coordinates","226933","2020-10-21","18:00:00",""
"4035479","11.626","0.005","12.534","0.005","13.719","0.006","90","","95.573","0.007","90","","1989.7","1.5","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'2-O-tosyl-6-O-benzoyl-myo-inositol 1,3,5-orthoformate'","","- C21 H20 O9 S -","- C21 H20 O9 S -","- C84 H80 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0849","0.0554","","","0.1241","0.1364","","","","","","1.036","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035480","6.8984","0.0012","36.23","0.007","8.3985","0.0015","90","","96.013","0.003","90","","2087.5","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'2,6-Di-O-(4-iodobenzoyl)-myo-inositol 1,3,5-orthoformate'","","- C21 H16 I2 O8 -","- C21 H16 I2 O8 -","- C84 H64 I8 O32 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.0353","0.0294","","","0.0619","0.0642","","","","","","1.083","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035481","6.8474","0.0015","11.558","0.003","13.858","0.003","108.274","0.004","98.891","0.004","90.87","0.004","1026.6","0.4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","'2,6-di-O-(4-toluoyl) myo-inositol 1,3,5-orthoformate'","","- C23 H22 O8 -","- C23 H22 O8 -","- C46 H44 O16 -","2","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.1209","0.0775","","","0.1411","0.1571","","","","","","1.149","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035482","27.213","0.004","7.7759","0.0012","6.5598","0.001","90","","90","","90","","1388.1","0.4","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","","'2-O-(4-toluoyl)myo-inositol 1,3,5-orthoformate'","","- C15 H16 O7 -","- C15 H16 O7 -","- C60 H64 O28 -","4","1","","Krishnaswamy, Shobhana; Shashidhar, Mysore S.","Correlation of Intermolecular Acyl Transfer Reactivity with Noncovalent Lattice Interactions in Molecular Crystals: Toward Prediction of Reactivity of Organic Molecules in the Solid State.","The Journal of organic chemistry","2018","83","7","3952","3959","10.1021/acs.joc.8b00293","","","0.71073","MoKα","","0.031","0.0293","","","0.0794","0.0808","","","","","","1.043","","","","has coordinates","226934","2020-10-21","18:00:00",""
"4035483","12.183","0.002","5.5641","0.0011","14.891","0.003","90","","104.08","0.03","90","","979.1","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H17 Cl O6 -","- C24 H17 Cl O6 -","- C48 H34 Cl2 O12 -","2","1","","Cui, Liying; Lv, Dan; Wang, Youming; Fan, Zhijin; Li, Zhengming; Zhou, Zhenghong","Asymmetric Formal [4 + 2] Annulation of o-Quinone Methides with β-Keto Acylpyrazoles: A General Approach to Optically Active trans-3,4-Dihydrocoumarins.","The Journal of organic chemistry","2018","83","7","4221","4228","10.1021/acs.joc.8b00234","","","0.71073","MoKα","","0.0784","0.0547","","","0.1165","0.1747","","","","","","1.053","","","","has coordinates","226935","2020-10-21","18:00:00",""
"4035484","10.0828","0.0004","31.5519","0.0011","9.4547","0.0005","90","","110.038","0.0013","90","","2825.8","0.2","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 O -","- C38 H28 O -","- C152 H112 O4 -","4","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.1209","0.0756","","","0.2014","0.2341","","","","","","1.099","","","","has coordinates","226936","2020-10-21","18:00:00",""
"4035485","16.589","0.001","9.0335","0.0004","20.6981","0.001","90","","94.977","0.007","90","","3090.1","0.3","200","","200","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C82 H76 O3 -","- C82 H76 O3 -","- C164 H152 O6 -","2","0.5","","Shirai, Atsumi; Sano, Hiroto; Nakamura, Yuki; Takashika, Masataka; Otani, Hiroyuki; Hasegawa, Masashi; Kato, Shin-Ichiro; Iyoda, Masahiko","10-Mesityl-1,8-diphenylanthracene Dimer: Synthesis, Structure, and Properties.","The Journal of organic chemistry","2018","83","7","3857","3863","10.1021/acs.joc.8b00200","","","0.71075","MoKα","","0.0882","0.053","","","0.1323","0.1491","","","","","","1.024","","","","has coordinates,has disorder","226937","2020-10-21","18:00:00",""
"4035486","22.5468","0.0019","10.4722","0.0009","7.3277","0.0005","90","","107.751","0.005","90","","1647.8","0.2","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0277","0.0274","","","0.0697","0.0699","","","","","","1.048","","","","has coordinates,has disorder","226938","2020-10-21","18:00:00",""
"4035487","11.7563","0.0019","5.3917","0.0008","12.861","0.002","90","","104.529","0.008","90","","789.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0898","0.0505","","","0.1037","0.118","","","","","","1.016","","","","has coordinates","226939","2020-10-21","18:00:00",""
"4035488","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","226940","2020-10-21","18:00:00",""
"4035489","6.2274","0.00018","14.7184","0.0005","20.121","0.0006","90","","90","","90","","1844.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0434","0.0399","","","0.1095","0.1153","","","","","","0.885","","","","has coordinates","226941","2020-10-21","18:00:00",""
"4035490","5.97161","0.00005","24.9992","0.0002","25.2644","0.0002","90","","90","","90","","3771.61","0.05","100","1","100","1","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C168 H256 O32 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.0274","0.0266","","","0.091","0.0924","","","","","","0.873","","","","has coordinates","226942","2020-10-21","18:00:00",""
"4035491","8.722","0.0001","11.3175","0.0001","18.7629","0.0002","90","","90","","90","","1852.11","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.043","0.0427","","","0.112","0.1123","","","","","","1.02","","","","has coordinates,has disorder","226943","2020-10-21","18:00:00",""
"4035492","10.9916","0.0006","21.3314","0.0011","13.3154","0.0006","90","","99.544","0.002","90","","3078.8","0.3","296","","296","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F6 N2 O3 Ru S Sb -","- C27 H31 F6 N2 O3 Ru S Sb -","- C108 H124 F24 N8 O12 Ru4 S4 Sb4 -","4","1","","Tamizmani, Masilamani; Ramesh, Balu; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Redox-Free [3 + 2] Cycloaddition of N-Sulfonyl Aromatic Aldimines with Maleimides.","The Journal of organic chemistry","2018","83","7","3746","3755","10.1021/acs.joc.8b00102","","","0.71073","MoKα","","0.1412","0.0678","","","0.1796","0.2304","","","","","","1.048","","","","has coordinates,has disorder","226944","2020-10-21","18:00:00",""
"4035493","14.4975","0.0012","25.501","0.002","14.6934","0.0012","90","","109.674","0.002","90","","5115","0.7","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C80.9 H41.79 Al2 Cl1.79 F72 N2 O12 S2 -","- C80.892 H41.784 Al2 Cl1.784 F72 N2 O12 S2 -","- C161.784 H83.568 Al4 Cl3.568 F144 N4 O24 S4 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1213","0.0933","","","0.2688","0.2895","","","","","","1.191","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035494","11.3277","0.0005","16.5513","0.0007","26.5773","0.001","90","","90.3632","0.0013","90","","4982.8","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H44 Al2 F72 N2 O12 -","- C84.004 H44 Al2 F72.009 N2 O12.001 -","- C168.008 H88 Al4 F144.018 N4 O24.002 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.0761","0.0554","","","0.1374","0.1484","","","","","","1.077","","","","has coordinates,has disorder","226945","2020-10-21","18:00:00",""
"4035495","10.3012","0.0009","26.935","0.002","20.455","0.002","90","","101.508","0.003","90","","5561.4","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H68 Al2 F72 N2 O14 -","- C96 H68 Al2 F72 N2 O14 -","- C192 H136 Al4 F144 N4 O28 -","2","0.5","","Li, Shuyu; Yuan, Ningning; Fang, Yong; Chen, Chao; Wang, Lei; Feng, Rui; Zhao, Yue; Cui, Haiyan; Wang, Xinping","Studies on the Bridge Dependence of Bis(triarylamine) Diradical Dications: Long-Range π-Conjugation and π-π Coupling Systems.","The Journal of organic chemistry","2018","83","7","3651","3656","10.1021/acs.joc.8b00003","","","0.71073","MoKα","","0.1132","0.0771","","","0.1502","0.1652","","","","","","1.145","","","","has coordinates","226945","2020-10-21","18:00:00",""
"4035496","11.6873","0.0003","15.3134","0.0003","14.6013","0.0004","90","","110.631","0.003","90","","2445.64","0.11","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","- C106 H110 N2 O3 P2 -","1","0.5","","Sun, Weiye; Gu, Haorui; Lin, Xufeng","Synthesis and Application of Hexamethyl-1,1'-spirobiindane-Based Phosphine-Oxazoline Ligands in Ni-Catalyzed Asymmetric Arylation of Cyclic Aldimines.","The Journal of organic chemistry","2018","83","7","4034","4043","10.1021/acs.joc.8b00422","","","1.54184","CuKα","","0.0637","0.0585","","","0.1537","0.1623","","","","","","1.046","","","","has coordinates","226946","2020-10-21","18:00:00",""
"4035497","4.5911","0.0002","14.4019","0.0004","12.1555","0.0004","90","","90.25","0.003","90","","803.72","0.05","297.28","0.12","297.28","0.12","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 O2 -","- C21 H14 N2 O2 -","- C42 H28 N4 O4 -","2","1","","Guo, Shenghai; Wang, Fang; Tao, Li; Zhang, Xinying; Fan, Xuesen","Solvent-Dependent Copper-Catalyzed Indolyl C3-Oxygenation and N1-Cyclization Reactions: Selective Synthesis of 3 H-Indol-3-ones and Indolo[1,2- c]quinazolines.","The Journal of organic chemistry","2018","83","7","3889","3896","10.1021/acs.joc.8b00231","","","1.54184","CuKα","","0.0512","0.0446","","","0.1108","0.1167","","","","","","1.048","","","","has coordinates","226947","2020-10-21","18:00:00",""
"4035498","4.6227","0.0008","11.994","0.002","13.207","0.002","98.937","0.015","97.255","0.015","94.801","0.014","713.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CCDC 1540291_Compound 1_SB55_2_a","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.7153","synchrotron","","0.0734","0.0663","","","0.1682","0.1756","","","","","","1.036","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035499","6.488","0.01","38.42","0.06","6.892","0.01","90","","92.78","0.05","90","","1716","5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540293_Compound 3_SB20_2ndcrystal_0m","","","- C38 H54 N4 O11 -","- C38 H40 N4 O10 -","- C76 H80 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0772","0.0502","","","0.1331","0.1479","","","","","","1.026","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035500","13.222","0.008","8.278","0.006","18.419","0.01","90","","104.06","0.018","90","","1956","2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CCDC 1540294_Compound 5_SB22_fromTHF","","","- C42 H62 N4 O11 -","- C42 H48 N4 O10 -","- C84 H96 N8 O20 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0479","0.0405","","","0.1357","0.1473","","","","","","1.258","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035501","5.0825","0.0012","10.495","0.003","13.156","0.003","90","","100.552","0.009","90","","689.9","0.3","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CCDC 1540292_Compound 6_SB97d_2_0m","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","0.5","","Bulut, Safak; Queen, Wendy L.","Catalyst-Free Synthesis of Aryl Diamines via a Three-Step Reaction Process.","The Journal of organic chemistry","2018","83","7","3806","3818","10.1021/acs.joc.8b00151","","","0.71073","MoKα","","0.0935","0.0744","","","0.1963","0.2159","","","","","","1.101","","","","has coordinates","226949","2020-10-21","18:00:00",""
"4035502","8.4637","0.0018","10.759","0.002","12.736","0.002","81.726","0.006","82.755","0.006","79.692","0.006","1123.1","0.4","273","2","273","2","","","","","","","","4","P -1","-P 1","2","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","1,3-dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Panday, Anoop Kumar; Mishra, Richa; Jana, Asim; Parvin, Tasneem; Choudhury, Lokman H.","Synthesis of Pyrimidine Fused Quinolines by Ligand-Free Copper-Catalyzed Domino Reactions.","The Journal of organic chemistry","2018","83","7","3624","3632","10.1021/acs.joc.7b03272","","","0.71073","MoKα","","0.1265","0.0638","","","0.1428","0.1808","","","","","","1.02","","","","has coordinates","226950","2020-10-21","18:00:00",""
"4035503","16.2526","0.0004","16.9979","0.0005","14.2159","0.0005","90","","90","","90","","3927.3","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H21.25 N O5.25 -","- C22 H21.25 N O5.25 -","- C176 H170 N8 O42 -","8","1","","Annamalai, Pratheepkumar; Hsu, Kou-Chi; Raju, Selvam; Hsiao, Huan-Chang; Chou, Chih-Wei; Lin, Gu-Ying; Hsieh, Cheng-Ming; Chen, Pei-Ling; Liu, Yi-Hung; Chuang, Shih-Ching","Palladium(II)-Catalyzed Mono- and Bis-alkenylation of N-Acetyl-2-aminobiaryls through Regioselective C-H Bond Activation.","The Journal of organic chemistry","2018","83","7","3840","3856","10.1021/acs.joc.8b00194","","","1.54178","CuKα","","0.09","0.0539","","","0.1471","0.1808","","","","","","1","","","","has coordinates","226951","2020-10-21","18:00:00",""
"4035504","10.9048","0.0001","11.1714","0.0001","17.3132","0.0001","90","","95.541","0.001","90","","2099.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-cyano-1-methyl-3-(4-methoxyphenyl)-2-(2-phenylsulfonylethyl)piperidine","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0494","0.0444","","","0.1302","0.1368","","","","","","1.064","","","","has coordinates","226952","2020-10-21","18:00:00",""
"4035505","7.1292","0.0001","9.773","0.0001","21.1929","0.0002","90","","95.177","0.001","90","","1470.56","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-cyano-2-(2-cyanoethyl)1-methyl-3-phenylpiperidine","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0483","0.0433","","","0.1249","0.1309","","","","","","1.063","","","","has coordinates","226953","2020-10-21","18:00:00",""
"4035506","7.8725","0.0002","10.546","0.0003","12.3593","0.0002","95.609","0.002","97.192","0.002","108.834","0.002","953.04","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(2-tert-butoxycarbonylethyl)-2-cyano-1-methyl-3-phenylpiperidine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C40 H56 N4 O4 -","2","1","","Kowalkowska, Anna; Jończyk, Andrzej; Maurin, Jan K.","Domino Reaction of Pyrrolidinium Ylides: Michael Addition/[1,2]-Stevens Rearrangement.","The Journal of organic chemistry","2018","83","7","4105","4110","10.1021/acs.joc.7b03278","","x-ray","1.54184","CuKα","","0.0759","0.0713","","","0.2206","0.2277","","","","","","1.081","","","","has coordinates,has disorder","226954","2020-10-21","18:00:00",""
"4035507","6.2916","0.0007","11.2924","0.0017","29.789","0.006","90","","90","","90","","2116.4","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O2 S -","- C25 H30 O2 S -","- C100 H120 O8 S4 -","4","1","","Berthonneau, Clément; Nun, Pierrick; Rivière, Matthieu; Pauvert, Mickael; Dénès, Fabrice; Lebreton, Jacques","Hemisynthesis of 2,3,4-<sup>13</sup>C3-1,4-Androstadien-3,17-dione: A Key Precursor for the Synthesis of <sup>13</sup>C3-Androstanes and <sup>13</sup>C3-Estranes.","The Journal of organic chemistry","2018","83","7","3727","3737","10.1021/acs.joc.7b03216","","x-ray","0.71069","MoKα","","0.1118","0.0531","","","0.054","0.0576","","","","1.42","1.42","1.21","","","","has coordinates","226955","2020-10-21","18:00:00",""
"4035508","15.832","0.004","17.439","0.005","19.676","0.006","90","","90","","90","","5432","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Barak, Dinesh S.; Dighe, Shashikant U.; Avasthi, Ilesha; Batra, Sanjay","Iodine-Catalyzed Diazenylation with Arylhydrazine Hydrochlorides in Air.","The Journal of organic chemistry","2018","83","7","3537","3546","10.1021/acs.joc.7b03149","","","0.71073","MoKα","","0.0509","0.041","","","0.103","0.1096","","","","","","1.023","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035509","9.713","0.0002","25.253","0.0006","9.834","0.0003","90","","104.922","0.0009","90","","2330.76","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 N4 O2 S -","- C21 H34 N4 O2 S -","- C84 H136 N16 O8 S4 -","4","1","","Sakaine, Guna; Smits, Gints","Modified Julia-Kocienski Reagents for a Stereoselective Introduction of Trisubstituted Double Bonds: A Formal Total Synthesis of Limazepine E and Barmumycin.","The Journal of organic chemistry","2018","83","9","5323","5330","10.1021/acs.joc.8b00643","","","0.71073","MoKα","","0.1345","0.0732","","","0.1712","0.2033","","","","","","1.002","","","","has coordinates","226957","2020-10-21","18:00:00",""
"4035510","8.5915","0.0002","7.48777","0.00015","12.7605","0.0004","90","","108.58","0.003","90","","778.11","0.04","100","0.3","100","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Arachchige, Pandula T Kirinde; Lee, Hanbin; Yi, Chae S.","Synthesis of Symmetric and Unsymmetric Secondary Amines from the Ligand-Promoted Ruthenium-Catalyzed Deaminative Coupling Reaction of Primary Amines.","The Journal of organic chemistry","2018","83","9","4932","4947","10.1021/acs.joc.8b00649","","x-ray","1.54184","CuKα","","0.0321","0.0294","","","0.0711","0.0732","","","","","","1.064","","","","has coordinates","226958","2020-10-21","18:00:00",""
"4035511","7.2837","0.0003","8.587","0.0003","24.8197","0.0009","90","","90.172","0.001","90","","1552.34","0.1","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ANB","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0464","0.0389","","","0.0957","0.1012","","","","","","1.055","","","","has coordinates","226959","2020-10-21","18:00:00",""
"4035512","7.3288","0.0004","16.8413","0.0008","8.2232","0.0005","90","","101.669","0.002","90","","993.98","0.09","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ANB-461","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Baumann, Andreas N.; Schüppel, Franziska; Eisold, Michael; Kreppel, Andrea; de Vivie-Riedle, Regina; Didier, Dorian","Oxidative Ring Contraction of Cyclobutenes: General Approach to Cyclopropylketones including Mechanistic Insights.","The Journal of organic chemistry","2018","83","9","4905","4921","10.1021/acs.joc.8b00297","","","0.71073","MoKα","","0.0418","0.0363","","","0.0886","0.092","","","","","","1.082","","","","has coordinates","226960","2020-10-21","18:00:00",""
"4035513","8.3683","0.0005","16.217","0.001","15.0187","0.001","90","","101.183","0.003","90","","1999.5","0.2","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Mao, Yu-Jia; Mei, Guang-Jian; Wang, Shu-Liang; Shi, Feng","Cooperative Catalysis-Enabled Asymmetric α-Arylation of Aldehydes Using 2-Indolylmethanols as Arylation Reagents.","The Journal of organic chemistry","2018","83","9","5027","5034","10.1021/acs.joc.8b00228","","","1.54178","CuKα","","0.0945","0.0724","","","0.1878","0.2158","","","","","","1.017","","","","has coordinates","226961","2020-10-21","18:00:00",""
"4035514","13.2178","0.0005","12.0114","0.0005","14.7654","0.0006","90","","107.36","0.001","90","","2237.44","0.16","96","2","96","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 B F2 N2 Se2 -","- C26 H21 B F2 N2 Se2 -","- C104 H84 B4 F8 N8 Se8 -","4","1","","Taguchi, Daisuke; Nakamura, Takashi; Horiuchi, Hiroaki; Saikawa, Makoto; Nabeshima, Tatsuya","Synthesis and Unique Optical Properties of Selenophenyl BODIPYs and Their Linear Oligomers.","The Journal of organic chemistry","2018","83","9","5331","5337","10.1021/acs.joc.8b00782","","","0.71073","MoKα","","0.0515","0.0398","","","0.1361","0.1492","","","","","","1.206","","","","has coordinates,has disorder","226962","2020-10-21","18:00:00",""
"4035515","10.53852","0.00015","11.82433","0.00016","14.4092","0.0002","90","","90","","90","","1795.54","0.04","291","2","291.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Weng, Yunxiang; Kuai, Changsheng; Lv, Weiwei; Cheng, Guolin","Synthesis of 2-Aminopyridines via a Base-Promoted Cascade Reaction of N-Propargylic β-Enaminones with Formamides.","The Journal of organic chemistry","2018","83","9","5002","5008","10.1021/acs.joc.8b00128","","","1.54184","CuKα","","0.0351","0.0331","","","0.0841","0.0857","","","","","","1.071","","","","has coordinates","226963","2020-10-21","18:00:00",""
"4035516","6.9058","0.0007","18.5704","0.0012","31.694","0.004","90","","90","","90","","4064.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-3-(4-Chlorophenyl)-5-oxo-2-phenyl-3,5-dihydro-2H-cyclopenta[a]naphthalene-1-carbaldehyde","","- C26 H17 Cl O2 -","- C26 H17 Cl O2 -","- C208 H136 Cl8 O16 -","8","2","","Skrzyńska, Anna; Romaniszyn, Marta; Pomikło, Dominika; Albrecht, Łukasz","The Application of 2-Benzyl-1,4-naphthoquinones as Pronucleophiles in Aminocatalytic Synthesis of Tricyclic Derivatives.","The Journal of organic chemistry","2018","83","9","5019","5026","10.1021/acs.joc.8b00170","","x-ray","1.54184","CuKα","","0.1321","0.0639","","","0.1344","0.1682","","","","","","0.983","","","","has coordinates,has disorder","226964","2020-10-21","18:00:00",""
"4035517","7.9924","0.0004","10.8848","0.0005","12.0467","0.0005","90","","90","","90","","1048.01","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6S,9aS)-6-Hydroxymethyl-8-methyl-1,2,3,6,9,9a-hexahydroquinolizin-4(4H)-one","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","","Alujas-Burgos, Sílvia; Oliveras-González, Cristina; Álvarez-Larena, Ángel; Bayón, Pau; Figueredo, Marta","Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of (-)-9a epi-Hippocasine.","The Journal of organic chemistry","2018","83","9","5052","5057","10.1021/acs.joc.8b00390","","","0.71073","MoKα","","0.0398","0.0388","","","0.1013","0.1024","","","","","","1.064","","","","has coordinates","226965","2020-10-21","18:00:00",""
"4035518","4.459","0.0017","17.667","0.007","24.108","0.009","90","","93.963","0.006","90","","1894.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F2 N3 O4 -","- C21 H17 F2 N3 O4 -","- C84 H68 F8 N12 O16 -","4","1","","Zhang, Cong-Hai; Huang, Rong; Hu, Xing-Mei; Lin, Jun; Yan, Sheng-Jiao","Three-Component Site-Selective Synthesis of Highly Substituted 5 H-Chromeno-[4,3- b]pyridines.","The Journal of organic chemistry","2018","83","9","4981","4989","10.1021/acs.joc.8b00099","","","0.71073","MoKα","","0.1506","0.0534","","","0.1088","0.1499","","","","","","0.935","","","","has coordinates","226966","2020-10-21","18:00:00",""
"4035519","9.1723","0.0007","9.2651","0.0007","13.5282","0.001","90","","90.6996","0.0009","90","","1149.57","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0388","0.036","","","0.0942","0.097","","","","","","1.033","","","","has coordinates","226967","2020-10-21","18:00:00",""
"4035520","14.2891","0.0018","18.831","0.002","7.4133","0.001","90","","98.248","0.002","90","","1974.1","0.4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0604","0.0457","","","0.0687","0.0708","","","","","","1.724","","","","has coordinates,has disorder","226968","2020-10-21","18:00:00",""
"4035521","12.3518","0.0005","10.0455","0.0004","13.0967","0.0005","90","","115.559","0.0004","90","","1466.01","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 Br N4 O -","- C16 H11 Br N4 O -","- C64 H44 Br4 N16 O4 -","4","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0205","0.019","","","0.0475","0.0481","","","","","","1.002","","","","has coordinates","226969","2020-10-21","18:00:00",""
"4035522","8.4077","0.0005","16.3992","0.0009","12.0895","0.0006","90","","108.711","0.0006","90","","1578.79","0.15","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H13 N5 O3 -","- C17 H13 N5 O3 -","- C68 H52 N20 O12 -","4","2","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0328","0.0315","","","0.0752","0.0761","","","","","","1.006","","","","has coordinates","226970","2020-10-21","18:00:00",""
"4035523","7.1531","0.0005","9.1337","0.0006","11.3187","0.0008","70.2601","0.0007","80.8817","0.0008","87.0438","0.0008","687.25","0.08","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","1","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0456","0.04","","","0.1075","0.1127","","","","","","1.045","","","","has coordinates","226971","2020-10-21","18:00:00",""
"4035524","37.707","0.004","6.6383","0.0007","24.854","0.003","90","","90","","90","","6221.2","1.2","103","2","103","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C304 H320 N64 -","16","4","","Liu, Peiye; Clark, Ronald J.; Zhu, Lei","Synthesis of 1-Cyanoalkynes and Their Ruthenium(II)-Catalyzed Cycloaddition with Organic Azides to Afford 4-Cyano-1,2,3-triazoles.","The Journal of organic chemistry","2018","83","9","5092","5103","10.1021/acs.joc.8b00424","","","0.71073","MoKα","","0.0767","0.0536","","","0.1186","0.1315","","","","","","1.023","","","","has coordinates","226972","2020-10-21","18:00:00",""
"4035525","10.7535","0.0005","6.972","0.0003","12.657","0.0006","90","","110.71","0.002","90","","887.62","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-((1R,2S,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl)-N-methoxy-N-methylacetamide","","- C18 H33 N O3 -","- C18 H33 N O3 -","- C36 H66 N2 O6 -","2","1","","Novaes, Luiz F. T.; Gonçalves, Kaliandra de Almeida; Trivella, Daniela B. B.; Pastre, Julio C.","Formal Total Synthesis of Actinoranone: Synthesis Approaches and Cytotoxic Studies.","The Journal of organic chemistry","2018","83","9","5160","5176","10.1021/acs.joc.8b00514","","","1.54184","CuKα","","0.0349","0.0341","","","0.1014","0.1034","","","","","","0.9079","","","","has coordinates","226973","2020-10-21","18:00:00",""
"4035526","23.4985","0.0005","7.79477","0.00015","16.7618","0.0003","90","","123.364","0.009","90","","2564.2","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C104 H88 N8 O32 S8 -","8","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0377","0.0341","","","0.0871","0.0891","","","","","","1.074","","","","has coordinates","226974","2020-10-21","18:00:00",""
"4035527","8.07707","0.00017","15.3472","0.0003","13.2213","0.0003","90","","93.8705","0.0007","90","","1635.18","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N S -","- C21 H15 N S -","- C84 H60 N4 S4 -","4","1","","Higashimae, Shinya; Kurata, Daichi; Kawaguchi, Shin-Ichi; Kodama, Shintaro; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","Palladium-Catalyzed Cyanothiolation of Internal Alkynes Using Organic Disulfides and tert-Butyl Isocyanide.","The Journal of organic chemistry","2018","83","9","5267","5273","10.1021/acs.joc.8b00052","","","0.71075","MoKα","","0.0331","0.0314","","","0.082","0.0833","","","","","","1.073","","","","has coordinates","226975","2020-10-21","18:00:00",""
"4035528","11.3662","0.0004","12.1409","0.0003","12.5714","0.0004","90","","113.555","0.004","90","","1590.25","0.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Feng, Tian; Tian, Miaomiao; Zhang, Xinying; Fan, Xuesen","Tunable Synthesis of Functionalized Cyclohexa-1,3-dienes and 2-Aminobenzophenones/Benzoate from the Cascade Reactions of Allenic Ketones/Allenoate with Amines and Enones.","The Journal of organic chemistry","2018","83","9","5313","5322","10.1021/acs.joc.8b00473","","x-ray","1.54184","CuKα","","0.0525","0.0498","","","0.1329","0.1361","","","","","","1.039","","","","has coordinates","226976","2020-10-21","18:00:00",""
"4035529","14.4278","0.0006","8.5062","0.0004","15.9293","0.0007","90","","95.522","0.001","90","","1945.86","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0501","0.0428","","","0.1187","0.1241","","","","","","1.052","","","","has coordinates","226977","2020-10-21","18:00:00",""
"4035530","6.4707","0.0015","8.0625","0.0018","20.651","0.005","94.171","0.007","97.073","0.007","98.941","0.007","1051.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C54 H40 N4 O6 -","2","1","","Cui, Zhihao; Du, Da-Ming","FeCl<sub>2</sub>-Catalyzed Decarboxylative Radical Alkylation/Cyclization of Cinnamamides: Access to Dihydroquinolinone and Pyrrolo[1,2- a]indole Analogues.","The Journal of organic chemistry","2018","83","9","5149","5159","10.1021/acs.joc.8b00511","","","0.71073","MoKα","","0.0519","0.0385","","","0.1001","0.107","","","","","","1.034","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035531","5.66017","0.00017","14.8733","0.0005","15.3378","0.0005","90","","90","","90","","1291.22","0.07","135","","135","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Jia, Lei; Tang, Qiang; Luo, Meiming; Zeng, Xiaoming","Direct ortho-Selective Amination of 2-Naphthol and Its Analogues with Hydrazines.","The Journal of organic chemistry","2018","83","9","5082","5091","10.1021/acs.joc.8b00421","","","0.7107","MoKα","","0.0449","0.0369","","","0.0804","0.0857","","","","","","1.035","","","","has coordinates","226979","2020-10-21","18:00:00",""
"4035532","10.854","0.0005","5.5969","0.0003","15.0011","0.0009","90","","107.715","0.006","90","","868.09","0.09","293","2","293","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","Unknown","","- C18 H16 Br N O5 -","- C18 H16 Br N O5 -","- C36 H32 Br2 N2 O10 -","2","1","","Mondal, Keshab; Pan, Subhas Chandra","Organocatalytic Asymmetric Domino Michael/Acyl Transfer Reaction between γ/δ-Hydroxyenones and α-Nitroketones.","The Journal of organic chemistry","2018","83","9","5301","5312","10.1021/acs.joc.8b00436","","x-ray","0.71073","MoKα","","0.0592","0.0411","","","0.0834","0.0946","","","","","","1.034","","","","has coordinates","226980","2020-10-21","18:00:00",""
"4035533","13.0387","0.001","11.8758","0.0008","21.3053","0.0016","90","","93.76","0.006","90","","3291.9","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C168 H152 N8 -","4","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1495","0.0583","","","0.1337","0.1676","","","","","","0.892","","","","has coordinates","226981","2020-10-21","18:00:00",""
"4035534","21.3199","0.001","17.6128","0.0008","17.2985","0.0008","90","","95.5","0.003","90","","6465.7","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C336 H304 N16 -","8","2","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.1414","0.0666","","","0.156","0.1857","","","","","","0.971","","","","has coordinates","226982","2020-10-21","18:00:00",""
"4035535","10.5709","0.0005","12.2106","0.0006","13.44","0.0006","107.16","0.002","103.112","0.002","90.668","0.003","1608.59","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H40 N2 -","- C42 H40 N2 -","- C84 H80 N4 -","2","1","","Cui, Longchen; Zhu, Guodong; Liu, Siyuan; Zhao, Xiangyu; Qu, Jingping; Wang, Baomin","Stereoselective Sequential [4+2]/[2+2] Cycloadditions Involving 2-Alkenylindolenines: An Approach to Densely Functionalized Benzo[ b]indolizidines.","The Journal of organic chemistry","2018","83","9","5044","5051","10.1021/acs.joc.8b00346","","","0.71073","MoKα","","0.0658","0.0458","","","0.1225","0.1336","","","","","","1.102","","","","has coordinates","226983","2020-10-21","18:00:00",""
"4035536","15.0047","0.0002","12.1799","0.0002","21.4763","0.0003","90","","95.513","0.001","90","","3906.76","0.1","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","ON-892a","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0497","0.048","","","0.1358","0.1389","","","","","","1.043","","","","has coordinates","226984","2020-10-21","18:00:00",""
"4035537","25.919","0.001","5.9148","0.0002","26.2477","0.0009","90","","107.283","0.004","90","","3842.2","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N -","- C30 H19 N -","- C240 H152 N8 -","8","1","","Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei","Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.","The Journal of organic chemistry","2018","83","15","7994","8002","10.1021/acs.joc.8b00870","","x-ray","1.54184","CuKα","","0.0542","0.051","","","0.1475","0.1507","","","","","","1.102","","","","has coordinates","226985","2020-10-21","18:00:00",""
"4035538","11.9891","0.0002","18.6415","0.0003","8.07137","0.00018","90","","100.274","0.002","90","","1774.99","0.06","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Wang, Lun; Liu, Lingyan; Chang, Weixing; Li, Jing","The Divergent Cascade Reactions of Arylalkynols with Homopropargylic Amines or Electron-Deficient Olefins: Access to the Spiro-Isobenzofuran- b-pyrroloquinolines or Bridged-Isobenzofuran Polycycles.","The Journal of organic chemistry","2018","83","15","7799","7813","10.1021/acs.joc.8b00691","","x-ray","0.71073","MoKα","","0.042","0.0377","","","0.1017","0.1049","","","","","","1.037","","","","has coordinates","226986","2020-10-21","18:00:00",""
"4035539","12.8526","0.0007","8.4407","0.0005","15.2915","0.0009","90","","114.037","0.003","90","","1515.04","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0496","0.0369","","","0.0968","0.1106","","","","","","1.027","","","","has coordinates","226987","2020-10-21","18:00:00",""
"4035540","8.5108","0.0008","10.6364","0.001","15.0701","0.0014","72.087","0.003","79.361","0.003","70.237","0.003","1216.7","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","2","","Manna, Manash Kumar; Bairy, Gurupada; Jana, Ranjan","Sterically Controlled Ru(II)-Catalyzed Divergent Synthesis of 2-Methylindoles and Indolines through a C-H Allylation/Cyclization Cascade.","The Journal of organic chemistry","2018","83","15","8390","8400","10.1021/acs.joc.8b01034","","","0.71073","MoKα","","0.0441","0.0372","","","0.0925","0.0993","","","","","","1.033","","","","has coordinates","226988","2020-10-21","18:00:00",""
"4035541","9.299","0.003","26.511","0.008","17.725","0.005","90","","96.699","0.004","90","","4340","2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H66 B2 O2 -","- C47 H66 B2 O2 -","- C188 H264 B8 O8 -","4","1","","Ito, Masato; Ito, Emi; Hirai, Masato; Yamaguchi, Shigehiro","Donor-π-Acceptor Type Unsymmetrical Triarylborane-Based Fluorophores: Synthesis, Fluorescence Properties, and Photostability.","The Journal of organic chemistry","2018","83","15","8449","8456","10.1021/acs.joc.8b01015","","","0.71075","MoKα","","0.1332","0.0709","","","0.1271","0.1573","","","","","","1.062","","","","has coordinates,has disorder","226989","2020-10-21","18:00:00",""
"4035542","21.9246","0.0007","15.7608","0.0005","6.6049","0.0002","90","","90","","90","","2282.32","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0556","0.053","","","0.1627","0.1646","","","","","","1.033","","","","has coordinates","226990","2020-10-21","18:00:00",""
"4035543","7.01728","0.00018","8.2752","0.0002","10.7566","0.0003","93.959","0.002","106.285","0.002","95.686","0.002","593.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","1","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.071","0.0711","","","","","","1.038","","","","has coordinates","226991","2020-10-21","18:00:00",""
"4035544","11.0275","0.0001","11.0275","0.0001","38.1512","0.0005","90","","90","","90","","4639.41","0.09","100","0.1","100","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C208 H232 N24 O24 -","8","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0435","0.042","","","0.1071","0.1083","","","","","","1.054","","","","has coordinates","226992","2020-10-21","18:00:00",""
"4035545","8.149","0.0001","9.8593","0.0001","28.656","0.0002","90","","90","","90","","2302.32","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O4 -","- C26 H28 N3 O4 -","- C104 H112 N12 O16 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0756","0.0738","","","0.1731","0.1749","","","","","","1.034","","","","has coordinates,has disorder","226993","2020-10-21","18:00:00",""
"4035546","13.163","0.005","10.966","0.004","11.325","0.004","90","","94.79","0.008","90","","1629","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C64 H56 N8 O32 -","8","1","","Fang, Kun; Li, Guijie; She, Yuanbin","Metal-Free Aerobic Oxidation of Nitro-Substituted Alkylarenes to Carboxylic Acids or Benzyl Alcohols Promoted by NaOH.","The Journal of organic chemistry","2018","83","15","8092","8103","10.1021/acs.joc.8b00903","","","0.71073","MoKα","","0.0594","0.05","","","0.131","0.1372","","","","","","1.056","","","","has coordinates","226994","2020-10-21","18:00:00",""
"4035547","17.9614","0.001","8.0269","0.0005","19.3808","0.001","90","","90","","90","","2794.2","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C136 H88 F24 O16 -","8","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0891","0.0637","","","0.1626","0.1783","","","","","","1.038","","","","has coordinates","226995","2020-10-21","18:00:00",""
"4035548","7.2348","0.0003","35.4035","0.0014","12.1571","0.0005","90","","90.375","0.004","90","","3113.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 F6 O2 -","- C17 H8 F6 O2 -","- C136 H64 F48 O16 -","8","2","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","","0.71073","MoKα","","0.1002","0.0834","","","0.2579","0.2725","","","","","","1.021","","","","has coordinates","226996","2020-10-21","18:00:00",""
"4035549","12.4148","0.0005","7.9614","0.0004","14.3307","0.0006","90","","93.308","0.004","90","","1414.07","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F3 O2 -","- C17 H11 F3 O2 -","- C68 H44 F12 O8 -","4","1","","Chen, Long; Wu, Lianlian; Duan, Weijie; Wang, Tao; Li, Letian; Zhang, Keke; Zhu, Jingmei; Peng, Zhi; Xiong, Fei","Photoredox-Catalyzed Cascade Radical Cyclization of Ester Arylpropiolates with CF<sub>3</sub>SO<sub>2</sub>Cl To Construct 3-Trifluoromethyl Coumarin Derivatives.","The Journal of organic chemistry","2018","83","15","8607","8614","10.1021/acs.joc.8b00581","","x-ray","0.71073","MoKα","","0.0736","0.0522","","","0.1237","0.1353","","","","","","1.053","","","","has coordinates","226997","2020-10-21","18:00:00",""
"4035550","9.9037","0.0002","10.3559","0.0002","12.202","0.0003","76.739","0.001","74.565","0.001","70.695","0.001","1124.66","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Fe N2 O2 Te -","- C27 H22 Fe N2 O2 Te -","- C54 H44 Fe2 N4 O4 Te2 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0774","0.0528","","","0.1052","0.1193","","","","","","1.062","","","","has coordinates","226998","2020-10-21","18:00:00",""
"4035551","10.2491","0.0006","10.4201","0.0006","14.1625","0.0008","98.177","0.003","105.196","0.003","102.11","0.003","1395.62","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 Fe N2 O S2 -","- C34 H27 Fe N2 O S2 -","- C68 H54 Fe2 N4 O2 S4 -","2","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.0692","0.043","","","0.0878","0.097","","","","","","1.034","","","","has coordinates","226999","2020-10-21","18:00:00",""
"4035552","12.5422","0.0015","9.6419","0.0012","19.812","0.002","90","","97.568","0.004","90","","2375","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Fe N2 O3 Se -","- C28 H24 Fe N2 O3 Se -","- C112 H96 Fe4 N8 O12 Se4 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1144","0.0671","","","0.1432","0.1662","","","","","","1.073","","","","has coordinates","227000","2020-10-21","18:00:00",""
"4035553","9.2482","0.0011","29.535","0.004","9.8061","0.0011","90","","108.106","0.004","90","","2545.9","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Fe N2 O S2 Se2 -","- C28 H20 Fe N2 O S2 Se2 -","- C112 H80 Fe4 N8 O4 S8 Se8 -","4","1","","Sattar, Moh; Shareef, Muhammed; Patidar, Krishna; Kumar, Sangit","Copper-Catalyzed 8-Aminoquinoline Assisted Aryl Chalcogenation of Ferroceneamide with Aryl Disulfides, Diselenides, and Ditellurides.","The Journal of organic chemistry","2018","83","15","8241","8249","10.1021/acs.joc.8b00974","","","0.71073","MoKα","","0.1148","0.0585","","","0.1191","0.1505","","","","","","0.779","","","","has coordinates","227001","2020-10-21","18:00:00",""
"4035554","22.07","0.005","6.411","0.003","11.639","0.003","90","","113.74","0.02","90","","1507.5","0.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Pinto, Alexandre; Piccichè, Miriam; Griera, Rosa; Molins, Elies; Bosch, Joan; Amat, Mercedes","Studies on the Synthesis of Phlegmarine-Type Lycopodium Alkaloids: Enantioselective Synthesis of (-)-Cermizine B, (+)-Serratezomine E, and (+)-Luciduline.","The Journal of organic chemistry","2018","83","15","8364","8375","10.1021/acs.joc.8b00983","","x-ray","0.71073","MoKα","","0.0751","0.0445","","","0.1056","0.1175","","","","","","1.065","","","","has coordinates","227002","2020-10-21","18:00:00",""
"4035555","10.3724","0.0006","14.9192","0.0009","20.5335","0.0012","74.817","0.005","76.036","0.005","83.497","0.005","2971.7","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H37 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","2","","Jadhav, Abhijeet S.; Pankhade, Yogesh A.; Vijaya Anand, Ramasamy","Exploring Gold Catalysis in a 1,6-Conjugate Addition/Domino Electrophilic Cyclization Cascade: Synthesis of Cyclohepta[ b]indoles.","The Journal of organic chemistry","2018","83","15","8615","8626","10.1021/acs.joc.8b00607","","x-ray","0.71073","MoKα","","0.1905","0.0854","","","0.2055","0.292","","","","","","0.994","","","","has coordinates","227003","2020-10-21","18:00:00",""
"4035556","13.333","0.002","15.334","0.002","10.1707","0.0015","90","","105.845","0.004","90","","2000.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C100 H80 Br4 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0846","0.0513","","","0.1503","0.1707","","","","","","1.076","","","","has coordinates","227004","2020-10-21","18:00:00",""
"4035557","13.498","0.002","15.224","0.002","10.0932","0.0015","90","","105.787","0.004","90","","1995.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br2 N O2 -","- C24 H17 Br2 N O2 -","- C96 H68 Br8 N4 O8 -","4","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0888","0.0545","","","0.1502","0.1709","","","","","","1.025","","","","has coordinates","227005","2020-10-21","18:00:00",""
"4035558","31.317","0.011","6.319","0.002","19.015","0.006","90","","116.17","0.008","90","","3377.2","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Br Cl N O2 -","- C19 H15 Br Cl N O2 -","- C152 H120 Br8 Cl8 N8 O16 -","8","1","","Li, Jian; Bai, Shuhua; Li, Yang; Wang, Zhengbing; Huo, Xiaoyu; Liu, Li","Copper-Catalyzed Ring Expansion of Cyclopropyl Ketones/Formation of N-acyliminium/Hetero-[4 + 2]-Cycloaddition: A Route to Substituted Pentacyclic Isoindolin-1-one.","The Journal of organic chemistry","2018","83","15","8780","8785","10.1021/acs.joc.8b01120","","","0.71073","MoKα","","0.0824","0.0486","","","0.1341","0.1673","","","","","","1.014","","","","has coordinates","227006","2020-10-21","18:00:00",""
"4035559","8.5428","0.0004","17.2873","0.0009","18.2419","0.0008","90","","90","","90","","2694","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 Si -","- C30 H30 O5 Si -","- C120 H120 O20 Si4 -","4","1","","Tanabe, Genzoh; Manse, Yoshiaki; Ogawa, Teppei; Sonoda, Naoki; Marumoto, Shinsuke; Ishikawa, Fumihiro; Ninomiya, Kiyofumi; Chaipech, Saowanee; Pongpiriyadacha, Yutana; Muraoka, Osamu; Morikawa, Toshio","Total Synthesis of γ-Alkylidenebutenolides, Potent Melanogenesis Inhibitors from Thai Medicinal Plant Melodorum fruticosum.","The Journal of organic chemistry","2018","83","15","8250","8264","10.1021/acs.joc.8b00986","","","0.71075","MoKα","","","0.0371","","","","0.0926","","","","","","0.763","","","","has coordinates","227007","2020-10-21","18:00:00",""
"4035560","5.4859","0.0002","7.6978","0.0002","16.1908","0.0005","78.393","0.002","80.255","0.002","87.923","0.002","660.08","0.04","100","2","100","2","","","","","","","","5","P 1","P 1","1","DF2 - 17ALE001","","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C26 H36 Cl2 N2 O8 -","2","2","","Rocha, Juliana F.; Freitas, David S.; Noro, Jennifer; Silva Teixeira, Carla S.; Sousa, Cristina E. A.; Alves, Maria J.; Cerqueira, Nuno M. F. S. A.","Total Stereoselective Michael Addition of N- and S- Nucleophiles to a d-Erythrosyl 1,5-Lactone Derivative. Experimental and Theoretical Studies Devoted to the Synthesis of 2,6-Dideoxy-4-functionalized-d- ribono-hexono-1,4-lactone.","The Journal of organic chemistry","2018","83","15","8011","8019","10.1021/acs.joc.8b00769","","","0.71073","MoKα","","0.0582","0.0434","","","0.0903","0.0969","","","","","","1.036","","","","has coordinates","227008","2020-10-21","18:00:00",""
"4035561","11.445","0.013","8.726","0.009","14.519","0.016","90","","102.75","0.05","90","","1414","3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 N O2 -","- C16 H11 Cl2 N O2 -","- C64 H44 Cl8 N4 O8 -","4","1","","Zhou, Rong; Zhang, Honghui; Liu, Jialin; Liu, Rongfang; Gao, Wen-Chao; Qiao, Yan; Li, Ruifeng","Chemoselective P(NMe<sub>2</sub>)<sub>3</sub>-Mediated Reductive Epoxidation between Two Different Carbonyl Electrophiles: Synthesis of Highly Functionalized Unsymmetrical Epoxides.","The Journal of organic chemistry","2018","83","15","8272","8280","10.1021/acs.joc.8b00995","","","0.71076","MoKα","","0.0389","0.032","","","0.0844","0.089","","","","","","1.048","","","","has coordinates","227009","2020-10-21","18:00:00",""
"4035562","8.7431","0.0003","10.3339","0.0003","26.7833","0.0009","90","","90","","90","","2419.88","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21.95 H33 F2.85 I0.05 O7 -","- C21.95 H33 F2.85 I0.05 O7 -","- C87.8 H132 F11.4 I0.2 O28 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0375","0.0333","","","0.0867","0.0886","","","","","","1.053","","","","has coordinates,has disorder","227010","2020-10-21","18:00:00",""
"4035563","6.9858","0.0006","23.733","0.002","8.2231","0.0008","90","","90.395","0.003","90","","1363.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F4 N O2 -","- C14 H13 F4 N O2 -","- C56 H52 F16 N4 O8 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0634","0.0479","","","0.1123","0.1208","","","","","","1.04","","","","has coordinates,has disorder","227011","2020-10-21","18:00:00",""
"4035564","7.43","0.002","12.034","0.003","21.281","0.006","85.531","0.006","80.177","0.005","81.927","0.005","1853.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O4 S -","- C19 H18 N2 O4 S -","- C76 H72 N8 O16 S4 -","4","2","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.1538","0.0776","","","0.1323","0.1665","","","","","","1.022","","","","has coordinates","227012","2020-10-21","18:00:00",""
"4035565","10.668","0.0011","23.33","0.003","8.0236","0.0009","90","","99.37","0.01","90","","1970.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(3aS,7aS)-7a-tert-butyl-1-(methylsulfonyl)-3a,7a-dihydro-1H-indol-3-yl]","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","x-ray","1.54184","CuKα","","0.0815","0.0578","","","0.1234","0.1343","","","","","","1.042","","","","has coordinates","227013","2020-10-21","18:00:00",""
"4035566","13.97","0.002","32.97","0.005","7.0999","0.0011","90","","90","","90","","3270.1","0.8","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C144 H128 N16 O32 S8 -","8","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0831","0.0652","","","0.1381","0.1468","","","","","","1.1","","","","has coordinates","227014","2020-10-21","18:00:00",""
"4035567","5.6732","0.0014","16.353","0.004","17.767","0.004","90","","90.125","0.004","90","","1648.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Wilkerson-Hill, Sidney M; Haines, Brandon E.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Synthesis of [3a,7a]-Dihydroindoles by a Tandem Arene Cyclopropanation/3,5-Sigmatropic Rearrangement Reaction.","The Journal of organic chemistry","2018","83","15","7939","7949","10.1021/acs.joc.8b00812","","","0.71073","MoKα","","0.0797","0.0635","","","0.1349","0.1443","","","","","","1.07","","","","has coordinates","227015","2020-10-21","18:00:00",""
"4035568","20.142","0.003","8.359","0.002","12.4889","0.0017","90","","91.811","0.014","90","","2101.7","0.7","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl F N O2 S -","- C22 H23 Cl F N O2 S -","- C88 H92 Cl4 F4 N4 O8 S4 -","4","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.1448","0.0626","","","0.0905","0.1249","","","","","","1.02","","","","has coordinates","227016","2020-10-21","18:00:00",""
"4035569","6.2637","0.0009","11.6536","0.0011","13.7124","0.0015","72.602","0.009","87.821","0.01","87.697","0.01","954","0.2","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 F N O2 S -","- C22 H24 F N O2 S -","- C44 H48 F2 N2 O4 S2 -","2","1","","Xiang, Yu; Li, Zining; Wang, Lu-Ning; Yu, Zhi-Xiang","TfOH- and HBF<sub>4</sub>-Mediated Formal Cycloisomerizations and [4+3] Cycloadditions of Allene-alkynylbenzenes.","The Journal of organic chemistry","2018","83","15","7633","7647","10.1021/acs.joc.8b00393","","","0.71073","MoKα","","0.11","0.0727","","","0.1574","0.1979","","","","","","1.036","","","","has coordinates","227017","2020-10-21","18:00:00",""
"4035570","9.4719","0.0004","24.5538","0.001","9.7594","0.0005","90","","113.578","0.006","90","","2080.27","0.19","100","0.1","100","0.1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0439","0.0389","","","0.0978","0.1041","","","","","","1.061","","","","has coordinates","227018","2020-10-21","18:00:00",""
"4035571","9.15169","0.00016","16.2452","0.0002","24.955","0.0003","90","","90","","90","","3710.09","0.09","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0449","0.04","","","0.1053","0.1111","","","","","","1.076","","","","has coordinates","227019","2020-10-21","18:00:00",""
"4035572","15.6066","0.0004","11.2438","0.0002","22.0936","0.0005","90","","94.685","0.002","90","","3863.98","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.053","0.0432","","","0.1115","0.1217","","","","","","1.031","","","","has coordinates","227020","2020-10-21","18:00:00",""
"4035573","12.9746","0.0005","13.3439","0.0005","13.6301","0.0005","108.812","0.003","101.75","0.003","103.021","0.003","2076.35","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.0602","0.0443","","","0.1145","0.1267","","","","","","1.052","","","","has coordinates","227021","2020-10-21","18:00:00",""
"4035574","10.06464","0.00015","13.935","0.0003","16.1031","0.0003","65.187","0.002","85.6988","0.0015","89.9095","0.0015","2043.09","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","2","","Nechaev, Anton A.; Van Hecke, Kristof; Zaman, Manzoor; Kashtanov, Stepan; Ungur, Liviu; Pereshivko, Olga P.; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Gold-Catalyzed Post-Ugi Ipso-Cyclization with Switchable Diastereoselectivity.","The Journal of organic chemistry","2018","83","15","8170","8182","10.1021/acs.joc.8b00953","","x-ray","1.54184","CuKα","","0.044","0.0406","","","0.1041","0.1083","","","","","","1.052","","","","has coordinates","227022","2020-10-21","18:00:00",""
"4035575","7.7771","0.0003","21.9081","0.0004","7.8071","0.0002","90","","115.213","0.004","90","","1203.46","0.07","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Pandey, Khima; Rangan, Krishnan; Kumar, Anil","One-Pot Tandem Amidation, Knoevenagel Condensation, and Palladium-Catalyzed Wacker Type Oxidation/C-O Coupling: Synthesis of Chromeno-Annulated Imidazopyridines.","The Journal of organic chemistry","2018","83","15","8026","8035","10.1021/acs.joc.8b00884","","x-ray","1.54184","CuKα","","0.0385","0.0372","","","0.105","0.1062","","","","","","1.07","","","","has coordinates","227023","2020-10-21","18:00:00",""
"4035576","15.9281","0.0005","17.8665","0.0006","24.3461","0.0009","100.205","0.003","108.698","0.003","106.474","0.003","6013","0.4","290.89","0.1","290.89","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O3 S -","- C29 H25 N O3 S -","- C290 H250 N10 O30 S10 -","10","5","","Bai, Li-Gang; Chen, Ming-Tao; Xiao, Dong-Rong; Zhao, Liu-Bin; Luo, Qun-Li","Access to Multisubstituted Furan-3-carbothioates via Cascade Annulation of α-Oxo Ketene Dithioacetals with Isoindoline-1,3-dione-Derived Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","7648","7658","10.1021/acs.joc.8b00401","","x-ray","1.54184","CuKα","","0.192","0.0728","","","0.2657","0.4348","","","","","","0.874","","","","has coordinates","227024","2020-10-21","18:00:00",""
"4035577","6.6234","0.0002","18.9368","0.0009","14.213","0.0006","90","","94.217","0.004","90","","1777.85","0.13","149.8","0.3","149.8","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methyl-1,3-diphenylcyclopropyl)(piperidin-1-yl)methanone","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0667","0.0587","","","0.1394","0.1451","","","","","","1.142","","","","has coordinates,has disorder","227025","2020-10-21","18:00:00",""
"4035578","14.9999","0.0002","7.56312","0.00008","17.996","0.0003","90","","113.275","0.0018","90","","1875.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C88 H108 N4 O8 -","4","1","","Edwards, Andrew; Rubin, Michael","Directed Cu(I)-Catalyzed Carbomagnesiation of 1-Arylcycloprop-2-ene-1-carboxamides En Route to Densely Substituted Functionalized Cyclopropanes.","The Journal of organic chemistry","2018","83","15","8426","8448","10.1021/acs.joc.8b01063","","x-ray","1.54184","CuKα","","0.0399","0.0366","","","0.0902","0.0942","","","","","","1.021","","","","has coordinates,has disorder","227026","2020-10-21","18:00:00",""
"4035579","14.64104","0.00018","14.06208","0.00016","18.3005","0.0002","90","","105.445","0.0013","90","","3631.71","0.08","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H32 O5 -","- C43 H32 O5 -","- C172 H128 O20 -","4","1","","Hayashi, Tomoya; Ohishi, Yuki; Hee-Soo, So; Abe, Hajime; Matsumoto, Shinya; Inouye, Masahiko","Spontaneous Helix Formation of "" meta""-Ethynylphenol Oligomers by Sequential Intramolecular Hydrogen Bonding inside the Cavities.","The Journal of organic chemistry","2018","83","15","8724","8730","10.1021/acs.joc.8b00996","","","1.54184","CuKα","","0.0617","0.0536","","","0.164","0.1722","","","","","","1.058","","","","has coordinates","227027","2020-10-21","18:00:00",""
"4035580","10.2355","0.0003","10.7883","0.0004","11.3643","0.0004","108.083","0.002","97.024","0.002","107.009","0.002","1108.94","0.07","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 B N6 O8 -","- C17 H23 B N6 O8 -","- C34 H46 B2 N12 O16 -","2","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","Reactions of N-Heterocyclic Carbene Boranes with 5-Diazo-2,2-dimethyl-1,3-dioxane-4,6-dione: Synthesis of Mono- and Bis-hydrazonyl NHC-Boranes.","The Journal of organic chemistry","2018","83","15","8775","8779","10.1021/acs.joc.8b01125","","","1.54178","CuKα","","0.1053","0.0532","","","0.124","0.1477","","","","","","1.023","","","","has coordinates","227028","2020-10-21","18:00:00",""
"4035581","16.2482","0.0003","8.3987","0.0002","25.8","0.0006","90","","90","","90","","3520.76","0.13","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O2 S -","- C18 H20 Br N O2 S -","- C144 H160 Br8 N8 O16 S8 -","8","1","","Maiti, Saikat; Bose, Anima; Mal, Prasenjit","Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation.","The Journal of organic chemistry","2018","83","15","8127","8138","10.1021/acs.joc.8b00921","","","0.71073","MoKα","","0.0665","0.0356","","","0.0826","0.0961","","","","","","1.011","","","","has coordinates","227029","2020-10-21","18:00:00",""
"4035582","12.693","0.005","17.549","0.007","10.385","0.004","90","","103.635","0.011","90","","2248.1","1.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O4 -","- C27 H24 N4 O4 -","- C108 H96 N16 O16 -","4","1","","Jin, Qiaomei; Zhang, Jian; Jiang, Cuihua; Zhang, Dongjian; Gao, Meng; Hu, Shihe","Self [3 + 4] Cycloadditions of Isatin N, N'-Cyclic Azomethine Imine 1,3-Dipole with N-( o-Chloromethyl)aryl Amides.","The Journal of organic chemistry","2018","83","15","8410","8416","10.1021/acs.joc.8b01055","","","0.71073","MoKα","","0.1148","0.0565","","","0.1311","0.168","","","","","","0.97","","","","has coordinates","227030","2020-10-21","18:00:00",""
"4035583","8.4804","0.0007","12.5579","0.0011","18.2886","0.0017","90","","102.799","0.006","90","","1899.3","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C88 H64 N16 O12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","x-ray","0.71073","MoKα","","0.1367","0.0632","","","0.1402","0.184","","","","","","0.955","","","","has coordinates","227031","2020-10-21","18:00:00",""
"4035584","9.4287","0.0004","9.7444","0.0005","18.0606","0.0008","90","","103.808","0.002","90","","1611.4","0.13","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","","Thirupathi, Annaram; Janni, Manojkumar; Peruncheralathan, Saravanan","Copper Catalyzed Intramolecular N-Arylation of Ketene Aminals at Room Temperature: Synthesis of 2-Amino-3-cyanoindoles.","The Journal of organic chemistry","2018","83","15","8668","8678","10.1021/acs.joc.8b00816","","","0.71073","MoKα","","0.0762","0.0575","","","0.1957","0.2386","","","","","","0.937","","","","has coordinates","227032","2020-10-21","18:00:00",""
"4035585","31.1778","0.0017","9.74516","0.00016","17.5366","0.001","90","","136.127","0.01","90","","3692.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O2 S2 -","- C20 H18 N2 O2 S2 -","- C160 H144 N16 O16 S16 -","8","1","","Risso, Vesna; Farran, Daniel; Javierre, Guilhem; Naubron, Jean-Valère; Giorgi, Michel; Piras, Patrick; Jean, Marion; Vanthuyne, Nicolas; Fruttero, Roberta; Lorcy, Dominique; Roussel, Christian","Atropisomerism in a 10-Membered Ring with Multiple Chirality Axes: (3 Z,9 Z)-1,2,5,8-Dithiadiazecine-6,7(5 H,8 H)-dione Series.","The Journal of organic chemistry","2018","83","15","7566","7573","10.1021/acs.joc.8b01009","","x-ray","1.54184","CuKα","","0.0356","0.0321","","","0.1231","0.1288","","","","","","1.088","","","","has coordinates","227033","2020-10-21","18:00:00",""
"4035586","5.0522","0.0003","8.4389","0.0005","21.7226","0.0011","90","","90","","90","","926.14","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C40 H28 N12 O4 -","4","1","","Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","2-Diazoacetyl-2 H-azirines: Source of a Variety of 2 H-Azirine Building Blocks with Orthogonal and Domino Reactivity.","The Journal of organic chemistry","2018","83","15","8304","8314","10.1021/acs.joc.8b01004","","x-ray","0.71073","MoKα","","0.0556","0.0508","","","0.1285","0.1315","","","","","","1.076","","","","has coordinates","227034","2020-10-21","18:00:00",""
"4035587","7.4368","0.0002","13.4944","0.0004","18.75","0.0006","90","","90","","90","","1881.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Hu, Xinyue; Zhou, Yuhang; Lu, Yan; Zou, Sijia; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Dioxopyrrolidines with Hetero-Substituted Alkenes.","The Journal of organic chemistry","2018","83","15","8679","8687","10.1021/acs.joc.8b00839","","x-ray","1.54184","CuKα","","0.061","0.055","","","0.1465","0.1548","","","","","","1.049","","","","has coordinates","227035","2020-10-21","18:00:00",""
"4035588","8.4687","0.0008","9.9801","0.0012","14.1033","0.0013","102.135","0.006","92.914","0.006","107.852","0.006","1100.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O3 S -","- C25 H24 N2 O3 S -","- C50 H48 N4 O6 S2 -","2","1","","Chen, Xiaofeng; Fan, Jinbao; Zeng, Guangyao; Ma, Jinjin; Wang, Chenxi; Wang, Yajing; Zhou, Yingjun; Deng, Xu","Access to 3a-Benzoylmethyl Pyrrolidino[2,3- b]indolines via Cu<sup>II</sup>-Catalyzed Radical Annulation/C3-Functionalization Sequence.","The Journal of organic chemistry","2018","83","15","8322","8330","10.1021/acs.joc.8b01017","","","0.71073","MoKα","","0.1278","0.1116","","","0.3471","0.3572","","","","","","1.025","","","","has coordinates","227036","2020-10-21","18:00:00",""
"4035589","16.052","0.005","9.318","0.005","22.822","0.005","90","0.005","90.493","0.005","90","0.005","3413","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Br2 N3 Pd -","- C36 H39 Br2 N3 Pd -","- C144 H156 Br8 N12 Pd4 -","4","1","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.054","0.0356","","","0.0716","0.0793","","","","","","1.055","","","","has coordinates","227037","2020-10-21","18:00:00",""
"4035590","16.9451","0.0012","31.169","0.002","9.0524","0.0006","90","","90","","90","","4781.1","0.6","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H48 Br4 N6 Pd2 -","- C41 H48 Br4 N6 Pd2 -","- C164 H192 Br16 N24 Pd8 -","4","0.5","","Reddy Panyam, Pradeep Kumar; Ugale, Bharat; Gandhi, Thirumanavelan","Palladium(II)/N-Heterocyclic Carbene Catalyzed One-Pot Sequential α-Arylation/Alkylation: Access to 3,3-Disubstituted Oxindoles.","The Journal of organic chemistry","2018","83","15","7622","7632","10.1021/acs.joc.8b00264","","","0.71073","MoKα","","0.0475","0.0436","","","0.1108","0.1131","","","","","","1.135","","","","has coordinates","227038","2020-10-21","18:00:00",""
"4035591","5.8738","0.0008","13.747","0.0018","20.081","0.003","90","","96.776","0.002","90","","1610.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Methyl-5'-(4-tolyl)-2'H-spiro[indole-3,3'-pyrrolidine]-2,2'(1H)-dione","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Zaytsev, Sergey V.; Ivanov, Konstantin L.; Skvortsov, Dmitry A.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Nucleophilic Ring Opening of Donor-Acceptor Cyclopropanes with the Cyanate Ion: Access to Spiro[pyrrolidone-3,3'-oxindoles].","The Journal of organic chemistry","2018","83","15","8695","8709","10.1021/acs.joc.8b00922","","","0.71073","MoKα","","0.0709","0.0522","","","0.1217","0.1325","","","","","","1.041","","","","has coordinates,has disorder","227039","2020-10-21","18:00:00",""
"4035592","30.9223","0.0003","30.9223","0.0003","8.3338","0.0001","90","","90","","120","","6901.08","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","R 3 :H","R 3","146","","cleistoperlone B","","- C109 H103 Cl3 O24 -","- C109 H103 Cl3 O24 -","- C327 H309 Cl9 O72 -","3","0.333333","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0255","0.0255","","","0.0714","0.0714","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035593","24.7977","0.0003","13.2591","0.00016","18.0031","0.0002","90","","96.1889","0.0011","90","","5884.83","0.12","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","cleistoperlone A","","- C36 H34 O8 -","- C36 H34 O8 -","- C288 H272 O64 -","8","1","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0371","0.0341","","","0.0918","0.0944","","","","","","1.033","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4035594","10.9193","0.0003","24.6258","0.0006","11.4467","0.0003","90","","99.262","0.002","90","","3037.85","0.14","293","2","293","2","","","","","","","Cleistocalyx operculatus","3","P 1 21/n 1","-P 2yn","14","2',4'-dihydroxy-3',5'-dimethyl-6'-methoxychalcone","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","","1.54184","CuKα","","0.0655","0.0601","","","0.1704","0.1749","","","","","","1.082","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4035595","10.2778","0.0004","10.3228","0.0005","12.3658","0.0006","112.387","0.005","105.71","0.004","92.527","0.004","1151.68","0.11","100","0.6","100","0.6","","","","","","","Cleistocalyx operculatus","3","P 1","P 1","1","operculatol A","","","- C28 H32 O4 -","- C28 H32 O4 -","- C56 H64 O8 -","2","2","","Su, Jun-Cheng; Wang, Shan; Cheng, Wen; Huang, Xiao-Jun; Li, Man-Mei; Jiang, Ren-Wang; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai; Wang, Ying","Phloroglucinol Derivatives with Unusual Skeletons from Cleistocalyx operculatus and Their in Vitro Antiviral Activity.","The Journal of organic chemistry","2018","83","15","8522","8532","10.1021/acs.joc.8b01050","","x-ray","1.54184","CuKα","","0.0815","0.0748","","","0.1996","0.2073","","","","","","1.071","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035596","12.5508","0.0018","4.7813","0.0007","20.425","0.003","90","","103.082","0.004","90","","1193.9","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 F3 N O2 S -","- C12 H10 F3 N O2 S -","- C48 H40 F12 N4 O8 S4 -","4","1","","Wang, Rongkang; Jiang, Lvqi; Yi, Wenbin","Metal-Free Electrophilic Trifluoroethylthiolation with NaSO<sub>2</sub>CH<sub>2</sub>CF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","7789","7798","10.1021/acs.joc.8b00676","","","0.71073","MoKα","","0.0462","0.0346","","","0.0824","0.0879","","","","","","1.007","","","","has coordinates","227044","2020-10-21","18:00:00",""
"4035597","28.39","0.02","8.148","0.007","20.029","0.016","90","","100.78","0.03","90","","4551","6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl2 N5 Ni O2.5 -","- C18 H17 Cl2 N5 Ni O2.5 -","- C144 H136 Cl16 N40 Ni8 O20 -","8","1","","Chakraborty, Mou; Sengupta, Debabrata; Saha, Tanushri; Goswami, Sreebrata","Ligand Redox-Controlled Tandem Synthesis of Azines from Aromatic Alcohols and Hydrazine in Air: One-Pot Synthesis of Phthalazine.","The Journal of organic chemistry","2018","83","15","7771","7778","10.1021/acs.joc.8b00661","","","0.71073","MoKα","","0.266","0.0857","","","0.1747","0.2587","","","","","","0.996","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4035598","7.7451","0.0002","14.5492","0.0005","15.9101","0.0005","90","","90","","90","","1792.83","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br I O S -","- C19 H14 Br I O S -","- C76 H56 Br4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.029","0.0229","","","0.0445","0.0459","","","","","","0.939","","","","has coordinates","227046","2020-10-21","18:00:00",""
"4035599","7.6988","0.0002","14.3742","0.0005","15.9878","0.0006","90","","90","","90","","1769.28","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl I O S -","- C19 H14 Cl I O S -","- C76 H56 Cl4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0478","0.0342","","","0.0768","0.096","","","","","","1.12","","","","has coordinates","227047","2020-10-21","18:00:00",""
"4035600","7.8851","0.0003","13.9461","0.0004","16.1582","0.0007","90","","90","","90","","1776.86","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O2 S -","- C20 H17 Cl O2 S -","- C80 H68 Cl4 O8 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0664","0.0427","","","0.0906","0.1045","","","","","","1.07","","","","has coordinates","227049","2020-10-21","18:00:00",""
"4035601","10.6727","0.0002","12.2092","0.0002","15.0377","0.0002","90","","101.465","0.001","90","","1920.39","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0436","0.04","","","0.1099","0.1129","","","","","","1.058","","","","has coordinates","227050","2020-10-21","18:00:00",""
"4035602","8.4787","0.0004","8.6972","0.0004","15.3983","0.0007","75.798","0.004","75.711","0.004","61.508","0.005","956.17","0.09","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C48 H44 N4 O4 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.039","0.0356","","","0.0924","0.0953","","","","","","1.06","","","","has coordinates","227051","2020-10-21","18:00:00",""
"4035603","9.6373","0.0003","9.6529","0.0003","11.2938","0.0004","104.087","0.003","108.553","0.003","93.234","0.002","955.79","0.06","293.48","0.1","293.48","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C48 H44 N4 O6 -","2","1","","Simeth, Nadja A.; Altmann, Lisa-Marie; Wössner, Nathalie; Bauer, Elisabeth; Jung, Manfred; König, Burkhard","Photochromic Indolyl Fulgimides as Chromo-pharmacophores Targeting Sirtuins.","The Journal of organic chemistry","2018","83","15","7919","7927","10.1021/acs.joc.8b00795","","x-ray","1.54184","CuKα","","0.0407","0.0351","","","0.0866","0.0909","","","","","","1.035","","","","has coordinates","227052","2020-10-21","18:00:00",""
"4035604","12.197","0.003","18.407","0.005","10.556","0.003","99.057","0.006","99.848","0.006","98.921","0.006","2265.2","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","- C88 H132 Br4 O16 -","1","0.5","","Corradi, Silvia; Mazzoccanti, Giulia; Ghirga, Francesca; Quaglio, Deborah; Nevola, Laura; Massera, Chiara; Ugozzoli, Franco; Giannini, Giuseppe; Ciogli, Alessia; D'Acquarica, Ilaria","Synthesis of Bromoundecyl Resorc[4]arenes and Applications of the Cone Stereoisomer as Selector for Liquid Chromatography.","The Journal of organic chemistry","2018","83","15","7683","7693","10.1021/acs.joc.8b00488","","","0.71073","MoKα","","0.2636","0.1116","","","0.291","0.3495","","","","","","1.013","","","","has coordinates","227053","2020-10-21","18:00:00",""
"4035605","7.0293","0.0003","9.9371","0.0007","11.3882","0.0008","111.307","0.003","101.28","0.004","92.617","0.004","720.83","0.08","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C32 H40 Cl2 N2 O4 -","2","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Total Synthesis of (±)-Crinane from 6,6-Dibromobicyclo[3.1.0]hexane Using a 5- exo- trig Radical Cyclization Reaction to Assemble the C3a-Arylated Perhydroindole Substructure.","The Journal of organic chemistry","2018","83","15","8493","8498","10.1021/acs.joc.8b01088","","","0.71073","MoKα","","0.0596","0.0424","","0.1102","0.0997","0.1102","","","","","","0.9949","","","","has coordinates","227054","2020-10-21","18:00:00",""
"4035606","11.587","0.001","9.8447","0.0009","21.773","0.002","90","","103.624","0.004","90","","2413.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O2 S -","- C31 H25 N O2 S -","- C124 H100 N4 O8 S4 -","4","1","","Chakraborty, Baitan; Jalal, Swapnadeep; Paul, Kartick; Kundal, Sandip; Jana, Umasish","Metal-Catalyzed Domino Synthesis of Benzophenanthridines and 6 H-Naphtho[2,3- c]-chromenes.","The Journal of organic chemistry","2018","83","15","8139","8149","10.1021/acs.joc.8b00924","","","0.71073","MoKα","","0.0573","0.0444","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","227055","2020-10-21","18:00:00",""
"4035607","22.1891","0.0017","6.3782","0.0006","19.734","0.002","90","","90.833","0.008","90","","2792.6","0.4","295.2","0.3","295.2","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N -","- C18 H17 N -","- C144 H136 N8 -","8","1","","Song, Xia; Gao, Cai; Li, Bin; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of 2-Alkenylindoles and 2-Alkenylindole-3-carboxylates through the Cascade Reactions of N-Nitrosoanilines with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8509","8521","10.1021/acs.joc.8b01098","","x-ray","0.71073","MoKα","","0.0681","0.0596","","","0.1443","0.1517","","","","","","1.09","","","","has coordinates","227056","2020-10-21","18:00:00",""
"4035608","15.605","0.0018","12.3062","0.0014","9.1044","0.001","90","","116.98","0.003","90","","1558.1","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0894","0.0513","","","0.1034","0.1165","","","","","","1.029","","","","has coordinates","227057","2020-10-21","18:00:00",""
"4035609","13.486","0.0018","11.4551","0.0014","12.082","0.0016","90","","102.923","0.004","90","","1819.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O3 S -","- C21 H18 F N O3 S -","- C84 H72 F4 N4 O12 S4 -","4","1","","Mal, Abhijit; Wani, Imtiyaz Ahmad; Goswami, Gaurav; Ghorai, Manas K.","Synthesis of Nonracemic 1,4-Benzoxazines via Ring Opening/Cyclization of Activated Aziridines with 2-Halophenols: Formal Synthesis of Levofloxacin.","The Journal of organic chemistry","2018","83","15","7907","7918","10.1021/acs.joc.8b00788","","","0.71073","MoKα","","0.0824","0.0461","","","0.1093","0.1227","","","","","","1.079","","","","has coordinates","227058","2020-10-21","18:00:00",""
"4035610","11.211","0.0008","14.2243","0.0011","16.9228","0.0013","90","","90","","90","","2698.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C120 H108 N12 O24 -","4","1","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Organocatalytic Asymmetric Synthesis of 3,3'-Pyrrolidinyl-bispirooxindoles via Michael/ N-Hemiketalization Cascade Reaction between 3-Aminooxindoles and Isatin-Derived β,γ-Unsaturated α-Keto Esters.","The Journal of organic chemistry","2018","83","15","7741","7750","10.1021/acs.joc.8b00632","","","0.71073","MoKα","","0.0541","0.0424","","","0.1111","0.1184","","","","","","1.013","","","","has coordinates","227059","2020-10-21","18:00:00",""
"4035611","7.8808","0.0004","10.2314","0.0005","11.1564","0.0005","90.661","0.002","93.685","0.002","98.549","0.002","887.52","0.07","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O -","- C21 H23 N O -","- C42 H46 N2 O2 -","2","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.0805","0.0647","","","0.1737","0.1974","","","","","","1.0955","","","","has coordinates","227060","2020-10-21","18:00:00",""
"4035612","9.9055","0.0005","16.8514","0.0009","16.5076","0.0009","90","","98.01","0.001","90","","2728.6","0.2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 F6 N O2 Ru S Sb -","- C22 H32 F6 N O2 Ru S Sb -","- C88 H128 F24 N4 O8 Ru4 S4 Sb4 -","4","1","","Anukumar, Adapa; Tamizmani, Masilamani; Jeganmohan, Masilamani","Ruthenium(II)-Catalyzed Regioselective-Controlled Allenylation/Cyclization of Benzimides with Propargyl Alcohols.","The Journal of organic chemistry","2018","83","15","8567","8580","10.1021/acs.joc.8b01123","","","0.71073","MoKα","","0.094","0.0518","","","0.1147","0.133","","","","","","1.016","","","","has coordinates","227061","2020-10-21","18:00:00",""
"4035613","5.5636","0.0001","10.0307","0.0003","17.1567","0.0004","90","","94.85","0.002","90","","954.03","0.04","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Huang, Yekai; Li, Yanan; Sun, Jianan; Li, Jindong; Zha, Zhenggen; Wang, Zhiyong","Enantioselective Hetero-Diels-Alder Reaction and the Synthesis of Spiropyrrolidone Derivatives.","The Journal of organic chemistry","2018","83","15","8464","8472","10.1021/acs.joc.8b01057","","","1.54184","CuKα","","0.0405","0.0401","","","0.1076","0.1082","","","","","","1.04","","","","has coordinates","227062","2020-10-21","18:00:00",""
"4035614","11.506","0.003","8.565","0.002","18.844","0.005","90","","104.706","0.004","90","","1796.2","0.8","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O6 -","- C17 H25 N O6 -","- C68 H100 N4 O24 -","4","1","","Chaumont, Pauline; Baudoux, Jérome; Maddaluno, Jacques; Rouden, Jacques; Harrison-Marchand, Anne","Access to Anti or Syn 2-Amino-1,3-diol Scaffolds from a Common Decarboxylative Aldol Adduct.","The Journal of organic chemistry","2018","83","15","8081","8091","10.1021/acs.joc.8b00901","","x-ray","0.71073","MoKα","","0.0631","0.0472","","","0.1233","0.1364","","","","","","1.029","","","","has coordinates","227063","2020-10-21","18:00:00",""
"4035615","10.0751","0.0006","10.5272","0.0005","12.2309","0.0009","107.851","0.005","98.524","0.005","103.443","0.005","1166.72","0.14","293","2","293","2","","","","","","","synthesis","5","P -1","-P 1","2","","unk","","- C27 H23 Cl N2 O3 -","- C27 H23 Cl N2 O3 -","- C54 H46 Cl2 N4 O6 -","2","1","","Mondal, Buddhadeb; Maity, Rajendra; Pan, Subhas Chandra","Highly Diastereo- and Enantioselective Synthesis of Spiro-tetrahydrofuran-pyrazolones via Organocatalytic Cascade Reaction between γ-Hydroxyenones and Unsaturated Pyrazolones.","The Journal of organic chemistry","2018","83","15","8645","8654","10.1021/acs.joc.8b00781","","x-ray","0.71073","MoKα","","0.0646","0.046","","","0.1055","0.1212","","","","","","1.054","","","","has coordinates","227064","2020-10-21","18:00:00",""
"4035616","8.0562","0.0004","11.4317","0.0004","23.0771","0.0008","90","","90","","90","","2125.31","0.15","293.38","0.1","293.38","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 S -","- C21 H28 O3 S -","- C84 H112 O12 S4 -","4","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","0.71073","MoKα","","0.0607","0.0476","","","0.1044","0.1147","","","","","","1.094","","","","has coordinates","227065","2020-10-21","18:00:00",""
"4035617","18.8922","0.0006","6.28593","0.00019","32.1626","0.001","90","","96.756","0.003","90","","3792.9","0.2","293.6","0.2","293.6","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C184 H152 N8 O16 S8 -","8","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","1.54184","CuKα","","0.0622","0.0525","","","0.1406","0.153","","","","","","1.086","","","","has coordinates","227066","2020-10-21","18:00:00",""
"4035618","16.583","0.003","8.866","0.002","14.163","0.003","90","0.03","105.46","0.03","90","0.03","2007","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","- C84 H80 Br4 N4 O12 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1689","0.0596","","","0.1146","0.1534","","","","","","0.916","","","","has coordinates","227067","2020-10-21","18:00:00",""
"4035619","7.47","0.007","8.825","0.009","14.677","0.015","106.34","0.03","98.72","0.04","98.1","0.04","900.4","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C40 H36 Br2 N2 O4 S2 -","2","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1989","0.0735","","","0.1541","0.2004","","","","","","0.967","","","","has coordinates","227068","2020-10-21","18:00:00",""
"4035620","10.674","","8.724","","19.899","","90","","90.82","","90","","1852.81","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0348","0.0282","","","0.0737","0.0787","","","","","","0.826","","","","has coordinates","227069","2020-10-21","18:00:00",""
"4035621","8.068","0.002","15.653","0.003","29.131","0.006","90","0.03","91.42","0.03","90","0.03","3677.8","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C160 H144 Br8 N8 O16 S8 -","8","2","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2346","0.0656","","","0.1496","0.2153","","","","","","0.846","","","","has coordinates","227070","2020-10-21","18:00:00",""
"4035622","12.501","0.003","9.83","0.002","16.624","0.003","90","0.03","96.1","0.03","90","0.03","2031.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 S -","- C22 H20 Br N O4 S -","- C88 H80 Br4 N4 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0751","0.0397","","","0.0859","0.0969","","","","","","1.036","","","","has coordinates","227071","2020-10-21","18:00:00",""
"4035623","14.669","0.003","12.306","0.002","10.376","0.002","90","0.03","95.33","0.03","90","0.03","1864.9","0.6","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","- C76 H60 Br4 N8 O16 S4 -","1","0.25","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2936","0.0963","","","0.2487","0.3317","","","","","","0.955","","","","has coordinates","227072","2020-10-21","18:00:00",""
"4035624","16.594","0.003","11.829","0.002","10.155","0.002","90","0.03","99.28","0.03","90","0.03","1967.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.2275","0.0943","","","0.2597","0.381","","","","","","1.081","","","","has coordinates","227073","2020-10-21","18:00:00",""
"4035625","13.362","0.003","12.695","0.003","10.481","0.002","90","0.03","92.45","0.03","90","0.03","1776.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O4 S -","- C19 H15 Br N2 O4 S -","- C76 H60 Br4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.0758","0.0399","","","0.0819","0.093","","","","","","1.013","","","","has coordinates","227074","2020-10-21","18:00:00",""
"4035626","14.7","0.003","10.776","0.002","11.324","0.002","90","0.03","101.79","0.03","90","0.03","1756","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl N2 O4 S -","- C19 H15 Cl N2 O4 S -","- C76 H60 Cl4 N8 O16 S4 -","4","1","","Das, Eshani; Basak, Shyam; Anoop, Anakuthil; Basak, Amit","Experiment and Computational Study on the Regioselectivity of Nucleophilic Addition to Unsymmetrical p-Benzynes Derived from Bergman Cyclization of Enediynes.","The Journal of organic chemistry","2018","83","15","7730","7740","10.1021/acs.joc.8b00624","","","0.71073","MoKα","","0.1672","0.0616","","","0.0806","0.1024","","","","","","0.911","","","","has coordinates","227075","2020-10-21","18:00:00",""
"4035627","12.6225","0.0007","11.0261","0.0004","11.4992","0.0007","90","","114.099","0.007","90","","1460.93","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Jie, Lianghua; Wang, Lianhui; Xiong, Dan; Yang, Zi; Zhao, Di; Cui, Xiuling","Synthesis of 2-Arylindoles through Pd(II)-Catalyzed Cyclization of Anilines with Vinyl Azides.","The Journal of organic chemistry","2018","83","18","10974","10984","10.1021/acs.joc.8b01618","","x-ray","1.54184","CuKα","","0.0586","0.0424","","","0.1107","0.124","","","","","","1.026","","","","has coordinates","227076","2020-10-21","18:00:00",""
"4035628","6.7121","0.0002","13.5402","0.0004","26.518","0.0008","90","","90","","90","","2410.04","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl- 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine","","- C24 H25 Cl F N7 O -","- C24 H25 Cl F N7 O -","- C96 H100 Cl4 F4 N28 O4 -","4","1","","Strotman, Neil A.; Ramirez, Antonio; Simmons, Eric M.; Soltani, Omid; Parsons, Andrew T.; Fan, Yu; Sawyer, James R.; Rosner, Thorsten; Janey, Jacob M.; Tran, Kristy; Li, Jun; La Cruz, Thomas E.; Pathirana, Charles; Ng, Alicia T.; Deerberg, Joerg","Enantioselective Synthesis of a γ-Secretase Modulator via Vinylogous Dynamic Kinetic Resolution.","The Journal of organic chemistry","2018","83","18","11133","11144","10.1021/acs.joc.8b01734","","","1.54178","CuKα","","0.0269","0.0259","","","0.0714","0.0721","","","","","","1.053","","","","has coordinates","227077","2020-10-21","18:00:00",""
"4035629","9.8583","0.0005","10.4135","0.0005","27.9889","0.0015","90","","97.161","0.003","90","","2850.9","0.3","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N7 O5 -","- C29 H37 N7 O5 -","- C116 H148 N28 O20 -","4","0.5","","Santhiya, Kuppusamy; Sen, Shovan K.; Natarajan, Ramalingam; Shankar, Ramasamy; Murugesapandian, Balasubramanian","D-A-D Structured Bis-acylhydrazone Exhibiting Aggregation-Induced Emission, Mechanochromic Luminescence, and Al(III) Detection.","The Journal of organic chemistry","2018","83","18","10770","10775","10.1021/acs.joc.8b01377","","","0.71073","MoKα","","0.1014","0.0687","","","0.1813","0.2057","","","","","","1.062","","","","has coordinates,has disorder","227078","2020-10-21","18:00:00",""
"4035630","16.6752","0.001","13.1536","0.0008","9.2239","0.0005","90","","102.569","0.002","90","","1974.7","0.2","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br O5 -","- C22 H21 Br O5 -","- C88 H84 Br4 O20 -","4","1","","Vayer, Marie; Guillot, Régis; Bour, Christophe; Gandon, Vincent","Synthesis of 3-Substituted 3-Bromo-1-phenylallenes from Alkynylcycloheptatrienes.","The Journal of organic chemistry","2018","83","18","11309","11317","10.1021/acs.joc.8b01498","","x-ray","0.71073","MoKα","","0.0616","0.0479","","","0.1433","0.1532","","","","","","1.025","","","","has coordinates","227079","2020-10-21","18:00:00",""
"4035631","8.5895","0.0005","10.8126","0.0006","14.9943","0.0007","72.385","0.002","81.878","0.002","75.389","0.003","1281.18","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32.5 H23 Cl N2 O3 -","- C32.5 H23 Cl N2 O3 -","- C65 H46 Cl2 N4 O6 -","2","1","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.113","0.0568","","","0.1442","0.1874","","","","","","1.034","","","","has coordinates,has disorder","227080","2020-10-21","18:00:00",""
"4035632","13.0898","0.0008","13.4038","0.0008","13.8384","0.0008","67.773","0.002","82.535","0.002","89.424","0.003","2226.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C124 H76 N4 O12 -","4","2","","Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy","Dictating the Reactivity of η<sup>3</sup>-Oxoallyl Pd-Intermediate toward 5- exo-trig Cyclization: Access to Indano-spirooxindoles.","The Journal of organic chemistry","2018","83","18","11298","11308","10.1021/acs.joc.8b01891","","","0.71073","MoKα","","0.1239","0.0613","","","0.1543","0.1966","","","","","","1.02","","","","has coordinates,has disorder","227081","2020-10-21","18:00:00",""
"4035633","24.0269","0.0004","11.51228","0.00018","15.7204","0.0003","90","","103.112","0.0019","90","","4234.97","0.13","293","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C192 H200 N8 O24 S8 -","8","1","","Bal, Ankita; Maiti, Saikat; Mal, Prasenjit","Iodine(III)-Enabled Distal C-H Functionalization of Biarylsulfonanilides.","The Journal of organic chemistry","2018","83","18","11278","11287","10.1021/acs.joc.8b01857","","","1.54184","CuKα","","0.0637","0.0611","","","0.1662","0.1696","","","","","","1.0278","","","","has coordinates","227082","2020-10-21","18:00:00",""
"4035634","9.6849","0.0008","14.6284","0.0011","20.1462","0.0016","90","","98.8224","0.0011","90","","2820.4","0.4","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","","Kishi, Atsushi; Moriyama, Katsuhiko; Togo, Hideo","Preparation of Phenanthridines from o-Cyanobiaryls via Addition of Organic Lithiums to Nitriles and Imino Radical Cyclization with Iodine.","The Journal of organic chemistry","2018","83","18","11080","11088","10.1021/acs.joc.8b01688","","","0.71073","MoKα","","0.0914","0.0484","","","0.1148","0.1416","","","","","","1.043","","","","has coordinates","227083","2020-10-21","18:00:00",""
"4035635","10.8906","0.0006","13.1404","0.0007","14.9044","0.0008","90","","90","","90","","2132.9","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Br O6 -","- C20 H29 Br O6 -","- C80 H116 Br4 O24 -","4","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0222","0.0201","","","0.047","0.0474","","","","","","0.918","","","","has coordinates","227084","2020-10-21","18:00:00",""
"4035636","10.6537","0.0001","10.6537","0.0001","29.4663","0.0004","90","","90","","120","","2896.39","0.05","123","2","123","2","","","","","","","","3","P 65","P 65","170","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C114 H180 O30 -","6","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0501","0.0457","","","0.1028","0.1053","","","","","","0.945","","","","has coordinates","227085","2020-10-21","18:00:00",""
"4035637","8.715","0.003","14.329","0.006","21.298","0.009","90","","90","","90","","2659.6","1.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Br N O3 S -","- C25 H36 Br N O3 S -","- C100 H144 Br4 N4 O12 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.","The Journal of organic chemistry","2018","83","18","10776","10785","10.1021/acs.joc.8b01381","","x-ray","0.71076","MoKα","","0.0868","0.0574","","","0.1397","0.1569","","","","","","1.02","","","","has coordinates","227086","2020-10-21","18:00:00",""
"4035638","14.466","0.002","7.833","0.0015","20.727","0.004","90","","98.549","0.015","90","","2322.5","0.7","298","2","298","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Castillo, Juan-Carlos; Tigreros, Alexis; Portilla, Jaime","3-Formylpyrazolo[1,5- a]pyrimidines as Key Intermediates for the Preparation of Functional Fluorophores.","The Journal of organic chemistry","2018","83","18","10887","10897","10.1021/acs.joc.8b01571","","","0.71073","MoKα","","0.0792","0.0603","","","0.1616","0.1816","","","","","","1.037","","","","has coordinates","227087","2020-10-21","18:00:00",""
"4035639","8.9612","0.001","10.0158","0.0006","12.9123","0.0009","86.048","0.005","82.551","0.007","75.919","0.007","1113.77","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O3 S -","- C24 H25 N3 O3 S -","- C48 H50 N6 O6 S2 -","2","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.0689","0.0484","","","0.1156","0.13","","","","","","1.029","","","","has coordinates","227088","2020-10-21","18:00:00",""
"4035640","5.6211","0.0005","10.32","0.0013","36.416","0.005","90","","90","","90","","2112.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 F N3 O4 S -","- C24 H20 F N3 O4 S -","- C96 H80 F4 N12 O16 S4 -","4","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.1252","0.0883","","","0.1595","0.1819","","","","","","1.09","","","","has coordinates","227089","2020-10-21","18:00:00",""
"4035641","14.274","0.004","14.345","0.004","27.42","0.008","90","","90","","90","","5615","3","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H51 N9 O12 -","- C64 H51 N9 O12 -","- C256 H204 N36 O48 -","4","1","","Ema, Tadashi; Yamasaki, Takayuki; Watanabe, Sagiri; Hiyoshi, Mahoko; Takaishi, Kazuto","Cross-Coupling Approach to an Array of Macrocyclic Receptors Functioning as Chiral Solvating Agents.","The Journal of organic chemistry","2018","83","18","10762","10769","10.1021/acs.joc.8b01327","","","0.71075","MoKα","","0.0433","0.0407","","","0.1043","0.107","","","","","","1","","","","has coordinates,has disorder","227090","2020-10-21","18:00:00",""
"4035642","17.5225","0.0004","17.5225","0.0004","13.2022","0.0007","90","","90","","90","","4053.6","0.3","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H18 N2 O2 S2 -","- C22 H18 N2 O2 S2 -","- C176 H144 N16 O16 S16 -","8","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.055","0.038","","","0.0882","0.1086","","","","","","1.135","","","","has coordinates","227091","2020-10-21","18:00:00",""
"4035643","9.1965","0.0009","10.8969","0.0011","20.4802","0.0019","90","","98.954","0.01","90","","2027.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O3 S2 -","- C22 H18 N2 O3 S2 -","- C88 H72 N8 O12 S8 -","4","1","","Liu, Bei-Bei; Cao, Wen-Bin; Wang, Fei; Wang, Shun-Yi; Ji, Shun-Jun","[4 + 1] Cycloaddition Reaction of α,β-Alkynic Hydrazones and KSCN under Transition-Metal-Free Conditions: Synthesis of N-Iminoisothiazolium Ylides.","The Journal of organic chemistry","2018","83","18","11118","11124","10.1021/acs.joc.8b01725","","","0.71073","MoKα","","0.1509","0.073","","","0.1805","0.2438","","","","","","1.023","","","","has coordinates","227092","2020-10-21","18:00:00",""
"4035644","8.3349","0.0007","11.2541","0.0007","11.5632","0.0008","90.401","0.005","110.25","0.007","103.9","0.006","982.96","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O8 S4 -","- C13 H18 N2 O8 S4 -","- C26 H36 N4 O16 S8 -","2","1","","Zhu, Bo; Li, Fuyuan; Lu, Bohua; Chang, Junbiao; Jiang, Zhiyong","Organocatalytic Enantioselective Vinylogous Aldol Reaction of 5-Alkyl-4-Nitroisoxazoles to Paraformaldehyde.","The Journal of organic chemistry","2018","83","18","11350","11358","10.1021/acs.joc.8b01573","","x-ray","1.54184","CuKα","","0.0515","0.0418","","","0.1123","0.1204","","","","","","1.031","","","","has coordinates","227093","2020-10-21","18:00:00",""
"4035645","9.779","0.007","16.269","0.012","7.242","0.005","90","","109.31","0.02","90","","1087.3","1.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N,N-dimethyl O-(4-chlorobenzyl) thiocarbamate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0595","0.0369","","","0.0791","0.0889","","","","","","1.0346","","","","has coordinates","227094","2020-10-21","18:00:00",""
"4035646","11.91","0.04","4.681","0.013","20.27","0.06","90","","90","","90","","1130","6","293","2","293.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","S-(4-chlorobenzyl) dimethylcarbamothioate","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0451","0.0373","","","0.0799","0.084","","","","","","1.048","","","","has coordinates","227095","2020-10-21","18:00:00",""
"4035647","5.933","0.0003","22.0041","0.0011","7.9392","0.0004","90","","100.687","0.002","90","","1018.49","0.09","122.15","","122.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N O Se -","- C10 H13 N O Se -","- C40 H52 N4 O4 Se4 -","4","1","","Eriksen, Kristina; Ulfkjær, Anne; Sølling, Theis I; Pittelkow, Michael","Benzylic Thio and Seleno Newman-Kwart Rearrangements.","The Journal of organic chemistry","2018","83","18","10786","10797","10.1021/acs.joc.8b01468","","","0.71073","MoKα","","0.0323","0.0247","","","0.0537","0.056","","","","","","1.051","","","","has coordinates","227096","2020-10-21","18:00:00",""
"4035648","6.7378","0.0003","8.7192","0.0004","24.6946","0.0012","90","","90","","90","","1450.76","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","x-ray","0.71073","MoKα","","0.0336","0.0306","","","0.079","0.0808","","","","","","1.065","","","","has coordinates","227097","2020-10-21","18:00:00",""
"4035649","38.954","0.003","5.8456","0.0004","9.0416","0.0006","90","","91.242","0.004","90","","2058.4","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","0.5","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","","0.71073","MoKα","","0.1239","0.0781","","","0.2234","0.338","","","","","","1.277","","","","has coordinates","227098","2020-10-21","18:00:00",""
"4035650","11.1361","0.0007","7.7797","0.0004","30.9551","0.0019","90","","90","","90","","2681.8","0.3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C19 H18 -","- C19 H18 -","- C152 H144 -","8","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0522","0.0411","","","0.0947","0.1114","","","","","","1.077","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035651","11.796","0.003","17.15","0.005","13.523","0.004","90","","110.944","0.007","90","","2555","1.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O6 -","- C31 H34 O6 -","- C124 H136 O24 -","4","1","","Hsueh, Nein-Chen; Lai, Kai-Shang; Chang, Meng-Yang","Stereocontrolled Construction of 1-Vinylindanes via Intramolecular Cyclization of o-Cinnamyl Chalcones.","The Journal of organic chemistry","2018","83","18","11415","11424","10.1021/acs.joc.8b01729","","","0.71073","MoKα","","0.0956","0.0642","","","0.151","0.1677","","","","","","1.126","","","","has coordinates","227099","2020-10-21","18:00:00",""
"4035652","9.1101","0.0003","12.099","0.0004","13.0759","0.0004","95.5755","0.0006","100.893","0.0006","95.2109","0.0007","1399.78","0.08","90","2","90","2","","","","","","","","4","P -1","-P 1","2","NO180","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C56 H80 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0595","0.0585","","","0.155","0.1559","","","","","","1.044","","","","has coordinates,has disorder","227100","2020-10-21","18:00:00",""
"4035653","9.4899","0.0005","10.4443","0.0005","14.7373","0.0007","98.0511","0.0012","102.964","0.0014","93.8281","0.0014","1402.12","0.12","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cl N2 O5 -","- C28 H39 Cl N2 O5 -","- C56 H78 Cl2 N4 O10 -","2","1","","Soeta, Takahiro; Ohashi, Nobuhiko; Kobayashi, Toshiharu; Sakata, Yoko; Suga, Takuya; Ukaji, Yutaka","Synthesis of Sterically Fixed Phytochrome Chromophore Derivatives Bearing a 15 E- Fixed or 15 E- Anti- Fixed CD-Ring Component.","The Journal of organic chemistry","2018","83","18","10743","10748","10.1021/acs.joc.8b01252","","","1.54178","CuKα","","0.0509","0.0496","","","0.1374","0.1387","","","","","","1.082","","","","has coordinates,has disorder","227101","2020-10-21","18:00:00",""
"4035654","6.50908","0.00006","8.4466","0.0001","29.2131","0.0003","90","","90","","90","","1606.12","0.03","99.97","0.15","99.97","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0403","0.0402","","","0.0996","0.0996","","","","","","1.263","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035655","9.82226","0.00011","14.71407","0.00018","30.9505","0.0003","90","","90","","90","","4473.13","0.09","99.97","0.12","99.97","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3.3 H2.79 Cl0.13 N0.13 O0.51 -","- C3.30159 H2.79365 Cl0.125397 N0.126984 O0.507937 -","- C208 H176 Cl7.9 N8 O32 -","63","15.75","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0855","0.0868","","","","","","1.043","","","","has coordinates,has disorder","227103","2020-10-21","18:00:00",""
"4035656","14.8638","0.0003","15.2757","0.0003","38.7031","0.0007","90","","90","","90","","8787.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H66 N2 O7 S Si2 -","- C41 H66 N2 O7 S Si2 -","- C328 H528 N16 O56 S8 Si16 -","8","1","","Huang, Wen-Yu; Nishikawa, Toshio; Nakazaki, Atsuo","Toward a Synthesis of Fawcettimine-Type Lycopodium Alkaloids: Stereocontrolled Synthesis of a Functionalized Azaspirocycle Precursor.","The Journal of organic chemistry","2018","83","18","11108","11117","10.1021/acs.joc.8b01719","","","1.54187","CuKα","","0.0803","0.0638","","","0.17","0.1806","","","","","","1.055","","","","has coordinates,has disorder","227104","2020-10-21","18:00:00",""
"4035657","13.614","0.006","10.485","0.004","11.854","0.005","90","","109.329","0.014","90","","1596.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.0803","0.0464","","","0.1169","0.1518","","","","","","1.063","","","","has coordinates,has disorder","227105","2020-10-21","18:00:00",""
"4035658","6.1212","0.0017","14.764","0.004","22.957","0.006","97.013","0.006","97.345","0.006","100.97","0.006","1997.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O5 -","- C20 H29 N O5 -","- C80 H116 N4 O20 -","4","2","","Kokuev, Aleksandr O.; Antonova, Yulia A.; Dorokhov, Valentin S.; Golovanov, Ivan S.; Nelyubina, Yulia V.; Tabolin, Andrey A.; Sukhorukov, Alexey Yu; Ioffe, Sema L.","Acylation of Nitronates: [3,3]-Sigmatropic Rearrangement of in Situ Generated N-Acyloxy, N-oxyenamines.","The Journal of organic chemistry","2018","83","18","11057","11066","10.1021/acs.joc.8b01652","","","0.71073","MoKα","","0.1276","0.0965","","","0.2894","0.3046","","","","","","1.361","","","","has coordinates","227106","2020-10-21","18:00:00",""
"4035659","13.627","0.006","13.804","0.006","13.675","0.007","90","","91.26","0.02","90","","2572","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N2 -","- C35 H26 N2 -","- C140 H104 N8 -","4","1","","Wang, Yanwei; Li, Bin; Wang, Baiquan","Synthesis of Cinnolines and Cinnolinium Salt Derivatives by Rh(III)-Catalyzed Cascade Oxidative Coupling/Cyclization Reactions.","The Journal of organic chemistry","2018","83","18","10845","10854","10.1021/acs.joc.8b01548","","","0.71073","MoKα","","0.068","0.051","","","0.1166","0.1338","","","","","","1.028","","","","has coordinates","227107","2020-10-21","18:00:00",""
"4035660","20.3423","0.0007","5.7998","0.0002","15.8289","0.0006","90","","109.501","0.002","90","","1760.39","0.11","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 S -","- C21 H15 Cl N2 S -","- C84 H60 Cl4 N8 S4 -","4","1","","Behera, Ahalya; Sau, Prasenjit; Sahoo, Ashish Kumar; Patel, Bhisma K.","Cyano-Sacrificial (Arylthio)arylamination of Quinoline and Isoquinoline N-Oxides Using N-(2-(Arylthio)aryl)cyanamides.","The Journal of organic chemistry","2018","83","18","11218","11231","10.1021/acs.joc.8b01797","","","0.71073","MoKα","","0.0657","0.0437","","","0.1406","0.1635","","","","","","1.087","","","","has coordinates","227108","2020-10-21","18:00:00",""
"4035661","19.9729","0.0004","10.88812","0.00017","9.57079","0.00013","90","","90","","90","","2081.33","0.06","217.98","0.1","217.98","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Liang, Kangjiang; Tong, Xiaogang; Li, Tao; Shi, Bingfei; Wang, Haiyang; Yan, Pengcheng; Xia, Chengfeng","Enantioselective Radical Cyclization of Tryptamines by Visible Light-Excited Nitroxides.","The Journal of organic chemistry","2018","83","18","10948","10958","10.1021/acs.joc.8b01597","","x-ray","1.54184","CuKα","","0.0654","0.0632","","","0.1545","0.1579","","","","","","1.111","","","","has coordinates","227109","2020-10-21","18:00:00",""
"4035662","6.4257","0.0007","8.6814","0.0009","15.9381","0.0016","90","","100.193","0.006","90","","875.06","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C36 H42 Cl2 N4 O6 -","2","1","","Ray, Bidisha; Mukherjee, Santanu","Direct Catalytic Enantioselective Vinylogous Aldol Reaction of Allyl Ketones to Pyrazole-4,5-diones.","The Journal of organic chemistry","2018","83","18","10871","10880","10.1021/acs.joc.8b01566","","","0.71073","MoKα","","0.0313","0.028","","","0.063","0.0649","","","","","","1.023","","","","has coordinates","227110","2020-10-21","18:00:00",""
"4035663","12.502","0.004","10.636","0.003","12.083","0.005","90","","108.882","0.013","90","","1520.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 Cl F N -","- C6 H11 Cl F N -","- C48 H88 Cl8 F8 N8 -","8","2","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0792","0.0414","","","0.0808","0.0966","","","","","","1.016","","","","has coordinates","227111","2020-10-21","18:00:00",""
"4035664","14.266","0.002","7.0245","0.0011","7.9744","0.0013","90","","90","","90","","799.1","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H9 Cl F3 N -","- C6 H9 Cl F3 N -","- C24 H36 Cl4 F12 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0328","0.028","","","0.0631","0.0648","","","","","","1.065","","","","has coordinates","227112","2020-10-21","18:00:00",""
"4035665","7.0766","0.0013","7.9156","0.0014","14.04","0.003","90","","102.906","0.006","90","","766.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Cl F2 N -","- C6 H10 Cl F2 N -","- C24 H40 Cl4 F8 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0374","0.0294","","","0.0687","0.0737","","","","","","1.041","","","","has coordinates","227113","2020-10-21","18:00:00",""
"4035666","6.0902","0.0018","6.5152","0.0017","24.172","0.007","90","","93.433","0.01","90","","957.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl N O2 -","- C8 H14 Cl N O2 -","- C32 H56 Cl4 N4 O8 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.1261","0.0762","","","0.1362","0.1545","","","","","","1.056","","","","has coordinates","227114","2020-10-21","18:00:00",""
"4035667","7.256","0.002","10.418","0.004","10.168","0.003","90","","99.03","0.009","90","","759.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N -","- C7 H10 Cl N -","- C28 H40 Cl4 N4 -","4","1","","Levterov, Vadym V.; Michurin, Oleg; Borysko, Petro O.; Zozulya, Sergey; Sadkova, Iryna V.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","Photochemical In-Flow Synthesis of 2,4-Methanopyrrolidines: Pyrrolidine Analogues with Improved Water Solubility and Reduced Lipophilicity.","The Journal of organic chemistry","2018","83","23","14350","14361","10.1021/acs.joc.8b02071","","","0.71073","MoKα","","0.0528","0.0376","","","0.0822","0.0875","","","","","","1.028","","","","has coordinates","227115","2020-10-21","18:00:00",""
"4035668","8.4886","0.0009","8.9588","0.001","10.1158","0.0011","86.119","0.003","83.374","0.002","71.079","0.003","722.48","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N S2 -","- C18 H13 N S2 -","- C36 H26 N2 S4 -","2","1","","Kao, Tzu-Ting; Peng, Bo-Kai; Liang, Min-Chieh; Lee, Chia-Jui; Chen, I-Chia; Shia, Kak-Shan; Wu, Yen-Ku","Temperature-Controlled Thiation of α-Cyano-β-Alkynyl Carbonyl Derivatives for De Novo Synthesis of 2-Aminothiophenes and Thieno[2,3- c]isothiazoles.","The Journal of organic chemistry","2018","83","23","14688","14697","10.1021/acs.joc.8b01866","","","0.71073","MoKα","","0.04","0.0316","","","0.0818","0.0871","","","","","","1.053","","","","has coordinates","227116","2020-10-21","18:00:00",""
"4035669","13.0589","0.001","13.3601","0.001","15.5839","0.0009","74.38","0.006","85.802","0.006","73.462","0.007","2510.1","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H60 O13 -","- C56 H60 O13 -","- C112 H120 O26 -","2","1","","Brotin, Thierry; Jeanneau, Erwann; Berthault, Patrick; Léonce, Estelle; Pitrat, Delphine; Mulatier, Jean-Christophe","Synthesis of Cryptophane-B: Crystal Structure and Study of Its Complex with Xenon.","The Journal of organic chemistry","2018","83","23","14465","14471","10.1021/acs.joc.8b02246","","","1.5418","CuKα","","0.0868","0.0643","","0.1287","0.1064","0.1287","","","","","","1.0134","","","","has coordinates,has disorder","227117","2020-10-21","18:00:00",""
"4035670","12.5","0.003","16.914","0.003","14.059","0.003","90","","100.76","0.03","90","","2920.2","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 Cl F N O2 -","- C17 H11 Cl F N O2 -","- C136 H88 Cl8 F8 N8 O16 -","8","1","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.063","0.0414","","","0.1135","0.1213","","","","","","1.035","","","","has coordinates","227118","2020-10-21","18:00:00",""
"4035671","9.1673","0.0018","13.916","0.003","14.952","0.003","115.42","0.03","92.81","0.03","96.49","0.03","1701.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 Cl2 N -","- C21 H13 Cl2 N -","- C84 H52 Cl8 N4 -","4","2","","Azizi, Mahboobeh; Nasr-Esfahani, Mahboobeh; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Mirkhani, Valiollah; Tangestaninejad, Shahram; Kia, Reza","Synthesis of Quinolines and Pyrido[3,2- g or 2,3- g]quinolines Catalyzed by Heterogeneous Propylphosphonium Tetrachloroindate Ionic Liquid.","The Journal of organic chemistry","2018","83","23","14743","14750","10.1021/acs.joc.8b02261","","","0.71073","MoKα","","0.1463","0.035","","","0.0756","0.1055","","","","","","0.46","","","","has coordinates","227119","2020-10-21","18:00:00",""
"4035672","10.0575","0.0003","7.5881","0.0003","18.921","0.0006","90","","100.548","0.003","90","","1419.6","0.08","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0465","0.0455","","","0.1165","0.1174","","","","","","1.08","","","","has coordinates,has disorder","227120","2020-10-21","18:00:00",""
"4035673","9.8866","0.0007","7.3687","0.0005","19.7143","0.0013","90","","100.232","0.002","90","","1413.37","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Lopez, Susana S.; Jaworski, Ashley A.; Scheidt, Karl A.","NHC-Catalyzed Formal [2+2] Annulations of Allenoates for the Synthesis of Substituted Oxetanes.","The Journal of organic chemistry","2018","83","23","14637","14645","10.1021/acs.joc.8b02464","","","1.54178","CuKα","","0.0292","0.029","","","0.0708","0.071","","","","","","1.041","","","","has coordinates","227121","2020-10-21","18:00:00",""
"4035674","4.7243","0.0013","10.209","0.003","14.125","0.004","103.821","0.006","92.052","0.006","99.033","0.006","651.4","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","- C30 H24 Br2 N4 O -","1","0.5","","Shi, Shoujie; Xu, Kang; Jiang, Cheng; Ding, Zhenhua","ZnCl<sub>2</sub>-Catalyzed [3 + 2] Cycloaddition of Benzimidates and 2 H-Azirines for the Synthesis of Imidazoles.","The Journal of organic chemistry","2018","83","23","14791","14796","10.1021/acs.joc.8b02437","","","0.71073","MoKα","","0.0706","0.0482","","","0.1383","0.1499","","","","","","1.093","","","","has coordinates,has disorder","227122","2020-10-21","18:00:00",""
"4035675","19.2831","0.0009","14.1684","0.0006","23.4998","0.0011","90","","96.936","0.002","90","","6373.4","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 N4 O6 -","- C32 H26 N4 O6 -","- C256 H208 N32 O48 -","8","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.0987","0.063","","","0.1979","0.2146","","","","","","1.038","","","","has coordinates","227123","2020-10-21","18:00:00",""
"4035676","13.0781","0.0008","16.9366","0.0009","13.9466","0.0007","90","","108.598","0.002","90","","2927.8","0.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N4 O7 -","- C32 H26 N4 O7 -","- C128 H104 N16 O28 -","4","1","","Qian, Siran; Xie, Zengyang; Liu, Jiaming; Li, Mingshuang; Wang, Shan; Luo, Naili; Wang, Cunde","DBU-Promoted Cascade Annulation of Nitroarylcyclopropane-1,1-dicarbonitriles and 3-Aryl-2-cyanoacrylates: An Access to Highly Functionalized Cyclopenta[ b]furan Derivatives.","The Journal of organic chemistry","2018","83","23","14768","14776","10.1021/acs.joc.8b02325","","","0.71073","MoKα","","0.134","0.0678","","","0.1594","0.1901","","","","","","1.036","","","","has coordinates","227124","2020-10-21","18:00:00",""
"4035677","16.2248","0.0016","21.607","0.002","8.7927","0.0008","90","","90","","90","","3082.5","0.5","143","1","143","1","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C144 H176 O16 -","8","2","","Kang, Houng; Herling, Madison R.; Niederer, Kyle A.; Lee, Young Eun; Vasu Govardhana Reddy, Peddiahgari; Dey, Sangeeta; Allen, Scott E.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Kim, Gina J.; Kozlowski, Marisa C.","Enantioselective Vanadium-Catalyzed Oxidative Coupling: Development and Mechanistic Insights.","The Journal of organic chemistry","2018","83","23","14362","14384","10.1021/acs.joc.8b02083","","","1.54178","CuKα","","0.031","0.0301","","","0.0829","0.0838","","","","","","1.027","","","","has coordinates","227125","2020-10-21","18:00:00",""
"4035678","9.475","0.002","10.144","0.002","13.66","0.003","98.118","0.003","91.348","0.003","100.871","0.003","1274.7","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O5 S2 -","- C27 H28 N2 O5 S2 -","- C54 H56 N4 O10 S4 -","2","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","0.71073","MoKα","","0.0892","0.0508","","","0.1031","0.1223","","","","","","1.015","","","","has coordinates","227126","2020-10-21","18:00:00",""
"4035679","32.963","0.003","8.7052","0.0009","15.5575","0.0015","90","","114.78","0.003","90","","4053.2","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","u180316mor1","","","- C22 H20 N2 O4 S2 -","- C22 H20 N2 O4 S2 -","- C176 H160 N16 O32 S16 -","8","1","","Watanabe, Kazuhiro; Moriyama, Katsuhiko","Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.","The Journal of organic chemistry","2018","83","23","14827","14833","10.1021/acs.joc.8b02676","","","1.54178","CuKα","","0.0352","0.0343","","","0.094","0.0951","","","","","","1.067","","","","has coordinates","227127","2020-10-21","18:00:00",""
"4035680","5.581","0.0004","18.9438","0.0014","9.1233","0.0007","90","","93.554","0.005","90","","962.71","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C48 H36 Cl2 N2 O6 -","2","1","","Balha, Megha; Pan, Subhas Chandra","Organocatalytic Asymmetric Synthesis of Bridged Acetals with Spirooxindole Skeleton.","The Journal of organic chemistry","2018","83","23","14703","14712","10.1021/acs.joc.8b02156","","","0.71073","MoKα","","0.0353","0.031","","","0.0561","0.0573","","","","","","1.143","","","","has coordinates","227128","2020-10-21","18:00:00",""
"4035681","19.8813","0.0007","8.7695","0.0003","23.6954","0.0008","90","","112.551","0.0018","90","","3815.4","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 N O5 S Si -","- C35 H57 N O5 S Si -","- C140 H228 N4 O20 S4 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1741","0.0833","","","0.2348","0.2747","","","","","","1.067","","","","has coordinates,has disorder","227129","2020-10-21","18:00:00",""
"4035682","8.0101","0.0006","8.1359","0.0007","33.077","0.002","90","","96.127","0.004","90","","2143.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C72 H136 O20 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1686","0.1221","","","0.3039","0.3319","","","","","","1.029","","","","has coordinates,has disorder","227130","2020-10-21","18:00:00",""
"4035683","11.2358","0.0004","12.6433","0.0004","22.2439","0.0007","103.677","0.002","95.436","0.002","97.749","0.002","3015.85","0.18","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H47 N O5 S Si -","- C27 H47 N O5 S Si -","- C108 H188 N4 O20 S4 Si4 -","4","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1635","0.0602","","","0.133","0.1579","","","","","","1.061","","","","has coordinates,has disorder","227131","2020-10-21","18:00:00",""
"4035684","19.206","0.003","11.2062","0.0016","10.5976","0.0015","90","","92.178","0.008","90","","2279.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 O3 Si -","- C22 H36 O3 Si -","- C88 H144 O12 Si4 -","4","1","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.0852","0.0689","","","0.2031","0.2276","","","","","","1.026","","","","has coordinates","227132","2020-10-21","18:00:00",""
"4035685","32.4209","0.0009","8.0512","0.0003","16.2619","0.0005","90","","90.2238","0.0019","90","","4244.8","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H34 O5 Si -","- C18 H34 O5 Si -","- C144 H272 O40 Si8 -","8","2","","Plata, Paulina; Klimczak, Urszula; Zambroń, Bartosz K","Acyclic Remote 1,5- and 1,4,5-Stereocontrol in the Catalytic Stereoselective Reactions of β-Lactams with Aldehydes: The Effect of the N-Methylimidazole Ligand.","The Journal of organic chemistry","2018","83","23","14527","14552","10.1021/acs.joc.8b02333","","","1.54178","CuKα","","0.1223","0.0646","","","0.172","0.2191","","","","","","1.01","","","","has coordinates","227133","2020-10-21","18:00:00",""
"4035686","12.391","0.004","9.664","0.004","19.857","0.007","90","","107.03","0.005","90","","2273.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Br N4 O6 -","- C19 H21 Br N4 O6 -","- C76 H84 Br4 N16 O24 -","4","1","","Xia, Xuejian; Zhu, Qiongqiong; Wang, Jing; Chen, Jie; Cao, Weiguo; Zhu, Bo; Wu, Xiaoyu","Direct Asymmetric Vinylogous Mannich Addition of 3,5-Disubstituted-4-nitroisoxazoles to Isatin-Derived Imines Catalyzed by a Bifunctional Phase-Transfer-Catalyst.","The Journal of organic chemistry","2018","83","23","14617","14625","10.1021/acs.joc.8b02439","","","0.71073","MoKα","","0.0747","0.0388","","","0.0899","0.1025","","","","","","1.025","","","","has coordinates","227134","2020-10-21","18:00:00",""
"4035687","10.8985","0.0005","6.7166","0.0004","11.0406","0.0005","90","","90.531","0.003","90","","808.15","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C34 H38 N2 O10 -","2","1","","Hirasawa, Shun; Mukai, Ken; Sakai, Shinnosuke; Wakamori, Shinnosuke; Hasegawa, Takahiro; Souma, Kazunori; Kanomata, Nobuhiro; Ogawa, Narihito; Aizawa, Mamoru; Emoto, Makoto","Elucidation of Racemization Process of Azaspirene Skeleton in Neutral Aqueous Media.","The Journal of organic chemistry","2018","83","23","14457","14464","10.1021/acs.joc.8b02223","","","1.54187","CuKα","","","0.0465","","","","0.1369","","","","","","1.232","","","","has coordinates","227135","2020-10-21","18:00:00",""
"4035688","11.0445","0.0003","5.4776","0.0001","15.3754","0.0005","90","","100.641","0.002","90","","914.18","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.029","0.027","","","0.0671","0.0685","","","","","","1.063","","","","has coordinates","227136","2020-10-21","18:00:00",""
"4035689","9.7701","0.0019","5.8703","0.0011","20.14","0.004","90","","100.672","0.005","90","","1135.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Szostak, Roman; Liu, Chengwei; Lalancette, Roger; Szostak, Michal","Twisted N-Acyl-hydantoins: Rotationally Inverted Urea-Imides of Relevance in N-C(O) Cross-coupling.","The Journal of organic chemistry","2018","83","23","14676","14682","10.1021/acs.joc.8b02691","","","1.54178","CuKα","","0.0695","0.0532","","","0.1301","0.139","","","","","","1.043","","","","has coordinates","227137","2020-10-21","18:00:00",""
"4035690","7.3373","0.0007","10.0709","0.0008","17.0758","0.0016","90","","90","","90","","1261.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F N O2 S -","- C12 H16 F N O2 S -","- C48 H64 F4 N4 O8 S4 -","4","1","","Huang, Wei; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Fluorination of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","23","14777","14785","10.1021/acs.joc.8b02375","","x-ray","0.71073","MoKα","","0.0399","0.0363","","","0.0783","0.0803","","","","","","1.013","","","","has coordinates","227138","2020-10-21","18:00:00",""
"4035691","5.751","0.0016","7.1296","0.0016","17.125","0.004","78.696","0.019","87.63","0.02","81.59","0.02","681.1","0.3","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C30 H26 F4 N2 O8 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0922","0.0553","","","0.1041","0.128","","","","","","1.034","","","","has coordinates","227139","2020-10-21","18:00:00",""
"4035692","5.7929","0.0011","10.1326","0.0013","13.119","0.003","92.577","0.013","94.129","0.016","93.294","0.013","765.8","0.2","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 F2 N O5 -","- C13 H19 F2 N O5 -","- C26 H38 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.063","0.0477","","","0.1078","0.1212","","","","","","1.042","","","","has coordinates","227140","2020-10-21","18:00:00",""
"4035693","12.1264","0.0007","12.1086","0.0004","13.6351","0.0009","90","","111.794","0.007","90","","1859","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F2 N O5 -","- C19 H25 F2 N O5 -","- C76 H100 F8 N4 O20 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","0.71073","MoKα","","0.0657","0.0462","","","0.1022","0.1154","","","","","","1.061","","","","has coordinates","227141","2020-10-21","18:00:00",""
"4035694","17.5468","0.0008","10.6086","0.0005","16.1722","0.0007","90","","105.657","0.002","90","","2898.7","0.2","150","2","150.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F4 O4 -","- C36 H30 F4 O4 -","- C144 H120 F16 O16 -","4","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","","1.54178","CuKα","","0.0549","0.0505","","","0.1311","0.1352","","","","","","1.029","","","","has coordinates","227142","2020-10-21","18:00:00",""
"4035695","5.368","0.0006","8.8589","0.0009","15.7536","0.0014","74.167","0.008","81.776","0.009","84.811","0.009","712.28","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 F2 N O5 -","- C12 H17 F2 N O5 -","- C24 H34 F4 N2 O10 -","2","1","","Wang, Qiang; Jin, Jia-Ni; Chen, Xi; Wang, Xin-Gang; Zhang, Bo-Sheng; Ma, Jun-Wei; Liang, Yong-Min","Synthesis of Difluoroalkyl Unsaturated β-Amino Acid Derivatives Exclusively through Alkyne Difunctionalization.","The Journal of organic chemistry","2018","83","23","14626","14636","10.1021/acs.joc.8b02440","","x-ray","1.54184","CuKα","","0.0921","0.076","","","0.2293","0.2588","","","","","","1.084","","","","has coordinates","227143","2020-10-21","18:00:00",""
"4035696","16.2255","0.0005","16.4626","0.0005","17.2473","0.0005","115.368","0.002","105.172","0.002","95.372","0.002","3904.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C84 H69 O15 P3 -","- C84 H69 O15 P3 -","- C168 H138 O30 P6 -","2","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.1363","0.1032","","","0.2197","0.2423","","","","","","1.075","","","","has coordinates,has disorder","227144","2020-10-21","18:00:00",""
"4035697","11.5614","0.0005","12.8155","0.0006","16.0415","0.0007","87.862","0.003","76.7","0.003","79.546","0.003","2274.62","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","2","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0982","0.0658","","","0.1722","0.1943","","","","","","1.048","","","","has coordinates","227145","2020-10-21","18:00:00",""
"4035698","14.7321","0.0005","14.9419","0.0005","15.1685","0.0005","62.715","0.001","61.024","0.001","84.505","0.001","2561.52","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H49 Cl3 O10 P2 -","- C59 H49 Cl3 O10 P2 -","- C118 H98 Cl6 O20 P4 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","1.54178","CuKα","","0.0462","0.0403","","","0.0964","0.1002","","","","","","1.029","","","","has coordinates,has disorder","227146","2020-10-21","18:00:00",""
"4035699","11.105","0.0008","11.4637","0.0008","11.6332","0.0008","68.869","0.003","68.313","0.003","64.712","0.003","1207.52","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C64 H52 O8 -","2","1","","Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen","Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.","The Journal of organic chemistry","2018","83","23","14568","14587","10.1021/acs.joc.8b02353","","","0.71073","MoKα","","0.056","0.0488","","","0.1371","0.1463","","","","","","1.023","","","","has coordinates","227147","2020-10-21","18:00:00",""
"4035700","25.3837","0.0015","23.3917","0.0009","19.2584","0.0016","90","","112.258","0.008","90","","10583","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H39 F5 N2 S2 -","- C51 H39 F5 N2 S2 -","- C408 H312 F40 N16 S16 -","8","1","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Dibenzidecaphyrins (1.0.0.1.1.1.0.0.1.1) and Their Bis-BF<sub>2</sub> Complexes.","The Journal of organic chemistry","2018","83","23","14277","14285","10.1021/acs.joc.8b01812","","","1.54184","CuKα","","0.1592","0.0947","","","0.2512","0.3119","","","","","","1.008","","","","has coordinates","227149","2020-10-21","18:00:00",""
"4035701","39.031","0.006","5.648","0.0009","23.048","0.004","90","","91.195","0.003","90","","5079.8","1.4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","131129mis1","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C248 H208 N32 O56 -","8","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","0.71073","MoKα","","0.1604","0.1419","","","0.3482","0.3646","","","","","","1.49","","","","has coordinates","227150","2020-10-21","18:00:00",""
"4035702","9.4411","0.0005","13.9132","0.0007","20.7293","0.001","95.928","0.003","97.099","0.003","93.724","0.003","2679.2","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O7 -","- C31 H26 N4 O7 -","- C124 H104 N16 O28 -","4","2","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0684","0.0533","","","0.1491","0.1608","","","","","","1.058","","","","has coordinates","227151","2020-10-21","18:00:00",""
"4035703","19.0264","0.0006","10.9646","0.0004","15.906","0.0004","90","","101.399","0.002","90","","3252.81","0.18","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1b","","","- C35 H34 N4 O7 -","- C33.476 H30.444 N4 O7 -","- C133.904 H121.776 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0759","0.0486","","","0.1243","0.1414","","","","","","1.031","","","","has coordinates,has disorder","227152","2020-10-21","18:00:00",""
"4035704","19.2513","0.0008","11.5028","0.0005","15.544","0.0007","90","","106.146","0.003","90","","3306.4","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 Cl N4 O7 -","- C37 H31 Cl N4 O7 -","- C148 H124 Cl4 N16 O28 -","4","1","","Urushibara, Ko; Masu, Hyuma; Mori, Hirotoshi; Azumaya, Isao; Hirano, Tomoya; Kagechika, Hiroyuki; Tanatani, Aya","Synthesis and Conformational Analysis of Alternately N-Alkylated Aromatic Amide Oligomers.","The Journal of organic chemistry","2018","83","23","14338","14349","10.1021/acs.joc.8b02045","","","1.54178","CuKα","","0.0755","0.0478","","","0.121","0.1352","","","","","","1.025","","","","has coordinates","227153","2020-10-21","18:00:00",""
"4035705","9.1003","0.0001","18.7035","0.0002","20.7543","0.0002","90","","90","","90","","3532.54","0.06","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Sun, Kai; Chen, Xiao-Lan; Li, Shi-Jun; Wei, Dong-Hui; Liu, Xiao-Ceng; Zhang, Yin-Li; Liu, Yan; Fan, Lu-Lu; Qu, Ling-Bo; Yu, Bing; Li, Kai; Sun, Yuan-Qiang; Zhao, Yu-Fen","Copper-Catalyzed Radical Cascade Cyclization To Access 3-Sulfonated Indenones with the AIE Phenomenon.","The Journal of organic chemistry","2018","83","23","14419","14430","10.1021/acs.joc.8b02175","","x-ray","1.54184","CuKα","","0.0353","0.0329","","","0.0888","0.0904","","","","","","1.068","","","","has coordinates","227154","2020-10-21","18:00:00",""
"4035706","18.775","0.007","10.002","0.004","31.332","0.012","90","","90","","90","","5884","4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C272 H256 O48 -","16","2","","Zeng, Linwei; Lai, Zhencheng; Cui, Sunliang","One-Pot Reaction of Carboxylic Acids and Ynol Ethers for The Synthesis of β-Keto Esters.","The Journal of organic chemistry","2018","83","23","14834","14841","10.1021/acs.joc.8b02715","","","0.71073","MoKα","","0.3378","0.0896","","","0.2041","0.3219","","","","","","0.933","","","","has coordinates","227155","2020-10-21","18:00:00",""
"4035707","8.2785","0.0008","8.9957","0.0009","26.839","0.003","90","","90","","90","","1998.7","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O3 Si -","- C20 H22 Br N O3 Si -","- C80 H88 Br4 N4 O12 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","NHC-Copper-Catalyzed Asymmetric Dearomative Silylation of Indoles.","The Journal of organic chemistry","2018","83","23","14758","14767","10.1021/acs.joc.8b02308","","","0.71073","MoKα","","0.0519","0.0305","","","0.0561","0.0658","","","","","","0.998","","","","has coordinates","227156","2020-10-21","18:00:00",""
"4035708","24.1507","0.0018","12.2214","0.0009","7.8434","0.0006","90","","90","","90","","2315","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C29 H26 B F2 N3 -","- C29 H26 B F2 N3 -","- C116 H104 B4 F8 N12 -","4","1","","Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles","Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.","The Journal of organic chemistry","2018","83","23","14406","14418","10.1021/acs.joc.8b01948","","","0.71075","MoKα","","0.0428","0.0383","","","0.0924","0.0966","","","","","","1.054","","","","has coordinates","227157","2020-10-21","18:00:00",""
"4035709","10.916","0.0011","14.1012","0.0014","16.5017","0.0017","90","","90","","90","","2540.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F N2 O2 S -","- C31 H27 F N2 O2 S -","- C124 H108 F4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.113","0.0611","","","0.1069","0.1289","","","","","","1.065","","","","has coordinates","227158","2020-10-21","18:00:00",""
"4035710","9.7286","0.0005","17.3772","0.0008","17.4481","0.0008","101.616","0.001","90.589","0.001","102.62","0.001","2814.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H27 Br Cl N3 O4 S -","- C31.5 H27 Br Cl N3 O4 S -","- C126 H108 Br4 Cl4 N12 O16 S4 -","4","2","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.1192","0.0608","","","0.1271","0.1476","","","","","","1.018","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4035711","9.4268","0.0007","11.8262","0.0009","13.4376","0.001","106.439","0.002","106.993","0.002","94.519","0.002","1352.63","0.18","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H31 N3 O4 S -","- C30 H31 N3 O4 S -","- C60 H62 N6 O8 S2 -","2","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.07","0.0471","","","0.1125","0.1263","","","","","","1.033","","","","has coordinates","227160","2020-10-21","18:00:00",""
"4035712","9.7941","0.0005","10.1973","0.0005","10.1976","0.0005","68.884","0.001","89.368","0.002","85.706","0.001","947.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","- C48 H40 N4 O6 -","1","0.5","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.0564","0.042","","","0.0967","0.1043","","","","","","1.056","","","","has coordinates","227161","2020-10-21","18:00:00",""
"4035713","13.885","0.003","14.002","0.003","14.446","0.003","86.624","0.004","89.65","0.005","87.08","0.004","2800","1","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Br2 N4 O8 S4 -","- C24 H18 Br2 N4 O8 S4 -","- C96 H72 Br8 N16 O32 S16 -","4","2","","Ashida, Shiomi; Tanaka, Naoki; Ito, Yukiko; Matsuoka, Mitsuru; Hashimoto, Takayoshi; Okano, Kentaro; Miyazaki, Yuji; Kobayashi, Tohru; Yaita, Tsuyoshi; Mori, Atsunori","Nosyl (2-Nitrobenzenesulfonyl) Annulation Strategy toward Winding Vine-Shaped Bithiophenes.","The Journal of organic chemistry","2018","83","23","14797","14801","10.1021/acs.joc.8b02382","","","0.71075","MoKα","","","0.1166","","","","0.266","","","","","","1.19","","","","has coordinates","227162","2020-10-21","18:00:00",""
"4035714","7.7479","0.0006","25.908","0.002","10.202","0.0007","90","","103.259","0.002","90","","1993.3","0.3","120","","120","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","2,8-Bis(phenoxazin-10-yl)dibenzothiophene-S,S-dioxide, deuterochloroform trisolvate","","- C39 H22 Cl9 D3 N2 O4 S -","- C39 H22 Cl9 D3 N2 O4 S -","- C78 H44 Cl18 D6 N4 O8 S2 -","2","0.5","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0596","0.0466","","","0.1107","0.1195","","","","","","1.032","","","","has coordinates,has disorder","227163","2020-10-21","18:00:00",""
"4035715","10.4124","0.0005","12.8726","0.0006","12.8871","0.0006","113.293","0.0017","105.355","0.0018","103.086","0.0018","1418.97","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,8-Bis(1-methyl-phenoxazin-10-yl)dibenzothiophene-S,S-dioxide","","- C38 H26 N2 O4 S -","- C38 H26 N2 O4 S -","- C76 H52 N4 O8 S2 -","2","1","","Ward, Jonathan S.; Nobuyasu, Roberto S.; Fox, Mark A.; Batsanov, Andrei S.; Santos, Jose; Dias, Fernando B.; Bryce, Martin R.","Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.","The Journal of organic chemistry","2018","83","23","14431","14442","10.1021/acs.joc.8b02187","","x-ray","0.71073","MoKα","","0.0734","0.0466","","","0.1048","0.1154","","","","","","1.018","","","","has coordinates","227163","2020-10-21","18:00:00",""
"4035716","7.524","0.006","8.604","0.007","10.117","0.009","78.717","0.013","80.118","0.013","84.188","0.013","631.2","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 F N4 O -","- C15 H11 F N4 O -","- C30 H22 F2 N8 O2 -","2","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0849","0.0534","","","0.1548","0.181","","","","","","0.996","","","","has coordinates","227164","2020-10-21","18:00:00",""
"4035717","8.062","0.0013","19.221","0.003","11.3185","0.0018","90","","101.069","0.003","90","","1721.3","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O3 S -","- C18 H16 N4 O3 S -","- C72 H64 N16 O12 S4 -","4","1","","Xu, Cheng; Jiang, Shi-Fen; Wu, Yan-Dong; Jia, Feng-Cheng; Wu, An-Xin","Copper-Catalyzed Multicomponent Domino Reaction of 2-Bromobenzaldehydes, Aryl Methyl Ketones, and Sodium Azide: Access to 1 H-[1,2,3]Triazolo[4,5- c]quinoline Derivatives.","The Journal of organic chemistry","2018","83","23","14802","14810","10.1021/acs.joc.8b02476","","","0.71073","MoKα","","0.0962","0.0481","","","0.1331","0.1622","","","","","","1.005","","","","has coordinates,has disorder","227165","2020-10-21","18:00:00",""
"4035718","11.9046","0.0017","12.6632","0.0018","18.593","0.003","90","","90","","90","","2802.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C120 H144 N8 O12 S4 -","4","1","","Shen, Xianfu; Zhao, Jingfeng; Xi, Yongkai; Chen, Wen; Zhou, Yongyun; Yang, Xiaodong; Zhang, Hongbin","Enantioselective Total Synthesis of (+)-Nocardioazine B.","The Journal of organic chemistry","2018","83","23","14507","14517","10.1021/acs.joc.8b02329","","","0.71073","MoKα","","0.0426","0.0345","","","0.082","0.0862","","","","","","1.024","","","","has coordinates","227166","2020-10-21","18:00:00",""
"4035719","7.5067","0.0019","12.18","0.003","16.789","0.004","82.413","0.003","77.103","0.003","75.947","0.003","1446.6","0.6","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N4 O4 S2 -","- C32 H24 N4 O4 S2 -","- C64 H48 N8 O8 S4 -","2","1","","Wen, Hao; Cao, Wei; Liu, Yu; Wang, Liang; Chen, Ping; Tang, Yu","Metal-Free [2 + 2 + 2] Cycloaddition of Ynamide-Nitriles with Ynamides: A Highly Regio- and Chemoselective Synthesis of δ-Carboline Derivatives.","The Journal of organic chemistry","2018","83","21","13308","13324","10.1021/acs.joc.8b02112","","","0.71073","MoKα","","0.0707","0.0449","","","0.0983","0.1101","","","","","","1.005","","","","has coordinates","227167","2020-10-21","18:00:00",""
"4035720","10.0296","0.0018","13.277","0.002","14.687","0.003","64.959","0.002","81.93","0.002","89.212","0.002","1752.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C84 H80 N8 O4 -","4","2","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Selective Synthesis of Aminoisoquinolines via Rh(III)-Catalyzed C-H/N-H Bond Functionalization of N-Aryl Amidines with Cyclic 2-Diazo-1,3-diketones.","The Journal of organic chemistry","2018","83","21","13463","13472","10.1021/acs.joc.8b02286","","","0.71073","MoKα","","0.1027","0.059","","","0.1519","0.1812","","","","","","1.023","","","","has coordinates","227168","2020-10-21","18:00:00",""
"4035721","14.1476","0.0004","8.5323","0.0003","16.5469","0.0005","90","","105.099","0.0011","90","","1928.45","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0509","0.0451","","","0.1251","0.1324","","","","","","1.05","","","","has coordinates","227169","2020-10-21","18:00:00",""
"4035722","8.9486","0.0004","20.9444","0.0009","9.7258","0.0004","90","","108.262","0.0015","90","","1731.03","0.13","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C96 H72 N8 -","4","1","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.052","0.0406","","","0.1097","0.1195","","","","","","1.044","","","","has coordinates","227170","2020-10-21","18:00:00",""
"4035723","12.8096","0.0009","9.378","0.0007","17.6402","0.0012","90","","104.625","0.002","90","","2050.4","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 F6 N2 -","- C26 H16 F6 N2 -","- C104 H64 F24 N8 -","4","0.5","","Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban","Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations.","The Journal of organic chemistry","2018","83","21","13481","13490","10.1021/acs.joc.8b02345","","","0.71073","MoKα","","0.0514","0.0469","","","0.131","0.1368","","","","","","1.028","","","","has coordinates","227171","2020-10-21","18:00:00",""
"4035724","13.4563","0.0003","11.6667","0.0002","9.5707","0.0002","90","","108.431","0.002","90","","1425.44","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ahmad, Tanveer; Qiu, Sheng-Qi; Xu, Yun-He; Loh, Teck-Peng","Palladium-Catalyzed One-Pot Highly Regioselective 6- Endo Cyclization and Alkylation of Enynoates: Synthesis of 2-Alkanone Pyrones.","The Journal of organic chemistry","2018","83","21","13414","13426","10.1021/acs.joc.8b02198","","","1.54184","CuKα","","0.0494","0.0424","","","0.1194","0.1257","","","","","","1.068","","","","has coordinates","227172","2020-10-21","18:00:00",""
"4035725","9.66","0.003","9.728","0.002","10.133","0.002","114.581","0.012","115.678","0.013","92.034","0.015","752.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem314_0m_a","","","- C16 H13 F3 N2 O2 -","- C16 H13 F3 N2 O2 -","- C32 H26 F6 N4 O4 -","2","1","","Ghosh, Payel; Mondal, Susmita; Hajra, Alakananda","Metal-Free Trifluoromethylation of Indazoles.","The Journal of organic chemistry","2018","83","21","13618","13623","10.1021/acs.joc.8b02312","","","0.71073","MoKα","","0.1169","0.0703","","","0.1868","0.2451","","","","","","1.096","","","","has coordinates","227173","2020-10-21","18:00:00",""
"4035726","10.3382","0.0004","15.8744","0.0006","30.8331","0.0012","90","","96.297","0.001","90","","5029.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 B N2 O2 -","- C32 H23 B N2 O2 -","- C256 H184 B8 N16 O16 -","8","2","","Qiu, Feng; Zhang, Ning; Tang, Ruizhi; Zhou, Mingan; Wang, Yao; Wei, Weiwei; Bi, Shuai; Han, Sheng; Zhang, Fan","Asymmetric Boron-Cored Aggregation-Induced Emission Luminogen with Multiple Functions Synthesized through Stepwise Conversion from a Symmetric Ligand.","The Journal of organic chemistry","2018","83","21","12977","12984","10.1021/acs.joc.8b01340","","","0.71073","MoKα","","0.1541","0.0602","","","0.1368","0.1883","","","","","","1.001","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4035727","6.148","0.0003","9.3553","0.0007","21.4639","0.0014","97.508","0.006","91.047","0.005","93.474","0.005","1221.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Br N2 O6 -","- C27 H25 Br N2 O6 -","- C54 H50 Br2 N4 O12 -","2","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.0544","0.0437","","","0.111","0.1208","","","","","","1.037","","","","has coordinates","227175","2020-10-21","18:00:00",""
"4035728","14.6471","0.0003","9.827","0.0002","19.3981","0.0003","90","","104.564","0.002","90","","2702.39","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Br N2 O7 -","- C29 H29 Br N2 O7 -","- C116 H116 Br4 N8 O28 -","4","1","","Zhang, Xiaofeng; Qiu, Weiqi; Ma, Xiaoming; Evans, Jason; Kaur, Manpreet; Jasinski, Jerry P.; Zhang, Wei","One-Pot Double [3 + 2] Cycloadditions for Diastereoselective Synthesis of Pyrrolidine-Based Polycyclic Systems.","The Journal of organic chemistry","2018","83","21","13536","13542","10.1021/acs.joc.8b02046","","x-ray","1.54184","CuKα","","0.049","0.0404","","","0.1029","0.1098","","","","","","1.032","","","","has coordinates","227176","2020-10-21","18:00:00",""
"4035729","12.033","0.001","6.0968","0.0004","19.8777","0.0015","90","","100.626","0.006","90","","1433.28","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0945","0.0636","","","0.1545","0.1771","","","","","","0.964","","","","has coordinates","227177","2020-10-21","18:00:00",""
"4035730","7.852","0.0009","8.2413","0.001","9.9554","0.001","105.429","0.009","98.805","0.009","111.433","0.009","555.12","0.13","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C26 H16 Cl2 N6 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0998","0.0519","","","0.128","0.1505","","","","","","0.866","","","","has coordinates","227178","2020-10-21","18:00:00",""
"4035731","6.077","0.0012","5.3497","0.0011","18.327","0.004","90","","91.47","0.03","90","","595.6","0.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H9 N3 O3 -","- C14 H9 N3 O3 -","- C28 H18 N6 O6 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1167","0.0628","","","0.1516","0.1871","","","","","","1.01","","","","has coordinates","227179","2020-10-21","18:00:00",""
"4035732","9.6161","0.0019","9.1313","0.0018","12.11","0.002","90","","98.97","0.03","90","","1050.3","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl N2 O2 -","- C11 H9 Cl N2 O2 -","- C44 H36 Cl4 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1312","0.0508","","","0.1124","0.1508","","","","","","1.005","","","","has coordinates","227180","2020-10-21","18:00:00",""
"4035733","6.565","0.0006","7.459","0.0007","12.7782","0.0013","76.752","0.008","85.465","0.007","84.582","0.007","605.29","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H5 F5 N2 O -","- C14 H5 F5 N2 O -","- C28 H10 F10 N4 O2 -","2","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0958","0.0611","","","0.1411","0.1564","","","","","","1.105","","","","has coordinates","227181","2020-10-21","18:00:00",""
"4035734","15.118","0.0013","4.9468","0.0003","19.2855","0.0016","90","","104.553","0.007","90","","1396.01","0.19","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0942","0.0451","","","0.1007","0.1189","","","","","","0.912","","","","has coordinates","227182","2020-10-21","18:00:00",""
"4035735","6.578","0.0013","7.3496","0.0015","19.89","0.004","96.85","0.03","97.83","0.03","99.42","0.03","929.9","0.4","170","2","170","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H23 Cl N2 O2 -","- C22 H23 Cl N2 O2 -","- C44 H46 Cl2 N4 O4 -","2","2","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.1432","0.0621","","","0.1313","0.1688","","","","","","0.932","","","","has coordinates","227183","2020-10-21","18:00:00",""
"4035736","5.301","0.0004","9.2387","0.0005","24.657","0.002","90","","90.116","0.006","90","","1207.56","0.15","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Bhilare, Shatrughn; Murthy Bandaru, Siva Sankar; Shah, Jagrut; Chrysochos, Nicolas; Schulzke, Carola; Sanghvi, Yogesh S.; Kapdi, Anant R.","Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes.","The Journal of organic chemistry","2018","83","21","13088","13102","10.1021/acs.joc.8b01840","","","0.71073","MoKα","","0.0603","0.042","","","0.11","0.1258","","","","","","1.033","","","","has coordinates","227184","2020-10-21","18:00:00",""
"4035737","12.1285","0.0009","12.3249","0.0011","10.0239","0.0008","90","","108.372","0.004","90","","1422","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0765","0.0404","","","0.0747","0.0862","","","","","","0.988","","","","has coordinates","227185","2020-10-21","18:00:00",""
"4035738","13.7083","0.0011","12.3985","0.0009","9.9543","0.0009","90","","106.045","0.004","90","","1625.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Br Cl N O2 -","- C16 H13 Br Cl N O2 -","- C64 H52 Br4 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2673","0.0573","","","0.1208","0.186","","","","","","0.888","","","","has coordinates","227186","2020-10-21","18:00:00",""
"4035739","9.164","0.002","10.361","0.003","10.743","0.003","72.38","0.003","79.695","0.003","89.502","0.003","955.4","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cl N2 O4 -","- C22 H17 Cl N2 O4 -","- C44 H34 Cl2 N4 O8 -","2","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0593","0.0433","","","0.0925","0.1","","","","","","0.933","","","","has coordinates","227187","2020-10-21","18:00:00",""
"4035740","12.1146","0.0016","12.3208","0.0018","10.0165","0.0011","90","","108.32","0.006","90","","1419.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.089","0.0496","","","0.0848","0.097","","","","","","0.953","","","","has coordinates","227188","2020-10-21","18:00:00",""
"4035741","9.868","0.003","12.526","0.003","24.997","0.007","90","","97.218","0.003","90","","3065.3","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl2 N O2 -","- C16 H13 Cl2 N O2 -","- C128 H104 Cl16 N8 O16 -","8","2","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.0693","0.0443","","","0.0956","0.1054","","","","","","1.009","","","","has coordinates","227189","2020-10-21","18:00:00",""
"4035742","5.445","0.01","19.36","0.03","20.96","0.04","90","","92.27","0.03","90","","2208","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Mamedov, Vakhid A.; Mamedova, Vera L.; Kadyrova, Saniya F.; Galimullina, Venera R.; Khikmatova, Gul'naz Z.; Korshin, Dmitry E.; Gubaidullin, Aidar T.; Krivolapov, Dmitry B.; Rizvanov, Il'dar Kh; Bazanova, Olga B.; Sinyashin, Oleg G.; Latypov, Shamil K.","Synthesis of 3-Hydroxy-4-arylquinolin-2-ones Including Viridicatol via a Darzens Condensation/Friedel-Crafts Alkylation Strategy.","The Journal of organic chemistry","2018","83","21","13132","13145","10.1021/acs.joc.8b01871","","","0.71073","MoKα","","0.2407","0.0739","","","0.1778","0.2603","","","","","","0.945","","","","has coordinates","227190","2020-10-21","18:00:00",""
"4035743","10.0281","0.0003","13.8303","0.0003","14.9525","0.0003","90","","90","","90","","2073.79","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0586","0.046","","","0.1059","0.1164","","","","","","1.018","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035744","32.892","0.003","10.8432","0.0006","12.7644","0.0007","90","","100.51","0.008","90","","4476.1","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C208 H288 O40 -","8","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0544","0.0419","","","0.1026","0.1115","","","","","","1.04","","","","has coordinates,has disorder","227191","2020-10-21","18:00:00",""
"4035745","8.8319","0.0004","10.1843","0.0005","12.079","0.0006","94.713","0.004","102.968","0.004","114.675","0.005","942.92","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0572","0.0431","","","0.1079","0.1192","","","","","","1.025","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035746","11.7913","0.0008","12.8318","0.0008","14.313","0.0004","84.236","0.003","83.69","0.004","64.991","0.006","1947.2","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0736","0.035","","","0.0713","0.076","","","","","","0.853","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035747","11.9049","0.0008","13.0663","0.0007","14.3669","0.0006","82.833","0.004","82.432","0.004","65.736","0.006","2013.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 I O4 -","- C21 H27 I O4 -","- C84 H108 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0607","0.0432","","","0.0921","0.1035","","","","","","1.065","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035748","16.6717","0.0011","10.9343","0.0005","13.0037","0.0008","90","","102.86","0.007","90","","2311","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 Br O4 -","- C26 H35 Br O4 -","- C104 H140 Br4 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0846","0.0582","","","0.1459","0.1635","","","","","","1.029","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035749","12.0848","0.0005","12.2104","0.0005","18.6095","0.0008","100.616","0.003","91.338","0.003","117.941","0.004","2365.3","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H35 I O4 -","- C26 H35 I O4 -","- C104 H140 I4 O16 -","4","2","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0591","0.0417","","","0.0837","0.0921","","","","","","1.038","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035750","11.1181","0.0007","12.8001","0.0006","13.9682","0.0007","90","","110.718","0.007","90","","1859.3","0.19","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","0.71073","MoKα","","0.0721","0.046","","","0.0929","0.1055","","","","","","1.043","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035751","12.9743","0.0011","5.0822","0.0005","23.572","0.002","90","","95.159","0.001","90","","1548","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F I O2 -","- C18 H12 F I O2 -","- C72 H48 F4 I4 O8 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1171","0.0855","","","0.1696","0.1795","","","","","","1.102","","","","has coordinates","227192","2020-10-21","18:00:00",""
"4035752","12.5461","0.0011","8.815","0.0008","20.0989","0.0017","90","","117.602","0.004","90","","1969.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Li, Heng; Zhou, Peng; Xie, Feng; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","I<sub>2</sub>-Mediated Iodobenzannulation of Yne-Allenones toward 1-Naphthols and Their Synthetic Application.","The Journal of organic chemistry","2018","83","21","13335","13343","10.1021/acs.joc.8b02108","","","0.71073","MoKα","","0.1831","0.061","","","0.0917","0.1126","","","","","","0.92","","","","has coordinates","227193","2020-10-21","18:00:00",""
"4035753","8.2852","0.0004","9.7366","0.0005","16.1667","0.0009","73.664","0.005","78.191","0.004","74.714","0.004","1195.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N3 O7.1 -","- C25 H31 N3 O7.1 -","- C50 H62 N6 O14.2 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0424","0.0338","","","0.0971","0.0998","","","","","","1.16","","","","has coordinates,has disorder","227194","2020-10-21","18:00:00",""
"4035754","15.4069","0.0005","8.8605","0.0003","21.2971","0.0006","90","","108.059","0.003","90","","2764.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N2 O9 -","- C29 H34 N2 O9 -","- C116 H136 N8 O36 -","4","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0573","0.043","","","0.1216","0.1382","","","","","","1.109","","","","has coordinates","227195","2020-10-21","18:00:00",""
"4035755","10.0889","0.0003","10.3082","0.0004","13.8457","0.0005","98.23","0.003","100.885","0.003","102.672","0.003","1353.74","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cl2 N2 O8 -","- C28 H28 Cl2 N2 O8 -","- C56 H56 Cl4 N4 O16 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0403","0.033","","","0.0986","0.11","","","","","","1.094","","","","has coordinates","227196","2020-10-21","18:00:00",""
"4035756","10.343","0.0003","10.3673","0.0003","14.2508","0.0004","101.735","0.003","98.35","0.003","104.31","0.002","1418.63","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H31 Cl2 N3 O7 -","- C29 H31 Cl2 N3 O7 -","- C58 H62 Cl4 N6 O14 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.0418","0.0366","","","0.0997","0.1049","","","","","","1.102","","","","has coordinates","227197","2020-10-21","18:00:00",""
"4035757","10.881","0.004","11.034","0.004","11.452","0.008","74.96","0.04","66.73","0.05","79.25","0.03","1214.3","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N2 O8 -","- C25.002 H25 N2 O8.002 -","- C50.004 H50 N4 O16.004 -","2","1","","Jurczak, Janusz; Sobczuk, Adam; Da Browa, Kajetan; Lindner, Marcin; Niedbała, Patryk","An Indirect Synthetic Approach toward Conformationally Constrained 20-Membered Unclosed Cryptands via Late-Stage Installation of Intraannular Substituents.","The Journal of organic chemistry","2018","83","21","13560","13567","10.1021/acs.joc.8b02160","","","0.71073","MoKα","","0.104","0.0476","","","0.1307","0.1439","","","","","","0.817","","","","has coordinates,has disorder","227198","2020-10-21","18:00:00",""
"4035758","5.383","0.005","11.95","0.012","19.616","0.019","89.964","0.013","89.969","0.014","85.193","0.012","1257","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O7 -","- C11 H10 N2 O7 -","- C44 H40 N8 O28 -","4","2","","Islam, Abu Saleh Musha; Bhowmick, Rahul; Chandra Garain, Bidhan; Katarkar, Atul; Ali, Mahammad","Nitric Oxide Sensing through 1,2,3,4-Oxatriazole Formation from Acylhydrazide: A Kinetic Study.","The Journal of organic chemistry","2018","83","21","13287","13295","10.1021/acs.joc.8b02110","","","0.71073","MoKα","","0.3408","0.1113","","","0.2123","0.3119","","","","","","1.021","","","","has coordinates","227199","2020-10-21","18:00:00",""
"4035759","12.5876","0.0002","22.9066","0.0004","24.9791","0.0004","106.21","0.0014","90.5433","0.0013","95.2728","0.0013","6882.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145.6 H196.4 Cl2 F5.2 N16 -","- C145.6 H196.4 Cl2 F5.2 N16 -","- C291.2 H392.8 Cl4 F10.4 N32 -","2","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1522","0.1046","","","0.3132","0.3467","","","","","","1.412","","","","has coordinates,has disorder","227200","2020-10-21","18:00:00",""
"4035760","11.409","0.0005","44.6389","0.0019","21.1247","0.0008","90","","101.254","0.004","90","","10551.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C115 H152 Cl2 F N16 -","- C115 H152 Cl2 F N16 -","- C460 H608 Cl8 F4 N64 -","4","1","","Molina-Muriel, Ricardo; Aragay, Gemma; Escudero-Adán, Eduardo C; Ballester, Pablo","Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle.","The Journal of organic chemistry","2018","83","21","13507","13514","10.1021/acs.joc.8b02449","","","0.7107","MoKα","","0.1922","0.0882","","","0.2054","0.2397","","","","","","1.207","","","","has coordinates,has disorder","227201","2020-10-21","18:00:00",""
"4035761","14.4582","0.0006","7.4973","0.0003","23.2194","0.0007","90","","128.512","0.002","90","","1969.44","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O7 -","- C22 H21 N O7 -","- C88 H84 N4 O28 -","4","1","","Yao, Tuanli; Guo, Zhen; Liang, Xiujuan; Qi, Lihan","Regio- and Stereoselective Electrophilic Cyclization Approach for the Protecting-Group-Free Synthesis of Alkaloids Lennoxamine, Chilenine, Fumaridine, 8-Oxypseudoplamatine, and 2- O-(Methyloxy)fagaronine.","The Journal of organic chemistry","2018","83","21","13370","13380","10.1021/acs.joc.8b02154","","","0.71073","MoKα","","0.2153","0.0661","","","0.1024","0.1411","","","","","","0.897","","","","has coordinates","227202","2020-10-21","18:00:00",""
"4035762","8.3905","0.0004","19.0515","0.0006","8.2699","0.0004","90","","116.65","0.006","90","","1181.52","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","","Agafonova, Anastasiya V.; Rostovskii, Nikolai V.; Smetanin, Ilia A.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Synthesis of 2-(Di/tri/tetraazolyl)-2 H-azirine-2-carboxylates by Halogen Substitution: Evidence for an S<sub>N</sub>2'-S<sub>N</sub>2' Cascade Mechanism.","The Journal of organic chemistry","2018","83","21","13473","13480","10.1021/acs.joc.8b02295","","x-ray","1.54184","CuKα","","0.0395","0.0357","","","0.0945","0.0987","","","","","","1.043","","","","has coordinates","227203","2020-10-21","18:00:00",""
"4035763","12.6636","0.0002","12.667","0.0002","17.6579","0.0003","90","","109.067","0.002","90","","2677.1","0.08","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N6 O3 -","- C31 H28 N6 O3 -","- C124 H112 N24 O12 -","4","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0841","0.0562","","","0.1742","0.1789","","","","","","1.331","","","","has coordinates","227204","2020-10-21","18:00:00",""
"4035764","8.2396","0.0002","11.5901","0.0005","12.2867","0.0006","107.523","0.004","104.775","0.003","90.14","0.003","1077.91","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N6 O2 -","- C23 H24 N6 O2 -","- C46 H48 N12 O4 -","2","1","","Li, Lingjun; Huang, Shenlong; Shang, Tongpeng; Zhang, Bo; Guo, Yuanyang; Zhu, Gongming; Zhou, Demin; Zhang, Guisheng; Zhu, Anlian; Zhang, Lihe","Medium Rings Bearing Bitriazolyls: Easily Accessible Structures with Superior Performance as Cu Catalyst Ligands.","The Journal of organic chemistry","2018","83","21","13166","13177","10.1021/acs.joc.8b01899","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1661","0.174","","","","","","1.178","","","","has coordinates","227205","2020-10-21","18:00:00",""
"4035765","26.219","0.005","5.8096","0.0011","14.123","0.003","90","","105.602","0.005","90","","2072","0.7","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C88 H96 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0658","0.0539","","","0.1312","0.1396","","","","","","1.023","","","","has coordinates","227206","2020-10-21","18:00:00",""
"4035766","28.22","0.004","5.8112","0.0007","14.3654","0.0018","90","","104.727","0.003","90","","2278.4","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cl O5 -","- C11 H11 Cl O5 -","- C88 H88 Cl8 O40 -","8","2","","Vil', Vera A.; Gomes, Gabriel Dos Passos; Ekimova, Maria V.; Lyssenko, Konstantin A.; Syroeshkin, Mikhail A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Five Roads That Converge at the Cyclic Peroxy-Criegee Intermediates: BF<sub>3</sub>-Catalyzed Synthesis of β-Hydroperoxy-β-peroxylactones.","The Journal of organic chemistry","2018","83","21","13427","13445","10.1021/acs.joc.8b02218","","","0.71073","MoKα","","0.0788","0.0703","","","0.1824","0.1896","","","","","","1.122","","","","has coordinates,has disorder","227207","2020-10-21","18:00:00",""
"4035767","10.689","0.005","11.005","0.005","22.45","0.01","90","","90","","90","","2641","2","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Vlahoviček-Kahlina, Kristina; Vazdar, Mario; Jakas, Andreja; Smrečki, Vilko; Jerić, Ivanka","Synthesis of Glycomimetics by Diastereoselective Passerini Reaction.","The Journal of organic chemistry","2018","83","21","13146","13156","10.1021/acs.joc.8b01874","","x-ray","1.54179","CuKα","","0.0699","0.0642","","","0.1701","0.1806","","","","","","0.998","","","","has coordinates","227208","2020-10-21","18:00:00",""
"4035768","6.4115","0.0017","8.767","0.002","14.597","0.004","78.988","0.003","83.727","0.003","86.868","0.003","800.1","0.4","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0948","0.0614","","","0.1521","0.182","","","","","","1.04","","","","has coordinates","227209","2020-10-21","18:00:00",""
"4035769","7.64","0.003","8.93","0.004","11.458","0.005","72.751","0.004","75.543","0.005","79.079","0.005","717.3","0.5","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 N4 -","- C19 H12 N4 -","- C38 H24 N8 -","2","1","","Banerji, Biswadip; Chatterjee, Satadru; Chandrasekhar, Kadaiahgari; Ghosh, Saswati; Mukherjee, Kaustuv; Mandal, Chitra","Detection of Lysosome by a Fluorescent Heterocycle: Development of Fused Pyrido-Imidazo-Indole Framework via Cu-Catalyzed Tandem N-Arylation.","The Journal of organic chemistry","2018","83","21","13011","13018","10.1021/acs.joc.8b01513","","","0.71073","MoKα","","0.0767","0.0588","","","0.1583","0.1796","","","","","","1.026","","","","has coordinates","227210","2020-10-21","18:00:00",""
"4035770","17.4965","0.0008","8.3662","0.0003","24.4494","0.0012","90","","112.004","0.006","90","","3318.2","0.3","290.04","0.1","290.04","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl F2 N2 O3 -","- C15 H15 Cl F2 N2 O3 -","- C120 H120 Cl8 F16 N16 O24 -","8","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","x-ray","0.71073","MoKα","","0.073","0.0472","","","0.1023","0.1219","","","","","","1.062","","","","has coordinates","227211","2020-10-21","18:00:00",""
"4035771","6.1733","0.0005","8.5095","0.001","14.0773","0.0018","92.458","0.01","99.125","0.009","104.26","0.009","705.05","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl F2 N2 O3 -","- C13 H11 Cl F2 N2 O3 -","- C26 H22 Cl2 F4 N4 O6 -","2","1","","Ma, Jun-Wei; Wang, Qiang; Wang, Xin-Gang; Liang, Yong-Min","Palladium-Catalyzed Cascade Difluoroalkylation/Cyclization of N-Propargylamides: Synthesis of Oxazoles and Oxazolines.","The Journal of organic chemistry","2018","83","21","13296","13307","10.1021/acs.joc.8b02111","","","1.54184","CuKα","","0.1006","0.0934","","","0.2842","0.315","","","","","","1.292","","","","has coordinates","227212","2020-10-21","18:00:00",""
"4035772","8.3559","0.0007","23.62","0.002","12.4025","0.001","90","","100.823","0.004","90","","2404.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","vbchem255_a","","- C27 H20 F N O5 S2 -","- C27 H20 F N O5 S2 -","- C108 H80 F4 N4 O20 S8 -","4","1","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.0978","0.0734","","","0.1931","0.2133","","","","","","1.406","","","","has coordinates","227213","2020-10-21","18:00:00",""
"4035773","8.993","0.007","15.405","0.012","19.491","0.015","104.505","0.008","90.034","0.009","90.131","0.008","2614","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","vbchem288_a","","","- C28 H23 N O4 S2 -","- C28 H23 N O4 S2 -","- C112 H92 N4 O16 S8 -","4","2","","Samanta, Sadhanendu; Hajra, Alakananda","Divergent Synthesis of Allenylsulfonamide and Enaminonesulfonamide via In(III)-Catalyzed Couplings of Propargylamine and N-Fluorobenzenesulfonimide.","The Journal of organic chemistry","2018","83","21","13157","13165","10.1021/acs.joc.8b01882","","","0.71073","MoKα","","0.136","0.0898","","","0.2277","0.2557","","","","","","1.428","","","","has coordinates","227214","2020-10-21","18:00:00",""
"4035774","28.5703","0.001","28.5703","0.001","9.311","0.0004","90","","90","","120","","6582","0.4","293","2","293.15","","","","","","","","","4","P 64","P 64","172","","","","- C43 H53 N O8 -","- C43 H53 N O8 -","- C258 H318 N6 O48 -","6","1","","Song, Tengfei; Chen, Mengxuan; Ge, Zhi-Wei; Chai, Weiyun; Li, Xing-Cong; Zhang, Zhizhen; Lian, Xiao-Yuan","Bioactive Penicipyrrodiether A, an Adduct of GKK1032 Analogue and Phenol A Derivative, from a Marine-Sourced Fungus Penicillium sp. ZZ380.","The Journal of organic chemistry","2018","83","21","13395","13401","10.1021/acs.joc.8b02172","","","1.54184","CuKα","","0.0935","0.0792","","","0.2187","0.238","","","","","","1.097","","","","has coordinates","227215","2020-10-21","18:00:00",""
"4035775","6.5496","0.0004","10.8428","0.0006","27.6666","0.0015","90","","90","","90","","1964.77","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LMC-04-038","LMC-04-038","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Lacker, Caitlin R.; Wu, Linglin; Reisman, Sarah E.","Evolution of a Strategy for the Enantioselective Total Synthesis of (+)-Psiguadial B.","The Journal of organic chemistry","2018","83","11","6066","6085","10.1021/acs.joc.8b00728","","","1.54178","CuKα","","0.03","0.0272","","","0.0655","0.0672","","","","","","1.021","","","","has coordinates","227216","2020-10-21","18:00:00",""
"4035776","5.2551","0.0006","8.3833","0.0008","15.9413","0.0016","80.053","0.008","84.296","0.009","86.691","0.009","687.72","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0684","0.0498","","","0.1236","0.1412","","","","","","1.017","","","","has coordinates","227217","2020-10-21","18:00:00",""
"4035777","5.3098","0.0005","15.9656","0.0013","19.7582","0.0019","113.815","0.009","93.449","0.008","93.537","0.007","1522.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","2","","Wu, Feifei; Zhang, Min; Zhou, Wei; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Copper(I)-Catalyzed N-O Bond Formation through Vinyl Nitrene Mediated Pathway under Mild Conditions.","The Journal of organic chemistry","2018","83","11","5999","6005","10.1021/acs.joc.8b00605","","","0.71073","MoKα","","0.0983","0.0608","","","0.1517","0.1893","","","","","","1.023","","","","has coordinates","227218","2020-10-21","18:00:00",""
"4035778","10.578","0.004","10.734","0.004","12.077","0.005","90.378","0.007","104.548","0.007","109.881","0.007","1241.8","0.8","298","2","298.15","","","","","","","","","5","P 1","P 1","1","","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C54 H60 N4 O8 S2 -","2","2","","Mason, Jeremy D.; Weinreb, Steven M.","Synthesis of Alstoscholarisines A-E, Monoterpene Indole Alkaloids with Modulating Effects on Neural Stem Cells.","The Journal of organic chemistry","2018","83","11","5877","5896","10.1021/acs.joc.8b00889","","","0.71073","MoKα","","0.1023","0.0744","","","0.1872","0.209","","","","","","1.03","","","","has coordinates","227219","2020-10-21","18:00:00",""
"4035779","13.6366","0.0008","24.0463","0.0011","36.97","0.002","90","","90","","90","","12122.8","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C41 H32 N2 O -","- C41 H32 N2 O -","- C656 H512 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1129","0.059","","","0.1202","0.1335","","","","","","1.022","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035780","13.4284","0.0013","14.8108","0.0014","18.7925","0.0018","85.621","0.003","85.759","0.003","64.039","0.003","3347.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H31 Cl N2 O -","- C41 H31 Cl N2 O -","- C164 H124 Cl4 N8 O4 -","4","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1388","0.0748","","","0.1999","0.2209","","","","","","1.09","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035781","11.9933","0.0012","26.441","0.003","10.9468","0.0011","90","","91.761","0.004","90","","3469.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C168 H136 N8 O4 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1546","0.0756","","","0.2047","0.2342","","","","","","1.047","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035782","10.0551","0.0012","13.9307","0.0016","14.3219","0.0016","105.884","0.004","101.048","0.004","101.07","0.004","1829.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N2 O -","- C42 H34 N2 O -","- C84 H68 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1519","0.0758","","","0.2328","0.2594","","","","","","1.075","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035783","11.639","0.002","13.469","0.002","14.068","0.003","118.311","0.005","106.032","0.005","95.844","0.005","1794.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 Cl4 N2 O -","- C42 H32 Cl4 N2 O -","- C84 H64 Cl8 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1656","0.0666","","","0.1359","0.155","","","","","","1.014","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035784","11.4683","0.0017","12.6934","0.0017","13.202","0.0019","76.23","0.005","74.653","0.005","78.53","0.003","1781","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H35 Cl N2 O -","- C40 H35 Cl N2 O -","- C80 H70 Cl2 N4 O2 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1319","0.0871","","","0.2474","0.262","","","","","","1.08","","","","has coordinates,has disorder","227220","2020-10-21","18:00:00",""
"4035785","13.4054","0.001","21.7037","0.0015","9.9449","0.0007","90","","97.042","0.002","90","","2871.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1495","0.0619","","","0.1285","0.1571","","","","","","1.018","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035786","18.6639","0.0014","19.7338","0.0016","30.808","0.003","90","","90","","90","","11346.9","1.7","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C34 H30 N2 O -","- C34 H30 N2 O -","- C544 H480 N32 O16 -","16","2","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.1303","0.0696","","","0.1813","0.2203","","","","","","1.059","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035787","19.7225","0.0007","19.7225","0.0007","15.4255","0.0006","90","","90","","90","","6000.2","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H27 Cl N2 O -","- C33 H27 Cl N2 O -","- C264 H216 Cl8 N16 O8 -","8","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0824","0.0516","","","0.1218","0.1351","","","","","","1.05","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035788","10.1559","0.0012","11.5592","0.0013","12.7266","0.0014","64.486","0.003","71.763","0.004","64.08","0.003","1198.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O3 -","- C28 H25 Cl N2 O3 -","- C56 H50 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Sun, Qiu; Yan, Chao-Guo","Selective Synthesis of 3-(9 H-Carbazol-2-yl)indolin-2-ones and Spiro[tetrahydrocarbazole-3,3'-oxindoles] via a HOTf Catalyzed Three-Component Reaction.","The Journal of organic chemistry","2018","83","11","5909","5919","10.1021/acs.joc.8b00196","","","0.71073","MoKα","","0.0858","0.0555","","","0.1298","0.1399","","","","","","1.058","","","","has coordinates","227220","2020-10-21","18:00:00",""
"4035789","12.1429","0.0007","7.2183","0.0004","17.3189","0.0011","90","","92.941","0.004","90","","1516.02","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Das, Malay; Saikia, Anil K.","Stereoselective Synthesis of Pyrroloisoindolone and Pyridoisoindolone via aza-Prins Cyclization of Endocyclic N-Acyliminium Ions.","The Journal of organic chemistry","2018","83","11","6178","6185","10.1021/acs.joc.8b00440","","","0.71073","MoKα","","0.0705","0.0397","","","0.068","0.0787","","","","","","0.904","","","","has coordinates","227221","2020-10-21","18:00:00",""
"4035790","8.1721","0.0003","10.6004","0.0005","13.6501","0.0005","90","","95.223","0.003","90","","1177.56","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 N O2 Si -","- C24 H31 N O2 Si -","- C48 H62 N2 O4 Si2 -","2","1","","Zheng, Nan; Song, Wangze; Zhang, Tiexin; Li, Ming; Zheng, Yubin; Chen, Lingyue","Rhodium-Catalyzed Highly Regioselective and Stereoselective Intermolecular Hydrosilylation of Internal Ynamides under Mild Conditions.","The Journal of organic chemistry","2018","83","11","6210","6216","10.1021/acs.joc.8b00695","","","0.71073","MoKα","","0.0402","0.0346","","","0.0839","0.0874","","","","","","1.039","","","","has coordinates","227222","2020-10-21","18:00:00",""
"4035791","8.4214","0.0005","11.5257","0.0007","22.6933","0.0015","90","","90","","90","","2202.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0612","0.0415","","","0.0989","0.1099","","","","","","1.073","","","","has coordinates","227223","2020-10-21","18:00:00",""
"4035792","9.1524","0.0006","11.9912","0.0007","16.2594","0.001","90","","104.48","0.002","90","","1727.76","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0609","0.0451","","","0.1211","0.144","","","","","","1.073","","","","has coordinates","227224","2020-10-21","18:00:00",""
"4035793","10.6766","0.0019","12.442","0.002","12.841","0.002","109.01","0.002","106.262","0.002","107.322","0.002","1398.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H25 N O4 S2 -","- C33 H25 N O4 S2 -","- C66 H50 N2 O8 S4 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0838","0.052","","","0.1288","0.1579","","","","","","1.061","","","","has coordinates","227225","2020-10-21","18:00:00",""
"4035794","9.2961","0.0019","11.453","0.003","13.679","0.003","66.577","0.007","83.279","0.007","87.817","0.007","1327.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N O5 S -","- C31 H29 N O5 S -","- C62 H58 N2 O10 S2 -","2","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.1381","0.0785","","","0.1865","0.2156","","","","","","1.03","","","","has coordinates","227226","2020-10-21","18:00:00",""
"4035795","14.0165","0.0001","9.9285","0.0001","18.7196","0.0002","90","","90.997","0.001","90","","2604.68","0.04","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C120 H116 N4 O20 -","4","1","","Xu, Hui; Liu, Hong-Wei; Chen, Kuan; Wang, Guan-Wu","One-Pot Multicomponent Mechanosynthesis of Polysubstituted trans-2,3-Dihydropyrroles and Pyrroles from Amines, Alkyne Esters, and Chalcones.","The Journal of organic chemistry","2018","83","11","6035","6049","10.1021/acs.joc.8b00665","","","1.54184","CuKα","","0.0533","0.0494","","","0.1419","0.1465","","","","","","1.045","","","","has coordinates","227227","2020-10-21","18:00:00",""
"4035796","5.1273","0.0014","7.9444","0.0019","30.291","0.007","90","","90","","90","","1233.9","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O4 -","- C24 H28 F6 N2 O4 -","- C48 H56 F12 N4 O8 -","2","0.5","","Cui, Bin; Sun, Hui; Xu, Yibo; Li, Lin; Duan, Lili; Li, Yue-Ming","Mn(OAc)<sub>3</sub>-Mediated Hydrotrifluoromethylation of Unactivated Alkenes Using CF<sub>3</sub>SO<sub>2</sub>Na as the Trifluoromethyl Source.","The Journal of organic chemistry","2018","83","11","6015","6024","10.1021/acs.joc.8b00633","","","0.71073","MoKα","","0.0823","0.0778","","","0.2407","0.2446","","","","","","1.028","","","","has coordinates","227228","2020-10-21","18:00:00",""
"4035797","16.2416","0.0005","16.56","0.0006","14.0383","0.0004","90","","91.79","0.002","90","","3773.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C176 H168 N8 O24 -","8","2","","Ramanathan, Mani; Wang, Yu-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Cheng, Yuan-Chung; Liu, Shiuh-Tzung","Preparation of Ketimines from Aryldiazonium Salts, Arenes, and Nitriles via Intermolecular Arylation of N-Arylnitrilium Ions.","The Journal of organic chemistry","2018","83","11","6133","6141","10.1021/acs.joc.8b01000","","","0.71073","MoKα","","0.0852","0.0477","","","0.1012","0.1228","","","","","","1.003","","","","has coordinates","227229","2020-10-21","18:00:00",""
"4035798","11.228","0.006","16.224","0.008","18.542","0.009","90","","90","","90","","3378","3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 N2 O -","- C39 H32 N2 O -","- C156 H128 N8 O4 -","4","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1074","0.0762","","","0.2088","0.2341","","","","","","0.934","","","","has coordinates","227230","2020-10-21","18:00:00",""
"4035799","23.869","0.003","13.815","0.002","19.332","0.003","90","","103.665","0.002","90","","6194.3","1.5","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H33 Cl N2 O -","- C39.5 H33 Cl N2 O -","- C316 H264 Cl8 N16 O8 -","8","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1219","0.0648","","","0.1705","0.2013","","","","","","1.034","","","","has coordinates","227231","2020-10-21","18:00:00",""
"4035800","5.272","0.003","11.037","0.007","14.722","0.01","90","","90","","90","","856.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Khan, Hina P. A.; Das, Dipendu; Chakraborty, Tushar Kanti","Application of Cp<sub>2</sub>TiCl-Promoted Radical Cyclization: A Unified Strategy for the Syntheses of Iridoid Monoterpenes.","The Journal of organic chemistry","2018","83","11","6086","6092","10.1021/acs.joc.8b00752","","x-ray","0.71073","MoKα","","0.0383","0.0304","","","0.0682","0.0736","","","","","","1.09","","","","has coordinates","227233","2020-10-21","18:00:00",""
"4035801","17.1569","0.001","7.1445","0.0004","12.2275","0.0008","90","","90.144","0.004","90","","1498.81","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl N3 O2 -","- C17 H12 Cl N3 O2 -","- C68 H48 Cl4 N12 O8 -","4","1","","Sarkar, Tanumay; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Ruthenium(II)-Catalyzed Positional Selective C-H Oxygenation of N-Aryl-2-pyrimidines.","The Journal of organic chemistry","2018","83","12","6444","6453","10.1021/acs.joc.8b00714","","","0.71073","MoKα","","0.0448","0.0345","","","0.0873","0.0937","","","","","","1.045","","","","has coordinates","227234","2020-10-21","18:00:00",""
"4035802","9.9305","0.0001","12.059","0.0001","18.5891","0.0002","90","","90","","90","","2226.08","0.04","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C80 H108 Br4 N8 O16 -","4","1","","Liu, Kun; Jiang, Hua-Jie; Li, Na; Li, Hui; Wang, Jing; Zhang, Zheng-Zhu; Yu, Jie","Enantioselective Bromocyclization of Tryptamines Induced by Chiral Co(III)-Complex-Templated Brønsted Acids under an Air Atmosphere.","The Journal of organic chemistry","2018","83","12","6815","6823","10.1021/acs.joc.8b01196","","","1.54184","CuKα","","0.0306","0.0297","","","0.0785","0.0793","","","","","","1.043","","","","has coordinates","227235","2020-10-21","18:00:00",""
"4035803","8.7173","0.0004","10.9529","0.0005","25.4242","0.001","90","","94.556","0.004","90","","2419.82","0.18","293","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Cl N O2 Rh -","- C27 H31 Cl N O2 Rh -","- C108 H124 Cl4 N4 O8 Rh4 -","4","1","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.0359","0.031","","","0.0668","0.0689","","","","","","1.084","","","","has coordinates","227236","2020-10-21","18:00:00",""
"4035804","31.492","","9.345","","21.839","","90","","112.88","","90","","5921.39","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 F12 N4 O16 S4 -","- C50 H48 F12 N4 O16 S4 -","- C200 H192 F48 N16 O64 S16 -","4","0.5","","Tian, Miaomiao; Zheng, Guangfan; Fan, Xuesen; Li, Xingwei","Rhodium(III)-Catalyzed Redox-Neutral Synthesis of Isoquinolinium Salts via C-H Activation of Imines.","The Journal of organic chemistry","2018","83","12","6477","6488","10.1021/acs.joc.8b00758","","","0.71073","MoKα","","0.1179","0.0918","","","0.3113","0.3455","","","","","","1.367","","","","has coordinates","227237","2020-10-21","18:00:00",""
"4035805","7.5477","0.0004","8.0801","0.0004","11.7891","0.0006","94.924","0.003","106.559","0.003","96.266","0.003","679.86","0.06","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 B F6 N2 -","- C15 H9 B F6 N2 -","- C30 H18 B2 F12 N4 -","2","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0713","0.0471","","","0.1201","0.1342","","","","","","1.034","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035806","22.7561","0.0011","9.3087","0.0004","20.1701","0.0009","90","","100.347","0.004","90","","4203.1","0.3","110","0.5","110","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 B2 F12 N6 -","- C42 H26 B2 F12 N6 -","- C168 H104 B8 F48 N24 -","4","0.5","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","0.71073","MoKα","","0.0611","0.0424","","","0.0969","0.1032","","","","","","1.048","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035807","32.7756","0.0017","33.3988","0.0018","16.7223","0.0009","90","","120.683","0.003","90","","15742.7","1.5","105","0.5","105","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H15 B F12 N2 -","- C29 H15 B F12 N2 -","- C696 H360 B24 F288 N48 -","24","3","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1806","0.1518","","","0.3601","0.3944","","","","","","1.555","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035808","14.0984","0.0013","7.4733","0.0004","30.328","0.003","90","","102.619","0.007","90","","3118.2","0.5","110","0.5","110","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","1","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1728","0.1141","","","0.2761","0.3126","","","","","","0.939","","","","has coordinates","227238","2020-10-21","18:00:00",""
"4035809","12.6276","0.0005","14.8535","0.0007","16.4118","0.0008","112.252","0.003","94.497","0.003","95.789","0.003","2811.7","0.2","105","0.5","105","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 B F6 N2 S2 -","- C29 H21 B F6 N2 S2 -","- C116 H84 B4 F24 N8 S8 -","4","2","","Savoldelli, Andrea; Meng, Qianli; Paolesse, Roberto; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Tetrafluorobenzo-Fused BODIPY: A Platform for Regioselective Synthesis of BODIPY Dye Derivatives.","The Journal of organic chemistry","2018","83","12","6498","6507","10.1021/acs.joc.8b00789","","","1.54184","CuKα","","0.1032","0.0739","","","0.2006","0.2196","","","","","","0.998","","","","has coordinates,has disorder","227238","2020-10-21","18:00:00",""
"4035810","11.966","0.004","13.517","0.005","19.836","0.005","95.32","0.03","104.25","0.03","106.6","0.03","2933.8","1.8","103","2","103","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H52 Br N8 Na O2 -","- C40 H48 Br0.999 N8 Na O1.91633 -","- C120 H144 Br2.997 N24 Na3 O5.749 -","3","3","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1837","0.095","","","0.2062","0.2642","","","","","","1.002","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035811","12.092","0.004","27.403","0.008","23.358","0.009","90","","93.3","0.03","90","","7727","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.7 H52.6 Br K N8 O1.6 -","- C40.6765 H50.706 Br0.99975 K N8 O1.55625 -","- C325.412 H405.648 Br7.998 K8 N64 O12.45 -","8","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1385","0.0775","","","0.1372","0.1589","","","","","","1.001","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035812","21.201","0.004","26.732","0.006","26.969","0.005","90","","90","","90","","15285","5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.8 H52.6 Br K N8 O1.5 -","- C40.8125 H51.25 Br K N8 O1.49625 -","- C653 H820 Br16 K16 N128 O23.94 -","16","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1395","0.0791","","","0.1939","0.2211","","","","","","1.023","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035813","11.232","0.002","12.217","0.002","33.308","0.008","90","","90","","90","","4570.6","1.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52.8 Cl4 N8 O16.4 -","- C40 H52.822 Cl4 N8 O16.411 -","- C160 H211.288 Cl16 N32 O65.644 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1199","0.0746","","","0.1461","0.1668","","","","","","1.02","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035814","12.559","0.003","12.559","0.003","56.211","0.009","90","","90","","90","","8866","3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C33 H61 Cl4 N7 O7 -","- C33 H47 Cl4 N7 O7 -","- C264 H376 Cl32 N56 O56 -","8","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","1.5418","CuKα","","0.1052","0.1027","","","0.2799","0.2819","","","","","","1.08","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035815","16.703","0.003","18.692","0.004","18.76","0.004","90","","90","","90","","5857","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H80 N8 O8 S2 -","- C62 H80 N8 O8 S2 -","- C248 H320 N32 O32 S8 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.0909","0.0605","","","0.1326","0.1417","","","","","","0.941","","","","has coordinates","227239","2020-10-21","18:00:00",""
"4035816","10.417","0.009","10.557","0.009","14.063","0.012","91.01","0.005","106.752","0.018","104.575","0.017","1426","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 N O2 P -","- C37 H30 N O2 P -","- C74 H60 N2 O4 P2 -","2","1","","Nagahora, Noriyoshi; Goto, Shoko; Inatomi, Takahiro; Tokumaru, Hiroshi; Matsubara, Kouki; Shioji, Kosei; Okuma, Kentaro","Buchwald-Hartwig Amination of Phosphinines and the Effect of Amine Substituents on Optoelectronic Properties of the Resulting Coupling Products.","The Journal of organic chemistry","2018","83","12","6373","6381","10.1021/acs.joc.8b00592","","","0.71075","MoKα","","0.1178","0.0822","","","0.219","0.2517","","","","","","1.003","","","","has coordinates","227240","2020-10-21","18:00:00",""
"4035817","22.2044","0.0012","8.5077","0.0007","7.4456","0.0006","90","","90","","90","","1406.54","0.18","298","0.1","298","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Shi, Xiaonan; Chen, Xi; Wang, Muhua; Zhang, Xinying; Fan, Xuesen","Regioselective Synthesis of Acylated N-Heterocycles via the Cascade Reactions of Saturated Cyclic Amines with 2-Oxo-2-arylacetic Acids.","The Journal of organic chemistry","2018","83","12","6524","6533","10.1021/acs.joc.8b00805","","x-ray","0.71073","MoKα","","0.0462","0.0434","","","0.0984","0.0999","","","","","","1.111","","","","has coordinates","227241","2020-10-21","18:00:00",""
"4035818","11.1647","0.0007","11.6691","0.0007","16.6362","0.0011","90","","90","","90","","2167.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N2 O4 -","- C19 H34 N2 O4 -","- C76 H136 N8 O16 -","4","1","","Almond-Thynne, Joshua; Han, Jiaxu; White, Andrew J. P.; Polyzos, Anastasios; Parsons, Philip J.; Barrett, Anthony G. M.","Bidirectional Synthesis of Di- tert-butyl (2 S,6 S,8 S)- and (2 R,6 R,8 R)-1,7-Diazaspiro[5.5]undecane-2,8-dicarboxylate and Related Spirodiamines.","The Journal of organic chemistry","2018","83","12","6783","6787","10.1021/acs.joc.8b00794","","","1.54184","CuKα","","0.1112","0.0681","","","0.161","0.1985","","","","","","0.978","","","","has coordinates,has disorder","227242","2020-10-21","18:00:00",""
"4035819","7.4452","0.0007","9.2054","0.0009","26.702","0.003","90","","90","","90","","1830","0.3","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Menger, Martina; Lentz, Dieter; Christmann, Mathias","Synthesis of (+)-Vitepyrroloid A and (+)-Vitepyrroloid B by Late-Stage Ni-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling.","The Journal of organic chemistry","2018","83","12","6793","6797","10.1021/acs.joc.8b00882","","","1.54178","CuKα","","0.0276","0.0276","","","0.0704","0.0704","","","","","","1.092","","","","has coordinates","227243","2020-10-21","18:00:00",""
"4035820","15.4095","0.001","90.764","0.006","4.2446","0.0003","90","","90","","90","","5936.6","0.7","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","iodo chlorophenyl phenylselenophene","3-iodo-4-(4-chlorophenyl)-2-phenylselenophene","","- C16 H10 Cl I Se -","- C16 H10 Cl I Se -","- C256 H160 Cl16 I16 Se16 -","16","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0336","0.0335","","","0.0958","0.0959","","","","","","1.088","","","","has coordinates","227244","2020-10-21","18:00:00",""
"4035821","5.7033","0.0002","22.7969","0.0009","23.3729","0.0009","90","","90.033","0.002","90","","3038.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bromo naphthalen tetrahydrobenzo selenophene","3-bromo-2-(naphthalen-2-yl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C18 H15 Br Se -","- C18 H15 Br Se -","- C144 H120 Br8 Se8 -","8","2","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","1.54178","CuKα","","0.0401","0.0364","","","0.1023","0.1057","","","","","","1.098","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4035822","9.4395","0.0004","8.61","0.0004","16.0486","0.0006","90","","98.143","0.001","90","","1291.18","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","iodo phenyl tetrahydrobenzo selephene","3-iodo-2-phenyl-4,5,6,7-tetrahydrobenzo[b]selephene","","- C14 H13 I Se -","- C14 H13 I Se -","- C56 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.56086","AgKα","","0.0224","0.019","","","0.0408","0.0477","","","","","","1.212","","","","has coordinates","227246","2020-10-21","18:00:00",""
"4035823","17.7202","0.0019","5.9497","0.0007","13.9707","0.0015","90","","95.958","0.003","90","","1465","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","iodo methylphenyl phenylselenophene","3-iodo-4-(4-methylphenyl)-2-phenylselenophene","","- C17 H13 I Se -","- C17 H13 I Se -","- C68 H52 I4 Se4 -","4","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0312","0.0284","","","0.0761","0.0786","","","","","","1.06","","","","has coordinates","227247","2020-10-21","18:00:00",""
"4035824","40.01","0.0002","5.3146","0.0003","15.5045","0.0009","90","","91.234","0.002","90","","3296.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","phenyl phenylethynyl tetrahydrobenzo selenophene","2-phenyl-3-(phenylethynyl)-4,5,6,7-tetrahydrobenzo[b]selenophene","","- C22 H18 Se -","- C22 H18 Se -","- C176 H144 Se8 -","8","1","","Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson","Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.","The Journal of organic chemistry","2018","83","12","6706","6718","10.1021/acs.joc.8b01136","","","0.71073","MoKα","","0.0437","0.0349","","","0.0817","0.0844","","","","","","1.052","","","","has coordinates","227248","2020-10-21","18:00:00",""
"4035825","16.6619","0.0006","10.7864","0.0003","11.6368","0.0003","90","","101.846","0.003","90","","2046.85","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O7 S -","- C21 H21 N O7 S -","- C84 H84 N4 O28 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","1.5418","CuKα","","0.0534","0.0456","","","0.1218","0.1296","","","","","","1.037","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035826","14.2564","0.001","7.5171","0.0005","21.4885","0.0016","90","","92.211","0.007","90","","2301.1","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O8 S -","- C24 H27 N O8 S -","- C96 H108 N4 O32 S4 -","4","1","","Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.","The Journal of organic chemistry","2018","83","12","6728","6740","10.1021/acs.joc.8b00392","","","0.71073","MoKα","","0.0691","0.0541","","","0.1081","0.1166","","","","","","1.111","","","","has coordinates","227249","2020-10-21","18:00:00",""
"4035827","8.15","0.002","15.852","0.004","10.041","0.003","90","","99.101","0.004","90","","1280.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Wei, Lin-Su; He, Guo-Xue; Kong, Xiang-Fei; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Gold(III)-Catalyzed Selective Cyclization of Alkynyl Quinazolinone-Tethered Pyrroles: Synthesis of Fused Quinazolinone Scaffolds.","The Journal of organic chemistry","2018","83","12","6719","6727","10.1021/acs.joc.8b00168","","","0.71073","MoKα","","0.0517","0.0429","","","0.1227","0.1334","","","","","","1.051","","","","has coordinates","227250","2020-10-21","18:00:00",""
"4035828","14.4722","0.0013","7.4682","0.0007","19.5138","0.0014","90","","113.454","0.005","90","","1934.8","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F O4 -","- C22 H29 F O4 -","- C88 H116 F4 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.1412","0.0654","","","0.1637","0.1935","","","","","","1.04","","","","has coordinates,has disorder","227251","2020-10-21","18:00:00",""
"4035829","7.8995","0.0003","8.2826","0.0003","29.6905","0.0012","90","","90","","90","","1942.6","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.0522","0.0396","","","0.0887","0.0945","","","","","","1.024","","","","has coordinates","227252","2020-10-21","18:00:00",""
"4035830","8.0167","0.0016","8.298","0.0018","9.931","0.002","76.343","0.012","74.733","0.012","85.06","0.013","619.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.0897","0.0645","","","0.1859","0.2072","","","","","","1.027","","","","has coordinates","227253","2020-10-21","18:00:00",""
"4035831","13.1964","0.001","17.5953","0.0012","14.6919","0.001","90","","96.304","0.003","90","","3390.8","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C180 H120 O24 -","12","3","","Mancuso, Raffaella; Pomelli, Christian S.; Chiappetta, Piera; Gioia, Katia F.; Maner, Asif; Marino, Nadia; Veltri, Lucia; Chiappe, Cinzia; Gabriele, Bartolo","Divergent Syntheses of ( Z)-3-Alkylideneisobenzofuran-1(3 H)-ones and 1 H-Isochromen-1-ones by Copper-Catalyzed Cycloisomerization of 2-Alkynylbenzoic Acids in Ionic Liquids.","The Journal of organic chemistry","2018","83","12","6673","6680","10.1021/acs.joc.8b00923","","","0.71073","MoKα","","0.042","0.032","","","0.0891","0.1067","","","","","","1.11","","","","has coordinates","227254","2020-10-21","18:00:00",""
"4035832","9.4156","0.0007","16.2735","0.0013","10.0456","0.0008","90","","100.074","0.002","90","","1515.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0411","0.0348","","","0.0817","0.0852","","","","","","1.03","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035833","15.4645","0.0014","18.338","0.0016","5.4053","0.0004","90","","93.229","0.003","90","","1530.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin","Stereocontrolled Synthesis of 3-Sulfonyl Chroman-4-ols.","The Journal of organic chemistry","2018","83","12","6798","6804","10.1021/acs.joc.8b01043","","","0.71073","MoKα","","0.0716","0.0632","","","0.1514","0.1573","","","","","","1.136","","","","has coordinates","227255","2020-10-21","18:00:00",""
"4035834","11.2544","0.0015","17.5322","0.0014","7.5684","0.001","90","","108.024","0.013","90","","1420.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F2 N3 O3 -","- C15 H13 F2 N3 O3 -","- C60 H52 F8 N12 O12 -","4","1","","Han, Wen-Yong; Wang, Jian-Shu; Zhao, Jia; Long, Lin; Cui, Bao-Dong; Wan, Nan-Wei; Chen, Yong-Zheng","A Protocol for the Synthesis of CF<sub>2</sub>H-Containing Pyrazolo[1,5- c]quinazolines from 3-Ylideneoxindoles and in Situ Generated CF<sub>2</sub>HCHN<sub>2</sub>.","The Journal of organic chemistry","2018","83","12","6556","6565","10.1021/acs.joc.8b00866","","","0.71073","MoKα","","0.1231","0.0564","","","0.1247","0.1563","","","","","","1.005","","","","has coordinates","227256","2020-10-21","18:00:00",""
"4035835","9.1373","0.0005","22.4412","0.001","17.6747","0.001","90","","103.855","0.006","90","","3518.8","0.3","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N2 O -","- C20 H14 Cl2 N2 O -","- C160 H112 Cl16 N16 O8 -","8","2","","Li, Zhen-Hua; Jiang, Zhi-Jiang; Shao, Qiao-Ling; Qin, Jin-Jing; Shu, Qiang-Feng; Lu, Wen-Hao; Su, Wei-Ke","One-Pot Cascade Heterocyclization of γ- and β-Ketomalononitriles to 2,4-Dichloro-Substituted Pyrano[2,3- d]pyrimidines and Furo[2,3- d]pyrimidines Mediated by Triphosgene and Triphenylphosphine Oxide.","The Journal of organic chemistry","2018","83","12","6423","6431","10.1021/acs.joc.8b00669","","","0.71073","MoKα","","0.0888","0.0499","","","0.0982","0.1159","","","","","","1.068","","","","has coordinates","227257","2020-10-21","18:00:00",""
"4035836","13.7079","0.0006","5.7149","0.0002","21.2609","0.0009","90","","102.121","0.003","90","","1628.43","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Verma, Shalini; Mishra, Pawan K.; Kumar, Manoj; Sur, Souvik; Verma, Akhilesh K.","Transition-Metal-Free Access to Pyridocarbazoles from 2-Alkynylindole-3-carbaldehydes via Azomethine Ylide.","The Journal of organic chemistry","2018","83","12","6650","6663","10.1021/acs.joc.8b00980","","","0.71073","MoKα","","0.0611","0.0479","","","0.1298","0.1388","","","","","","1.067","","","","has coordinates","227258","2020-10-21","18:00:00",""
"4035837","13.187","0.005","5.857","0.002","20.28","0.009","90","","96.89","0.03","90","","1555","1.1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1514","0.0847","","","0.2281","0.2535","","","","","","1.053","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035838","13.6044","0.0011","5.8328","0.0005","19.6597","0.0015","90","","99.815","0.004","90","","1537.2","0.2","298","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C60 H64 Cl4 N4 O8 S4 -","4","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.0906","0.0435","","","0.1019","0.115","","","","","","1.02","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035839","32.547","0.002","4.2555","0.0002","30.366","0.0019","90","","114.419","0.007","90","","3829.6","0.4","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C176 H112 F24 N8 O32 -","8","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","","0.71073","MoKα","","0.1771","0.0775","","","0.1544","0.19","","","","","","1.074","","","","has coordinates,has disorder","227259","2020-10-21","18:00:00",""
"4035840","7.1559","0.0003","9.9916","0.0006","13.054","0.0004","95.328","0.004","91.807","0.003","102.699","0.004","905.28","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","svk_591","","- C22 H14 F3 N O4 -","- C22 H14 F3 N O4 -","- C44 H28 F6 N2 O8 -","2","1","","Kumar, Siripuram Vijay; Acharya, Anand; Ila, Hiriyakkanavar","Synthesis of 2,4,5-Trisubstituted Oxazoles with Complementary Regioselectivity from α-Oxoketene Dithioacetals and β-(Methylthio)-β-(het)aryl-2-propenones.","The Journal of organic chemistry","2018","83","12","6607","6622","10.1021/acs.joc.8b00900","","x-ray","0.71073","MoKα","","0.0582","0.049","","","0.1165","0.1241","","","","","","1.06","","","","has coordinates","227259","2020-10-21","18:00:00",""
"4035841","29.204","0.003","5.9824","0.0006","18.1623","0.0017","90","","120.993","0.014","90","","2720.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cl N O4 S -","- C13 H12 Cl N O4 S -","- C104 H96 Cl8 N8 O32 S8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1087","0.0566","","","0.1378","0.1657","","","","","","0.917","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035842","13.4599","0.0013","5.9693","0.0004","8.7884","0.001","90","","101.719","0.009","90","","691.4","0.12","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H14 F N O4 -","- C15 H14 F N O4 -","- C30 H28 F2 N2 O8 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.107","0.0484","","","0.0936","0.1149","","","","","","0.84","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035843","17.576","0.005","6.016","0.003","15.422","0.005","90","","103.26","0.03","90","","1587.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.3019","0.0972","","","0.1902","0.2669","","","","","","0.792","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035844","12.0094","0.0017","9.0315","0.0011","59.748","0.006","90","","90","","90","","6480.4","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C288 H304 N16 O64 -","16","2","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.2183","0.09","","","0.2084","0.2593","","","","","","1.014","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035845","12.141","0.003","12.9427","0.0019","8.5151","0.0019","90","","109.14","0.03","90","","1264.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1991","0.0566","","","0.1002","0.1338","","","","","","0.798","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035846","10.874","0.002","8.3249","0.0015","19.94","0.004","90","","90","","90","","1805.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N -","- C11 H13 N -","- C88 H104 N8 -","8","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1278","0.0468","","","0.0828","0.098","","","","","","0.888","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035847","6.2978","0.0007","8.5419","0.0009","13.3191","0.0012","87.397","0.008","77.332","0.008","76.803","0.009","680.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.0571","0.0426","","","0.1057","0.1146","","","","","","0.998","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035848","6.3634","0.0016","17.543","0.007","12.5068","0.0018","90","","104.343","0.019","90","","1352.7","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.","[2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.","The Journal of organic chemistry","2018","83","12","6275","6289","10.1021/acs.joc.8b00077","","","0.71073","MoKα","","0.1353","0.0568","","","0.1046","0.1394","","","","","","0.887","","","","has coordinates","227260","2020-10-21","18:00:00",""
"4035849","12.23985","0.00013","21.8131","0.0002","14.46867","0.00014","90","","99.1751","0.001","90","","3813.55","0.07","100","0.1","100","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 -","- C58 H40 -","- C232 H160 -","4","1","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0556","0.0506","","","0.1432","0.1492","","","","","","1.037","","","","has coordinates","227261","2020-10-21","18:00:00",""
"4035850","13.5895","0.0004","11.2987","0.0003","16.7039","0.0005","90","","90.669","0.003","90","","2564.6","0.13","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C70.08 H65.5 -","- C70.074 H65.506 -","- C140.148 H131.012 -","2","0.5","","Melidonie, Jason; Liu, Junzhi; Fu, Yubin; Weigand, Jan J.; Berger, Reinhard; Feng, Xinliang","Pyrene-Fused s-Indacene.","The Journal of organic chemistry","2018","83","12","6633","6639","10.1021/acs.joc.8b00925","","x-ray","1.54184","CuKα","","0.0742","0.0646","","","0.1893","0.2038","","","","","","1.045","","","","has coordinates,has disorder","227262","2020-10-21","18:00:00",""
"4035851","16.313","0.0007","11.6843","0.0005","9.3275","0.0004","90","","122.965","0.003","90","","1491.64","0.12","200","1","200","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H13 Br N2 O3 -","- C16 H13 Br N2 O3 -","- C64 H52 Br4 N8 O12 -","4","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0708","0.0464","","","0.104","0.1246","","","","","","0.893","","","","has coordinates","227263","2020-10-21","18:00:00",""
"4035852","8.2991","0.0003","5.68602","0.00017","15.9291","0.0004","90","","103.299","0.003","90","","731.52","0.04","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N2 O3 -","- C16 H12 Br N2 O3 -","- C32 H24 Br2 N4 O6 -","2","1","","Vila, Carlos; Rostoll-Berenguer, Jaume; Sánchez-García, Rubén; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 2-Amino-1,1-diarylalkanes Bearing a Carbocyclic Ring Substituted Indole through Asymmetric Catalytic Reaction of Hydroxyindoles with Nitroalkenes.","The Journal of organic chemistry","2018","83","12","6397","6407","10.1021/acs.joc.8b00612","","","0.71073","MoKα","","0.0622","0.0414","","","0.0705","0.0802","","","","","","0.985","","","","has coordinates","227264","2020-10-21","18:00:00",""
"4035853","9.76","0.03","8.667","0.017","27.31","0.05","90.08","0.09","91.13","0.14","89.89","0.09","2310","9","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N O3 S -","- C23 H33 N O3 S -","- C92 H132 N4 O12 S4 -","4","2","","Reddy, Leleti Rajender; Kotturi, Sharadsrikar; Waman, Yogesh; Patel, Chirag; Danidharia, Megha; Shenoy, Rajesh","Asymmetric Synthesis of α-(Diarylmethyl) Alkyl Amines through Regioselective Lithiation of α-Diarylmethanes and the Diastereoselective Addition to Ellman's Imines.","The Journal of organic chemistry","2018","83","12","6573","6579","10.1021/acs.joc.8b00879","","","0.71075","MoKα","","","0.082","","","","0.2058","","","","","","0.951","","","","has coordinates","227265","2020-10-21","18:00:00",""
"4035854","9.896","0.002","12.3718","0.0016","26.501","0.003","90","","90","","90","","3244.6","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41.25 H37.5 N2.5 O5 Si1.25 -","- C39 H36 N2 O4 Si -","- C156 H144 N8 O16 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","","0.71073","MoKα","","0.1202","0.0765","","","0.1892","0.2297","","","","","","0.887","","","","has coordinates","227266","2020-10-21","18:00:00",""
"4035855","14.513","0.004","13.967","0.004","20.43","0.006","90","","95.626","0.005","90","","4121","2","293","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H40 Cl3 N3 O7 Si -","- C45 H40 Cl3 N3 O7 Si -","- C180 H160 Cl12 N12 O28 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","x-ray","0.71073","MoKα","","0.1404","0.0982","","","0.2916","0.3349","","","","","","1.02","","","","has coordinates","227267","2020-10-21","18:00:00",""
"4035856","8.71268","0.00006","16.9165","0.00012","9.2721","0.00007","90","","95.227","0.0006","90","","1360.91","0.017","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 F3 N O3 S Si -","- C9 H14 F3 N O3 S Si -","- C36 H56 F12 N4 O12 S4 Si4 -","4","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.046","0.0446","","","0.1201","0.1211","","","","","","1.03","","","","has coordinates","227268","2020-10-21","18:00:00",""
"4035857","17.105","0.0013","8.9423","0.0006","16.1115","0.0015","90","","95.622","0.007","90","","2452.5","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 F3 N O3 S -","- C9 H12 F3 N O3 S -","- C72 H96 F24 N8 O24 S8 -","8","1","","Ohta, Reiya; Matsumoto, Nao; Ueyama, Yoshifumi; Kuboki, Yuichi; Aoyama, Hiroshi; Murai, Kenichi; Arisawa, Mitsuhiro; Maegawa, Tomohiro; Fujioka, Hiromichi","Highly Discriminative and Chemoselective Deprotection/Transformations of Acetals with the Combination of Trialkylsilyl Triflate/2,4,6-Collidine.","The Journal of organic chemistry","2018","83","12","6432","6443","10.1021/acs.joc.8b00675","","","1.54184","CuKα","","0.1708","0.1461","","","0.329","0.35","","","","","","1.407","","","","has coordinates","227269","2020-10-21","18:00:00",""
"4035858","27.7776","0.0014","44.788","0.003","6.8825","0.0004","90","","90","","90","","8562.5","0.9","100","","100","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C28 H44 I2 N16 Na2 O10 -","- C28 H44 I2 N16 Na2 O10 -","- C224 H352 I16 N128 Na16 O80 -","8","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0575","0.037","","","0.0556","0.0611","","","","","","1.001","","","","has coordinates","227270","2020-10-21","18:00:00",""
"4035859","3.858","0.011","6.027","0.013","29.82","0.07","90","","93.35","0.09","90","","692","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0829","0.059","","","0.1136","0.1211","","","","","","1.117","","","","has coordinates","227271","2020-10-21","18:00:00",""
"4035860","3.9913","0.0002","6.7117","0.0003","13.3807","0.0007","90","","97.162","0.003","90","","355.65","0.03","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C12 H10 Cl2 N8 -","2","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","1.54178","CuKα","","0.085","0.0787","","","0.2115","0.2229","","","","","","1.119","","","","has coordinates,has disorder","227272","2020-10-21","18:00:00",""
"4035861","16.1345","0.0009","17.9552","0.0008","13.8025","0.0007","90","","90","","90","","3998.6","0.4","100","","100","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C28 H36 I3 N16 Na3 O6 -","- C28 H36 I3 N16 Na3 O6 -","- C112 H144 I12 N64 Na12 O24 -","4","0.5","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0288","0.0226","","","0.0513","0.0547","","","","","","1.035","","","","has coordinates","227273","2020-10-21","18:00:00",""
"4035862","8.176","0.003","12.399","0.004","7.156","0.002","90","","95.259","0.009","90","","722.4","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54178","CuKα","","0.0657","0.0545","","","0.1417","0.164","","","","","","1.126","","","","has coordinates","227274","2020-10-21","18:00:00",""
"4035863","7.008","0.008","13.971","0.015","7.564","0.009","90","","108.474","0.019","90","","702.4","1.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0587","0.0465","","","0.0982","0.1035","","","","","","1.159","","","","has coordinates,has disorder","227275","2020-10-21","18:00:00",""
"4035864","9.381","0.007","12.286","0.008","6.591","0.005","90","","93.71","0.03","90","","758.1","0.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.1309","0.0561","","","0.0972","0.1159","","","","","","0.919","","","","has coordinates","227276","2020-10-21","18:00:00",""
"4035865","3.816","0.01","13.38","0.03","14.05","0.03","90","","96.91","0.04","90","","712","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.0362","0.0289","","","0.0653","0.0683","","","","","","1.059","","","","has coordinates","227277","2020-10-21","18:00:00",""
"4035866","8.095","0.013","13.644","0.014","7.107","0.008","90","","114.09","0.04","90","","716.6","1.6","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","","1.54184","CuKα","","0.0335","0.0314","","","0.0734","0.0743","","","","","","1.071","","","","has coordinates","227278","2020-10-21","18:00:00",""
"4035867","3.8226","0.0005","7.1075","0.0012","27.806","0.004","90","","90","","90","","755.46","0.19","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.043","0.0403","","","0.1067","0.1089","","","","","","1.074","","","","has coordinates","227279","2020-10-21","18:00:00",""
"4035868","18.322","0.012","5.73","0.004","19.274","0.013","90","","108.83","0.017","90","","1915","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","","Dumonteil, Geoffrey; Bhattacharjee, Nicholus; Angelici, Gaetano; Roy, Olivier; Faure, Sophie; Jouffret, Laurent; Jolibois, Franck; Perrin, Lionel; Taillefumier, Claude","Exploring the Conformation of Mixed Cis- Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study.","The Journal of organic chemistry","2018","83","12","6382","6396","10.1021/acs.joc.8b00606","","","0.71073","MoKα","","0.181","0.0978","","","0.2205","0.2674","","","","","","1.011","","","","has coordinates","227280","2020-10-21","18:00:00",""
"4035869","21.4018","0.0011","9.5715","0.0004","19.6398","0.001","90","","110.448","0.006","90","","3769.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","D3-trishomocubane","rearranged cage ketone","","- C28 H26 O -","- C28 H26 O -","- C224 H208 O8 -","8","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.043","0.039","","","0.0931","0.0966","","","","","","1.043","","","","has coordinates","227281","2020-10-21","18:00:00",""
"4035870","7.3329","0.0005","11.999","0.0008","13.2043","0.0009","90","","97.019","0.006","90","","1153.11","0.14","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Kotha, Sambasivarao; Cheekatla, Subba Rao","Molecular Acrobatics in Polycyclic Frames: Synthesis of Functionalized D<sub>3</sub>-Trishomocubanes via the Rearrangement Approach.","The Journal of organic chemistry","2018","83","12","6315","6324","10.1021/acs.joc.8b00449","","x-ray","0.71073","MoKα","","0.0643","0.0459","","","0.1016","0.1104","","","","","","1.057","","","","has coordinates","227282","2020-10-21","18:00:00",""
"4035871","16.8592","0.0013","9.1588","0.0007","14.7664","0.0012","90","","107.041","0.001","90","","2180","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 Br5 F4 N5 -","- C14 H12 B2 Br5 F4 N5 -","- C56 H48 B8 Br20 F16 N20 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.061","0.04","","","0.0979","0.1084","","","","","","1.0245","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035872","6.275","0.005","10.748","0.008","11.424","0.009","79.967","0.009","85.892","0.009","85.819","0.01","755.3","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","- C20 H24 B2 Br5 F4 N8 -","1","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0757","0.0454","","","0.1001","0.1138","","","","","","1.0194","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035873","17.745","0.003","8.6108","0.0016","19.469","0.004","90","","110.002","0.002","90","","2795.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 B2 Br2 F4 N6 -","- C24 H27 B2 Br2 F4 N6 -","- C96 H108 B8 Br8 F16 N24 -","4","1","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0835","0.0541","","","0.1417","0.1608","","","","","","1.0419","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035874","7.097","0.002","8.061","0.003","24.763","0.008","90","","94.572","0.004","90","","1412.2","0.8","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 B2 F4 N6 -","- C26 H26 B2 F4 N6 -","- C52 H52 B4 F8 N12 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","","0.71073","MoKα","","0.1228","0.0776","","","0.1993","0.2277","","","","","","1.025","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035875","7.0907","0.001","16.573","0.002","8.3518","0.0012","90","","111.312","0.002","90","","914.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B2 F4 N4 S2 -","- C18 H12 B2 F4 N4 S2 -","- C36 H24 B4 F8 N8 S4 -","2","0.5","","Lv, Xiaokang; Li, Tingting; Wu, Qinghua; Yu, Changjiang; Jiao, Lijuan; Hao, Erhong","Polybrominated BOPHY Dyes: Synthesis, Reactivity, and Properties.","The Journal of organic chemistry","2018","83","3","1134","1145","10.1021/acs.joc.7b02415","","x-ray","0.71073","MoKα","","0.0601","0.0528","","","0.1308","0.1345","","","","","","1.112","","","","has coordinates","227283","2020-10-21","18:00:00",""
"4035876","10.4612","0.0005","11.1373","0.0004","13.829","0.0005","96.925","0.003","112.16","0.004","98.871","0.003","1445.95","0.11","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N9 O3 S2 -","- C31 H21 N9 O3 S2 -","- C62 H42 N18 O6 S4 -","2","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.0739","0.0499","","","0.1055","0.1175","","","","","","1.026","","","","has coordinates","227284","2020-10-21","18:00:00",""
"4035877","7.975","0.003","22.255","0.007","20.676","0.007","90","","98.222","0.006","90","","3632","2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N9 O8 S2 -","- C34 H31 N9 O8 S2 -","- C136 H124 N36 O32 S8 -","4","2","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","","0.71073","MoKα","","0.1196","0.097","","","0.2257","0.2462","","","","","","1.08","","","","has coordinates,has disorder","227285","2020-10-21","18:00:00",""
"4035878","23.9941","0.00019","11.7595","0.00008","24.6196","0.00016","90","","90","","90","","6946.63","0.09","173.2","0.3","173.2","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H25 N11 O7 S -","- C34 H25 N11 O7 S -","- C272 H200 N88 O56 S8 -","8","1","","Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang","Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.","The Journal of organic chemistry","2018","83","3","1502","1509","10.1021/acs.joc.7b03136","","x-ray","1.54184","CuKα","","0.0638","0.0445","","","0.1125","0.1246","","","","","","1.022","","","","has coordinates","227286","2020-10-21","18:00:00",""
"4037530","10.262","0.004","11.055","0.004","14.296","0.005","77.026","0.012","86.941","0.015","88.442","0.017","1578","1","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C39 H35 N3 O -","- C39 H35 N3 O -","- C78 H70 N6 O2 -","2","1","","Mishra, Shachi; Awasthi, Pallavi; Singh, Jagriti; Gupta, Rahul Kumar; Singh, Vikram; Kant, Ruchir; Jeet, Ram; Goswami, Debabrata; Goel, Atul","White Light Induced E/Z-Photoisomerization of Diphenylamine-Tethered Fluorescent Stilbene Derivatives: Synthesis, Photophysical, and Electrochemical Investigation.","The Journal of organic chemistry","2018","83","7","3669","3678","10.1021/acs.joc.8b00033","","","0.71075","MoKα","","0.1621","0.0607","","","0.1393","0.175","","","","","","0.861","","","","has coordinates","236284","2020-10-21","18:00:00",""
"4037531","9.761","0.003","16.583","0.005","15.105","0.006","90","","90.036","0.008","90","","2445","1.4","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.0824","0.0497","","","0.1207","0.1321","","","","","","1.029","","","","has coordinates","236286","2020-10-21","18:00:00",""
"4037532","13.235","0.005","14.871","0.004","14.848","0.005","90","","108.269","0.006","90","","2775","1.6","293","2","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 O6 -","- C30 H40 O6 -","- C120 H160 O24 -","4","1","","Vaishanv, Narendra Kumar; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Fluoride-Mediated α-Selective 1,6-Conjugate Addition of Allenic Esters to p-Quinone Methides.","The Journal of organic chemistry","2018","83","15","8759","8767","10.1021/acs.joc.8b01074","","","0.71075","MoKα","","0.1409","0.0708","","","0.1837","0.2144","","","","","","0.99","","","","has coordinates","236287","2020-10-21","18:00:00",""
"4037533","9.037","0.006","27.363","0.016","10.344","0.006","90","","100.635","0.013","90","","2514","3","293","2","293","2","","","","","","","see text","4","C 1 c 1","C -2yc","9","","","","- C26 H30 N6 O -","- C26 H30 N6 O -","- C104 H120 N24 O4 -","4","1","","Singh, Kartikey; Sharma, Gaurav; Shukla, Manjulika; Kant, Ruchir; Chopra, Sidharth; Shukla, Sanjeev K.; Tripathi, Rama P.","Metal- and Phenol-Free Synthesis of Biaryl Ethers: Access to Dibenzobistriazolo-1,4,7-oxadiazonines and Vancomycin-Like Glyco-Macrocycles as Antibacterial Agents.","The Journal of organic chemistry","2018","83","24","14882","14893","10.1021/acs.joc.8b01631","","","0.71075","MoKα","","0.1053","0.055","","","0.1253","0.1415","","","","","","0.904","","","","has coordinates","236289","2020-10-21","18:00:00",""
"4037535","14.4289","0.0012","9.7749","0.0009","35.171","0.003","90","","99.897","0.004","90","","4886.7","0.7","100","","100","","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C180 H324 N12 O36 -","12","6","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0416","0.0386","","","0.0942","0.0956","","","","","","1.052","","","","has coordinates","236293","2020-10-21","18:00:00",""
"4037536","8.262","0.0009","8.262","0.0009","27.103","0.003","90","","90","","90","","1850.1","0.4","100","","100","","","","","","","","see text","2","P 41 21 2","P 4abw 2nw","92","","","","- C20 H38 -","- C20 H38 -","- C80 H152 -","4","0.5","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0331","0.03","","","0.0804","0.082","","","","","","1.095","","","","has coordinates","236295","2020-10-21","18:00:00",""
"4037537","29.435","0.002","18.8296","0.0012","20.487","0.003","90","","132.126","0.001","90","","8421.6","1.5","100","","100","","","","","","","","see text","4","C 1 2 1","C 2y","5","","","","- C22 H29 O P -","- C22 H29 O P -","- C352 H464 O16 P16 -","16","4","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0412","0.036","","","0.08","0.0821","","","","","","1.066","","","","has coordinates","236297","2020-10-21","18:00:00",""
"4037538","12.625","0.003","18.139","0.003","27.006","0.005","90","","90","","90","","6185","2","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 O P -","- C20 H39 O P -","- C240 H468 O12 P12 -","12","3","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0483","0.0437","","","0.1085","0.1112","","","","","","1.043","","","","has coordinates,has disorder","236299","2020-10-21","18:00:00",""
"4037539","19.146","0.016","10.517","0.008","23.277","0.017","90","","90.669","0.015","90","","4687","6","293","2","293","2","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H22 F4 L N2 O -","- C25.5 H22 Cl F4 N2 O -","- C204 H176 Cl8 F32 N16 O8 -","8","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.1644","0.0845","","","0.2074","0.2435","","","","","","0.919","","","","has coordinates","236301","2020-10-21","18:00:00",""
"4037540","9.3196","0.0014","25.211","0.003","10.6153","0.0013","90","","108.592","0.015","90","","2364","0.6","293","2","293","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 F3 N2 O3 -","- C27 H23 F3 N2 O3 -","- C108 H92 F12 N8 O12 -","4","1","","Gupta, Ekta; Nair, Sindoori R.; Kant, Ruchir; Mohanan, Kishor","Additive-Free Three-Component Synthesis of Spiro-isoxazolidine-oxindoles Employing Trifluorodiazoethane.","The Journal of organic chemistry","2018","83","23","14811","14819","10.1021/acs.joc.8b02504","","","0.71075","MoKα","","0.2677","0.1063","","","0.2524","0.3931","","","","","","0.929","","","","has coordinates","236302","2020-10-21","18:00:00",""
"4037585","7.8259","0.0006","9.5135","0.0008","22.647","0.0018","90","","90","","90","","1686.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","","0.71073","MoKα","","0.035","0.0304","","","0.0758","0.0771","","","","","","1.044","","","","has coordinates","237216","2020-10-21","18:00:00",""
"4037586","7.9608","0.0008","9.005","0.0009","11.9856","0.0012","90","","105.827","0.002","90","","826.64","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C36 H50 N2 O6 S2 -","2","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","x-ray","0.71073","MoKα","","0.0478","0.0393","","","0.0827","0.0864","","","","","","1.053","","","","has coordinates","237216","2020-10-21","18:00:00",""
"4037587","9.9","0.003","34.441","0.01","9.602","0.003","90","","116.727","0.01","90","","2924.2","1.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","VCl244","","","- C33 H35 N O6 -","- C33 H35 N O6 -","- C132 H140 N4 O24 -","4","1","","Capaccio, Vito; Zielke, Katharina; Eitzinger, Andreas; Massa, Antonio; Palombi, Laura; Faust, Kirill; Waser, Mario","Asymmetric phase-transfer catalysed β-addition of isoxazolidin-5-ones to MBH carbonates.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","22","3336","3340","10.1039/C8QO01057A","","","0.71073","MoKα","","0.1712","0.0858","","","0.1442","0.1736","","","","","","1.115","","","","has coordinates","237280","2020-10-21","18:00:00",""
"4038945","13.3732","0.0007","13.3732","0.0007","10.8212","0.0007","90","","90","","120","","1676.01","0.16","150","","150","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19 -nonaene-4,5,11,12,17,18-hexol unknown solvate","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0493","0.0488","","","0.1623","0.1635","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","260362","2021-01-02","03:47:05",""
"4038957","13.1429","0.0005","7.0343","0.0003","19.6302","0.0009","90","","104.766","0.004","90","","1754.9","0.13","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C92 H64 N8 O8 -","4","1","","Vasin, V..; Popkova, Yu..; Bezrukova, Ye.V.; Razin, V.V.; Somov, N.V.","Thermal Rearrangements of 3- and 4-Pyrazoles Prepared by Reactions of 9-Diazofluoren with Methyl Tetrolate and Methyl 3-Phenylpropiolate","Russian Journal of Organic Chemistry","2018","54","8","1189","1199","10.1134/S1070428018080122","","x-ray","0.71073","MoKα","","0.1117","0.063","","","0.15","0.167","","","","","","1.023","","","","has coordinates","269573","2021-10-05","10:02:48",""
"4038959","8.571","0.0006","8.9793","0.001","12.5804","0.0011","93.285","0.008","105.762","0.007","110.957","0.008","857.21","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Vasin, V..; Popkova, Yu..; Bezrukova, Ye.V.; Razin, V.V.; Somov, N.V.","Thermal Rearrangements of 3- and 4-Pyrazoles Prepared by Reactions of 9-Diazofluoren with Methyl Tetrolate and Methyl 3-Phenylpropiolate","Russian Journal of Organic Chemistry","2018","54","8","1189","1199","10.1134/S1070428018080122","","x-ray","0.71073","MoKα","","0.0535","0.0423","","","0.1228","0.1289","","","","","","1.095","","","","has coordinates","269575","2021-10-05","10:03:19",""
"4038960","12.653","0.002","7.2325","0.0005","23.507","0.004","90","","132.96","0.03","90","","1574.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Vasin, V.A.; Razin, V.V.; Bezrukova, E.V.; Popkova, Yu.A.; Somov, N.V.","Rearrangements of 3H-PyrazolesAdducts of Dimethyl Acetylenedicarboxylate with Diphenyldiazomethane and 9-Diazofluorene","Russian Journal of Organic Chemistry","2018","54","6","892","900","10.1134/S1070428018060118","","x-ray","0.71073","MoKα","","0.0628","0.0457","","","0.1124","0.1206","","","","","","1.025","","","","has coordinates","269576","2021-10-05","10:03:43",""
"4038961","9.2729","0.0002","21.0531","0.0003","9.4763","0.0002","90","","102.771","0.002","90","","1804.23","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 S -","- C22 H16 N2 O2 S -","- C88 H64 N8 O8 S4 -","4","1","","Vasin, V..; Popkova, Yu..; Bezrukova, Ye.V.; Razin, V.V.; Somov, N.V.","Thermal Rearrangements of 3- and 4-Pyrazoles Prepared by Reactions of 9-Diazofluoren with Methyl Tetrolate and Methyl 3-Phenylpropiolate","Russian Journal of Organic Chemistry","2018","54","8","1189","1199","10.1134/S1070428018080122","","","0.71073","MoKα","","0.0585","0.0516","","","0.1317","0.1367","","","","","","1.127","","","","has coordinates","269577","2021-10-05","10:04:00",""
"4038962","7.9431","0.0003","20.4568","0.0005","9.2357","0.0003","90","","111.382","0.004","90","","1397.42","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Vasin, V..; Popkova, Yu..; Bezrukova, Ye.V.; Razin, V.V.; Somov, N.V.","Thermal Rearrangements of 3- and 4-Pyrazoles Prepared by Reactions of 9-Diazofluoren with Methyl Tetrolate and Methyl 3-Phenylpropiolate","Russian Journal of Organic Chemistry","2018","54","8","1189","1199","10.1134/S1070428018080122","","x-ray","0.71073","MoKα","","0.0718","0.0532","","","0.1253","0.1358","","","","","","1.07","","","","has coordinates","269578","2021-10-05","10:04:21",""
"4038964","9.6641","0.0004","10.3573","0.0004","10.5328","0.0005","117.634","0.004","110.058","0.004","94.538","0.003","840.65","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","","Vasin, V.A.; Razin, V.V.; Bezrukova, E.V.; Popkova, Yu.A.; Somov, N.V.","Rearrangements of 3H-PyrazolesAdducts of Dimethyl Acetylenedicarboxylate with Diphenyldiazomethane and 9-Diazofluorene","Russian Journal of Organic Chemistry","2018","54","6","892","900","10.1134/S1070428018060118","","x-ray","0.71073","MoKα","","0.0745","0.0494","","","0.1399","0.1509","","","","","","1.069","","","","has coordinates,has disorder","269584","2021-10-05","10:47:40",""
"4126959","7.0949","0.0004","16.1951","0.0009","16.9526","0.0009","104.009","0.003","92.325","0.003","93.65","0.003","1882.97","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2RAD72","fischer05","","- C49 H32 Br2 S -","- C49 H32 Br2 S -","- C98 H64 Br4 S2 -","2","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.0706","0.052","","","0.1274","0.136","","","","","","1.027","","","","has coordinates","204699","2020-10-21","18:00:00",""
"4126960","7.8289","0.0005","24.8954","0.0018","31.81","0.002","90","","90","","90","","6199.9","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RAD_OChevron","SVK3_171","","- C42 H24 Br2 O -","- C42 H24 Br2 O -","- C336 H192 Br16 O8 -","8","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.1384","0.0655","","","0.1404","0.1738","","","","","","1.007","","","","has coordinates","204700","2020-10-21","18:00:00",""
"4126961","9.1436","0.0006","13.3703","0.0008","14.1905","0.0008","93.985","0.002","92.921","0.003","94.285","0.003","1723.04","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2RAD_185","fischer08","","- C43 H26 Br2 Cl3 N -","- C43 H26 Br2 Cl3 N -","- C86 H52 Br4 Cl6 N2 -","2","1","","Durr, Rebecca A.; Haberer, Danny; Lee, Yea-Lee; Blackwell, Raymond; Kalayjian, Alin Miksi; Marangoni, Tomas; Ihm, Jisoon; Louie, Steven G.; Fischer, Felix R.","Orbitally Matched Edge-Doping in Graphene Nanoribbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11886","","","0.71073","MoKα","","0.0329","0.0272","","","0.0658","0.0683","","","","","","1.038","","","","has coordinates,has disorder","204701","2020-10-21","18:00:00",""
"4126972","13.229","0.004","15.391","0.004","15.919","0.005","90","","108.822","0.004","90","","3067.9","1.6","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 B2 Cl N16 O2 Ru2 -","- C23 H26 B2 Cl N16 O2 Ru2 -","- C92 H104 B8 Cl4 N64 O8 Ru8 -","4","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.1355","0.0812","","","0.0993","0.1186","","","","","","1.113","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126973","12.4007","0.0017","13.4241","0.0019","14.8306","0.0019","68.257","0.005","81.592","0.007","85.433","0.007","2267.7","0.5","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H31 B4 Cl F8 N17 O2 Ru2 -","- C28 H31 B4 Cl F8 N17 O2 Ru2 -","- C56 H62 B8 Cl2 F16 N34 O4 Ru4 -","2","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.0444","0.0327","","","0.0809","0.0857","","","","","","1.048","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126974","10.964","0.003","12.75","0.004","14.685","0.004","80.982","0.011","76.4919","0.001","83.156","0.011","1964.1","1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H41 B3 Cl F4 N15 O3 Ru2 -","- C27 H41 B3 Cl F4 N15 O3 Ru2 -","- C54 H82 B6 Cl2 F8 N30 O6 Ru4 -","2","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.1061","0.0636","","","0.101","0.1246","","","","","","1.089","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126975","8.5123","0.0015","26.917","0.005","14.967","0.003","90","","91.317","0.002","90","","3428.4","1.1","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B3 Cl F4 N17 Ru2 -","- C25 H29 B3 Cl F4 N17 Ru2 -","- C100 H116 B12 Cl4 F16 N68 Ru8 -","4","1","","Arikawa, Yasuhiro; Otsubo, Yuji; Fujino, Hiroki; Horiuchi, Shinnosuke; Sakuda, Eri; Umakoshi, Keisuke","Nitrite Reduction Cycle on a Dinuclear Ruthenium Complex Producing Ammonia.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12020","","","0.71075","MoKα","","0.0589","0.0455","","","0.0786","0.0841","","","","","","1.098","","","","has coordinates","204712","2020-10-21","18:00:00",""
"4126976","11.246","0.0005","10.5505","0.0005","13.9596","0.0007","90","","100.824","0.0009","90","","1626.85","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","sxx-2-29","","","- C15 H22 Br N O3 -","- C15 H22 Br N O3 -","- C60 H88 Br4 N4 O12 -","4","2","","Li, Kangnan; Shao, Xinxin; Tseng, Luke; Malcolmson, Steven J.","2-Azadienes as Reagents for Preparing Chiral Amines: Synthesis of 1,2-Amino Tertiary Alcohols by Cu-Catalyzed Enantioselective Reductive Couplings with Ketones.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12213","","","0.71073","MoKα","","0.0352","0.0274","","","0.0571","0.0592","","","","","","1.012","","","","has coordinates","204758","2020-10-21","18:00:00",""
"4126980","14.77","0.0001","14.9334","0.0001","14.9133","0.0001","90","","104.382","0.0004","90","","3186.29","0.04","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 N5 S2 Zn -","- C39 H29 N5 S2 Zn -","- C156 H116 N20 S8 Zn4 -","4","1","","Leary, Edmund; Roche, Cécile; Jiang, Hua-Wei; Grace, Iain; González, M Teresa; Rubio-Bollinger, Gabino; Romero-Muñiz, Carlos; Xiong, Yaoyao; Al-Galiby, Qusiy; Noori, Mohammed; Lebedeva, Maria A.; Porfyrakis, Kyriakos; Agrait, Nicolás; Hodgson, Andrew; Higgins, Simon J.; Lambert, Colin J.; Anderson, Harry L.; Nichols, Richard J.","Detecting Mechanochemical Atropisomerization within an STM Break Junction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b10542","","","0.71073","MoKα","","0.0432","0.0382","","0.0985","0.0942","0.0985","","","","","","0.9237","","","","has coordinates","204762","2020-10-21","18:00:00",""
"4126981","9.4418","0.0003","9.9431","0.0002","10.0828","0.0002","86.5863","0.0008","63.7872","0.0008","75.1739","0.0009","819.4","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 B N O2 -","- C18 H24 B N O2 -","- C36 H48 B2 N2 O4 -","2","1","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.0618","0.0467","","","0.1139","0.1264","","","","","","1.051","","","","has coordinates","204763","2020-10-21","18:00:00",""
"4126982","14.3752","0.0009","8.7993","0.0006","15.8616","0.0012","90","","111.282","0.002","90","","1869.5","0.2","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C15 H22 F3 N2 O3 P S -","- C15 H22 F3 N2 O3 P S -","- C60 H88 F12 N8 O12 P4 S4 -","4","2","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.1572","0.071","","","0.1052","0.132","","","","","","1.035","","","","has coordinates","204764","2020-10-21","18:00:00",""
"4126983","24.0142","0.0012","6.6165","0.0003","12.7599","0.0007","90","","90","","90","","2027.42","0.18","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C17 H22 B F3 N2 O5 S -","- C17 H22 B F3 N2 O5 S -","- C68 H88 B4 F12 N8 O20 S4 -","4","1","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.113","0.0656","","","0.1008","0.1189","","","","","","1.075","","","","has coordinates","204765","2020-10-21","18:00:00",""
"4126984","9.6684","0.0004","10.1429","0.0004","14.6746","0.0007","103.701","0.0019","104.597","0.002","94.841","0.002","1337.02","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H16 B Cl2 N O2 -","- C11 H16 B Cl2 N O2 -","- C44 H64 B4 Cl8 N4 O8 -","4","2","","Rao, Bin; Chong, Che Chang; Kinjo, Rei","Metal-Free Regio- and Chemoselective Hydroboration of Pyridines Catalyzed by 1,3,2-Diazaphosphenium Triflate","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09754","","","0.71073","MoKα","","0.1249","0.095","","","0.1882","0.2017","","","","","","1.276","","","","has coordinates","204766","2020-10-21","18:00:00",""
"4126985","16.091","0.002","52.777","0.008","19.124","0.003","90","","113.774","0.003","90","","14863","4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C148 H126 Co N6 O18 P14 -","- C148 H126 Co N6 O18 P14 -","- C592 H504 Co4 N24 O72 P56 -","4","1","","Stauber, Julia M.; Zhang, Shiyu; Gvozdik, Nataliya; Jiang, Yanfeng; Avena, Laura; Stevenson, Keith J.; Cummins, Christopher C.","Cobalt and Vanadium Trimetaphosphate Polyanions: Synthesis, Characterization, and Electrochemical Evaluation for Non-aqueous Redox-Flow Battery Applications.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b08751","","","0.71073","MoKα","","0.068","0.052","","","0.1113","0.1172","","","","","","1.142","","","","has coordinates,has disorder","204767","2020-10-21","18:00:00",""
"4127006","8.1493","0.0003","11.61","0.0004","16.2904","0.0006","85.361","0.0012","89.388","0.0012","85.8876","0.0014","1532.27","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","2","","Gan, Pei; Pitzen, Jennifer; Qu, Pei; Snyder, Scott A.","Total Synthesis of the Caged Indole Alkaloid Arboridinine Enabled by aza-Prins and Metal-Mediated Cyclizations.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b07724","","","1.54178","CuKα","","0.0483","0.0398","","","0.1002","0.1095","","","","","","1.045","","","","has coordinates","205001","2020-10-21","18:00:00",""
"4127007","10.7605","0.0005","11.0783","0.0004","12.4037","0.0005","90","","93.395","0.001","90","","1476.03","0.11","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Gan, Pei; Pitzen, Jennifer; Qu, Pei; Snyder, Scott A.","Total Synthesis of the Caged Indole Alkaloid Arboridinine Enabled by aza-Prins and Metal-Mediated Cyclizations.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b07724","","","0.71073","MoKα","","0.054","0.0365","","","0.0817","0.0886","","","","","","1.041","","","","has coordinates","205002","2020-10-21","18:00:00",""
"4127015","23.5545","0.0007","6.98845","0.00019","11.5542","0.0003","90","","90","","90","","1901.93","0.09","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H22 B20 S2 -","- C4 H22 B20 S2 -","- C16 H88 B80 S8 -","4","1","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1206","0.122","","","","","","1.043","","","","has coordinates","205088","2020-10-21","18:00:00",""
"4127016","6.7331","0.0001","26.9421","0.0004","7.5727","0.0001","90","","90","","90","","1373.72","0.03","200","0.1","200","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C4 H13 Ag2 B10 N S2 -","- C4 H13 Ag2 B10 N S2 -","- C16 H52 Ag8 B40 N4 S8 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0354","0.0326","","","0.088","0.0901","","","","","","1.045","","","","has coordinates,has disorder","205089","2020-10-21","18:00:00",""
"4127017","27.1757","0.0003","27.1757","0.0003","26.6358","0.0005","90","","90","","90","","19671","0.5","150","0.1","150","0.1","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C76 H108 Ag14 B60 N8 S12 -","- C76 H108 Ag14 B60 N8 S12 -","- C304 H432 Ag56 B240 N32 S48 -","4","","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0792","0.0644","","","0.1984","0.2099","","","","","","0.996","","","","has coordinates,has disorder","205090","2020-10-21","18:00:00",""
"4127018","18.37789","0.00016","25.1011","0.0002","28.6642","0.0003","90","","90","","90","","13222.9","0.2","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C63 H122 Ag14 B60 Cl6 N8 S12 -","- C252 H488 Ag56 B240 Cl24 N32 S48 -","4","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0474","0.0453","","","0.1149","0.1163","","","","","","1.112","","","","has coordinates","205091","2020-10-21","18:00:00",""
"4127019","15.7244","0.0002","15.7244","0.0002","21.469","0.0004","90","","90","","90","","5308.36","0.14","150","0.1","150","0.1","","","","","","","","6","I 4/m","-I 4","87","","","","- C52 H100 Ag14 B60 N8 S12 -","- C52 H100 Ag14 B60 N8 S12 -","- C104 H200 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0532","0.0466","","","0.1262","0.131","","","","","","1.113","","","","has coordinates,has disorder","205092","2020-10-21","18:00:00",""
"4127020","15.3002","0.00012","15.3002","0.00012","42.667","0.0004","90","","90","","120","","8650.02","0.13","150","0.1","150","0.1","","","","","","","","7","P 32","P 32","145","","","","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C44 H104.5 Ag14 B60 N14.5 O3 S12 -","- C132 H313.5 Ag42 B180 N43.5 O9 S36 -","3","1","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0372","0.0357","","","0.0973","0.0983","","","","","","1.029","","","","has coordinates,has disorder","205093","2020-10-21","18:00:00",""
"4127021","14.7109","0.0009","14.8752","0.0006","15.142","0.0009","84.784","0.004","60.966","0.006","84.106","0.004","2878.6","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H96 Ag14 B60 N12 S12 -","- C36 H96 Ag14 B60 N12 S12 -","- C36 H96 Ag14 B60 N12 S12 -","1","0.5","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0918","0.0826","","","0.2236","0.2364","","","","","","1.045","","","","has coordinates,has disorder","205094","2020-10-21","18:00:00",""
"4127022","22.3664","0.0004","19.6548","0.0003","19.5374","0.0003","90","","111.905","0.002","90","","7968.7","0.3","150","0.1","150","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H88 Ag14 B60 N12 S12 -","- C40 H88 Ag14 B60 N12 S12 -","- C80 H176 Ag28 B120 N24 S24 -","2","0.25","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0732","0.0693","","","0.1901","0.193","","","","","","1.047","","","","has coordinates,has disorder","205095","2020-10-21","18:00:00",""
"4127023","22.9804","0.0003","22.9804","0.0003","20.1589","0.0004","90","","90","","90","","10645.9","0.3","270","0.1","270","0.1","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C52 H92 Ag14 B60 N8 S12 -","- C52 H92 Ag14 B60 N8 S12 -","- C104 H184 Ag28 B120 N16 S24 -","2","0.125","","Wang, Zhao-Yang; Wang, Meng-Qi; Li, Yan-Ling; Luo, Peng; Jia, Tong-Tong; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Atomically Precise Site-Specific Tailoring and Directional Assembly of Superatomic Silver Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11338","","x-ray","1.54184","CuKα","","0.0755","0.0686","","","0.2279","0.2359","","","","","","1.099","","","","has coordinates,has disorder","205096","2020-10-21","18:00:00",""
"4127024","7.4813","0.0014","8.743","0.0016","9.9454","0.0018","104.663","0.002","94.77","0.002","91.695","0.002","626.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","MRP2046","MRP2046","","- C13 H14 Br N3 -","- C13 H14 Br N3 -","- C26 H28 Br2 N6 -","2","1","","Porter, Matthew R.; Shaker, Rami M.; Calcanas, Cristian; Topczewski, Joseph J.","Stereoselective Dynamic Cyclization of Allylic Azides: Synthesis of Tetralins, Chromanes, and Tetrahydroquinolines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11299","","","0.71073","MoKα","","0.0331","0.0258","","","0.0583","0.0607","","","","","","1.025","","","","has coordinates","205097","2020-10-21","18:00:00",""
"4127035","7.3251","0.0005","15.5411","0.0009","21.9323","0.0013","90","","97.299","0.004","90","","2476.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Fe N3 O -","- C29 H33 Fe N3 O -","- C116 H132 Fe4 N12 O4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0897","0.046","","","0.0851","0.1018","","","","","","1.019","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127036","7.3957","0.0007","13.6493","0.0013","14.1277","0.0012","62.554","0.004","78.316","0.004","89.506","0.004","1233.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N3 O Ru -","- C29 H33 N3 O Ru -","- C58 H66 N6 O2 Ru2 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0968","0.0532","","","0.0858","0.1019","","","","","","1.012","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127037","10.2644","0.0008","11.3701","0.0007","14.0186","0.001","75.816","0.003","73.171","0.004","89.508","0.004","1514.83","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H42 N4 Ru -","- C33 H42 N4 Ru -","- C66 H84 N8 Ru2 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1912","0.0793","","","0.152","0.2174","","","","","","0.956","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127038","11.1306","0.0007","14.172","0.001","18.7468","0.0013","76.008","0.003","77.143","0.003","86.82","0.003","2797.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H79 B Fe N4 O2 -","- C65 H79 B Fe N4 O2 -","- C130 H158 B2 Fe2 N8 O4 -","2","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1381","0.0898","","","0.2086","0.2648","","","","","","1.098","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127039","14.2636","0.0008","13.1137","0.0008","16.3193","0.0007","90","","107.924","0.003","90","","2904.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Fe N4 -","- C33 H42 Fe N4 -","- C132 H168 Fe4 N16 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.0767","0.0438","","","0.0897","0.1021","","","","","","1.003","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127040","29.871","0.004","11.5282","0.0013","17.593","0.002","90","","96.648","0.004","90","","6017.6","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Fe N4 -","- C33 H42 Fe N4 -","- C264 H336 Fe8 N32 -","8","2","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.2291","0.0882","","","0.1444","0.1835","","","","","","1.012","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127041","30.442","0.0011","11.6192","0.0004","17.6396","0.0006","90","","99.271","0.002","90","","6157.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N4 Ru -","- C33 H42 N4 Ru -","- C264 H336 N32 Ru8 -","8","2","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1515","0.0635","","","0.1013","0.1276","","","","","","0.995","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127042","8.9492","0.0006","26.3473","0.0019","20.6647","0.0013","90","","90.222","0.003","90","","4872.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 B N4 Ru -","- C57 H63 B N4 Ru -","- C228 H252 B4 N16 Ru4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.1522","0.0608","","","0.0943","0.1195","","","","","","0.982","","","","has coordinates","205273","2020-10-21","18:00:00",""
"4127043","16.787","0.013","10.888","0.009","14.974","0.01","90","","101.69","0.03","90","","2680","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 B Fe N3 O -","- C29 H36 B Fe N3 O -","- C116 H144 B4 Fe4 N12 O4 -","4","1","","Liang, Qiuming; Salmon, Andrew; Kim, Patrick Jinhyung; Yan, Linfan; Song, Datong","Unusual Rearrangement of an N-Donor-Functionalized N-Heterocyclic Carbene Ligand on Group 8 Metals.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13097","","","0.71073","MoKα","","0.2276","0.0758","","","0.1142","0.161","","","","","","0.998","","","","has coordinates,has disorder","205273","2020-10-21","18:00:00",""
"4127044","24.736","0.004","26.149","0.004","26.677","0.004","90","","107.65","0.005","90","","16443","4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- In16 S33 Zn4 -","- In16 S33 Zn4 -","- In64 S132 Zn16 -","4","1","","Xu, Xiaofan; Wang, Wei; Liu, Dongliang; Hu, Dandan; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Pushing up the Size Limit of Metal Chalcogenide Supertetrahedral Nanocluster","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12092","","","0.71073","MoKα","","0.0866","0.0579","","","0.1639","0.1814","","","","","","1.078","","","","has coordinates","205330","2020-10-21","18:00:00",""
"4127045","32.738","0.004","32.736","0.004","27.371","0.003","90","","119.826","0.003","90","","25448","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- In26 O S41 Zn2 en lv so t -","- In26 O S41 Zn2 -","- In208 O8 S328 Zn16 -","8","1","","Xu, Xiaofan; Wang, Wei; Liu, Dongliang; Hu, Dandan; Wu, Tao; Bu, Xianhui; Feng, Pingyun","Pushing up the Size Limit of Metal Chalcogenide Supertetrahedral Nanocluster","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12092","","","0.71073","MoKα","","0.1716","0.1039","","","0.3667","0.4151","","","","","","1.07","","","","has coordinates,has disorder","205330","2020-10-21","18:00:00",""
"4127046","12.508","0.004","13.417","0.004","16.765","0.004","93.629","0.004","91.851","0.004","116.42","0.007","2508.8","1.3","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H68 Si6 -","- C54 H68 Si6 -","- C108 H136 Si12 -","2","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.1498","0.0745","","","0.1682","0.2078","","","","","","1.02","","","","has coordinates","205331","2020-10-21","18:00:00",""
"4127047","23.036","0.005","19.079","0.003","23.557","0.003","90","","108.19","0.006","90","","9836","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H148 K2 O16 Si6 -","- C94 H146 K2 O16 Si6 -","- C376 H584 K8 O64 Si24 -","4","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71075","MoKα","","0.1567","0.0819","","","0.1914","0.243","","","","","","1.052","","","","has coordinates,has disorder","205332","2020-10-21","18:00:00",""
"4127048","14.367","0.003","15.608","0.003","16.258","0.003","108.449","0.003","100.857","0.002","109.399","0.004","3081.5","1.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H82 Si6 -","- C68 H82 Si6 -","- C136 H164 Si12 -","2","1","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.0878","0.0573","","","0.1604","0.1829","","","","","","1.16","","","","has coordinates","205333","2020-10-21","18:00:00",""
"4127049","9.7979","0.001","29.913","0.003","30.341","0.003","90","","90.886","0.001","90","","8891.4","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Cl4 Si3 -","- C27 H34 Cl4 Si3 -","- C324 H408 Cl48 Si36 -","12","3","","Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming","Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12163","","","0.71073","MoKα","","0.0518","0.0426","","","0.1014","0.1065","","","","","","1.042","","","","has coordinates","205334","2020-10-21","18:00:00",""
"4127050","11.935","0.002","5.9402","0.001","12.713","0.002","90","","105.332","0.007","90","","869.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C40 H40 N4 O2 S2 -","2","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0375","0.0326","","","0.0797","0.0815","","","","","","1.069","","","","has coordinates","205382","2020-10-21","18:00:00",""
"4127051","6.3339","0.0005","8.7346","0.0007","31.364","0.003","90","","90","","90","","1735.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0261","0.0256","","","0.0707","0.0711","","","","","","1.128","","","","has coordinates","205383","2020-10-21","18:00:00",""
"4127054","14.8178","0.0004","13.2109","0.0004","25.5413","0.0008","90","","106.456","0.002","90","","4795.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 F6 N O6 S -","- C22 H19 F6 N O6 S -","- C176 H152 F48 N8 O48 S8 -","8","1","","Chen, Chaohuang; Luo, Yixin; Fu, Liang; Chen, Pinhong; Lan, Yu; Liu, Guosheng","Palladium-Catalyzed Intermolecular Ditrifluoromethoxylation of Unactivated Alkenes: CF3O-Palladation Initiated by Pd(IV).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11470","","","0.71073","MoKα","","0.0814","0.0731","","","0.205","0.2135","","","","","","1.053","","","","has coordinates,has disorder","205418","2020-10-21","18:00:00",""
"4127055","10.993","0.002","9.035","0.003","13.737","0.004","90","","109.866","0.007","90","","1283.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","2","","Meza, Arismel Tena; Wurm, Thomas; Smith, Lewis; Kim, Seung Wook; Zbieg, Jason R.; Stivala, Craig E.; Krische, Michael J.","Amphiphilic π-Allyliridium C,O-Benzoates Enable Regio- and Enantioselective Amination of Branched Allylic Acetates Bearing Linear Alkyl Groups","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13482","","","0.71073","MoKα","","0.0533","0.0451","","","0.1108","0.116","","","","","","1.038","","","","has coordinates","205419","2020-10-21","18:00:00",""
"4127056","11.1563","0.0005","7.4956","0.0003","25.0848","0.0011","90","","97.112","0.002","90","","2081.53","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Br I O4 -","- C19 H24 Br I O4 -","- C76 H96 Br4 I4 O16 -","4","2","","Manoni, Francesco; Rumo, Corentin; Li, Liubo; Harran, Patrick G.","Unconventional fragment usage enables a concise total synthesis of (-)-callyspongiolide.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13591","","","0.71073","MoKα","","0.0386","0.026","","","0.0524","0.0549","","","","","","1.019","","","","has coordinates","205420","2020-10-21","18:00:00",""
"4127057","7.3033","0.0006","7.3319","0.0005","33.937","0.003","90","","90","","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Wei, Liang; Zhu, Qiao; Xu, Shi-Ming; Chang, Xin; Wang, Chun-Jiang","Stereodivergent Synthesis of α,α-Disubstituted α-Amino Acids via Synergistic Cu/Ir Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12174","","","0.71073","MoKα","","0.0506","0.0395","","","0.0892","0.0948","","","","","","1.053","","","","has coordinates","205452","2020-10-21","18:00:00",""
"4127058","11.5444","0.0005","16.0589","0.0007","26.8374","0.0014","95.114","0.003","92.97","0.003","90.036","0.003","4948.9","0.4","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","compound8","compound8","","- C54 H59 Cl2 O2 P2 Rh Si -","- C54 H59 Cl2 O2 P2 Rh Si -","- C216 H236 Cl8 O8 P8 Rh4 Si4 -","4","2","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","1.54178","CuKα","","0.1193","0.1059","","","0.2772","0.2935","","","","","","1.087","","","","has coordinates","205453","2020-10-21","18:00:00",""
"4127059","17.6304","0.0006","18.1797","0.0006","18.7127","0.0006","90","","96.862","0.001","90","","5954.7","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compound9","compound9","","- C78 H64 O2 P4 Rh -","- C78 H64 O2 P4 Rh -","- C312 H256 O8 P16 Rh4 -","4","0.5","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","0.71073","MoKα","","0.0676","0.0452","","","0.099","0.1098","","","","","","1.0342","","","","has coordinates","205454","2020-10-21","18:00:00",""
"4127060","6.5555","0.0003","7.2872","0.0003","17.9836","0.0007","88.767","0.002","87.077","0.002","88.171","0.002","857.37","0.06","100","2","100","2","","","","","","","","4","P 1","P 1","1","none","Compound5t","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C36 H50 N2 O10 -","2","2","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","1.54178","CuKα","","0.0464","0.0403","","","0.1077","0.112","","","","","","1.011","","","","has coordinates","205455","2020-10-21","18:00:00",""
"4127061","18.4691","0.0015","13.1762","0.001","25.638","0.002","90","","95.478","0.004","90","","6210.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound11","Compound11","","- C66 H73 O2 P2 Rh Si -","- C66 H73 O2 P2 Rh Si -","- C264 H292 O8 P8 Rh4 Si4 -","4","1","","Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.","Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11964","","","0.71073","MoKα","","0.0531","0.0418","","","0.1018","0.1088","","","","","","1.045","","","","has coordinates","205456","2020-10-21","18:00:00",""
"4127062","17.207","0.005","24.701","0.005","55.119","0.005","90","0.005","90","0.005","90","0.005","23427","9","180","2","180","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C24 H35.5 Br2 Cu N7 O1.5 -","- C24 H35.5 Br2 Cu N7 O1.5 -","- C768 H1136 Br64 Cu32 N224 O48 -","32","","","Ribelli, Thomas G.; Fantin, Marco; Daran, Jean-Claude; Augustine, Kyle F.; Poli, Rinaldo; Matyjaszewski, Krzysztof","Synthesis and Characterization of the Most Active Copper ATRP Catalyst Based on Tris[(4-dimethylaminopyridyl)methyl]amine.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12180","","x-ray","0.71073","MoKα","","0.0632","0.0413","","","0.089","0.0947","","","","","","1.067","","","","has coordinates","205457","2020-10-21","18:00:00",""
"4127063","18.6622","0.0002","17.9481","0.0002","19.1933","0.0003","90","","102.159","0.0013","90","","6284.59","0.14","150","","150","","","","","","","","SYN","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 B F24 O P2 Rh -","- C62 H52 B F24 O P2 Rh -","- C248 H208 B4 F96 O4 P8 Rh4 -","4","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.54184","CuKα","","0.0676","0.0621","","0.1601","0.1507","0.1601","","","","","","0.9583","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127064","22.8626","0.0002","25.0729","0.0002","24.0283","0.0002","90","","106.58","0.0009","90","","13201.1","0.2","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Rh(iPrXant)(nbd)][BArF4]","","- C66 H60 B F24 O P2 Rh -","- C66 H60 B F24 O P2 Rh -","- C528 H480 B8 F192 O8 P16 Rh8 -","8","2","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.5418","CuKα","","0.0572","0.0456","","0.1222","0.1117","0.1221","","","","","","0.9798","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127065","19.3278","0.0001","13.1158","0.0001","26.1296","0.0002","90","","90","","90","","6623.84","0.08","150","","150","","","","","","","","","8","P c a 21","P 2c -2ac","29","","[Rh(iPrXant)(H)2(H3BNMe3)][BArF4]","","- C62 H66 B2 F24 N O P2 Rh -","- C62 H66 B2 F24 N O P2 Rh -","- C248 H264 B8 F96 N4 O4 P8 Rh4 -","4","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","1.5418","CuKα","","0.0409","0.04","","0.1049","0.1039","0.1048","","","","","","0.9794","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127066","10.0314","0.0003","10.5096","0.0003","12.0652","0.0004","107.493","0.0015","98.9909","0.0014","100.227","0.0013","1163.72","0.06","150","","150","","","","","","","","SYN","6","P -1","-P 1","2","","","","- C46 H64 Cl2 O2 P4 Rh2 -","- C46 H64 Cl2 O2 P4 Rh2 -","- C46 H64 Cl2 O2 P4 Rh2 -","1","0.5","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","","0.71073","MoKα","","0.043","0.0336","","0.085","0.0748","0.085","","","","","","0.9243","","","","has coordinates","205502","2020-10-21","18:00:00",""
"4127067","11.9582","0.0005","14.5158","0.0004","13.0659","0.0005","90","","113.521","0.004","90","","2079.58","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H55 F2 O P2 Rh -","- C45 H55 F2 O P2 Rh -","- C90 H110 F4 O2 P4 Rh2 -","2","0.5","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","x-ray","1.54184","CuKα","","0.0302","0.028","","","0.0716","0.073","","","","","","1.058","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127068","14.1034","0.0004","14.4749","0.0009","23.9437","0.001","82.527","0.004","85.664","0.003","83.694","0.003","4807.8","0.4","150","0.4","150","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C89 H92 B2 Cl10 O2 P4 Rh2 -","- C89 H92 B2 Cl10 O2 P4 Rh2 -","- C178 H184 B4 Cl20 O4 P8 Rh4 -","2","1","","Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.","Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11975","","x-ray","1.54184","CuKα","","0.1125","0.0787","","","0.1904","0.2255","","","","","","1.023","","","","has coordinates,has disorder","205502","2020-10-21","18:00:00",""
"4127069","15.6607","0.0004","14.8784","0.0005","36.9796","0.0012","90","","90","","90","","8616.5","0.5","100","2","100","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C31 H61 B3 Cl2 Ge N O P2 Si2 -","- C248 H488 B24 Cl16 Ge8 N8 O8 P16 Si16 -","8","2","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.0672","0.0436","","","0.0834","0.0941","","","","","","1.017","","","","has coordinates,has disorder","205503","2020-10-21","18:00:00",""
"4127070","9.8778","0.0004","31.5436","0.0012","12.5366","0.0004","90","","111.393","0.0014","90","","3637","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H58 B3 N O P2 Si2 -","- C28 H58 B3 N O P2 Si2 -","- C112 H232 B12 N4 O4 P8 Si8 -","4","1","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.0952","0.0798","","","0.211","0.2335","","","","","","1.038","","","","has coordinates","205504","2020-10-21","18:00:00",""
"4127071","14.3206","0.0003","15.7507","0.0003","38.5776","0.0006","90","","90","","90","","8701.5","0.3","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C63 H124 B6 Br4 N2 O2 P4 Si4 Zn2 -","- C252 H496 B24 Br16 N8 O8 P16 Si16 Zn8 -","4","0.5","","Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei","A Boron Analogue of Vinylidene Dication Supported by Phosphines.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13068","","","0.71073","MoKα","","0.1089","0.0571","","","0.1418","0.1672","","","","","","1.041","","","","has coordinates,has disorder","205505","2020-10-21","18:00:00",""
"4127072","11.408","0.002","12.659","0.003","15.269","0.003","90","","90","","90","","2205.1","0.8","173.15","","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C19 H22 Co N4 Na O4 -","- C19 H22 Co N4 Na O4 -","- C76 H88 Co4 N16 Na4 O16 -","4","0.5","","Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian","Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00032","","","0.71073","MoKα","","0.0452","0.0438","","","0.1177","0.1187","","","","","","1.18","","","","has coordinates,has disorder","205577","2020-10-21","18:00:00",""
"4127073","14.3649","0.0014","10.2878","0.0007","19.8168","0.0016","90","","102.493","0.009","90","","2859.2","0.4","178.2","0.9","178.2","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H36 Co N4 Na O5.5 -","- C23.5 H36 Co N4 Na O5.5 -","- C94 H144 Co4 N16 Na4 O22 -","4","1","","Du, Hao-Yi; Chen, Si-Cong; Su, Xiao-Jun; Jiao, Lei; Zhang, Ming-Tian","Redox-Active Ligand Assisted Multielectron Catalysis: A Case of CoIII Complex as Water Oxidation Catalyst.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00032","","x-ray","1.54184","CuKα","","0.1041","0.0746","","","0.1752","0.1985","","","","","","1.049","","","","has coordinates","205578","2020-10-21","18:00:00",""
"4127074","11.0709","0.0013","17.884","0.002","23.464","0.003","90","","90","","90","","4645.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H58 Cl2 N4 Ru -","- C54 H58 Cl2 N4 Ru -","- C216 H232 Cl8 N16 Ru4 -","4","1","","Higman, Carolyn S.; do Nascimento, Daniel Luis; Ireland, Benjamin J.; Audörsch, Stephan; Bailey, Gwendolyn A.; McDonald, Robert; Fogg, Deryn Elizabeth","Chelate-Assisted Ring-Closing Metathesis: A Strategy for Accelerated Macrocyclization at Ambient Temperatures.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13257","","","0.71073","MoKα","","0.0772","0.0587","","","0.1477","0.1597","","","","","","1.084","","","","has coordinates,has disorder","205579","2020-10-21","18:00:00",""
"4127075","22.803","0.002","8.0763","0.0008","13.3188","0.0014","90","","117.96","0.003","90","","2166.5","0.4","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C22 H20 Br Cl F3 N O3 -","- C22 H20 Br Cl F3 N O3 -","- C88 H80 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0524","0.0357","","","0.0787","0.0871","","","","","","1.055","","","","has coordinates","205580","2020-10-21","18:00:00",""
"4127076","11.6781","0.0004","13.5026","0.0004","15.291","0.0005","90","","90","","90","","2411.16","0.13","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br Cl F3 N O3 -","- C24 H24 Br Cl F3 N O3 -","- C96 H96 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0477","0.0329","","","0.0728","0.0793","","","","","","1.018","","","","has coordinates","205581","2020-10-21","18:00:00",""
"4127077","10.5499","0.0006","19.6382","0.0011","11.6438","0.0006","90","","96.629","0.002","90","","2396.2","0.2","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H22 Br F3 N2 O5 -","- C23 H22 Br F3 N2 O5 -","- C92 H88 Br4 F12 N8 O20 -","4","2","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.071","0.0453","","","0.0999","0.1123","","","","","","1.016","","","","has coordinates","205582","2020-10-21","18:00:00",""
"4127078","37.277","0.003","38.673","0.003","27.0826","0.0019","90","","126.895","0.001","90","","31224","4","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C450 H480 Ag52 Mo15 O60 P20 S26 -","- C450 H480 Ag52 Mo15 O60 P20 S26 -","- C900 H960 Ag104 Mo30 O120 P40 S52 -","2","0.25","","Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anisotropic Assembly of Ag52 and Ag76 Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12777","","","0.71073","MoKα","","0.1845","0.1286","","","0.3274","0.369","","","","","","1.045","","","","has coordinates,has disorder","205583","2020-10-21","18:00:00",""
"4127079","25.27","0.0012","25.27","0.0012","54.323","0.003","90","","90","","90","","34689","3","100","2","100","2","","","","","","","","8","I -4","I -4","82","","","","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C412 H404 Ag76 Mo28 N4 O152 P16 S28 -","- C824 H808 Ag152 Mo56 N8 O304 P32 S56 -","2","0.25","","Liu, Jia-Wei; Feng, Lei; Su, Hai-Feng; Wang, Zhi; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Anisotropic Assembly of Ag52 and Ag76 Nanoclusters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12777","","","0.71073","MoKα","","0.0337","0.0271","","","0.0632","0.0668","","","","","","1.027","","","","has coordinates,has disorder","205583","2020-10-21","18:00:00",""
"4127080","21.64","0.002","21.64","0.002","6.7928","0.0008","90","","90","","120","","2754.8","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)(CO2)1.26","","","- C15.23 H6 O8.46 Zn2 -","- C15.262 H6 O8.524 Zn2 -","- C45.786 H18 O25.572 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0356","0.0307","","","0.07","0.0719","","","","","","1.108","","","","has coordinates,has disorder","205584","2020-10-21","18:00:00",""
"4127081","21.657","0.002","21.657","0.002","6.7666","0.0007","90","","90","","120","","2748.5","0.5","298","2","298","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Zn2(dobpdc)","","","- C14 H6 O6 Zn2 -","- C14 H6 O6 Zn2 -","- C42 H18 O18 Zn6 -","3","0.5","","Forse, Alexander C.; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Witherspoon, Velencia J.; Jawahery, Sudi; Mercado, Rocio; Milner, Phillip J.; Martell, Jeffrey D.; Smit, Berend; Blümich, Bernhard; Long, Jeffrey R.; Reimer, Jeffrey A.","Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09453","","","0.7749","synchrotron","","0.0413","0.0328","","","0.0754","0.0788","","","","","","1.098","","","","has coordinates","205585","2020-10-21","18:00:00",""
"4127082","10.2184","0.0004","12.6179","0.0004","13.4273","0.0005","97.46","0.003","104.726","0.003","98.808","0.003","1628.63","0.11","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C72 H98 Br2 N2 O6 -","- C72 H98 Br2 N2 O6 -","- C72 H98 Br2 N2 O6 -","1","0.5","","Leventis, Anastasia; Royakkers, Jeroen; Rapidis, Alexandros G.; Goodeal, Niall; Corpinot, Merina K.; Frost, Jarvist M.; Bučar, Dejan-Krešimir; Blunt, Matthew Oliver; Cacialli, Franco; Bronstein, Hugo","Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13447","","","1.54184","CuKα","","0.0561","0.0495","","","0.1336","0.136","","","","","","1.099","","","","has coordinates","205586","2020-10-21","18:00:00",""
"4127083","13.9883","0.0004","14.4112","0.0005","16.5507","0.0006","76.438","0.003","66.324","0.003","62.151","0.003","2697.17","0.18","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Br2 Cl9 N2 O6 -","- C49 H49 Br2 Cl9 N2 O6 -","- C98 H98 Br4 Cl18 N4 O12 -","2","1","","Leventis, Anastasia; Royakkers, Jeroen; Rapidis, Alexandros G.; Goodeal, Niall; Corpinot, Merina K.; Frost, Jarvist M.; Bučar, Dejan-Krešimir; Blunt, Matthew Oliver; Cacialli, Franco; Bronstein, Hugo","Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13447","","","1.5418","CuKα","","0.0523","0.0432","","","0.1065","0.1133","","","","","","1.048","","","","has coordinates,has disorder","205587","2020-10-21","18:00:00",""
"4127084","14.86732","0.00011","5.21106","0.00005","9.70206","0.0001","90","","90","","90","","751.662","0.012","723","","723","","","","","","","","","5","C c m 21","C 2c -2c","36","","","RbNaMgP2O7","- Mg Na O7 P2 Rb -","- Mg Na O7 P2 Rb -","- Mg4 Na4 O28 P8 Rb4 -","4","0.5","","Zhao, Sangen; Yang, Xiaoyan; Yang, Yi; Kuang, Xiaojun; Lu, Fengqi; Shan, Pai; Sun, Zhihua; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Non-Centrosymmetric RbNaMgP2O7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12518","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","205588","2020-10-21","18:00:00",""
"4127085","14.7162","0.0009","5.1614","0.0002","9.5143","0.0005","90","","90","","90","","722.67","0.06","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Mg Na O7 P2 Rb -","- Mg Na O7 P2 Rb -","- Mg4 Na4 O28 P8 Rb4 -","4","1","","Zhao, Sangen; Yang, Xiaoyan; Yang, Yi; Kuang, Xiaojun; Lu, Fengqi; Shan, Pai; Sun, Zhihua; Lin, Zheshuai; Hong, Maochun; Luo, Junhua","Non-Centrosymmetric RbNaMgP2O7 with Unprecedented Thermo-Induced Enhancement of Second Harmonic Generation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12518","","","0.71073","MoKα","","0.0331","0.0288","","","0.0646","0.0671","","","","","","1.072","","","","has coordinates","205589","2020-10-21","18:00:00",""
"4127086","13.169","0.006","13.674","0.006","14.98","0.006","90","","100.599","0.006","90","","2651","2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 N2 O3 Pd -","- C29 H34 N2 O3 Pd -","- C116 H136 N8 O12 Pd4 -","4","1","","Yasuda, Hina; Nakano, Ryo; Ito, Shingo; Nozaki, Kyoko","Palladium/IzQO-Catalyzed Coordination-Insertion Copolymerization of Ethylene and 1,1-Disubstituted Ethylenes Bearing a Polar Functional Group.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12593","","","0.71075","MoKα","","0.0623","0.0529","","","0.0915","0.0956","","","","","","1.136","","","","has coordinates","205650","2020-10-21","18:00:00",""
"4127087","6.6513","0.0004","9.3115","0.0005","24.8763","0.0013","90","","90","","90","","1540.68","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C76 H96 O8 -","- C76 H96 O8 -","- C76 H96 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0271","0.0265","","","0.0676","0.0684","","","","","","1.055","","","","has coordinates","205651","2020-10-21","18:00:00",""
"4127088","7.3044","0.0003","8.2583","0.0003","17.9776","0.0007","90","","90","","90","","1084.44","0.07","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 O8 -","- C56 H56 O8 -","- C56 H56 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0231","0.023","","","0.0586","0.0586","","","","","","1.061","","","","has coordinates","205652","2020-10-21","18:00:00",""
"4127089","7.4122","0.0002","7.4122","0.0002","19.6939","0.0006","90","","90","","90","","1082","0.05","100","2","100.02","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.032","0.0309","","","0.0786","0.0792","","","","","","1.056","","","","has coordinates","205653","2020-10-21","18:00:00",""
"4127090","5.2697","0.0003","13.1048","0.0007","10.231","0.0006","90","","94.186","0.002","90","","704.65","0.07","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O4 -","- C32 H48 O4 -","- C32 H48 O4 -","1","0.5","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0324","0.0315","","","0.0856","0.0867","","","","","","1.077","","","","has coordinates","205654","2020-10-21","18:00:00",""
"4127091","8.435","0.0005","9.5257","0.0006","17.6838","0.0012","90","","100.651","0.005","90","","1396.4","0.16","100","2","100.02","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","2","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0458","0.0368","","","0.0925","0.0995","","","","","","1.049","","","","has coordinates","205655","2020-10-21","18:00:00",""
"4127092","6.9791","0.0004","10.6982","0.0006","17.2052","0.0009","90","","90","","90","","1284.61","0.12","100","2","99.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C64 H72 O8 -","- C64 H72 O8 -","- C64 H72 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0387","0.0302","","","0.0629","0.0653","","","","","","0.98","","","","has coordinates","205656","2020-10-21","18:00:00",""
"4127093","5.7746","0.0004","10.8182","0.0007","20.824","0.0013","90","","90","","90","","1300.89","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.0254","0.0253","","","0.0647","0.0648","","","","","","1.058","","","","has coordinates","205657","2020-10-21","18:00:00",""
"4127094","20.1183","0.0006","14.0176","0.0004","19.1001","0.0006","90","","90","","90","","5386.4","0.3","100","0.1","100","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C55.5 H47.25 F12 N5.75 O2 P2 -","- C222 H189 F48 N23 O8 P8 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.1334","0.088","","","0.2059","0.2296","","","","","","1.011","","","","has coordinates,has disorder","205783","2020-10-21","18:00:00",""
"4127095","7.522","0.0003","28.664","0.0007","9.5331","0.0003","90","","90","","90","","2055.44","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H19 I N2 O -","- C26 H19 I N2 O -","- C104 H76 I4 N8 O4 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.038","0.0314","","","0.0673","0.07","","","","","","1.002","","","","has coordinates","205784","2020-10-21","18:00:00",""
"4127096","8.9865","0.0004","9.1599","0.0005","10.2998","0.0005","92.973","0.004","93.628","0.004","109.163","0.005","796.87","0.07","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br N O -","- C20 H14 Br N O -","- C40 H28 Br2 N2 O2 -","2","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0211","0.0205","","","0.051","0.0514","","","","","","1.004","","","","has coordinates","205785","2020-10-21","18:00:00",""
"4127097","6.66937","0.00016","34.1143","0.0008","6.96815","0.00015","90","","96.866","0.002","90","","1574.03","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br N O -","- C20 H14 Br N O -","- C80 H56 Br4 N4 O4 -","4","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0318","0.0262","","","0.0606","0.063","","","","","","1.003","","","","has coordinates","205786","2020-10-21","18:00:00",""
"4127098","6.67174","0.00013","39.4337","0.001","7.0432","0.0002","90","","99.304","0.003","90","","1828.63","0.08","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","2","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0461","0.0398","","","0.0992","0.1032","","","","","","1.003","","","","has coordinates","205787","2020-10-21","18:00:00",""
"4127099","7.8457","0.0007","9.6282","0.0008","16.7749","0.0013","96.028","0.007","102.045","0.007","104.758","0.007","1181.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 I N2 O2 -","- C27 H25 I N2 O2 -","- C54 H50 I2 N4 O4 -","2","1","","Wei, Peifa; Zhang, Jing-Xuan; Zhao, Zheng; Chen, Yuncong; He, Xuewen; Chen, Ming; Gong, Junyi; Sung, Herman H.-Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multiple yet Controllable Photoswitching in a Single AIEgen System.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13364","","x-ray","1.54184","CuKα","","0.0498","0.0397","","","0.0884","0.0931","","","","","","1.003","","","","has coordinates","205788","2020-10-21","18:00:00",""
"4127100","13.991","0.002","19.61","0.003","14.167","0.002","90","","99.514","0.003","90","","3833.4","1","100","2","100","2","","","","","","","dichloromethane,hexane,toluene","8","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-C,C,N-(1-(N-phenylbenzene-2-yl-(-carboximidamide)- 1,1-di(4-methoxyphenyl)-methyl)-rhodium(iii) hexaflurorantimonate(vi) dichloromethane solvate","","- C39 H42 Cl2 F6 N2 O2 Rh Sb -","- C39 H42 Cl2 F6 N2 O2 Rh Sb -","- C156 H168 Cl8 F24 N8 O8 Rh4 Sb4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0724","0.0387","","","0.0907","0.1039","","","","","","1.018","","","","has coordinates,has disorder","205915","2020-10-21","18:00:00",""
"4127101","11.506","0.006","9.469","0.005","22.8","0.012","90","","96.645","0.009","90","","2467","2","100","2","100","2","","","","","","","dichloromethane, toluene","5","P 1 21/c 1","-P 2ybc","14","","Pentamethylcyclopentadienyl-chloro-C,N-(N-phenylbenzene-2-yl-carboximidamide)- rhodium(iii) dichloromethane solvate","","- C24 H28 Cl3 N2 Rh -","- C24 H28 Cl3 N2 Rh -","- C96 H112 Cl12 N8 Rh4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0399","0.0278","","","0.0602","0.0646","","","","","","1.027","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127102","37.6824","0.0014","7.8512","0.0014","11.2312","0.0016","90","","105.473","0.009","90","","3202.3","0.8","200","2","200","2","","","","","","","hexane, ethylacetate","3","C 1 2/c 1","-C 2yc","15","","methyl (2SR,3SR)-2-(4-methoxyphenyl)-3-(4-methoxyphenyl)oxirane- 2-carboxylate","","- C18 H18 O5 -","- C18 H18 O5 -","- C144 H144 O40 -","8","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.1116","0.0878","","","0.2735","0.2854","","","","","","1.141","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127103","12.019","0.004","17.353","0.006","12.382","0.004","90","","108.324","0.007","90","","2451.5","1.4","100","2","100","2","","","","","","","dichloromethane/pentane/hexane/toluol/PhF","5","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-1,1-bis(4-dimethylamino-phenyl)-methylidenyl- dichloro-dirhodium","","- C27 H35 Cl2 N2 Rh -","- C27 H35 Cl2 N2 Rh -","- C108 H140 Cl8 N8 Rh4 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0775","0.0447","","","0.1026","0.1178","","","","","","1.015","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127104","7.2928","0.0004","15.6093","0.001","22.328","0.002","90","","98.064","0.006","90","","2516.6","0.3","100","2","100","2","","","","","","","pentane,toluene","6","P 1 21/n 1","-P 2yn","14","","pentamethylcyclopentadienyl-dichloro-4-methoxyphenyl-methoxycarbonyl- methylidenyl-iridium(iii) fluorobenzene solute","","- C26 H30 Cl2 F Ir O3 -","- C26 H30 Cl2 F Ir O3 -","- C104 H120 Cl8 F4 Ir4 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.027","0.0234","","","0.0622","0.0656","","","","","","1.084","","","","has coordinates,has disorder","205915","2020-10-21","18:00:00",""
"4127105","7.4952","0.0006","8.8229","0.0006","21.5293","0.0016","80.003","0.001","84.28","0.001","79.06","0.001","1373.34","0.18","200","2","200","2","","","","","","","dichloromethane,pentan","6","P -1","-P 1","2","","pentamethylcyclopentadienyl-diiodo-1-(4-methoxycarbonylphenyl)- 1-(ethoxycarbonyl)methylidenyl-iridium(iii) dichloromethane solvate","","- C23 H29 Cl2 I2 Ir O4 -","- C23 H29 Cl2 I2 Ir O4 -","- C46 H58 Cl4 I4 Ir2 O8 -","2","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0274","0.0231","","","0.0495","0.0512","","","","","","1.036","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127106","8.6637","0.0003","17.1329","0.0015","11.7442","0.0012","90","","98.388","0.004","90","","1724.6","0.2","100","2","100","2","","","","","","","dichloromethane, pentane","5","P 1 21/n 1","-P 2yn","14","","1,5-cyclooctadienyl-chloro-4-methoxyphenyl-methoxycarbonyl- methylidenyl-iridium(i)","","- C18 H22 Cl Ir O3 -","- C18 H22 Cl Ir O3 -","- C72 H88 Cl4 Ir4 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.0453","0.0311","","","0.0681","0.0747","","","","","","1.052","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127107","8.1965","0.0012","8.3165","0.0012","9.3034","0.0013","86.02","0.003","76.842","0.002","80.632","0.002","608.95","0.15","100","2","100","2","","","","","","","pentane","4","P -1","-P 1","2","","methyl ((phenyl)imino)(phenyl)acetate","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","Mo-Kα","","0.0646","0.0477","","","0.1298","0.1428","","","","","","1.044","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127108","10.248","0.002","9.5803","0.0019","18.801","0.004","90","","92.79","0.03","90","","1843.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-1,2-diphenyl-3-methoxyphenyl-3-methoxycarbonyl-diaziridine","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Tindall, Daniel J.; Werlé, Christophe; Goddard, Richard; Philipps, Petra; Farès, Christophe; Fürstner, Alois","Structure and Reactivity of Half-Sandwich Rh(+3) and Ir(+3) Carbene Complexes. Catalytic Metathesis of Azobenzene Derivatives.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12673","","","0.71073","MoKα","","0.0936","0.0734","","","0.1724","0.1829","","","","","","1.146","","","","has coordinates","205915","2020-10-21","18:00:00",""
"4127109","14.0392","0.0009","14.0392","0.0009","14.1531","0.001","90","","90","","120","","2415.8","0.3","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","Copper Iodide Selenium","","","- Cu2 I2 Se6 -","- Cu2 I2 Se6 -","- Cu18 I18 Se54 -","9","0.25","","Lin, Wenwen; Stoumpos, Constantinos C.; Kontsevoi, Oleg Y.; Liu, Zhifu; He, Yihui; Das, Sanjib; Xu, Yadong; McCall, Kyle M.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cu2I2Se6: A Metal-Inorganic-Framework Wide-bandgap Semiconductor for Photon Detection at Room Temperature.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12549","","x-ray","0.71073","MoKα","","0.0263","0.0244","","","0.0493","0.0496","","","","1.8","1.8","1.78","","","","has coordinates","205916","2020-10-21","18:00:00",""
"4127110","5.8341","0.0014","7.2548","0.0017","9.786","0.002","73.026","0.004","88.581","0.005","81.081","0.005","391.27","0.15","131","2","131","2","","","","","","","","4","P -1","-P 1","2","","","","- Am Cr2 Cs O8 -","- Am Cr2 Cs O8 -","- Am2 Cr4 Cs2 O16 -","2","1","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0278","0.0218","","","0.0456","0.0471","","","","","","1.074","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127111","9.1759","0.0011","5.5211","0.0006","7.7323","0.0009","90","","98.691","0.002","90","","387.23","0.08","137","2","137","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Am Cr2 Cs O8 -","- Am Cr2 Cs O8 -","- Am2 Cr4 Cs2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0198","0.0185","","","0.045","0.0459","","","","","","1.045","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127112","9.3329","0.001","7.5558","0.0008","11.215","0.0012","90","","91.6","0.002","90","","790.55","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr4 Cs2 La2 O16 -","- Cr4 Cs2 La2 O16 -","- Cr8 Cs4 La4 O32 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0302","0.0269","","","0.0794","0.0962","","","","","","1.201","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127113","9.324","0.004","7.5","0.003","11.134","0.005","90","","91.235","0.009","90","","778.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cr4 Cs2 O16 Pr2 -","- Cr4 Cs2 O16 Pr2 -","- Cr8 Cs4 O32 Pr4 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0284","0.0261","","","0.0682","0.0708","","","","","","1.054","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127114","9.244","0.002","5.5676","0.0014","7.795","0.002","90","","98.785","0.006","90","","396.48","0.17","204","2","204","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs Nd O8 -","- Cr2 Cs Nd O8 -","- Cr4 Cs2 Nd2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0214","0.0203","","","0.0552","0.0567","","","","","","0.742","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127115","9.1977","0.0012","5.5221","0.0007","7.7074","0.001","90","","98.818","0.003","90","","386.84","0.09","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs O8 Sm -","- Cr2 Cs O8 Sm -","- Cr4 Cs2 O16 Sm2 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0163","0.0139","","","0.0342","0.0352","","","","","","1.084","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127116","9.1553","0.0006","5.4948","0.0004","7.6669","0.0005","90","","98.8121","0.0013","90","","381.14","0.04","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cr2 Cs Eu O8 -","- Cr2 Cs Eu O8 -","- Cr4 Cs2 Eu2 O16 -","2","0.5","","Galley, Shane S.; Arico, Alexandra A.; Lee, Tsung-Han; Deng, Xiaoyu; Yao, Yong-Xin; Sperling, Joseph M.; Proust, Vanessa; Storbeck, Julia S.; Dobrosavljevic, Vladimir; Neu, Jennifer N.; Siegrist, Theo; Baumbach, Ryan E.; Albrecht-Schmitt, Thomas E; Kaltsoyannis, Nikolas; Lanatà, Nicola","Uncovering the Origin of Divergence in the CsM(CrO4)2 (M = La, Pr, Nd, Sm, Eu; Am) Family through Examination of the Chemical Bonding in a Molecular Cluster and by Band Structure Analysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b09474","","","0.71073","MoKα","","0.0122","0.0117","","","0.0272","0.0273","","","","","","1.177","","","","has coordinates","205917","2020-10-21","18:00:00",""
"4127117","5.638","0.003","18.813","0.01","22.988","0.011","82.77","0.02","89.891","0.013","81.415","0.013","2391","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 O2 -","- C28 H36 O2 -","- C112 H144 O8 -","4","2","","Guo, Wusheng; Kuniyil, Rositha; Gómez, José Enrique; Maseras, Feliu; Kleij, Arjan W.","A Domino Process toward Functionally Dense Quaternary Carbons through Pd-Catalyzed Decarboxylative C(sp3)-C(sp3) Bond Formation.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12608","","","0.71073","MoKα","","0.1246","0.1044","","","0.2703","0.2957","","","","","","1.05","","","","has coordinates","205977","2020-10-21","18:00:00",""
"4127118","11.844","0.003","20.328","0.005","36.842","0.009","90","","91.61","0.005","90","","8867","4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 Cl Co N6 -","- C45 H72 Cl Co N6 -","- C360 H576 Cl8 Co8 N48 -","8","2","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1371","0.0836","","","0.1821","0.2088","","","","","","1.075","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127119","14.866","0.006","18.861","0.007","15.583","0.006","90","","90.484","0.008","90","","4369","3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H72 Co N8 -","- C45 H72 Co N8 -","- C180 H288 Co4 N32 -","4","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1724","0.0866","","","0.2172","0.2663","","","","","","0.978","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127120","15.537","0.003","16.388","0.004","16.703","0.004","82.057","0.004","65.216","0.004","72.191","0.004","3675.9","1.5","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H104 Co2 K2 N16 -","- C67 H104 Co2 K2 N16 -","- C134 H208 Co4 K4 N32 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0854","0.0504","","","0.1174","0.1307","","","","","","0.931","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127121","15.843","0.002","16.417","0.002","16.627","0.002","81.766","0.003","64.525","0.003","71.84","0.003","3709.4","0.8","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H104 Co2 N16 Rb2 -","- C67 H104 Co2 N16 Rb2 -","- C134 H208 Co4 N32 Rb4 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1527","0.0526","","","0.0963","0.1161","","","","","","0.717","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127122","16.342","0.003","16.35","0.003","16.365","0.003","72.988","0.003","88.92","0.003","63.187","0.003","3698.8","1.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H106 Co2 Cs2 N16 O -","- C64 H106 Co2 Cs2 N16 O -","- C128 H212 Co4 Cs4 N32 O2 -","2","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1213","0.0561","","","0.1113","0.1274","","","","","","0.888","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127123","12.5874","0.0018","18.994","0.003","18.792","0.003","90","","96.575","0.003","90","","4463.3","1.2","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H72 B Co F4 N6 -","- C45 H72 B Co F4 N6 -","- C180 H288 B4 Co4 F16 N24 -","4","1","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0894","0.0494","","","0.111","0.13","","","","","","1.013","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127124","12.7838","0.0012","18.2289","0.0018","20.971","0.002","102.495","0.002","90.43","0.002","98.117","0.002","4719.8","0.8","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 Co K N8 O6 -","- C42 H72 Co K N8 O6 -","- C168 H288 Co4 K4 N32 O24 -","4","2","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.1061","0.0617","","","0.1552","0.1853","","","","","","1.007","","","","has coordinates,has disorder","205978","2020-10-21","18:00:00",""
"4127125","13.9237","0.001","16.5878","0.0012","18.4899","0.0014","90","","110.828","0.002","90","","3991.4","0.5","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H66 Co N6 Si2 -","- C36 H66 Co N6 Si2 -","- C144 H264 Co4 N24 Si8 -","4","0.5","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0777","0.055","","","0.1281","0.1427","","","","","","1.038","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127126","22.367","0.003","12.0335","0.0019","18.857","0.005","90","","118.407","0.002","90","","4464.3","1.5","130","","130","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H78 Co N6 Si2 -","- C42 H78 Co N6 Si2 -","- C168 H312 Co4 N24 Si8 -","4","0.5","","Gao, Yafei; Li, Guangyu; Deng, Liang","Bis(dinitrogen)cobalt(-I) Complexes with NHC Ligation: Synthesis, Characterization and Their Dinitrogen Functionalization Reactions Affording Side-On Bound Diazene Complexes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11660","","","0.71073","MoKα","","0.0931","0.043","","","0.0883","0.1057","","","","","","1.002","","","","has coordinates","205978","2020-10-21","18:00:00",""
"4127127","8.6341","0.0012","22.668","0.003","11.4074","0.0016","90","","108.945","0.002","90","","2111.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Ir N2 O3 -","- C23 H31 Ir N2 O3 -","- C92 H124 Ir4 N8 O12 -","4","1","","Gao, Yang; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Selective Dehydrogenative Coupling of Ethylene to Butadiene via an Iridacyclopentane Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11689","","","0.71073","MoKα","","0.05","0.0456","","","0.1029","0.1049","","","","","","1.187","","","","has coordinates,has disorder","205979","2020-10-21","18:00:00",""
"4127128","33.9622","0.0003","33.9622","0.0003","83.175","0.002","90","","90","","120","","83084","2","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C240 H264 Cl6 Mn6 N12 O55.5 Zr12 -","- C1440 H1584 Cl36 Mn36 N72 O333 Zr72 -","6","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1716","0.1242","","","0.3039","0.3724","","","","","","1.232","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4127129","34.2265","0.0014","34.2265","0.0014","83.822","0.004","90","","90","","120","","85038","6","100.15","","100.15","","","","","","","","","7","R 3 2","R 3 2""","155","","","","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C480 H528 Cl12 Cr12 N24 O105 Zr24 -","- C1440 H1584 Cl36 Cr36 N72 O315 Zr72 -","3","","","Jiao, Jingjing; Tan, Chunxia; Li, Zijian; Liu, Yan; Han, Xing; Cui, Yong","Design and Assembly of Chiral Coordination Cages for Asymmetric Sequential Reactions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11679","","","1.54178","CuKα","","0.1963","0.0965","","","0.249","0.3501","","","","","","1.056","","","","has coordinates,has disorder","205981","2020-10-21","18:00:00",""
"4127130","14.8536","0.0007","19.2068","0.0009","27.2452","0.0013","90","","94.2703","0.0015","90","","7751.2","0.6","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","CH-I-305A","","","- C24 H28 F N O -","- C24 H28 F N O -","- C384 H448 F16 N16 O16 -","16","4","","Heinz, Christoph; Lutz, J. Patrick; Simmons, Eric M.; Miller, Michael M.; Ewing, William R.; Doyle, Abigail G.","A Ni-Catalyzed Carbon-Carbon Bond-Forming Reductive Amination.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12212","","","0.71073","MoKα","","0.0634","0.0421","","","0.0931","0.1032","","","","","","1.025","","","","has coordinates","206045","2020-10-21","18:00:00",""
"4127131","12.587","0.005","12.708","0.005","18.55","0.008","90","","101.244","0.014","90","","2910","2","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C48 H70 F6 N2 Sb -","- C48 H70 F6 N2 Sb -","- C96 H140 F12 N4 Sb2 -","2","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0306","0.0279","","","0.0678","0.069","","","","","","1.039","","","","has coordinates","206046","2020-10-21","18:00:00",""
"4127132","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Bertrand, Guy","Organic Mixed Valence Compounds Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b11184","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","206047","2020-10-21","18:00:00",""
"4127133","12.9197","0.0007","17.4852","0.0009","20.7494","0.0011","105.21","0.003","98.201","0.003","90.612","0.003","4471.2","0.4","100","","100","2","","","","","","","","7","P -1","-P 1","2","[{Co(NPtBu3)}4][B(C6F5)4]","","","- C81.68 H114.45 B Co4 F23.23 N4 P4 -","- C81.672 H114.448 B Co4 F23.224 N4 P4 -","- C163.344 H228.896 B2 Co8 F46.448 N8 P8 -","2","1","","Chakarawet, Khetpakorn; Bunting, Philip C.; Long, Jeffrey R.","Large Anisotropy Barrier in a Tetranuclear Single-Molecule Magnet Featuring Low-Coordinate Cobalt Centers.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13394","","","0.7749","synchrotron","","0.0745","0.0556","","","0.1509","0.1642","","","","","","1.035","","","","has coordinates,has disorder","206048","2020-10-21","18:00:00",""
"4127134","25.681","0.002","14.156","0.001","10.7814","0.0008","90","","92.639","0.007","90","","3915.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C214 H160 N16 Ni4 -","- C214 H160 N16 Ni4 -","- C214 H160 N16 Ni4 -","1","0.25","","Martin, Ruben; Tortajada Navarro, Andreu; Ninokata, Ryo","Ni-Catalyzed Site-Selective Dicarboxylation of 1,3-Dienes with CO2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13220","","","0.7107","MoKα","","0.153","0.0686","","","0.1235","0.1507","","","","","","1.019","","","","has coordinates,has disorder","206049","2020-10-21","18:00:00",""
"4127135","11.7813","0.0014","13.5251","0.0017","19.854","0.003","89.326","0.003","89.533","0.003","79.092","0.003","3106.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H49 Ni O2 P -","- C35 H49 Ni O2 P -","- C140 H196 Ni4 O8 P4 -","4","2","","Martin, Ruben; Tortajada Navarro, Andreu; Ninokata, Ryo","Ni-Catalyzed Site-Selective Dicarboxylation of 1,3-Dienes with CO2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13220","","","0.71073","MoKα","","0.0956","0.0623","","","0.1515","0.1741","","","","","","1.012","","","","has coordinates","206050","2020-10-21","18:00:00",""
"4127136","7.351","0.0004","6.8049","0.0004","18.1326","0.0011","90","","92.015","0.003","90","","906.48","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C40 H40 N4 O10 -","2","1","","Huo, Xiaohong; Zhang, Jiacheng; Fu, Jingke; He, Rui; Zhang, Wanbin","Ir/Cu Dual Catalysis: Enantio- and Diastereodivergent Access to α,α-Disubstituted α-Amino Acids Bearing Vicinal Stereocenters.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00187","","","1.54178","CuKα","","0.1214","0.1194","","","0.3381","0.339","","","","","","1.093","","","","has coordinates","206142","2020-10-21","18:00:00",""
"4127137","13.191","0.001","13.834","0.001","44.31","0.004","83.48","0.01","86.27","0.01","68.57","0.01","7475.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H10 F48 Y2 -","- C108 H10 F48 Y2 -","- C432 H40 F192 Y8 -","4","2","","Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng","Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12925","","","0.895","synchrotron","","0.364","0.1439","","","0.3012","0.3424","","","","","","1.156","","","","has coordinates","206198","2020-10-21","18:00:00",""
"4127138","12.738","0.001","16.51","0.001","20.667","0.002","74.73","0.01","82.24","0.01","75.14","0.01","4042.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C107 H8 F48 Y2 -","- C107 F48 Y2 -","- C214 F96 Y4 -","2","1","","Jin, Fei; Tamm, Nadezhda B.; Troyanov, Sergey I.; Yang, Shangfeng","Steering the Geometry of Butterfly-Shaped Dimetal Carbide Cluster within a Carbon Cage via Trifluoromethylation of Y2C2@C82(6).","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12925","","","0.895","synchrotron","","0.2298","0.1059","","","0.2345","0.27","","","","","","1.065","","","","has coordinates","206199","2020-10-21","18:00:00",""
"4127139","7.2745","0.0015","10.702","0.002","23.579","0.005","90","","90","","90","","1835.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl F3 N2 O -","- C21 H16 Cl F3 N2 O -","- C84 H64 Cl4 F12 N8 O4 -","4","1","","Uraguchi, Daisuke; Sasaki, Hitoshi; Kimura, Yuto; Ito, Takaki; Ooi, Takashi","Molecular Design, Synthesis, and Asymmetric Catalysis of a Hexacoordinated Chiral Phosphate Ion.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13433","","","0.71075","MoKα","","0.0425","0.0343","","","0.0772","0.0797","","","","","","0.968","","","","has coordinates","206200","2020-10-21","18:00:00",""
"4127140","15.148","0.005","8.809","0.003","16.41","0.006","90","","90","","90","","2189.7","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl2 N2 O5 -","- C20 H24 Cl2 N2 O5 -","- C80 H96 Cl8 N8 O20 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0527","0.0491","","","0.1429","0.1545","","","","","","1.096","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127141","7.97","0.005","20.888","0.013","11.68","0.006","90","","132.84","0.03","90","","1425.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl2 N4 O4 -","- C30 H30 Cl2 N4 O4 -","- C60 H60 Cl4 N8 O8 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1109","0.072","","","0.2367","0.2787","","","","","","0.93","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127142","8.082","0.009","21.71","0.02","11.352","0.009","90","","134.41","0.05","90","","1423","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 N2 O4 S2 -","- C28 H28 Cl2 N2 O4 S2 -","- C56 H56 Cl4 N4 O8 S4 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1144","0.0995","","","0.2777","0.2876","","","","","","1.091","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127143","8.448","0.006","20.265","0.015","8.531","0.006","90","","92.855","0.009","90","","1458.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cl2 N2 O4 -","- C32 H32 Cl2 N2 O4 -","- C64 H64 Cl4 N4 O8 -","2","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0836","0.0642","","","0.1662","0.1861","","","","","","1.161","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127144","7.613","0.005","24.219","0.017","13.079","0.009","90","","92.27","0.011","90","","2410","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Cl N2 O2 -","- C28 H27 Cl N2 O2 -","- C112 H108 Cl4 N8 O8 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.1097","0.0992","","","0.2655","0.284","","","","","","1.125","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127145","7.827","0.004","24.98","0.012","12.481","0.006","90","","91.576","0.005","90","","2439","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cl N2 O2 -","- C30 H27 Cl N2 O2 -","- C120 H108 Cl4 N8 O8 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.119","0.0787","","","0.1942","0.2284","","","","","","1.213","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127146","7.542","0.007","8.824","0.008","14.579","0.014","97.863","0.013","95.939","0.015","92.493","0.01","954.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 N6 O4 -","- C42 H42 Cl2 N6 O4 -","- C42 H42 Cl2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0858","0.0614","","","0.1515","0.1709","","","","","","1.072","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127147","7.522","0.007","8.82","0.008","14.383","0.014","97.218","0.015","94.706","0.012","92.604","0.016","942","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Cl2 N6 O4 -","- C42 H40 Cl2 N6 O4 -","- C42 H40 Cl2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0688","0.0577","","","0.1548","0.1651","","","","","","1.067","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127148","7.542","0.007","8.625","0.008","14.89","0.013","97.722","0.013","97.118","0.016","94.181","0.014","948.5","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl2 N4 O4 S2 -","- C39.9982 H38 Cl2 N4 O4 S2.0018 -","- C39.9982 H38 Cl2 N4 O4 S2.0018 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0664","0.0569","","","0.154","0.1635","","","","","","1.068","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127149","7.574","0.007","8.936","0.009","14.572","0.015","97.653","0.014","98.49","0.02","91.167","0.007","965.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","- C44 H44 Cl2 N4 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.084","0.0685","","","0.1935","0.2078","","","","","","1.138","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127150","7.569","0.004","8.821","0.005","14.499","0.008","97.665","0.01","96.437","0.009","91.771","0.004","952.3","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Br2 N6 O4 -","- C42 H42 Br2 N6 O4 -","- C42 H42 Br2 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0492","0.0447","","","0.121","0.1307","","","","","","0.872","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127151","7.555","0.006","8.801","0.007","14.445","0.012","96.914","0.009","94.745","0.013","91.997","0.013","949.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.02 H45.06 Cl0.98 N6 O4 -","- C43.0196 H45.0588 Cl0.9804 N6 O4 -","- C43.0196 H45.0588 Cl0.9804 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0981","0.0747","","","0.2021","0.2165","","","","","","1.224","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127152","7.572","0.007","8.832","0.008","14.537","0.013","97.232","0.016","95.305","0.015","92.094","0.01","959.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.89 H42 Cl1.11 N6 O4 -","- C42.8874 H42 Cl1.1126 N6 O4 -","- C42.8874 H42 Cl1.1126 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0731","0.0559","","","0.1574","0.173","","","","","","0.994","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127153","7.576","0.006","8.823","0.007","14.487","0.012","96.925","0.015","94.732","0.009","92","0.013","957","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.36 H46.07 Cl0.64 N6 O4 -","- C43.3552 H46.0656 Cl0.6448 N6 O4 -","- C43.3552 H46.0656 Cl0.6448 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0819","0.0605","","","0.1718","0.1908","","","","","","1.013","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127154","7.553","0.005","8.823","0.006","14.522","0.01","97.551","0.014","95.65","0.009","92.369","0.008","953.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.48 H43.45 Cl1.52 N6 O4 -","- C42.4836 H43.4508 Cl1.5164 N6 O4 -","- C42.4836 H43.4508 Cl1.5164 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.058","0.0513","","","0.1712","0.1832","","","","","","0.813","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127155","7.578","0.005","8.815","0.006","14.496","0.01","96.635","0.008","94.539","0.013","91.885","0.012","958","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.63 H46.88 Cl0.37 N6 O4 -","- C43.6268 H46.8804 Cl0.3732 N6 O4 -","- C43.6268 H46.8804 Cl0.3732 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0732","0.0601","","","0.175","0.1873","","","","","","1.032","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127156","7.547","0.005","8.833","0.006","14.336","0.01","96.481","0.013","93.678","0.014","91.954","0.01","946.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.39 H40 Cl0.61 N6 O4 -","- C43.3862 H40 Cl0.6138 N6 O4 -","- C43.3862 H40 Cl0.6138 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0792","0.0661","","","0.1927","0.2051","","","","","","1.071","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127157","7.634","0.006","8.818","0.007","14.583","0.011","96.905","0.012","95.339","0.012","91.548","0.009","969.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.9 H44.71 Br1.1 N6 O4 -","- C42.9024 H44.7072 Br1.0976 N6 O4 -","- C42.9024 H44.7072 Br1.0976 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0795","0.0668","","","0.214","0.225","","","","","","1.035","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127158","7.591","0.005","8.81","0.006","14.596","0.01","97.483","0.013","96.098","0.011","91.895","0.009","961.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Br1.03 Cl0.97 N6 O4 -","- C42 H42 Br1.0288 Cl0.9712 N6 O4 -","- C42 H42 Br1.0288 Cl0.9712 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0562","0.0473","","","0.1227","0.1297","","","","","","1.015","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127159","7.645","0.006","8.85","0.007","14.623","0.011","97.02","0.02","95.61","0.02","91.83","0.02","976.3","1.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.72 H42 Br0.79 Cl0.49 N6 O4 -","- C42.718 H42 Br0.7902 Cl0.4918 N6 O4 -","- C42.718 H42 Br0.7902 Cl0.4918 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0609","0.0424","","","0.1028","0.1104","","","","","","1.067","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127160","7.566","0.006","8.792","0.007","14.496","0.012","97.104","0.017","95.388","0.011","91.808","0.01","951.7","1.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.63 H42 Br0.68 Cl0.69 N6 O4 -","- C42.631 H42 Br0.681 Cl0.6884 N6 O4 -","- C42.631 H42 Br0.681 Cl0.6884 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0645","0.0552","","","0.1414","0.1472","","","","","","1.07","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127161","7.625","0.005","8.825","0.006","14.596","0.01","97.199","0.011","95.753","0.008","91.696","0.009","968.6","1.1","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C42.28 H42 Br1.17 Cl0.55 N6 O4 -","- C42.2758 H42 Br1.1714 Cl0.5532 N6 O4 -","- C42.2758 H42 Br1.1714 Cl0.5532 N6 O4 -","1","0.5","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0989","0.0602","","","0.1243","0.1408","","","","","","0.987","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127162","19.067","0.011","19.067","0.011","6.882","0.006","90","","90","","90","","2502","3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6 H5 Br0.36 Cl0.64 O2 -","- C6 H5 Br0.3598 Cl0.6402 O2 -","- C96 H80 Br5.7568 Cl10.2432 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0529","0.0445","","","0.1019","0.106","","","","","","1.134","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127163","19.231","0.002","19.231","0.002","6.9229","0.0011","90","","90","","90","","2560.3","0.6","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C6.19 H5 Br0.81 O2 -","- C6.1919 H5 Br0.8081 O2 -","- C99.0704 H80 Br12.9296 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0496","0.0428","","","0.1042","0.1076","","","","","","1.106","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127164","9.113","0.008","11.693","0.01","18.208","0.016","90","","92.232","0.013","90","","1939","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20.47 H15 Cl0.53 O6 -","- C20.4715 H15 Cl0.5285 O6 -","- C81.886 H60 Cl2.114 O24 -","4","1","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0989","0.0782","","","0.2037","0.2189","","","","","","1.151","","","","has coordinates,has disorder","206201","2020-10-21","18:00:00",""
"4127165","19.153","0.002","19.153","0.002","6.9155","0.0012","90","","90","","90","","2536.9","0.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C6.24 H5 Br0.32 Cl0.44 O2 -","- C6.2388 H5 Br0.3182 Cl0.443 O2 -","- C99.8208 H80 Br5.0912 Cl7.088 O32 -","16","","","Paul, Mithun; Chakraborty, Shaunak; Desiraju, Gautam R.","Six-component Molecular Solids, ABC[D1-(x+y)ExFy]2.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12501","","","0.71073","MoKα","","0.0677","0.0515","","","0.1265","0.1363","","","","","","1.076","","","","has coordinates","206201","2020-10-21","18:00:00",""
"4127166","8.0371","0.0008","43.43","0.002","8.4333","0.0009","90","","90.928","0.006","90","","2943.3","0.5","100","2","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C28 H35 B F3 N3 O10 -","- C28 H32.58 B F3 N3 O10 -","- C112 H130.32 B4 F12 N12 O40 -","4","1","","Sun, Xiaolong; James, Tony D.; Anslyn, Eric Van","Arresting ""Loose Bolt"" Internal Conversion from -B(OH)2 Groups is the Mechanism for Emission Turn-On in ortho-Aminomethylphenylboronic Acid-Based Saccharide Sensors.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12877","","","0.71073","MoKα","","0.0628","0.0608","","","0.1626","0.1651","","","","","","0.996","","","","has coordinates,has disorder","206202","2020-10-21","18:00:00",""
"4127167","12.2856","0.0008","6.1896","0.0004","15.4428","0.0011","90","","103.702","0.004","90","","1140.9","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H11 I O2 -","- C12 H11 I O2 -","- C48 H44 I4 O8 -","4","2","","Knowe, Matthew T.; Danneman, Michael W.; Sun, Sarah; Pink, Maren; Johnston, Jeffrey N.","Biomimetic Desymmetrization of a Carboxylic Acid","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12185","","","0.71073","MoKα","","0.0201","0.0186","","","0.0427","0.0434","","","","","","1.056","","","","has coordinates","206203","2020-10-21","18:00:00",""
"4127168","8.539","0.004","10.087","0.005","10.417","0.004","105.258","0.007","99.266","0.013","100.55","0.02","830","0.7","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C17 H21 N O2 S2 -","- C17 H21 N O2 S2 -","- C34 H42 N2 O4 S4 -","2","2","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0451","0.0415","","","0.0861","0.0891","","","","","","1.02","","","","has coordinates","206272","2020-10-21","18:00:00",""
"4127169","11.6502","0.0014","9.0241","0.0011","21.473","0.003","90","","103.373","0.007","90","","2196.3","0.5","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 F3 N O S2 -","- C25 H22 F3 N O S2 -","- C100 H88 F12 N4 O4 S8 -","4","1","","Li, Feng; Korenaga, Toshinobu; Nakanishi, Taishi; Kikuchi, Jun; Terada, Masahiro","Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13274","","","0.71075","MoKα","","0.0566","0.0489","","","0.1058","0.1098","","","","","","1.087","","","","has coordinates","206273","2020-10-21","18:00:00",""
"4127170","7.2579","0.0003","12.5778","0.0005","12.8986","0.0005","77.066","0.002","78.635","0.002","84.963","0.002","1123.94","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GK2","","","- C19 H22 Cl4 N2 Sn2 -","- C19 H22 Cl4 N2 Sn2 -","- C38 H44 Cl8 N4 Sn4 -","2","1","","Kiel, Gavin R.; Samkian, Adrian E.; Nicolay, Amélie; Witzke, Ryan J.; Tilley, T. Don","Titanocene-Mediated Dinitrile Coupling: A Divergent Route to Nitrogen-Containing Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13823","","","0.71073","MoKα","","0.0363","0.0299","","","0.0692","0.0722","","","","","","1.098","","","","has coordinates","206274","2020-10-21","18:00:00",""
"4127171","25.1208","0.0009","15.5044","0.0006","19.5147","0.0006","90","","95.492","0.002","90","","7565.8","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","U2@C80/NiOEP/CHCl3","","","- C117 H46 Cl5 N4 Ni U2 -","- C117 H46 Cl5 N4 Ni U1.9984 -","- C468 H184 Cl20 N16 Ni4 U7.9936 -","4","0.5","","Zhang, Xingxing; Wang, Yaofeng; Morales-Martínez, Roser; Zhong, Jun; de Graaf, Coen; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Feng, Lai; Chen, Ning","U2@Ih(7)-C80: Crystallographic characterization of a long-sought dimetallic actinide endohedral fullerene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b10865","","","1.54178","CuKα","","0.1358","0.1169","","","0.3419","0.3706","","","","","","1.576","","","","has coordinates,has disorder","206369","2020-10-21","18:00:00",""
"4127172","10.2002","0.0006","16.0175","0.0008","12.8323","0.0006","90","","105.396","0.006","90","","2021.33","0.19","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Xu, Hai; He, Jia; Shi, Jiarong; Tan, Liang; Qiu, Dachuan; Luo, Xiaohua; Li, Yang","Domino Aryne Annulation via Nucleophilic-Ene Process.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01005","","","0.71073","MoKα","","0.0554","0.0433","","","0.1042","0.115","","","","","","1.124","","","","has coordinates","206370","2020-10-21","18:00:00",""
"4127173","9.5226","0.0003","15.1939","0.0006","14.7465","0.0006","90","","99.662","0.004","90","","2103.34","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Xu, Hai; He, Jia; Shi, Jiarong; Tan, Liang; Qiu, Dachuan; Luo, Xiaohua; Li, Yang","Domino Aryne Annulation via Nucleophilic-Ene Process.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01005","","","0.71073","MoKα","","0.0744","0.0518","","","0.121","0.1366","","","","","","1.057","","","","has coordinates","206371","2020-10-21","18:00:00",""
"4127174","16.2813","0.0005","10.4055","0.0003","13.5951","0.0004","90","","91.0311","0.001","90","","2302.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BJS2","","","- C25 H31 Cl N2 Ni -","- C25 H31 Cl N2 Ni -","- C100 H124 Cl4 N8 Ni4 -","4","1","","Shields, Benjamin J.; Kudisch, Bryan; Scholes, Gregory D.; Doyle, Abigail G.","Long-Lived Charge Transfer States of Nickel(II) Aryl Halide Complexes Facilitate Bimolecular Photoinduced Electron Transfer.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13281","","","1.54178","CuKα","","0.0305","0.029","","","0.075","0.0759","","","","","","1.044","","","","has coordinates,has disorder","206372","2020-10-21","18:00:00",""
"4127175","16.2813","0.0005","10.4055","0.0003","13.5951","0.0004","90","","91.0311","0.001","90","","2302.84","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.18 H29.8 Cl N2 Ni -","- C24.179 H29.809 Cl N2 Ni -","- C96.716 H119.236 Cl4 N8 Ni4 -","4","1","","Shields, Benjamin J.; Kudisch, Bryan; Scholes, Gregory D.; Doyle, Abigail G.","Long-Lived Charge Transfer States of Nickel(II) Aryl Halide Complexes Facilitate Bimolecular Photoinduced Electron Transfer.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13281","","","1.54178","CuKα","","0.0739","0.072","","","0.1851","0.1861","","","","","","2.561","","","","has coordinates,has disorder","206373","2020-10-21","18:00:00",""
"4127176","11.6097","0.0004","13.4515","0.0005","17.138","0.0005","67.6273","0.0015","86.9563","0.0015","74.1423","0.0016","2376.85","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74 Ge Hf N4 O Si2 -","- C45 H74 Ge Hf N4 O Si2 -","- C90 H148 Ge2 Hf2 N8 O2 Si4 -","2","1","","Dong, Zhaowen; Bedbur, Katja; Schmidtmann, Marc; Müller, Thomas","Hafnocene-based Bicyclo[2.1.1]hexene Germylenes - Formation, Reactivity and Structural Flexibility.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13536","","","0.71073","MoKα","","0.0624","0.0437","","","0.0978","0.1057","","","","","","1.054","","","","has coordinates,has disorder","206374","2020-10-21","18:00:00",""
"4127177","8.1141","0.0003","22.8961","0.0007","16.1407","0.0005","90","","95.5255","0.0014","90","","2984.71","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Ge Hf Si2 -","- C28 H46 Ge Hf Si2 -","- C112 H184 Ge4 Hf4 Si8 -","4","1","","Dong, Zhaowen; Bedbur, Katja; Schmidtmann, Marc; Müller, Thomas","Hafnocene-based Bicyclo[2.1.1]hexene Germylenes - Formation, Reactivity and Structural Flexibility.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13536","","","0.71073","MoKα","","0.0378","0.0317","","","0.07","0.0724","","","","","","1.164","","","","has coordinates,has disorder","206375","2020-10-21","18:00:00",""
"4127178","12.2514","0.0004","17.1579","0.0005","13.0272","0.0004","90","","114.884","0.001","90","","2484.19","0.13","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H66 B36 Co2 N2 O2 -","- C26 H66 B36 Co2 N2 O2 -","- C52 H132 B72 Co4 N4 O4 -","2","0.5","","Buades, Ana B.; Sanchez Arderiu, Víctor; Olid-Britos, David; Viñas, Clara; Sillanpää, Reijo; Haukka, Matti; Fontrodona, Xavier; Paradinas, Markos; Ocal, Carmen; Teixidor, Francesc","Electron Accumulative Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12815","","","0.71073","MoKα","","0.1279","0.0736","","","0.1579","0.188","","","","","","1.061","","","","has coordinates","206399","2020-10-21","18:00:00",""
"4127179","19.5311","0.0013","10.3279","0.0007","20.064","0.0014","90","","110.083","0.001","90","","3801.1","0.4","183","2","183","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H57 O5 P3 Pd -","- C34 H57 O5 P3 Pd -","- C136 H228 O20 P12 Pd4 -","4","1","","Chen, Tieqiao; Zhao, Chang-Qiu; Han, Li-Biao","Hydrophosphorylation of Alkynes Catalyzed by Palladium: Generality and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00550","","","0.71073","MoKα","","0.0272","0.0242","","","0.0852","0.0932","","","","","","0.761","","","","has coordinates","206499","2020-10-21","18:00:00",""
"4127180","10.128","0.0012","11.9524","0.0014","20.2705","0.0018","90","","105.659","0.005","90","","2362.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 O4 Si2 Sr -","- C52 H62 O4 Si2 Sr -","- C104 H124 O8 Si4 Sr2 -","2","0.5","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0582","0.0421","","","0.1016","0.1092","","","","","","1.05","","","","has coordinates","206556","2020-10-21","18:00:00",""
"4127181","9.8153","0.001","16.7007","0.0017","19.175","0.002","86.701","0.003","86.382","0.003","77.342","0.003","3057.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H95 N12 Si Sr3 -","- C54 H95 N12 Si Sr3 -","- C108 H190 N24 Si2 Sr6 -","2","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0862","0.0527","","","0.1163","0.1295","","","","","","1.037","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127182","9.8237","0.0003","16.7214","0.0005","19.1764","0.0006","86.7277","0.0008","86.3258","0.0009","77.2861","0.0009","3063.49","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","cocrystal hydride - hydroxide","","","- C54 H95 N12 O0.4 Si Sr3 -","- C54 H95 N12 O0.389 Si Sr3 -","- C108 H190 N24 O0.778 Si2 Sr6 -","2","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0598","0.0423","","","0.1028","0.1099","","","","","","1.057","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127183","13.8856","0.0008","17.4892","0.001","18.1198","0.001","90","","90","","90","","4400.4","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C49 H66 N4 O5 Sr -","- C49 H66 N4 O5 Sr -","- C196 H264 N16 O20 Sr4 -","4","0.5","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.0755","0.0508","","","0.1287","0.141","","","","","","1.061","","","","has coordinates,has disorder","206556","2020-10-21","18:00:00",""
"4127184","9.856","0.003","15.431","0.004","21.091","0.005","90","","92.177","0.008","90","","3205.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 Ca N4 O2 -","- C37 H42 Ca N4 O2 -","- C148 H168 Ca4 N16 O8 -","4","1","","Mukherjee, Debabrata; Höllerhage, Thomas; Leich, Valeri; Spaniol, Thomas P.; Englert, Ulli; Maron, Laurent; Okuda, Jun","The Nature of the Heavy Alkaline Earth Metal-Hydrogen Bond: Synthesis, Structure, and Reactivity of a Cationic Strontium Hydride Cluster.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13796","","","0.71073","MoKα","","0.1688","0.0742","","","0.1473","0.1852","","","","","","1.018","","","","has coordinates","206556","2020-10-21","18:00:00",""
"4127185","12.4113","0.0003","23.1325","0.0005","22.4665","0.0004","90","","103.812","0.001","90","","6263.7","0.2","173","2","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C241 H322 Cl2 O40 -","- C241 H322 Cl2 O40 -","- C241 H322 Cl2 O40 -","1","0.25","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Zhao, Run; Liu, Ming; Huang, Feihe","Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13156","","","1.54178","CuKα","","0.1172","0.0764","","","0.2172","0.2538","","","","","","1.045","","","","has coordinates,has disorder","206557","2020-10-21","18:00:00",""
"4127186","43.4083","0.0019","15.7004","0.0007","16.1394","0.0006","90","","90","","90","","10999.4","0.8","170.1","","170","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C60 H82 O10 -","- C60 H82 O10 -","- C480 H656 O80 -","8","1","","Jie, Kecheng; Zhou, Yujuan; Li, Errui; Zhao, Run; Liu, Ming; Huang, Feihe","Linear Positional Isomer Sorting in Nonporous Adaptive Crystals of a Pillar[5]arene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13156","","","1.54184","CuKα","","0.1147","0.0663","","","0.1638","0.2013","","","","","","1.006","","","","has coordinates","206558","2020-10-21","18:00:00",""
"4127187","12.2396","0.0006","12.5554","0.0006","25.4446","0.0012","90","","90","","90","","3910.1","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Cl2 N O2 P Pd S -","- C42 H48 Cl2 N O2 P Pd S -","- C168 H192 Cl8 N4 O8 P4 Pd4 S4 -","4","1","","Wang, Lei; Chen, Mingjie; Zhang, Peichao; Li, Wenbo; Zhang, Junliang","Palladium/PC-Phos-Catalyzed Enantioselective Arylation of General Sulfenate Anions: Scope and Synthetic Applications.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00178","","","0.71073","MoKα","","0.0369","0.0301","","","0.0631","0.0671","","","","","","1.074","","","","has coordinates","206559","2020-10-21","18:00:00",""
"4127188","25.8977","0.0009","25.8977","0.0009","6.7599","0.0003","90","","90","","120","","3926.4","0.3","100","2","100","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","Co2(m-dobdc)(EB)0.63(H2O)0.61","","","- C14.15 H10.91 Co2 O6.61 -","- C13.0208 H8.276 Co2 O6.5954 -","- C117.187 H74.484 Co18 O59.3586 -","9","0.5","","Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R.","Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13825","","","0.8856","synchrotron","","0.044","0.0399","","","0.108","0.1099","","","","","","1.083","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"4127189","9.725","0.009","11.882","0.007","16.226","0.011","109.43","0.02","93.08","0.03","109.33","0.04","1640","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ECG1","","","- C36 H34 N4 O4 -","- C36 H34 N4 O4 -","- C72 H68 N8 O8 -","2","1","","Gentry, Emily C.; Rono, Lydia J.; Hale, Martina E.; Matsuura, Rei; Knowles, Robert R.","Enantioselective Synthesis of Pyrroloindolines via Noncovalent Stabilization of Indole Radical Cations and Applications to the Synthesis of Alkaloid Natural Products.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13616","","","1.54178","CuKα","","0.0627","0.0512","","","0.1175","0.1243","","","","","","1.077","","","","has coordinates","206602","2020-10-21","18:00:00",""
"4127190","8.6732","","18.4268","","20.4522","","90","","99.306","","90","","3225.64","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 I4 N2 Pb -","- C6 H16 I4 N2 Pb -","- C48 H128 I32 N16 Pb8 -","8","2","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.1471","0.0869","","","0.1622","0.1686","","","","3.12","3.12","2.43","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127191","8.8581","0.0011","8.8607","0.0004","33.4749","0.0005","90","","90","","90","","2627.4","0.3","250","","250","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C7 H22 I7 N3 Pb2 -","- C7 H22 I7 N3 Pb2 -","- C28 H88 I28 N12 Pb8 -","4","1","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.0365","0.0323","","","0.0922","0.0941","","","","2.41","2.41","2.29","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127192","8.862","","8.862","","23.032","","90","","90","","90","","1808.82","","250","","250","","","","","","","","","5","P 1 a 1","P -2ya","7","","","","- C16 H56 I20 N8 Pb6 -","- C16 H56 I20 N8 Pb6 -","- C16 H56 I20 N8 Pb6 -","1","0.5","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","","0.71073","MoKα","","0.0612","0.0395","","","0.1063","0.1296","","","","","","1.057","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127193","8.8627","0.0018","8.8689","0.0018","58.842","0.012","90","","90","","90","","4625.1","1.6","250","","250","","","","","","","","","5","I 1 c 1","I -2yc","9","","","","- C9 H34 I13 N5 Pb4 -","- C9 H34 I13 N5 Pb4 -","- C36 H136 I52 N20 Pb16 -","4","1","","Mao, Lingling; Ke, Weijun; Pedesseau, Laurent; Wu, Yilei; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Hybrid Dion-Jacobson 2D Lead Iodide Perovskites.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00542","","x-ray","0.71073","MoKα","","0.1136","0.0901","","","0.2062","0.2138","","","","2.58","2.58","2.12","","","","has coordinates","206790","2020-10-21","18:00:00",""
"4127194","15.4634","0.0003","8.0701","0.00017","12.4586","0.0003","90","","107.686","0.002","90","","1481.24","0.06","113","2","113","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Al78 Fe23.78 Pt0.22 -","- Al78 Fe23.784 Pt0.216 -","- Al78 Fe23.784 Pt0.216 -","1","0.125","","Yamada, Tsunetomo; Kojima, Takayuki; Abe, Eiji; Kameoka, Satoshi; Murakami, Yumi; Gille, Peter; Tsai, An Pang","Probing Single Pt Atoms in Complex Intermetallic Al<sub>13</sub>Fe<sub>4</sub>.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13658","","x-ray","0.71073","MoKα","","0.0286","0.0283","","","0.082","0.086","","","","","","1.163","","","","has coordinates","206809","2020-10-21","18:00:00",""
"4127195","5.0137","0.0004","13.9038","0.0011","11.1839","0.0007","90","","90","","90","","779.62","0.1","293","","293","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- F Fe Li0.885 Na0.726 O4 P -","- F Fe Li0.885 Na0.726 O4 P -","- F8 Fe8 Li7.08 Na5.808 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.0447","0.0447","","0.0795","0.0795","","","","24.52","","","","","","","has coordinates","206810","2020-10-21","18:00:00",""
"4127196","5.1288","0.0004","14.0853","0.0013","11.404","0.0008","90","","90","","90","","823.83","0.12","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- F Fe Na O4 P -","- F Fe Na O4 P -","- F8 Fe8 Na8 O32 P8 -","8","1","","Tereshchenko, Ivan V.; Aksyonov, Dmitry A.; Drozhzhin, Oleg A.; Presniakov, Igor A.; Sobolev, Alexey V.; Zhugayevych, Andriy; Striukov, Daniil; Stevenson, Keith J.; Antipov, Evgeny; Abakumov, Artem M.","The role of semi-labile oxygen atoms for intercalation chemistry of the metal-ion battery polyanion cathodes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12644","powder diffraction","x-ray","0.7121","","","0.032","0.032","","0.063","0.063","","","","47.14","","","","","","","has coordinates","206811","2020-10-21","18:00:00",""
"4127197","5.4494","0.0005","15.3174","0.0015","22.166","0.002","69.901","0.009","88.565","0.008","87.799","0.008","1736.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N6 O4 -","- C44 H36 N6 O4 -","- C88 H72 N12 O8 -","2","1","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","1.54184","CuKα","","0.0633","0.0578","","","0.1622","0.1717","","","","","","1.022","","","","has coordinates","206844","2020-10-21","18:00:00",""
"4127198","14.615","0.002","16.759","0.002","25.592","0.004","82.134","0.004","83.419","0.004","78.914","0.005","6068.3","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H112 N16 O8 Zn -","- C124 H112 N16 O8 Zn -","- C248 H224 N32 O16 Zn2 -","2","1","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","0.71073","MoKα","","0.221","0.1029","","","0.185","0.226","","","","","","1.034","","","","has coordinates,has disorder","206845","2020-10-21","18:00:00",""
"4127199","27.1244","0.0004","23.7924","0.0003","33.4789","0.0006","90","","104.043","0.001","90","","20960","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C124 H108 N16 O8 Zn2 -","- C124 H108 N16 O8 Zn2 -","- C992 H864 N128 O64 Zn16 -","8","2","","Anguera, Gonzalo; Cha, Won-Young; Moore, Matthew D.; Lee, Juhoon; Guo, Shenyi; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Hexadecaphyrin-(1.0.0.0.1.1.0.1.1.0.0.0.1.1.0.1): A Dual Site Ligand That Supports Thermal Conformational Changes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13024","","","1.54184","CuKα","","0.1057","0.094","","","0.2423","0.2576","","","","","","1.25","","","","has coordinates","206846","2020-10-21","18:00:00",""
"4127200","12.022","0.0005","26.4576","0.0008","18.26","0.0006","90","","97.465","0.003","90","","5758.8","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N6 Ni2 -","- C66 H84 N6 Ni2 -","- C264 H336 N24 Ni8 -","4","1","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.0608","0.0543","","","0.1562","0.1663","","","","","","1.078","","","","has coordinates,has disorder","206848","2020-10-21","18:00:00",""
"4127201","16.3481","0.0003","22.1973","0.0004","35.036","0.0007","90","","90","","90","","12714","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33.54 H32.42 F6 N4 Ni -","- C33.542 H32.416 F6 N4 Ni -","- C536.672 H518.656 F96 N64 Ni16 -","16","2","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.061","0.0444","","","0.1098","0.1183","","","","","","1.009","","","","has coordinates,has disorder","206849","2020-10-21","18:00:00",""
"4127202","8.6475","0.0007","22.8313","0.0017","22.7875","0.0016","90","","98.535","0.003","90","","4449.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C99 H122 N10 Ni4 -","- C99 H122 N10 Ni4 -","- C198 H244 N20 Ni8 -","2","0.5","","Powers, Ian G.; Andjaba, John M.; Luo, Xuyi; Mei, Jianguo; Uyeda, Christopher","Catalytic Azoarene Synthesis from Aryl Azides Enabled by a Dinuclear Ni Complex.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00503","","","1.54178","CuKα","","0.0757","0.0685","","","0.173","0.1773","","","","","","1.032","","","","has coordinates,has disorder","206850","2020-10-21","18:00:00",""
"4127203","9.239","0.002","15.723","0.004","13.879","0.004","90","","92.646","0.003","90","","2014","0.9","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Fe N2 Si4 -","- C40 H56 Fe N2 Si4 -","- C80 H112 Fe2 N4 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.0394","0.0368","","","0.1008","0.1034","","","","","","1.054","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127204","9.24","0.002","15.828","0.003","13.861","0.003","90","","92.037","0.003","90","","2025.9","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 Ru Si4 -","- C40 H56 N2 Ru Si4 -","- C80 H112 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.0919","0.0564","","","0.1043","0.1196","","","","","","1.058","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127205","9.4278","0.0018","11.656","0.002","20.892","0.004","90","","90.4","0.003","90","","2295.8","0.7","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 N2 Ru Si4 -","- C46 H68 N2 Ru Si4 -","- C92 H136 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.074","0.0498","","","0.105","0.1175","","","","","","1.05","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127206","9.5868","0.0016","9.751","0.002","11.415","0.003","81.858","0.015","67.712","0.013","62.781","0.011","877.4","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N2 Ru Si4 -","- C30 H52 N2 Ru Si4 -","- C30 H52 N2 Ru Si4 -","1","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.027","0.0261","","","0.0604","0.0609","","","","","","1.074","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127207","9.516","0.004","24.464","0.007","9.479","0.003","90","","108.589","0.009","90","","2091.6","1.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H64 N2 Ru Si4 -","- C42 H64 N2 Ru Si4 -","- C84 H128 N4 Ru2 Si8 -","2","0.5","","Sunada, Yusuke; Ogushi, Hajime; Yamamoto, Taiji; Uto, Shoko; Sawano, Mina; Tahara, Atsushi; Tanaka, Hiromasa; Shiota, Yoshihito; Yoshizawa, Kazunari; Nagashima, Hideo","Disilaruthena- and ferra-cyclic complexes containing isocyanide lig-ands as effective catalysts for hydrogenation of unfunctionalized ste-rically hindered alkenes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00812","","","0.71075","MoKα","","0.1004","0.0847","","","0.1771","0.1851","","","","","","1.135","","","","has coordinates","206862","2020-10-21","18:00:00",""
"4127208","9.498","0.0004","10.251","0.0004","31.4125","0.0012","97.819","0.003","90.664","0.003","90.093","0.003","3029.8","0.2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 Cl F3 N O3 S -","- C16 H12.5714 Cl1.14286 F3.42857 N1.14286 O3.42857 S1.14286 -","- C112 H88 Cl8 F24 N8 O24 S8 -","7","3.5","","Toriumi, Naoyuki; Asano, Norihito; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu","N-Alkynylpyridinium Salts: Highly Electrophilic Alkyne-Pyridine Conjugates as Precursors of Cationic Nitrogen-Embedded Polycyclic Aromatic Hydrocarbons.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00356","","","1.54187","CuKα","","","0.1514","","","","0.3057","","","","","","1.499","","","","has coordinates","206863","2020-10-21","18:00:00",""
"4127209","7.5795","0.0014","5.7344","0.0012","18.702","0.004","90","","92.404","0.003","90","","812.1","0.3","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0204","0.0201","","","0.0547","0.0549","","","","","","1.094","","","","has coordinates","206929","2020-10-21","18:00:00",""
"4127210","11.7197","0.001","14.6076","0.0015","23.389","0.003","90","","90","","90","","4004.1","0.7","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Cl F4 N4 O P -","- C42 H50 Cl F4 N4 O P -","- C168 H200 Cl4 F16 N16 O4 P4 -","4","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0289","0.0263","","","0.0665","0.0686","","","","","","1.08","","","","has coordinates","206930","2020-10-21","18:00:00",""
"4127211","11.3358","0.0004","15.675","0.0006","16.0379","0.0006","90","","106.301","0.001","90","","2735.19","0.18","170","2","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Ir O P2 -","- C26 H47 Ir O P2 -","- C104 H188 Ir4 O4 P8 -","4","1","","Wang, Yulei; Huang, Zhidao; Leng, Xuebing; Zhu, Huping; Liu, Guixia; Huang, Zheng","Transfer Hydrogenation of Alkenes Using Ethanol Catalyzed by A NCP Pincer Iridium Complex: Scope and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01038","","","1.34139","GaKα","","0.0284","0.0283","","","0.1123","0.1127","","","","","","1.028","","","","has coordinates","206948","2020-10-21","18:00:00",""
"4127212","10.849","0.002","25.462","0.005","11.036","0.002","90","","103.729","0.004","90","","2961.5","1","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cl Ir N O3 P -","- C29 H42 Cl Ir N O3 P -","- C116 H168 Cl4 Ir4 N4 O12 P4 -","4","1","","Wang, Yulei; Huang, Zhidao; Leng, Xuebing; Zhu, Huping; Liu, Guixia; Huang, Zheng","Transfer Hydrogenation of Alkenes Using Ethanol Catalyzed by A NCP Pincer Iridium Complex: Scope and Mechanism.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01038","","","0.71073","MoKα","","0.0762","0.0371","","","0.1009","0.1307","","","","","","0.793","","","","has coordinates","206949","2020-10-21","18:00:00",""
"4127213","19.269","0.0007","24.3606","0.0004","41.316","0.0018","90","","102.261","0.004","90","","18951.5","1.2","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C210 H186 O12 -","- C210 H186 O12 -","- C840 H744 O48 -","4","0.5","","Zhu, Yanpeng; Xia, Zeming; Cai, Zeying; Yuan, Ziyong; Jiang, Nianqiang; Li, Tao; Wang, Yonggen; Guo, Xiaoyu; Li, Zhihao; Ma, Shuang; Zhong, Dingyong; Li, Yang; Wang, Jiaobing","Synthesis and Characterization of Hexapole [7]Helicene, A Circularly Twisted Chiral Nanographene.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b01447","","x-ray","1.54184","CuKα","","0.0606","0.0516","","","0.1481","0.1539","","","","","","1.079","","","","has coordinates,has disorder","207010","2020-10-21","18:00:00",""
"4127214","10.8771","0.0003","15.7831","0.0004","32.4325","0.0008","90","","90","","90","","5567.8","0.2","103","2","103.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0658","0.041","","","0.0825","0.0918","","","","","","1.096","","","","has coordinates,has disorder","207011","2020-10-21","18:00:00",""
"4127215","10.887","0.002","15.832","0.003","32.699","0.007","90","","90","","90","","5636.1","1.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H23 F6 Ir N5 P -","- C30 H23 F6 Ir N5 P -","- C240 H184 F48 Ir8 N40 P8 -","8","1","","Sun, Meng-Jia; Liu, Yingying; Yan, Yaming; Li, Rui; Shi, Qiang; Zhao, Yong Sheng; Zhong, Yu-Wu; Yao, Jiannian","In Situ Visualization of Assembly and Photonic Signal Processing in a Triplet Light-Harvesting Nanosystem.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12519","","","0.71073","MoKα","","0.0925","0.0678","","","0.107","0.116","","","","","","1.221","","","","has coordinates,has disorder","207012","2020-10-21","18:00:00",""
"4127216","8.8337","0.0007","10.0588","0.0008","16.3246","0.0015","91.209","0.002","95.437","0.002","95.278","0.002","1437.2","0.2","296","2","296","2","","","","","","","","2","P -1","-P 1","2","compound 1","hexa-pery-hexabenzo[7]helicene peryleno[1',2',3':10,10a,1]phenanthro[9,8a,8-ab]perylene","","- C48 H24 -","- C48 H24 -","- C96 H48 -","2","1","","Nakakuki, Yusuke; Hirose, Takashi; Sotome, Hikaru; Miyasaka, Hiroshi; Matsuda, Kenji","Hexa-peri-hexabenzo[7]helicene: Homogeneously π-Extended Helicene as a Primary Substructure of Helically Twisted Chiral Graphenes","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13412","","","0.71075","MoKα","","0.1547","0.0839","","","0.1684","0.199","","","","","","1.039","","","","has coordinates","207013","2020-10-21","18:00:00",""
"4127217","19.5521","0.0008","18.7147","0.0009","32.1206","0.0016","90","","105.355","0.005","90","","11333.8","1","150.05","0.1","150.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H116 B6 F24 N24 O7 Zn3 -","- C96 H116 B6 F24 N24 O7 Zn3 -","- C384 H464 B24 F96 N96 O28 Zn12 -","4","1","","Zhang, Liang; August, David; Zhong, Jiankang; Whitehead, George F. S.; Vitorica-Yrezabal, Inigo J; Leigh, David A.","A Molecular Trefoil Knot From a Trimeric Circular Helicate.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00738","","x-ray","1.54184","CuKα","","0.1018","0.0722","","","0.1969","0.2297","","","","","","1.101","","","","has coordinates,has disorder","207029","2020-10-21","18:00:00",""
"4127218","7.9511","0.0016","6.7919","0.0014","8.8449","0.0018","90","","111.6","0.03","90","","444.11","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Matinkhoo, Kaveh; Pryyma, Alla; Todorovic, Mihajlo; Patrick, Brian O.; Perrin, David M.","Synthesis of the Death-Cap Mushroom Toxin α-Amanitin","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12698","","","0.71073","MoKα","","0.0157","0.0157","","","0.0516","0.0517","","","","","","0.507","","","","has coordinates","207040","2020-10-21","18:00:00",""
"4131750","13.4033","0.0014","7.6867","0.0004","17.4828","0.0014","90","","92.257","0.009","90","","1799.8","0.3","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl4 N4 O8 Pb2 -","- C32 H32 Cl4 N4 O8 Pb2 -","- C64 H64 Cl8 N8 O16 Pb4 -","2","0.5","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.1103","0.0768","","","0.178","0.2071","","","","","","1.049","","","","has coordinates","241918","2020-10-21","18:00:00",""
"4131751","4.3181","0.001","22.051","0.006","25.387","0.006","90","","90","","90","","2417.3","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 N2 O5 Pb3 -","- C16 H18 Cl6 N2 O5 Pb3 -","- C64 H72 Cl24 N8 O20 Pb12 -","4","1","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.0451","0.0374","","","0.0962","0.1004","","","","","","0.925","","","","has coordinates","241919","2020-10-21","18:00:00",""
"4131752","9.9474","0.0002","10.9082","0.0002","15.4415","0.0003","90","","90","","90","","1675.53","0.06","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min","Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D.","Journal of the American Chemical Society","2018","140","7","2485","2492","10.1021/jacs.7b10135","","","1.54178","CuKα","","0.0332","0.0328","","","0.1011","0.102","","","","","","0.987","","","","has coordinates","241920","2020-10-21","18:00:00",""
"4131801","9.311","0.002","13.035","0.003","14.124","0.003","98.484","0.007","93.383","0.007","96.918","0.007","1678","0.6","100","2","100","","","","","","","","","6","P 1","P 1","1","","","","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","- C68 H98 F6 N2 O Sb -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0292","0.0283","","","0.0681","0.0687","","","","","","1.049","","","","has coordinates,has disorder","241949","2020-10-21","18:00:00",""
"4131802","15.4517","0.0007","9.0569","0.0004","20.8129","0.0009","90","","105.163","0.003","90","","2811.2","0.2","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H74 Br6.12 N2 -","- C54 H74 Br6.1204 N2 -","- C108 H148 Br12.2408 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0541","0.0328","","","0.0704","0.0778","","","","","","1.02","","","","has coordinates,has disorder","241950","2020-10-21","18:00:00",""
"4131803","10.7485","0.0003","13.164","0.0004","17.4642","0.0006","90","","104.046","0.002","90","","2397.18","0.13","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 N2 -","- C54 H74 N2 -","- C108 H148 N4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0762","0.0537","","","0.1256","0.1429","","","","","","1.052","","","","has coordinates,has disorder","241951","2020-10-21","18:00:00",""
"4131804","12.3025","0.0007","16.8211","0.0009","18.2404","0.001","90.61","0.002","100.148","0.002","99.052","0.003","3666.5","0.4","200","","200","","","","","","","","","3","P 1","P 1","1","","","","- C70 H94 N2 -","- C70 H94 N2 -","- C140 H188 N4 -","2","2","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0709","0.0549","","","0.1479","0.1611","","","","","","1.014","","","","has coordinates","241952","2020-10-21","18:00:00",""
"4131805","9.242","0.003","9.965","0.004","15.328","0.006","94.187","0.008","93.093","0.008","95.429","0.008","1398.9","0.9","100","2","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0421","0.0395","","","0.1013","0.1035","","","","","","1.05","","","","has coordinates,has disorder","241953","2020-10-21","18:00:00",""
"4131806","15.2342","0.0009","9.4798","0.0007","23.3954","0.0016","90","","106.598","0.002","90","","3237.9","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 F12 N2 Sb2 -","- C54 H74 F12 N2 Sb2 -","- C108 H148 F24 N4 Sb4 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","0.71073","MoKα","","0.0554","0.0398","","","0.0924","0.0998","","","","","","1.049","","","","has coordinates,has disorder","241954","2020-10-21","18:00:00",""
"4131807","9.1599","0.0018","9.876","0.002","15.304","0.003","95.2","0.03","94.29","0.03","92.92","0.03","1372.6","0.5","100","","100","","","","","","","","","3","P 1","P 1","1","","","","- C64 H90 N2 -","- C64 H90 N2 -","- C64 H90 N2 -","1","1","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0362","0.0347","","","0.0874","0.0888","","","","","","1.032","","","","has coordinates,has disorder","241955","2020-10-21","18:00:00",""
"4131808","9.8881","0.0004","21.821","0.0007","18.424","0.0006","90","","92.142","0.002","90","","3972.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H76 Cl4 N6 O4 -","- C70 H76 Cl4 N6 O4 -","- C140 H152 Cl8 N12 O8 -","2","0.5","","Hansmann, Max M.; Melaimi, Mohand; Munz, Dominik; Bertrand, Guy","Modular Approach to Kekulé Diradicaloids Derived from Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","7","2546","2554","10.1021/jacs.7b11183","","x-ray","1.54178","CuKα","","0.0814","0.0546","","","0.1374","0.1506","","","","","","1.042","","","","has coordinates,has disorder","241956","2020-10-21","18:00:00",""
"4131823","33.0793","0.0005","33.0793","0.0005","34.2247","0.0008","90","","90","","120","","32432.7","1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C342 H334 Cl16 Co8 N72 O29 -","- C342 H288 Cl13.9998 Co8 N72 O28.9994 -","- C1026 H864 Cl41.9994 Co24 N216 O86.9982 -","3","0.166667","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.159","0.1299","","","0.3901","0.4097","","","","","","1.622","","","","has coordinates,has disorder","241958","2020-10-21","18:00:00",""
"4131824","32.939","0.003","29.973","0.002","40.4","0.003","90","","96.126","0.003","90","","39658","5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C174 H170 B0.5 Co4 F2 I7.5 N36 O14 -","- C174 H152 B0.5 Co4 F2 I7.5 N36 O14 -","- C1392 H1216 B4 Co32 F16 I60 N288 O112 -","8","1","","Cullen, William; Metherell, Alexander J.; Wragg, Ashley B.; Taylor, Christopher G. P.; Williams, Nicholas H.; Ward, Michael D.","Catalysis in a Cationic Coordination Cage Using a Cavity-Bound Guest and Surface-Bound Anions: Inhibition, Activation, and Autocatalysis.","Journal of the American Chemical Society","2018","140","8","2821","2828","10.1021/jacs.7b11334","","","0.71073","MoKα","","0.1656","0.0957","","","0.2535","0.2983","","","","","","1.026","","","","has coordinates,has disorder","241959","2020-10-21","18:00:00",""
"4131826","17.9397","0.0019","10.0271","0.001","13.5393","0.0014","90","","90","","90","","2435.5","0.4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H26 F6 Fe N4 O7 S2 -","- C17 H26 F6 Fe N4 O7 S2 -","- C68 H104 F24 Fe4 N16 O28 S8 -","4","1","","Fan, Ruixi; Serrano-Plana, Joan; Oloo, Williamson N.; Draksharapu, Apparao; Delgado-Pinar, Estefanía; Company, Anna; Martin-Diaconescu, Vlad; Borrell, Margarida; Lloret-Fillol, Julio; García-España, Enrique; Guo, Yisong; Bominaar, Emile L.; Que, Jr, Lawrence; Costas, Miquel; Münck, Eckard","Spectroscopic and DFT Characterization of a Highly Reactive Nonheme Fe<sup>V</sup>-Oxo Intermediate.","Journal of the American Chemical Society","2018","140","11","3916","3928","10.1021/jacs.7b11400","","","0.71073","MoKα","","0.0264","0.0252","","","0.0614","0.062","","","","","","1.053","","","","has coordinates","241961","2020-10-21","18:00:00",""
"4131827","10.0025","0.0003","12.9467","0.0003","16.8634","0.0003","80.333","0.002","76.467","0.002","84.106","0.002","2088.44","0.09","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H39 F3 N6 O8 S Zn2 -","- C38 H39 F3 N6 O8 S Zn2 -","- C76 H78 F6 N12 O16 S2 Zn4 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.038","0.0363","","","0.0959","0.0985","","","","","","1.031","","","","has coordinates","241962","2020-10-21","18:00:00",""
"4131828","9.95848","0.0002","13.0629","0.0002","18.7207","0.0003","97.0851","0.0015","97.0567","0.0015","95.8092","0.0016","2381.61","0.07","85","2","85","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H51 F3 Fe2 N6 O9 S -","- C44 H51 F3 Fe2 N6 O9 S -","- C88 H102 F6 Fe4 N12 O18 S2 -","2","1","","White, Corey J.; Speelman, Amy L.; Kupper, Claudia; Demeshko, Serhiy; Meyer, Franc; Shanahan, James P.; Alp, E. Ercan; Hu, Michael; Zhao, Jiyong; Lehnert, Nicolai","The Semireduced Mechanism for Nitric Oxide Reduction by Non-Heme Diiron Complexes: Modeling Flavodiiron Nitric Oxide Reductases.","Journal of the American Chemical Society","2018","140","7","2562","2574","10.1021/jacs.7b11464","","","1.54184","CuKα","","0.0544","0.0522","","","0.1458","0.1494","","","","","","1.046","","","","has coordinates,has disorder","241963","2020-10-21","18:00:00",""
"4131830","11.4694","0.0006","36.8012","0.0018","11.974","0.0006","90","","106.846","0.002","90","","4837.2","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H75.66 Nd O3.33 -","- C63 H75.66 Nd O3.33 -","- C252 H302.64 Nd4 O13.32 -","4","1","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","x-ray","0.71073","MoKα","","0.0525","0.0461","","","0.0829","0.0844","","","","","","1.35","","","","has coordinates,has disorder","241965","2020-10-21","18:00:00",""
"4131831","19.894","0.003","19.894","0.003","19.894","0.003","90","","90","","90","","7873","2","133","2","133","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C81 H112 K N2 Nd O10 -","- C81 H112 K N2 Nd O10 -","- C324 H448 K4 N8 Nd4 O40 -","4","0.333333","","Halter, Dominik P.; Palumbo, Chad T.; Ziller, Joseph W.; Gembicky, Milan; Rheingold, Arnold L.; Evans, William J.; Meyer, Karsten","Electrocatalytic H<sub>2</sub>O Reduction with f-Elements: Mechanistic Insight and Overpotential Tuning in a Series of Lanthanide Complexes.","Journal of the American Chemical Society","2018","140","7","2587","2594","10.1021/jacs.7b11532","","","0.71073","MoKα","","0.0434","0.0329","","","0.0669","0.0709","","","","","","1.049","","","","has coordinates","241966","2020-10-21","18:00:00",""
"4131832","18.8699","0.0009","18.8699","0.0009","33.0822","0.0013","90","","90","","90","","11779.7","0.9","120","2","120","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","MFM-133(Hf)","","","- C91 H141 Hf3 N9 O25 -","- C46 H34 Hf3 O16 -","- C184 H136 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","1.54184","CuKα","","0.0841","0.052","","","0.1241","0.1339","","","","","","0.907","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131833","19.5041","0.0013","19.5041","0.0013","32.072","0.003","90","","90","","90","","12200.5","1.6","295","2","295","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 Hf6 O32 -","- C176 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2378","0.1388","","","0.3201","0.3972","","","","","","1.062","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131834","19.4378","0.0011","19.4378","0.0011","32.104","0.002","90","","90","","90","","12129.8","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.165","0.132","","","0.3347","0.3654","","","","","","1.475","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131835","19.3567","0.0016","19.3567","0.0016","32.036","0.004","90","","90","","90","","12003","2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2197","0.1606","","","0.402","0.4427","","","","","","1.432","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131836","19.465","0.002","19.465","0.002","32.371","0.005","90","","90","","90","","12265","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.415","0.2877","","","0.524","0.6662","","","","","","1.244","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131837","19.343","0.0008","19.343","0.0008","32.3072","0.0019","90","","90","","90","","12087.8","1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H56 Hf6 O32 -","- C184 H112 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1321","0.1086","","","0.2772","0.3039","","","","","","1.073","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131838","19.3785","0.001","19.3785","0.001","32.523","0.002","90","","90","","90","","12213.2","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C50 H28 Hf3 O16 -","- C200 H112 Hf12 O64 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1566","0.1084","","","0.295","0.343","","","","","","1.167","","","","has coordinates","241967","2020-10-21","18:00:00",""
"4131839","19.177","0.002","19.177","0.002","32.827","0.005","90","","90","","90","","12072","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3583","0.2051","","","0.4583","0.5498","","","","","","0.964","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131840","19.1867","0.0013","19.1867","0.0013","32.543","0.003","90","","90","","90","","11980","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","","0.71073","MoKα","","0.3713","0.18","","","0.3851","0.4902","","","","","","1.079","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131841","19.1631","0.001","19.1631","0.001","32.547","0.002","90","","90","","90","","11952.1","1.1","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.1699","0.1397","","","0.3629","0.3875","","","","","","1.573","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131842","19.082","0.0012","19.082","0.0012","32.674","0.003","90","","90","","90","","11897.3","1.5","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2067","0.1708","","","0.4262","0.4548","","","","","","1.799","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131843","18.9396","0.0011","18.9396","0.0011","32.817","0.002","90","","90","","90","","11771.7","1.2","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2039","0.1637","","","0.4166","0.4608","","","","","","1.906","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131844","19.079","0.003","19.079","0.003","32.905","0.005","90","","90","","90","","11978","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","synchrotron","","0.236","0.145","","","0.331","0.421","","","","","","1.052","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131845","18.932","0.0012","18.932","0.0012","33.138","0.002","90","","90","","90","","11877.3","1.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C92 H68 Hf6 O32 -","- C184 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1961","0.1269","","","0.3382","0.3995","","","","","","1.295","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131846","18.8445","0.0013","18.8445","0.0013","32.896","0.003","90","","90","","90","","11681.9","1.6","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C96 H68 Hf6 O32 -","- C192 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.2108","0.1723","","","0.422","0.4635","","","","","","1.824","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131847","18.243","0.002","18.243","0.002","33.845","0.006","90","","90","","90","","11264","3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C88 H72 Hf6 O32 -","- C88 H68 Hf6 O32 -","- C176 H136 Hf12 O64 -","2","0.125","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.4143","0.2035","","","0.434","0.5424","","","","","","1.339","","","","has coordinates,has disorder","241967","2020-10-21","18:00:00",""
"4131848","19.0173","0.0006","19.0173","0.0006","32.8783","0.0009","90","","90","","90","","11890.7","0.6","120","","120","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","1.54184","CuKα","","0.069","0.0448","","","0.1147","0.1258","","","","","","0.899","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131849","19.4481","0.0019","19.4481","0.0019","32.575","0.006","90","","90","","90","","12321","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3649","0.1801","","","0.374","0.4885","","","","","","0.989","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131850","19.3348","0.0012","19.3348","0.0012","32.768","0.005","90","","90","","90","","12250","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3788","0.2144","","","0.4531","0.5525","","","","","","1.301","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131851","19.188","0.0012","19.188","0.0012","32.964","0.006","90","","90","","90","","12137","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3406","0.178","","","0.3998","0.4999","","","","","","1.293","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131852","19.1326","0.0013","19.1326","0.0013","33.039","0.006","90","","90","","90","","12094","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3791","0.2042","","","0.4157","0.5289","","","","","","1.296","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131853","18.9366","0.0011","18.9366","0.0011","32.864","0.003","90","","90","","90","","11784.9","1.4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.3834","0.145","","","0.3638","0.4959","","","","","","0.937","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131854","19.1146","0.0012","19.1146","0.0012","33.047","0.005","90","","90","","90","","12074","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3472","0.1776","","","0.3963","0.5058","","","","","","1.271","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131855","19.0765","0.0014","19.0765","0.0014","33.061","0.005","90","","90","","90","","12031","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3804","0.191","","","0.4183","0.5421","","","","","","1.3","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131856","19.037","0.0014","19.037","0.0014","33.159","0.005","90","","90","","90","","12017","2","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3506","0.1662","","","0.382","0.4981","","","","","","1.18","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131857","19.0243","0.0015","19.0243","0.0015","33.174","0.006","90","","90","","90","","12006","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3295","0.1638","","","0.3932","0.4967","","","","","","1.217","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131858","19.041","0.0014","19.041","0.0014","33.134","0.006","90","","90","","90","","12013","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3397","0.1642","","","0.3871","0.4932","","","","","","1.204","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131859","19.0375","0.0016","19.0375","0.0016","33.133","0.006","90","","90","","90","","12008","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2268","0.1198","","","0.34","0.4225","","","","","","1.085","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131860","19.0042","0.0019","19.0042","0.0019","33.152","0.007","90","","90","","90","","11973","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.3408","0.1411","","","0.3478","0.4666","","","","","","1.071","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131861","18.779","0.003","18.779","0.003","33.087","0.007","90","","90","","90","","11668","4","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.71073","MoKα","","0.302","0.1109","","","0.2928","0.3934","","","","","","0.9","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131862","18.8806","0.001","18.8806","0.001","33.2413","0.0018","90","","90","","90","","11849.8","1.1","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1607","0.1168","","","0.3625","0.4047","","","","","","1.352","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131863","18.9111","0.0011","18.9111","0.0011","33.1966","0.0017","90","","90","","90","","11872.1","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2495","0.2185","","","0.5607","0.5855","","","","","","2.211","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131864","18.9092","0.0011","18.9092","0.0011","33.2222","0.0018","90","","90","","90","","11878.9","1.2","293","","293","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.1488","0.1018","","","0.3283","0.3709","","","","","","1.219","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131865","19.1734","0.0016","19.1734","0.0016","33.032","0.006","90","","90","","90","","12143","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2984","0.1407","","","0.3593","0.4563","","","","","","1.135","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131866","19.28","0.0017","19.28","0.0017","32.89","0.006","90","","90","","90","","12226","3","293.15","","293.15","","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C46 H34 O16 Zr3 -","- C46 H34 O16 Zr3 -","- C184 H136 O64 Zr12 -","4","0.25","","Yan, Yong; O'Connor, Alice E; Kanthasamy, Gopikkaa; Atkinson, George; Allan, David R.; Blake, Alexander J.; Schröder, Martin","Unusual and Tunable Negative Linear Compressibility in the Metal-Organic Framework MFM-133(M) (M = Zr, Hf).","Journal of the American Chemical Society","2018","140","11","3952","3958","10.1021/jacs.7b11747","","x-ray","0.6889","","","0.2951","0.1447","","","0.3597","0.4517","","","","","","1.125","","","","has coordinates,has disorder","241968","2020-10-21","18:00:00",""
"4131867","29.854","0.005","10.5623","0.0015","23.234","0.006","90","","129.007","0.008","90","","5693","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 B F10 N -","- C29 H28 B F10 N -","- C232 H224 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0867","0.0526","","","0.1107","0.1281","","","","","","1.032","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131868","30.8901","0.0008","10.7574","0.0003","23.1166","0.0009","90","","129.511","0.001","90","","5926.4","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 B F10 N -","- C30 H32 B F10 N -","- C240 H256 B8 F80 N8 -","8","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0996","0.0596","","","0.1129","0.1329","","","","","","1.08","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131869","16.6005","0.0008","15.9553","0.0008","22.3028","0.001","90","","108.385","0.002","90","","5605.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 B F15 N -","- C30 H21 B F15 N -","- C240 H168 B8 F120 N8 -","8","2","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.1005","0.0554","","","0.1292","0.1527","","","","","","1.028","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131870","13.1325","0.0004","14.4932","0.0004","16.2201","0.0005","90","","107.206","0.001","90","","2949.04","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C128 H120 B4 F40 N4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0564","0.0441","","","0.0948","0.1002","","","","","","1.07","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131871","9.4038","0.0003","10.8415","0.0003","18.5386","0.0006","96.508","0.001","101.595","0.001","105.266","0.001","1758.27","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 B F10 N -","- C40 H34 B F10 N -","- C80 H68 B2 F20 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0836","0.0639","","","0.1293","0.1458","","","","","","1.101","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131872","21.1713","0.0005","9.5824","0.0002","20.2501","0.0003","90","","117.812","0.0001","90","","3633.61","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 B F10 N O -","- C42 H36 B F10 N O -","- C168 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0914","0.0581","","","0.1004","0.1151","","","","","","1.05","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131873","13.959","0.0003","14.6616","0.0003","17.3506","0.0004","90","","102.255","0.001","90","","3470.08","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 B F10 N O -","- C38 H36 B F10 N O -","- C152 H144 B4 F40 N4 O4 -","4","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0462","0.0374","","","0.0942","0.099","","","","","","1.048","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131874","10.0116","0.0002","10.3869","0.0002","16.58","0.0005","75.778","0.001","79.29","0.001","83.508","0.002","1638.07","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 B F10 N O -","- C37 H36 B F10 N O -","- C74 H72 B2 F20 N2 O2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","0.71073","MoKα","","0.0651","0.0511","","","0.1079","0.1186","","","","","","1.097","","","","has coordinates,has disorder","241969","2020-10-21","18:00:00",""
"4131875","11.3453","0.0011","12.0116","0.0012","16.1572","0.0017","74.992","0.005","72.799","0.005","85.628","0.005","2031.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H42 B2 F15 N -","- C43 H42 B2 F15 N -","- C86 H84 B4 F30 N2 -","2","1","","Wang, Tongdao; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Kehr, Gerald; Erker, Gerhard","Formation of Reactive π-Conjugated Frustrated N/B Pairs by Borane-Induced Propargyl Amine Rearrangement.","Journal of the American Chemical Society","2018","140","10","3635","3643","10.1021/jacs.7b11958","","","1.54178","CuKα","","0.0754","0.0517","","","0.1275","0.1382","","","","","","1.046","","","","has coordinates","241969","2020-10-21","18:00:00",""
"4131876","34.8679","0.0016","34.8679","0.0016","14.1884","0.0009","90","","90","","90","","17249.8","1.6","150","2","150","2","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C46 H248 N23 Na9 O254 P4 Se4 W64 -","- C24 N12 Na5 O249.4 P4 Se4 W64 -","- C48 N24 Na10 O498.8 P8 Se8 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.0788","0.0588","","","0.1309","0.1488","","","","","","1.196","","","","has coordinates","241970","2020-10-21","18:00:00",""
"4131877","15.2204","0.0006","37.8175","0.0016","29.2768","0.0013","90","","103.518","0.002","90","","16384.8","1.2","150","2","150","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C26 H168 N13 Na19 O254 P4 Te4 W64 -","- C1.6 N0.9 Na4.2 O264.3 P4 Te4 W64 -","- C3.2 N1.8 Na8.4 O528.6 P8 Te8 W128 -","2","0.5","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1198","0.0979","","","0.2011","0.214","","","","","","1.253","","","","has coordinates","241971","2020-10-21","18:00:00",""
"4131878","34.7924","0.0017","34.7924","0.0017","14.1405","0.0009","90","","90","","90","","17117.2","1.6","150","2","150","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C30 H188 N15 Na17 O254 P8 W64 -","- C19.2 N9.6 O241.2 P8 W64 -","- C38.4 N19.2 O482.4 P16 W128 -","2","0.25","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1571","0.0855","","","0.181","0.2189","","","","","","1.12","","","","has coordinates","241972","2020-10-21","18:00:00",""
"4131879","57.258","0.003","15.0627","0.0008","77.278","0.004","90","","91.453","0.006","90","","66628","6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H276 As4 N19 Na17 O284 P4 W64 -","- C6.7 As4 N3.35 Na8.55 O276.85 P4 W64 -","- C53.6 As32 N26.8 Na68.4 O2214.8 P32 W512 -","8","1","","Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy","Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.","Journal of the American Chemical Society","2018","140","7","2595","2601","10.1021/jacs.7b11982","","","0.71073","MoKα","","0.1195","0.0693","","","0.1527","0.1804","","","","","","1.029","","","","has coordinates","241973","2020-10-21","18:00:00",""
"4131880","18.981","0.005","25.97","0.007","21.424","0.006","90","","110.983","0.004","90","","9860","5","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","- C260 H378 Cl12 N56 O71.5 S14 -","1","0.5","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","0.44281","synchrotron","","0.1665","0.1308","","","0.3394","0.3905","","","","","","1.029","","","","has coordinates,has disorder","241974","2020-10-21","18:00:00",""
"4131881","17.0979","0.0005","17.0979","0.0005","28.8128","0.0011","90","","90","","90","","8423.1","0.5","100","2","99.99","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C123 H166 Cl7 N33 O30 S7 -","- C123 H166 Cl7 N33 O30 S7 -","- C246 H332 Cl14 N66 O60 S14 -","2","0.25","","Teng, Peng; Niu, Zheng; She, Fengyu; Zhou, Mi; Sang, Peng; Gray, Geoffrey M.; Verma, Gaurav; Wojtas, Lukasz; van der Vaart, Arjan; Ma, Shengqian; Cai, Jianfeng","Hydrogen-Bonding-Driven 3D Supramolecular Assembly of Peptidomimetic Zipper.","Journal of the American Chemical Society","2018","140","17","5661","5665","10.1021/jacs.7b11997","","","1.54178","CuKα","","0.1558","0.1106","","","0.3013","0.3544","","","","","","1.094","","","","has coordinates,has disorder","241975","2020-10-21","18:00:00",""
"4131883","31.446","0.006","31.446","0.006","49.095","0.009","90","","90","","120","","42043","14","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C252 H246 Ag26 P6 Pt S18 -","- C252 H246 Ag26 P6 Pt S18 -","- C1512 H1476 Ag156 P36 Pt6 S108 -","6","0.166667","","He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun","Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters.","Journal of the American Chemical Society","2018","140","10","3487","3490","10.1021/jacs.7b12083","","","0.71073","MoKα","","0.0626","0.0521","","","0.1195","0.1262","","","","","","1.107","","","","has coordinates","241977","2020-10-21","18:00:00",""
"4131884","6.1913","0.0008","8.7775","0.001","17.654","0.002","90","","96.821","0.006","90","","952.6","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Tsai, Erica Y.; Liu, Richard Y.; Yang, Yang; Buchwald, Stephen L.","A Regio- and Enantioselective CuH-Catalyzed Ketone Allylation with Terminal Allenes.","Journal of the American Chemical Society","2018","140","6","2007","2011","10.1021/jacs.7b12271","","","1.54178","CuKα","","0.0359","0.035","","","0.0943","0.0952","","","","","","1.06","","","","has coordinates,has disorder","241978","2020-10-21","18:00:00",""
"4131885","10.9587","0.0004","19.3545","0.0007","19.5983","0.0009","90","","96.063","0.002","90","","4133.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 B6 O12 -","- C36 H60 B6 O12 -","- C144 H240 B24 O48 -","4","1","","Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P.","Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope.","Journal of the American Chemical Society","2018","140","10","3663","3673","10.1021/jacs.7b12316","","","1.54178","CuKα","","0.1049","0.0667","","","0.1701","0.1951","","","","","","1.026","","","","has coordinates,has disorder","241979","2020-10-21","18:00:00",""
"4131886","6.4976","0.0003","14.353","0.0007","24.8911","0.0012","90","","90","","90","","2321.35","0.19","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0533","0.0369","","","0.0767","0.0812","","","","","","1.022","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131887","6.5333","0.0002","14.3788","0.0004","24.7773","0.0012","90","","90","","90","","2327.6","0.15","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H23 Au F3 N O2 -","- C26 H23 Au F3 N O2 -","- C104 H92 Au4 F12 N4 O8 -","4","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0445","0.0331","","","0.0714","0.0754","","","","","","1.055","","","","has coordinates,has disorder","241980","2020-10-21","18:00:00",""
"4131888","8.7329","0.0002","9.2722","0.0002","11.9521","0.0003","87.876","0.002","81.512","0.002","82.835","0.002","949.55","0.04","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71073","MoKα","","0.0212","0.0195","","","0.0448","0.0452","","","","","","1.064","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131889","8.7264","0.0006","9.3243","0.0006","11.9764","0.0009","87.967","0.002","81.741","0.002","82.7141","0.0019","956.45","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Au F3 N -","- C24 H15 Au F3 N -","- C48 H30 Au2 F6 N2 -","2","1","","Jin, Mingoo; Sumitani, Toshiki; Sato, Hiroyasu; Seki, Tomohiro; Ito, Hajime","Mechanical-Stimulation-Triggered and Solvent-Vapor-Induced Reverse Single-Crystal-to-Single-Crystal Phase Transitions with Alterations of the Luminescence Color.","Journal of the American Chemical Society","2018","140","8","2875","2879","10.1021/jacs.7b12455","","","0.71075","MoKα","","0.0784","0.0746","","","0.1792","0.1899","","","","","","1.072","","","","has coordinates","241980","2020-10-21","18:00:00",""
"4131890","10.9543","0.0002","23.5971","0.0006","20.4838","0.0006","90","","95.962","0.002","90","","5266.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C88 H142 N8 Ni2 O12 -","- C88 H142 N8 Ni2 O12 -","- C176 H284 N16 Ni4 O24 -","2","1","","Lin, Xiaobin; Tang, Yu; Yang, Wei; Tan, Fei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral Nickel(II) Complex Catalyzed Enantioselective Doyle-Kirmse Reaction of α-Diazo Pyrazoleamides.","Journal of the American Chemical Society","2018","140","9","3299","3305","10.1021/jacs.7b12486","","x-ray","1.54184","CuKα","","0.0951","0.0699","","","0.1958","0.2174","","","","","","1.061","","","","has coordinates","241981","2020-10-21","18:00:00",""
"4131891","12.783","0.012","9.491","0.009","17.67","0.017","90","","90","","90","","2144","4","333","2","333","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H12 Br6 Cd N2 -","- C8 H12 Br6 Cd N2 -","- C32 H48 Br24 Cd4 N8 -","4","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.3372","0.2697","","","0.5764","0.6013","","","","","","1.944","","","","has coordinates","241982","2020-10-21","18:00:00",""
"4131892","9.59","0.0004","9.59","0.0004","7.0146","0.0005","90","","90","","120","","558.69","0.05","373","2","373","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br3 Cd Cl N -","- C3.9984 H10.9956 Br3 Cd Cl0.9996 N0.9996 -","- C7.9968 H21.9912 Br6 Cd2 Cl1.9992 N1.9992 -","2","0.0833333","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0735","0.0644","","","0.1936","0.2059","","","","","","1.204","","","","has coordinates,has disorder","241983","2020-10-21","18:00:00",""
"4131893","9.514","0.0004","9.514","0.0004","7.0191","0.0005","90","","90","","120","","550.22","0.05","273","2","273","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99999 N -","- C8.00004 Br6 Cd2 Cl1.99998 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0802","0.0697","","","0.1937","0.2043","","","","","","1.06","","","","has coordinates","241984","2020-10-21","18:00:00",""
"4131894","9.402","0.002","9.402","0.002","6.977","0.007","90","","90","","120","","534.1","0.6","93","2","93","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C4 H11 Br3 Cd Cl N -","- C4.00002 Br3 Cd Cl0.99996 N -","- C8.00004 Br6 Cd2 Cl1.99992 N2 -","2","0.166667","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.0625","0.0563","","","0.1479","0.1527","","","","","","1.111","","","","has coordinates","241985","2020-10-21","18:00:00",""
"4131895","9.539","0.007","17.604","0.014","12.628","0.01","90","","92.695","0.015","90","","2118","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Br12 Cd2 N4 -","- C16 H44 Br12 Cd2 N4 -","- C32 H88 Br24 Cd4 N8 -","2","0.5","","Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen","Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.","Journal of the American Chemical Society","2018","140","11","3975","3980","10.1021/jacs.7b12524","","","0.71073","MoKα","","0.2183","0.1618","","","0.4097","0.4441","","","","","","1.404","","","","has coordinates","241986","2020-10-21","18:00:00",""
"4131896","7.3514","0.0002","8.0601","0.0002","21.3723","0.0005","90","","94.7647","0.0013","90","","1262","0.06","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H9 N2 S2 -","- C17 H9 N2 S2 -","- C68 H36 N8 S8 -","4","2","","Beldjoudi, Yassine; Nascimento, Mitchell A.; Cho, Yong Joo; Yu, Hyeonghwa; Aziz, Hany; Tonouchi, Daiki; Eguchi, Keitaro; Matsushita, Michio M.; Awaga, Kunio; Osorio-Roman, Igor; Constantinides, Christos P.; Rawson, Jeremy M.","Multifunctional Dithiadiazolyl Radicals: Fluorescence, Electroluminescence, and Photoconducting Behavior in Pyren-1'-yl-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","20","6260","6270","10.1021/jacs.7b12592","","","1.54178","CuKα","","0.0429","0.0385","","","0.1041","0.1068","","","","","","1.074","","","","has coordinates","241987","2020-10-21","18:00:00",""
"4131897","7.3589","0.0002","19.2305","0.0003","19.2279","0.0004","90","","93.221","0.002","90","","2716.74","0.1","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cu F3 N5 O6 S -","- C25 H28 Cu F3 N5 O6 S -","- C100 H112 Cu4 F12 N20 O24 S4 -","4","1","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.34143","GaKα","","0.0577","0.047","","0.109","0.0976","0.109","","","","","","1.0087","","","","has coordinates","241988","2020-10-21","18:00:00",""
"4131898","26.0869","0.0015","14.8694","0.0009","8.1356","0.0005","90","","108.012","0.003","90","","3001.1","0.3","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H29 Cu2 N5 O8 -","- C29 H29 Cu2 N5 O8 -","- C116 H116 Cu8 N20 O32 -","4","0.5","","Nijs, Thomas; Klein, Y. Maximilian; Mousavi, S. Fatemeh; Ahsan, Aisha; Nowakowska, Sylwia; Constable, Edwin C.; Housecroft, Catherine E.; Jung, Thomas A.","The Different Faces of 4'-Pyrimidinyl-Functionalized 4,2':6',4''-Terpyridines: Metal-Organic Assemblies from Solution and on Au(111) and Cu(111) Surface Platforms.","Journal of the American Chemical Society","2018","140","8","2933","2939","10.1021/jacs.7b12624","","","1.54178","CuKα","","0.052","0.0495","","0.1261","0.125","0.1258","","","","","","1.0222","","","","has coordinates,has disorder","241989","2020-10-21","18:00:00",""
"4131899","12.1758","0.0003","10.373","0.0003","14.1803","0.0004","90","","112.952","0.001","90","","1649.18","0.08","198","2","198.26","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","2","","Song, Jin; Zhang, Zi-Jing; Chen, Shu-Sen; Fan, Tao; Gong, Liu-Zhu","Lewis Base/Copper Cooperatively Catalyzed Asymmetric α-Amination of Esters with Diaziridinone.","Journal of the American Chemical Society","2018","140","9","3177","3180","10.1021/jacs.7b12628","","","1.54178","CuKα","","0.0779","0.0689","","","0.1795","0.1908","","","","","","1.048","","","","has coordinates","241990","2020-10-21","18:00:00",""
"4131900","25.7797","0.0005","34.9694","0.0006","12.4506","0.0002","90","","101.77","0.007","90","","10988.2","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C188 H142 Eu4 F36 N12 O35 -","- C188 H142 Eu4 F36 N12 O35 -","- C376 H284 Eu8 F72 N24 O70 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0211","0.0205","","","0.0512","0.0514","","","","","","1.025","","","","has coordinates","241992","2020-10-21","18:00:00",""
"4131901","33.7188","0.0006","32.0387","0.0006","22.5439","0.0004","90","","102.13","0.007","90","","23810.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0267","0.024","","","0.0485","0.0491","","","","","","0.984","","","","has coordinates,has disorder","241993","2020-10-21","18:00:00",""
"4131902","25.759","0.0005","35.1455","0.0006","12.463","0.0002","90","","102.001","0.007","90","","11036.3","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 F36 N12 O34 Sm4 -","- C184 H132 F36 N12 O34 Sm4 -","- C368 H264 F72 N24 O68 Sm8 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0268","0.0252","","","0.0534","0.0538","","","","","","1.023","","","","has coordinates","241994","2020-10-21","18:00:00",""
"4131903","25.7603","0.0005","35.035","0.0006","12.4435","0.0002","90","","101.626","0.007","90","","11000","0.4","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H132 Eu4 F36 N12 O34 -","- C184 H132 Eu4 F36 N12 O34 -","- C368 H264 Eu8 F72 N24 O68 -","2","0.5","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0228","0.0221","","","0.0498","0.05","","","","","","1.033","","","","has coordinates","241995","2020-10-21","18:00:00",""
"4131904","33.9451","0.0006","31.7821","0.0006","22.4739","0.0004","90","","102.275","0.007","90","","23691.6","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C184 H128 F36 N12 O36 Yb4 -","- C184 H128 F36 N12 O36 Yb4 -","- C736 H512 F144 N48 O144 Yb16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.046","0.0387","","","0.0792","0.0813","","","","","","0.978","","","","has coordinates,has disorder","241996","2020-10-21","18:00:00",""
"4131905","33.7309","0.0006","32.1542","0.0006","22.2394","0.0004","90","","101.685","0.007","90","","23620.8","1","123","","123","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C187 H112 F36 N12 O44 Y4 -","- C187 H112 F36 N12 O44 Y4 -","- C748 H448 F144 N48 O176 Y16 -","4","1","","Bing, Tan Yan; Kawai, Tsuyoshi; Yuasa, Junpei","Ligand-to-Ligand Interactions That Direct Formation of D<sub>2</sub>-Symmetrical Alternating Circular Helicate.","Journal of the American Chemical Society","2018","140","10","3683","3689","10.1021/jacs.7b12663","","","0.71075","MoKα","","0.0705","0.0512","","","0.1136","0.1197","","","","","","0.972","","","","has coordinates,has disorder","241997","2020-10-21","18:00:00",""
"4131906","17.3755","0.0007","19.9053","0.0007","22.8678","0.0009","64.5031","0.0012","88.255","0.0014","75.2468","0.0012","6875.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C250.03 H329.15 Cl16.96 N32 O38.38 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","- C250.028 H329.156 Cl16.956 N32 O38.376 Tb2 -","1","0.5","","Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro","Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement.","Journal of the American Chemical Society","2018","140","8","2995","3007","10.1021/jacs.7b12667","","","0.78132","Synchrotron","","0.157","0.1202","","","0.2924","0.3215","","","","","","1.03","","","","has coordinates,has disorder","241998","2020-10-21","18:00:00",""
"4131907","10.0679","0.0004","12.6568","0.0004","15.6766","0.0005","98.834","0.003","106.858","0.003","104.372","0.003","1796.31","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.52 H35.81 Cl Fe N4 O7.38 -","- C38.524 H35.81 Cl Fe N4 O7.381 -","- C77.048 H71.62 Cl2 Fe2 N8 O14.762 -","2","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","1.54178","CuKα","","0.0555","0.0504","","","0.141","0.1461","","","","","","1.026","","","","has coordinates,has disorder","241999","2020-10-21","18:00:00",""
"4131908","10.112","0.0003","22.0629","0.0006","16.4935","0.0004","90","","104.954","0.003","90","","3555.08","0.17","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.38 H35.62 Cl Fe N5.38 O5.62 -","- C39.382 H35.618 Cl Fe N5.382 O5.618 -","- C157.528 H142.472 Cl4 Fe4 N21.528 O22.472 -","4","1","","Pangia, Thomas M.; Davies, Casey G.; Prendergast, Joshua R.; Gordon, Jesse B.; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Observation of Radical Rebound in a Mononuclear Nonheme Iron Model Complex.","Journal of the American Chemical Society","2018","140","12","4191","4194","10.1021/jacs.7b12707","","","0.71073","MoKα","","0.0436","0.0361","","","0.0884","0.0927","","","","","","1.036","","","","has coordinates,has disorder","242000","2020-10-21","18:00:00",""
"4131909","15.6805","0.0011","10.4626","0.0007","21.9659","0.0015","90","","101.322","0.002","90","","3533.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 B F2 N3 O4 -","- C39 H46 B F2 N3 O4 -","- C156 H184 B4 F8 N12 O16 -","4","1","","Collot, Mayeul; Fam, Tkhe Kyong; Ashokkumar, Pichandi; Faklaris, Orestis; Galli, Thierry; Danglot, Lydia; Klymchenko, Andrey S.","Ultrabright and Fluorogenic Probes for Multicolor Imaging and Tracking of Lipid Droplets in Cells and Tissues.","Journal of the American Chemical Society","2018","140","16","5401","5411","10.1021/jacs.7b12817","","","0.71073","MoKα","","0.1126","0.072","","","0.1877","0.2158","","","","","","1.038","","","","has coordinates","242001","2020-10-21","18:00:00",""
"4131910","20.747","0.004","20.747","0.004","14.67","0.003","90","","135","0.03","90","","4465","3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C44 H4.6 O44.5 Zr6 -","- C44 H4.6 O44.4998 Zr6 -","- C88 H9.2 O88.9996 Zr12 -","2","0.5","","Albalad, Jorge; Xu, Heng; Gándara, Felipe; Haouas, Mohamed; Martineau-Corcos, Charlotte; Mas-Ballesté, Rubén; Barnett, Sarah A.; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel","Single-Crystal-to-Single-Crystal Postsynthetic Modification of a Metal-Organic Framework via Ozonolysis.","Journal of the American Chemical Society","2018","140","6","2028","2031","10.1021/jacs.7b12913","","","0.6199","","","0.0766","0.0616","","","0.162","0.1791","","","","","","1.015","","","","has coordinates,has disorder","242002","2020-10-21","18:00:00",""
"4131911","14.493","0.005","14.921","0.005","17.665","0.006","100.095","0.006","107.797","0.008","98.626","0.007","3495","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H63 F24 N10 O7 P4 S5 -","- C49 H63 F24 N10 O7 P4 S5 -","- C98 H126 F48 N20 O14 P8 S10 -","2","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.2665","0.1189","","","0.2539","0.3167","","","","","","1.11","","","","has coordinates,has disorder","242003","2020-10-21","18:00:00",""
"4131912","27.323","0.003","31.177","0.004","11.9178","0.0015","90","","90","","90","","10152","2","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C43 H33 F18 N10 O4 P3 S2 -","- C39 H33 F18 N10 O2 P3 -","- C312 H264 F144 N80 O16 P24 -","8","1","","Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L.","Supramolecular Properties of a Monocarboxylic Acid-Functionalized ""Texas-Sized"" Molecular Box.","Journal of the American Chemical Society","2018","140","22","6823","6831","10.1021/jacs.7b12957","","","0.71073","MoKα","","0.1593","0.091","","","0.2027","0.2361","","","","","","1.045","","","","has coordinates,has disorder","242004","2020-10-21","18:00:00",""
"4131913","19.866","0.003","7.7093","0.0011","22.122","0.003","90","","90","","90","","3388","0.8","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H54 Ca2 I2 O6 -","- C26 H54 Ca2 I2 O6 -","- C104 H216 Ca8 I8 O24 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0802","0.0689","","","0.1414","0.1461","","","","","","1.085","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131914","12.223","0.009","17.635","0.014","18.194","0.015","90","","93.383","0.016","90","","3915","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.92 H64.75 Ca3 I1.08 O5 -","- C29.917 H64.751 Ca3 I1.083 O5 -","- C119.668 H259.004 Ca12 I4.332 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.056","0.0362","","","0.0844","0.0945","","","","","","1.05","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131915","11.864","0.009","12.059","0.009","20.598","0.017","96.07","0.02","95.89","0.02","99.03","0.015","2873","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H88 B2 Ca N12 -","- C55 H88 B2 Ca N12 -","- C110 H176 B4 Ca2 N24 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0887","0.0489","","","0.0988","0.1148","","","","","","1.016","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131916","11.6278","0.0011","15.9075","0.0015","19.5703","0.0018","79.691","0.002","80.461","0.002","80.899","0.002","3481.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H110 B2 Ca2 N12 O3 -","- C62 H110 B2 Ca2 N12 O3 -","- C124 H220 B4 Ca4 N24 O6 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0572","0.0406","","","0.0943","0.103","","","","","","1.019","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131917","22.2039","0.0017","12.3521","0.0009","27.028","0.002","90","","101.36","0.001","90","","7267.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H53 B Ca N6 O -","- C30 H53 B Ca N6 O -","- C240 H424 B8 Ca8 N48 O8 -","8","2","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0577","0.0462","","","0.1162","0.124","","","","","","1.027","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131918","12.3787","0.0012","19.6198","0.0018","12.7078","0.0012","90","","111.5","0.001","90","","2871.6","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H108 Ca2 O6 -","- C55 H108 Ca2 O6 -","- C110 H216 Ca4 O12 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0427","0.0398","","","0.1045","0.107","","","","","","1.057","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131919","13.0501","0.0007","19.3522","0.001","22.1731","0.0011","90","","92.027","0.001","90","","5596.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H105.5 Ca2 O5 -","- C52.5 H105.5 Ca2 O5 -","- C210 H422 Ca8 O20 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.083","0.0661","","","0.1693","0.1859","","","","","","1.036","","","","has coordinates,has disorder","242005","2020-10-21","18:00:00",""
"4131920","7.388","0.006","19.802","0.012","9.63","0.005","90","","90","","90","","1408.8","1.6","100","2","100","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C8 H24 Ca Ga2 -","- C8 H24 Ca Ga2 -","- C32 H96 Ca4 Ga8 -","4","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Dimethylcalcium.","Journal of the American Chemical Society","2018","140","6","2373","2383","10.1021/jacs.7b12984","","","0.71073","MoKα","","0.0189","0.0172","","","0.0377","0.0384","","","","","","1.017","","","","has coordinates","242005","2020-10-21","18:00:00",""
"4131921","15.317","0.006","8.924","0.003","16.982","0.006","90","","111.376","0.006","90","","2161.6","1.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H19 N2 P -","- C27 H19 N2 P -","- C108 H76 N8 P4 -","4","1","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0657","","","","0.1343","","","","","","1.032","","","","has coordinates","242006","2020-10-21","18:00:00",""
"4131922","15.138","0.004","9.219","0.003","28.143","0.008","90","","100.742","0.005","90","","3859","2","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H13 N2 P -","- C19 H13 N2 P -","- C190 H130 N20 P10 -","10","2.5","","Hashimoto, Naoki; Umano, Rika; Ochi, Yusuke; Shimahara, Kiyoka; Nakamura, Jun; Mori, Shigeki; Ohta, Hidetoshi; Watanabe, Yutaka; Hayashi, Minoru","Synthesis and Photophysical Properties of λ<sup>5</sup>-Phosphinines as a Tunable Fluorophore.","Journal of the American Chemical Society","2018","140","6","2046","2049","10.1021/jacs.7b13018","","","0.71075","MoKα","","","0.0762","","","","0.1658","","","","","","1.025","","","","has coordinates","242007","2020-10-21","18:00:00",""
"4131923","6.4957","0.0003","9.6763","0.0005","14.8709","0.0007","97.388","0.002","95.474","0.002","100.439","0.002","904.82","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C42 H42 N2 O10 -","2","1","","Wang, Gang-Wei; Bower, John F.","Modular Access to Azepines by Directed Carbonylative C-C Bond Activation of Aminocyclopropanes.","Journal of the American Chemical Society","2018","140","8","2743","2747","10.1021/jacs.7b13087","","","0.71073","MoKα","","0.0484","0.0405","","","0.1022","0.1083","","","","","","1.049","","","","has coordinates","242008","2020-10-21","18:00:00",""
"4131924","18.052","0.005","23.231","0.005","26.344","0.005","70.236","0.005","77.675","0.005","86.573","0.005","10156","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ni18 Cl6 (C40H44S4O4)6 (C6H4NO2S)6]","","","- C276 H288 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","- C276 H270 Cl6 N6 Ni18 O36 S30 -","1","0.5","","Wang, Shentang; Gao, Xiaohui; Hang, Xinxin; Zhu, Xiaofei; Han, Haitao; Li, Xiaokun; Liao, Wuping; Chen, Wei","Calixarene-Based {Ni<sub>18</sub>} Coordination Wheel: Highly Efficient Electrocatalyst for the Glucose Oxidation and Template for the Homogenous Cluster Fabrication.","Journal of the American Chemical Society","2018","140","20","6271","6277","10.1021/jacs.7b13193","","","0.71073","MoKα","","0.1187","0.0801","","","0.2208","0.241","","","","","","0.906","","","","has coordinates,has disorder","242009","2020-10-21","18:00:00",""
"4131925","15.0672","0.0005","9.0113","0.0003","17.5426","0.0006","90","","97.696","0.003","90","","2360.39","0.14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","diaqua bis(ditetrazolyl)propane copper(II) chlorate","diaqua bis(ditetrazolyl)propane copper(II) chlorate","","- C10 H20 Cl2 Cu N16 O8 -","- C10 H20 Cl2 Cu N16 O8 -","- C40 H80 Cl8 Cu4 N64 O32 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.08","0.0834","","","","","","1.08","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131926","13.1028","0.001","10.7288","0.0008","16.2265","0.0014","90","","95.036","0.007","90","","2272.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","tetrakis(1-methyl-5-aminotetrazolyl) chlorato copper(II) chlorate","","- C8 H20 Cl2 Cu N20 O6 -","- C8 H20 Cl2 Cu N20 O6 -","- C32 H80 Cl8 Cu4 N80 O24 -","4","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1099","0.0853","","","0.2388","0.2549","","","","","","1.13","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131927","7.6403","0.0003","10.0072","0.0004","13.623","0.0005","90","","90.4","0.005","90","","1041.56","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","dichlorato tetrakis(1-methyltetrazolyl)copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.028","0.0244","","","0.0609","0.0628","","","","","","1.103","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131928","14.6638","0.0007","8.9883","0.0005","16.3538","0.0008","90","","90.324","0.005","90","","2155.44","0.19","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","dichlorato bis(ditetrazolylpropane copper(II)","dichlorato bis(ditetrazolylpropane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C40 H64 Cl8 Cu4 N64 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0667","0.0437","","","0.092","0.1043","","","","","","1.056","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131929","6.7837","0.0008","8.182","0.001","10.1959","0.0012","108.068","0.011","101.188","0.01","90.137","0.01","526.6","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","dichlorato bis(1,2-ditetrazolyl)propane copper(II)","","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","- C10 H16 Cl2 Cu N16 O6 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0831","0.0439","","","0.0577","0.0658","","","","","","0.889","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131930","13.5622","0.0016","15.5713","0.0018","7.7338","0.0015","90","","91.559","0.012","90","","1632.6","0.4","143","2","143","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","tris(4-amino-1,2,4-triazolyl) copper(II) chlorate","","- C6 H12 Cl2 Cu N12 O6 -","- C6 H12 Cl2 Cu N12 O6 -","- C24 H48 Cl8 Cu4 N48 O24 -","4","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.1224","0.0716","","","0.1573","0.1861","","","","","","1.034","","","","has coordinates,has disorder","242010","2020-10-21","18:00:00",""
"4131931","10.7286","0.0006","6.8178","0.0004","15.5263","0.0012","90","","100.469","0.006","90","","1116.77","0.13","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(ditetrazolylbutane) copper(II) chlorate","bis(ditetrazolylbutane) copper(II) chlorate","","- C12 H20 Cl2 Cu N16 O6 -","- C12 H20 Cl2 Cu N16 O6 -","- C24 H40 Cl4 Cu2 N32 O12 -","2","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.058","0.0433","","","0.1069","0.1155","","","","","","1.092","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131932","6.5617","0.0003","7.526","0.0004","9.0097","0.0004","111.762","0.002","98.711","0.002","104.197","0.002","385.81","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","diaqua dichlorato bis(2-methyl-5-aminotetrazolyl) copper(II)","","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","- C4 H14 Cl2 Cu N10 O8 -","1","0.5","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0335","0.0295","","","0.0619","0.0635","","","","","","1.117","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131933","7.2932","0.0002","10.9456","0.0003","12.417","0.0003","93.041","0.001","96.845","0.001","91.156","0.001","982.43","0.04","100","","100","2","","","","","","","","6","P -1","-P 1","2","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","dichlorato tetrakis(1-amino-1,2,3-triazolyl) copper(II)","","- C8 H16 Cl2 Cu N16 O6 -","- C8 H16 Cl2 Cu N16 O6 -","- C16 H32 Cl4 Cu2 N32 O12 -","2","1","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","","0.71073","MoKα","","0.0317","0.0243","","","0.0727","0.094","","","","","","1.263","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131934","10.9642","0.0002","10.9642","0.0002","14.3772","0.0004","90","","90","","120","","1496.78","0.06","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(ditetrazolylpropyl) copper(II) chlorate","tris(ditetrazolylpropyl) copper(II) chlorate'","","- C15 H24 Cl2 Cu N24 O6 -","- C15 H24 Cl2 Cu N24 O6 -","- C30 H48 Cl4 Cu2 N48 O12 -","2","0.166667","","Wurzenberger, Maximilian H. H.; Szimhardt, Norbert; Stierstorfer, Jörg","Copper(II) Chlorate Complexes: The Renaissance of a Forgotten and Misjudged Energetic Anion.","Journal of the American Chemical Society","2018","140","9","3206","3209","10.1021/jacs.7b13230","","x-ray","0.71073","MoKα","","0.0375","0.0289","","","0.0758","0.0818","","","","","","1.061","","","","has coordinates","242010","2020-10-21","18:00:00",""
"4131935","18.626","0.003","18.626","0.003","55.983","0.011","90","","90","","120","","16820","5","100","","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Ce N9 -","- C57 H72 Ce N9 -","- C684 H864 Ce12 N108 -","12","0.333333","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0479","0.0375","","","0.0978","0.1051","","","","","","1.12","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131936","10.0315","0.0004","11.8803","0.0004","17.842","0.0007","82.423","0.002","85.788","0.002","89.638","0.002","2102.09","0.14","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 Ce N9 -","- C36 H72 Ce N9 -","- C72 H144 Ce2 N18 -","2","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0259","0.0211","","","0.0466","0.0482","","","","","","1.028","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131937","13.2861","0.0006","19.9413","0.001","18.6655","0.0009","90","","109.946","0.002","90","","4648.6","0.4","100","2","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H84 Ce N9 -","- C39 H84 Ce N9 -","- C156 H336 Ce4 N36 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0268","0.0198","","","0.0426","0.045","","","","","","1.023","","","","has coordinates","242011","2020-10-21","18:00:00",""
"4131938","24.249","0.002","13.9439","0.0012","18.4167","0.0016","90","","115.072","0.004","90","","5640.4","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H96 Ce N9 -","- C48 H96 Ce N9 -","- C192 H384 Ce4 N36 -","4","0.5","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0886","0.0846","","","0.2279","0.2309","","","","","","1.126","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131939","12.8493","0.0007","10.7028","0.0006","39.41","0.002","90","","93.013","0.002","90","","5412.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H96 Ce N9 Si3 -","- C42 H96 Ce N9 Si3 -","- C168 H384 Ce4 N36 Si12 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.1165","0.1014","","","0.193","0.197","","","","","","1.497","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131940","20.8203","0.0017","15.8035","0.0012","20.8531","0.0018","90","","90.547","0.003","90","","6861.1","1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H116 Ce I2 Li N6 O2 -","- C67 H116 Ce I2 Li N6 O2 -","- C268 H464 Ce4 I8 Li4 N24 O8 -","4","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0745","0.0624","","","0.1321","0.143","","","","","","1.17","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131941","44.203","0.005","44.203","0.005","26.08","0.003","90","","90","","120","","44131","9","100","","100","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C81 H132 Ce N9 -","- C81 H132 Ce N9 -","- C1458 H2376 Ce18 N162 -","18","1","","Qiao, Yusen; Sergentu, Dumitru-Claudiu; Yin, Haolin; Zabula, Alexander V.; Cheisson, Thibault; McSkimming, Alex; Manor, Brian C.; Carroll, Patrick J.; Anna, Jessica M.; Autschbach, Jochen; Schelter, Eric J.","Understanding and Controlling the Emission Brightness and Color of Molecular Cerium Luminophores.","Journal of the American Chemical Society","2018","140","13","4588","4595","10.1021/jacs.7b13339","","","0.71073","MoKα","","0.0533","0.04","","","0.0743","0.0795","","","","","","1.042","","","","has coordinates,has disorder","242011","2020-10-21","18:00:00",""
"4131942","8.998","0.0002","11.5663","0.0002","17.6674","0.0005","90","","90","","90","","1838.71","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl F3 N2 O -","- C20 H22 Cl F3 N2 O -","- C80 H88 Cl4 F12 N8 O4 -","4","1","","Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song","Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.","Journal of the American Chemical Society","2018","140","7","2438","2441","10.1021/jacs.7b13387","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1151","0.1209","","","","","","1.035","","","","has coordinates","242012","2020-10-21","18:00:00",""
"4131943","9.64769","0.00005","11.43518","0.00007","15.03401","0.00009","90","","90","","90","","1658.6","0.017","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0294","0.0258","","","0.0691","0.0705","","","","","","1.044","","","","has coordinates","242013","2020-10-21","18:00:00",""
"4131944","8.161","0.006","10.276","0.007","13.734","0.008","102.45","0.02","97.861","0.019","112.29","0.02","1009.7","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O7 -","- C23 H26 N2 O7 -","- C46 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.1","0.0669","","","0.1652","0.1872","","","","","","1.074","","","","has coordinates","242014","2020-10-21","18:00:00",""
"4131945","6.8694","0.0003","10.0331","0.0004","15.3665","0.0007","81.1902","0.001","88.6152","0.001","89.8076","0.001","1046.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C48 H52 N4 O14 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0485","0.0417","","","0.1146","0.1202","","","","","","1.046","","","","has coordinates","242015","2020-10-21","18:00:00",""
"4131946","7.2777","0.0003","8.2938","0.0004","9.0157","0.0003","77.686","0.004","83.158","0.003","69.733","0.004","498.14","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","- C20 H16 Br3 N4 Ru -","1","0.5","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0734","0.0603","","","0.1769","0.2071","","","","","","1.019","","","","has coordinates","242016","2020-10-21","18:00:00",""
"4131947","8.7314","0.0003","18.821","0.0007","11.6512","0.0004","90","","102.367","0.0011","90","","1870.26","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O5 -","- C22 H24 N2 O5 -","- C88 H96 N8 O20 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0571","0.0437","","","0.1072","0.1156","","","","","","1.041","","","","has coordinates,has disorder","242017","2020-10-21","18:00:00",""
"4131948","45.773","0.0005","7.9396","0.0001","13.4558","0.0001","90","","97.262","0.001","90","","4850.87","0.09","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C49.5 H55 N4 O12.5 S2 -","- C49.5 H55 N4 O12.5 S2 -","- C198 H220 N16 O50 S8 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0505","0.0406","","","0.1045","0.1104","","","","","","1.007","","","","has coordinates,has disorder","242018","2020-10-21","18:00:00",""
"4131949","12.0865","0.0005","13.2673","0.0005","13.6282","0.0005","90","","115.234","0.0008","90","","1976.81","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C92 H104 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0457","0.0404","","","0.1133","0.1178","","","","","","1.051","","","","has coordinates","242019","2020-10-21","18:00:00",""
"4131950","10.9813","0.0003","8.0063","0.0002","24.4059","0.0007","90","","98.934","0.003","90","","2119.72","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C96 H120 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.046","0.0366","","","0.1007","0.1056","","","","","","1.037","","","","has coordinates","242020","2020-10-21","18:00:00",""
"4131951","7.2219","0.0015","9.354","0.002","13.497","0.003","84.894","0.004","85.225","0.004","68.613","0.004","844.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C42 H40 N4 O10 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0751","0.059","","","0.155","0.1679","","","","","","1.029","","","","has coordinates","242021","2020-10-21","18:00:00",""
"4131952","7.9625","0.0013","10.842","0.002","12.972","0.003","74.54","0.006","74.559","0.006","87.974","0.006","1039.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0628","0.0444","","","0.1003","0.1113","","","","","","1.023","","","","has coordinates","242022","2020-10-21","18:00:00",""
"4131953","13.6713","0.0013","37.374","0.004","8.2094","0.0007","90","","90","","90","","4194.6","0.7","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C24 H26 N2 O7 -","- C24 H26 N2 O7 -","- C192 H208 N16 O56 -","8","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0461","0.0396","","","0.0954","0.1002","","","","","","1.077","","","","has coordinates","242023","2020-10-21","18:00:00",""
"4131954","7.84898","0.00008","14.47011","0.00018","15.52093","0.00016","90","","90","","90","","1762.8","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20.18 N2 O5.09 -","- C21 H20.182 N2 O5.091 -","- C84 H80.728 N8 O20.364 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.033","0.0296","","","0.0798","0.0815","","","","","","1.071","","","","has coordinates,has disorder","242024","2020-10-21","18:00:00",""
"4131955","7.3663","0.0005","11.4058","0.0008","12.1822","0.0008","85.2854","0.0018","81.2598","0.0019","85.079","0.002","1005.43","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O4 -","- C22 H24 Cl2 N2 O4 -","- C44 H48 Cl4 N4 O8 -","2","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.71073","MoKα","","0.0786","0.0704","","","0.2224","0.234","","","","","","1.031","","","","has coordinates,has disorder","242025","2020-10-21","18:00:00",""
"4131956","11.221","0.0008","7.2383","0.0005","29.137","0.003","90","","96.855","0.007","90","","2349.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Cl3 N2 O6 -","- C23 H27 Cl3 N2 O6 -","- C92 H108 Cl12 N8 O24 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0984","0.0623","","","0.1451","0.1645","","","","","","1.066","","","","has coordinates","242026","2020-10-21","18:00:00",""
"4131957","47.826","0.002","21.1891","0.0009","27.0097","0.0012","90","","94.628","0.003","90","","27282","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C170 H142 Cl4 N8 O18.66667 -","- C170 H142 Cl4 N8 O18.6667 -","- C1020 H852 Cl24 N48 O112 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1762","0.1416","","","0.3379","0.3812","","","","","","1.131","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131958","6.5343","0.0003","17.9861","0.0007","32.523","0.0014","90","","90","","90","","3822.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 O4 -","- C52 H40 O4 -","- C208 H160 O16 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0396","0.0351","","","0.0967","0.1031","","","","","","1.059","","","","has coordinates","242028","2020-10-21","18:00:00",""
"4131959","5.146","","18.162","","20.254","","90","","90","","90","","1892.97","","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0314","0.0282","","","0.065","0.0668","","","","","","1.072","","","","has coordinates","242029","2020-10-21","18:00:00",""
"4131960","47.641","0.003","21.1704","0.001","27.0403","0.0012","90","","94.904","0.003","90","","27172","2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C171.33333 H144.66667 Cl6.66667 N8 O24 -","- C171.333 H144.667 Cl6.66667 N8 O24 -","- C1028 H868 Cl40 N48 O144 -","6","1.5","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.1669","0.1513","","","0.3637","0.3891","","","","","","1.185","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4131961","7.4332","0.001","8.2644","0.0011","22.734","0.003","90","","96.542","0.015","90","","1387.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O6 S -","- C12 H13 N3 O6 S -","- C48 H52 N12 O24 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0611","0.0459","","","0.1163","0.1242","","","","","","1.058","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131962","10.817","0.005","11.154","0.005","13.163","0.005","92.607","0.005","112.415","0.005","92.17","0.005","1464","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O11 S2 -","- C27 H30 N4 O11 S2 -","- C54 H60 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.09","0.0762","","","0.2141","0.2226","","","","","","1.106","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131963","7.0021","0.0003","9.7512","0.0005","13.0986","0.0008","70.369","0.005","88.781","0.004","82.494","0.004","834.91","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N5 O5 S -","- C16 H15 N5 O5 S -","- C32 H30 N10 O10 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0539","0.0423","","","0.0979","0.1052","","","","","","1.072","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131964","7.3537","0.0003","14.8454","0.0011","12.3215","0.0005","90","","94.038","0.004","90","","1341.78","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O5 S -","- C12 H13 N3 O5 S -","- C48 H52 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0622","0.0487","","","0.1278","0.1347","","","","","","1.105","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131965","10.4132","0.0003","13.5716","0.0003","29.547","0.0008","90","","90","","90","","4175.69","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N5 O8 S2 -","- C18 H21 N5 O8 S2 -","- C144 H168 N40 O64 S16 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0412","0.0346","","","0.084","0.0879","","","","","","1.047","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131966","7.017","0.005","17.287","0.005","12.578","0.005","90","0.005","94.34","0.005","90","0.005","1521.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 O8 S -","- C12 H14 N4 O8 S -","- C48 H56 N16 O32 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0634","0.0611","","","0.1689","0.1728","","","","","","1.04","","","","has coordinates","242031","2020-10-21","18:00:00",""
"4131967","11.6451","0.0007","8.0014","0.0004","22.6883","0.0012","90","","91.37","0.005","90","","2113.4","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H23 N5 O6 S2 -","- C18 H23 N5 O6 S2 -","- C72 H92 N20 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0705","0.0594","","","0.167","0.1831","","","","","","1.048","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131968","9.9888","0.0015","10.2796","0.0012","12.3288","0.0019","68.939","0.013","79.698","0.013","69.115","0.012","1101.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N5 O8 S2 -","- C16 H26 N5 O8 S2 -","- C32 H52 N10 O16 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0891","0.0722","","","0.1994","0.216","","","","","","1.046","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131969","7.7154","0.0005","11.5739","0.001","12.5866","0.0007","68.866","0.007","83.563","0.005","82.184","0.006","1036.19","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N7 O10 S2 -","- C16 H17 N7 O10 S2 -","- C32 H34 N14 O20 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0513","0.0464","","","0.1213","0.126","","","","","","1.035","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131970","26.738","0.005","7.081","0.0011","30.146","0.007","90","","90.53","0.02","90","","5707.4","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H64 N4 O13 S4 -","- C58 H64 N4 O13 S4 -","- C232 H256 N16 O52 S16 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.144","0.0799","","","0.1975","0.2479","","","","","","0.941","","","","has coordinates,has disorder","242032","2020-10-21","18:00:00",""
"4131971","6.0303","0.0006","9.721","0.0008","12.4638","0.0012","98.012","0.007","94.549","0.008","97.848","0.007","713.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","- C26 H26 N4 O12 S2 -","1","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0604","0.0528","","","0.1353","0.1425","","","","","","1.072","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131972","14.5751","0.0006","7.3814","0.0003","18.0511","0.0008","90","","92.517","0.004","90","","1940.15","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 S -","- C20 H23 N3 O5 S -","- C80 H92 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0538","0.0436","","","0.107","0.113","","","","","","1.042","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131973","5.7205","0.0006","20.45","0.002","11.7153","0.0011","90","","102.871","0.01","90","","1336.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C52 H56 N4 O16 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0783","0.0668","","","0.1761","0.1879","","","","","","1.079","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131974","12.9855","0.0009","7.3929","0.0005","13.8095","0.0008","90","","100.742","0.006","90","","1302.49","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O12 S2 -","- C24 H22 N4 O12 S2 -","- C48 H44 N8 O24 S4 -","2","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0497","0.0437","","","0.1127","0.1166","","","","","","1.058","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131975","7.7042","0.0005","12.1758","0.0009","13.3268","0.001","84.238","0.006","89.648","0.005","83.067","0.006","1234.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O9 S2 -","- C24 H26 N2 O9 S2 -","- C48 H52 N4 O18 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0553","0.0463","","","0.1106","0.1158","","","","","","1.065","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131976","12.9248","0.0003","7.3758","0.0002","26.709","0.0005","90","","91.338","0.002","90","","2545.49","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O11 S2 -","- C24 H26 N2 O11 S2 -","- C96 H104 N8 O44 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0554","0.0439","","","0.1067","0.1133","","","","","","1.027","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131977","21.8681","0.0014","5.6881","0.0003","23.3203","0.0015","90","","101.161","0.006","90","","2845.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0942","0.0783","","","0.2127","0.2354","","","","","","1.09","","","","has coordinates","242032","2020-10-21","18:00:00",""
"4131978","8.124","0.0002","5.7011","0.0002","23.0661","0.0007","90","","93.074","0.003","90","","1066.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N O4 S -","- C10 H12 N O4 S -","- C40 H48 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0517","0.0442","","","0.1139","0.1185","","","","","","1.103","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131979","8.8901","0.0002","7.0512","0.0002","16.8721","0.0005","90","","95.229","0.003","90","","1053.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N O3 S -","- C10 H12 N O3 S -","- C40 H48 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0535","0.0447","","","0.1313","0.1381","","","","","","1.063","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131980","17.884","0.0012","6.712","0.0004","19.8456","0.0014","90","","112.723","0.008","90","","2197.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H11 N2 O5 S -","- C10 H11 N2 O5 S -","- C80 H88 N16 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0357","0.0335","","","0.09","0.0917","","","","","","1.083","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131981","27.044","0.009","6.9584","0.0014","15.834","0.006","90","","118.16","0.03","90","","2627","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O8 S2 -","- C28 H32 N2 O8 S2 -","- C112 H128 N8 O32 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0575","0.0466","","","0.1342","0.1426","","","","","","1.078","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131982","15.3959","0.0013","7.2509","0.0005","23.9608","0.0019","90","","92.573","0.006","90","","2672.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N2 O6 S2 -","- C28 H32 N2 O6 S2 -","- C112 H128 N8 O24 S8 -","4","0.5","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0627","0.0509","","","0.1343","0.1429","","","","","","1.105","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131983","19.9706","0.001","7.039","0.0003","21.9707","0.0012","90","","113.547","0.006","90","","2831.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 O6 S2 -","- C30 H36 N2 O6 S2 -","- C120 H144 N8 O24 S8 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0682","0.0521","","","0.1312","0.1456","","","","","","1.034","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131984","10.6823","0.0015","11.4435","0.0014","13.2985","0.0017","87.212","0.01","70.525","0.012","81.733","0.011","1516.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O11 S2 -","- C28 H32 N4 O11 S2 -","- C56 H64 N8 O22 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.1224","0.0888","","","0.238","0.2792","","","","","","1.03","","","","has coordinates","242033","2020-10-21","18:00:00",""
"4131985","5.9637","0.0002","15.7025","0.0004","11.9733","0.0003","90","","95.124","0.002","90","","1116.76","0.05","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Cl N O3 S -","- C10 H11 Cl N O3 S -","- C40 H44 Cl4 N4 O12 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0429","0.0383","","","0.1012","0.1039","","","","","","1.073","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131986","8.1551","0.0003","5.7169","0.0003","22.5197","0.0009","90","","94.011","0.003","90","","1047.34","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl N O4 S -","- C9 H9 Cl N O4 S -","- C36 H36 Cl4 N4 O16 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0384","0.0335","","","0.0844","0.087","","","","","","1.082","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131987","10.1766","0.0006","10.7552","0.0007","12.5205","0.0008","95.045","0.005","109.245","0.005","102.571","0.005","1243.69","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl3 N3 O6 S2 -","- C21 H21 Cl3 N3 O6 S2 -","- C42 H42 Cl6 N6 O12 S4 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0491","0.0394","","","0.0949","0.1023","","","","","","1.057","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131988","22.1231","0.0007","7.2432","0.0003","19.3126","0.0006","90","","100.197","0.003","90","","3045.81","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Cl2 N3 O5 S -","- C12 H11 Cl2 N3 O5 S -","- C96 H88 Cl16 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0468","0.0407","","","0.1087","0.1124","","","","","","1.063","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131989","7.2666","0.0009","14.9473","0.0014","15.224","0.002","90","","99.744","0.014","90","","1629.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N3 O5 S -","- C13 H14 Cl N3 O5 S -","- C52 H56 Cl4 N12 O20 S4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0791","0.0602","","","0.1549","0.1754","","","","","","1.109","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131990","7.4388","0.0005","8.519","0.0004","12.2969","0.0009","90.408","0.005","107.029","0.006","94.769","0.005","742.12","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N3 O6 S -","- C12 H12 Cl N3 O6 S -","- C24 H24 Cl2 N6 O12 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0444","0.0385","","","0.1071","0.1122","","","","","","1.097","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131991","21.7735","0.0006","14.1989","0.0004","9.4343","0.0003","90","","90","","90","","2916.71","0.15","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H12 Cl N3 O5 S -","- C12 H12 Cl N3 O5 S -","- C96 H96 Cl8 N24 O40 S8 -","8","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.047","0.0418","","","0.1233","0.1271","","","","","","1.074","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131992","7.3874","0.0004","9.6593","0.0005","11.6166","0.0007","74.226","0.005","82.828","0.004","72.285","0.004","759.08","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl N4 O7 S -","- C12 H11 Cl N4 O7 S -","- C24 H22 Cl2 N8 O14 S2 -","2","1","","Karak, Suvendu; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Porosity Prediction through Hydrogen Bonding in Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","15","5138","5145","10.1021/jacs.7b13558","","","0.71073","MoKα","","0.0896","0.072","","","0.2019","0.227","","","","","","0.981","","","","has coordinates","242034","2020-10-21","18:00:00",""
"4131993","13.052","0.003","15.755","0.003","24.071","0.004","90.625","0.003","91.925","0.003","91.633","0.003","4944.7","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(OEP)Fe(m-OH)B(C6F5)3","","","- C54 H45 B F15 Fe N4 O -","- C54 H45 B F15 Fe N4 O -","- C216 H180 B4 F60 Fe4 N16 O4 -","4","2","","Abucayon, Erwin G.; Khade, Rahul L.; Powell, Douglas R.; Zhang, Yong; Richter-Addo, George B","Lewis Acid Activation of the Ferrous Heme-NO Fragment toward the N-N Coupling Reaction with NO To Generate N<sub>2</sub>O.","Journal of the American Chemical Society","2018","140","12","4204","4207","10.1021/jacs.7b13681","","","0.71073","MoKα","","0.059","0.0406","","","0.0982","0.1088","","","","","","0.998","","","","has coordinates,has disorder","242035","2020-10-21","18:00:00",""
"4131994","8.722","0.003","14.03","0.005","8.981","0.003","90","","111.139","0.006","90","","1025","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C48 H28 F12 N8 -","4","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.71075","MoKα","","0.0664","0.0517","","","0.1467","0.1605","","","","","","1.048","","","","has coordinates","242036","2020-10-21","18:00:00",""
"4131995","14.047","0.002","14.609","0.003","10.026","0.001","90","","90","","90","","2057.5","0.6","300","1","300","1","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C12 H7 F3 N2 -","- C12 H7 F3 N2 -","- C96 H56 F24 N16 -","8","1","","Kobayashi, Kensuke; Horiuchi, Sachio; Ishibashi, Shoji; Murakami, Youichi; Kumai, Reiji","Field-Induced Antipolar-Polar Structural Transformation and Giant Electrostriction in Organic Crystal.","Journal of the American Chemical Society","2018","140","11","3842","3845","10.1021/jacs.7b13688","","","0.9991","synchrotron","","0.0499","0.037","","","0.1095","0.118","","","","","","0.978","","","","has coordinates","242037","2020-10-21","18:00:00",""
"4131996","9.431","0.004","9.479","0.004","10.55","0.005","77.104","0.011","86.491","0.011","75.335","0.011","889.4","0.7","225","2","225","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N S2 -","- C10 H6 N S2 -","- C40 H24 N4 S8 -","4","2","","Bates, Demetris; Robertson, Craig M.; Leitch, Alicea A.; Dube, Paul A.; Oakley, Richard T.","Magnetic Bistability in Naphtho-1,3,2-dithiazolyl: Solid State Interconversion of a Thiazyl π-Radical and Its N-N σ-Bonded Dimer.","Journal of the American Chemical Society","2018","140","11","3846","3849","10.1021/jacs.7b13699","","","0.71073","MoKα","","0.1367","0.0842","","","0.2197","0.2509","","","","","","1.078","","","","has coordinates,has disorder","242038","2020-10-21","18:00:00",""
"4131997","16.3598","0.0015","11.2335","0.0014","21.3117","0.0026","90","","91.676","0.009","90","","3914.9","0.8","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cu F6 N10 O Si -","- C10 H12 Cu F6 N10 O Si -","- C80 H96 Cu8 F48 N80 O8 Si8 -","8","1","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","powder diffraction","neutron","2.0775","","","","","","","","","0.09963","","1.1","","","","","","","has coordinates","242039","2020-10-21","18:00:00",""
"4131998","16.9982","0.0008","11.0287","0.0005","21.318","0.0011","90","","90","","90","","3996.4","0.3","293","2","293.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C20 H24 Cu2 F12 N20 O2 Si2 -","- C80 H96 Cu8 F48 N80 O8 Si8 -","4","0.25","","Bao, Zongbi; Xie, Danyan; Chang, Ganggang; Wu, Hui; Li, Liangying; Zhou, Wei; Wang, Hailong; Zhang, Zhiguo; Xing, Huabin; Yang, Qiwei; Zaworotko, Michael J.; Ren, Qilong; Chen, Banglin","Fine Tuning and Specific Binding Sites with a Porous Hydrogen-Bonded Metal-Complex Framework for Gas Selective Separations.","Journal of the American Chemical Society","2018","140","13","4596","4603","10.1021/jacs.7b13706","","","0.71073","MoKα","","0.0631","0.0496","","","0.1324","0.14","","","","","","1.054","","","","has coordinates","242040","2020-10-21","18:00:00",""
"4131999","13.24067","0.00007","7.76255","0.00004","24.8383","0.00013","90","","91.3423","0.0005","90","","2552.21","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H38 O2 -","- C32 H38 O2 -","- C128 H152 O8 -","4","2","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0318","0.0315","","","0.0822","0.0824","","","","","","1.027","","","","has coordinates","242041","2020-10-21","18:00:00",""
"4132000","5.8408","0.0001","16.7324","0.0004","7.8935","0.0002","90","","92.485","0.002","90","","770.71","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Hao, Wei; Harenberg, Johannes H.; Wu, Xiangyu; MacMillan, Samantha N.; Lin, Song","Diastereo- and Enantioselective Formal [3 + 2] Cycloaddition of Cyclopropyl Ketones and Alkenes via Ti-Catalyzed Radical Redox Relay.","Journal of the American Chemical Society","2018","140","10","3514","3517","10.1021/jacs.7b13710","","x-ray","1.54184","CuKα","","0.0266","0.0265","","","0.0706","0.0715","","","","","","1.069","","","","has coordinates","242043","2020-10-21","18:00:00",""
"4132001","12.843","","20.558","","23.39","","72.79","","77.72","","72.76","","5580.91","","100","","100","","","","","","","","","6","P -1","-P 1","2","","N-triphenylsilylimidobis(N-2,6-diisopropylphenylbenzamido)pyridine titanium(IV)","","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","- C244 H256 N16 O8 Si4 Ti4 -","1","0.5","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","","0.71073","MoKα","","0.0556","0.0396","","","0.0965","0.1046","","","","","","1.028","","","","has coordinates,has disorder","242044","2020-10-21","18:00:00",""
"4132002","12.8621","0.001","21.1899","0.0017","18.839","0.0015","90","","104.842","0.002","90","","4963.2","0.7","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-2,6-diisopropylphenylbenzamidate)(N-tertbutyldimethylsilylimido)pyridine titanium (IV)","","- C52 H71 N4 O2 Si Ti -","- C52 H71 N4 O2 Si Ti -","- C208 H284 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.0605","0.0427","","","0.1056","0.1155","","","","","","1.012","","","","has coordinates","242045","2020-10-21","18:00:00",""
"4132003","12.4428","0.0012","27.623","0.003","13.2015","0.0012","90","","92.073","0.002","90","","4534.5","0.8","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H66 N4 O2 Si Ti -","- C46 H66 N4 O2 Si Ti -","- C184 H264 N16 O8 Si4 Ti4 -","4","1","","Lui, Erica K. J.; Brandt, Jason W.; Schafer, Laurel L.","Regio- and Stereoselective Hydroamination of Alkynes Using an Ammonia Surrogate: Synthesis of N-Silylenamines as Reactive Synthons.","Journal of the American Chemical Society","2018","140","15","4973","4976","10.1021/jacs.7b13783","","x-ray","0.71073","MoKα","","0.047","0.0376","","","0.0886","0.0939","","","","","","1.049","","","","has coordinates","242046","2020-10-21","18:00:00",""
"4132004","4.7391","0.0005","12.8346","0.0014","14.2014","0.0016","90","","96.2262","0.0013","90","","858.7","0.16","88","2","88","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Tao, Daniel J.; Slutskyy, Yuriy; Muuronen, Mikko; Le, Alexander; Kohler, Philipp; Overman, Larry E.","Total Synthesis of (-)-Chromodorolide B By a Computationally-Guided Radical Addition/Cyclization/Fragmentation Cascade.","Journal of the American Chemical Society","2018","140","8","3091","3102","10.1021/jacs.7b13799","","","0.71073","MoKα","","0.036","0.0336","","","0.0843","0.0863","","","","","","1.038","","","","has coordinates","242047","2020-10-21","18:00:00",""
"4132005","12.7112","0.0005","14.8397","0.0006","15.9385","0.0006","90","","98.6077","0.0013","90","","2972.6","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","XC4","","","- C32 H25 Cl2 F N O3 P Pd S -","- C32 H25 Cl2 F N O3 P Pd S -","- C128 H100 Cl8 F4 N4 O12 P4 Pd4 S4 -","4","1","","Chen, Xiao-Yang; Sorensen, Erik J.","Pd-Catalyzed, ortho C-H Methylation and Fluorination of Benzaldehydes Using Orthanilic Acids as Transient Directing Groups.","Journal of the American Chemical Society","2018","140","8","2789","2792","10.1021/jacs.8b00048","","","0.71073","MoKα","","0.0397","0.0314","","","0.0736","0.0781","","","","","","1.089","","","","has coordinates,has disorder","242048","2020-10-21","18:00:00",""
"4132006","20.3631","0.0004","28.602","0.0005","12.6388","0.0002","90","","94.0855","0.0017","90","","7342.5","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0905","0.0785","","","0.2237","0.239","","","","","","1.017","","","","has coordinates,has disorder","242049","2020-10-21","18:00:00",""
"4132007","20.1522","0.0003","28.5668","0.0004","12.54945","0.00019","90","","94.1381","0.0014","90","","7205.68","0.18","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.0859","0.0778","","","0.2218","0.2315","","","","","","1.024","","","","has coordinates,has disorder","242050","2020-10-21","18:00:00",""
"4132008","20.4333","0.0007","28.681","0.001","12.643","0.0005","90","","94.243","0.003","90","","7389.1","0.5","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.78 H83.12 Cl4 N10 O15.78 Zn -","- C70.78 H80 Cl4 N10 O15.78 Zn -","- C283.12 H320 Cl16 N40 O63.12 Zn4 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1025","0.0731","","","0.2005","0.222","","","","","","1.027","","","","has coordinates,has disorder","242051","2020-10-21","18:00:00",""
"4132009","20.566","0.0005","28.5805","0.0008","12.7724","0.0003","90","","94.822","0.002","90","","7480.9","0.3","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H81.6 Cl4 Fe N10 O15.8 -","- C70 H80 Cl4 Fe N10 O15.8 -","- C280 H320 Cl16 Fe4 N40 O63.2 -","4","1","","Yuan, Juan; Wu, Shu-Qi; Liu, Mei-Jiao; Sato, Osamu; Kou, Hui-Zhong","Rhodamine 6G-Labeled Pyridyl Aroylhydrazone Fe(II) Complex Exhibiting Synergetic Spin Crossover and Fluorescence.","Journal of the American Chemical Society","2018","140","30","9426","9433","10.1021/jacs.8b00103","","x-ray","1.54184","CuKα","","0.1057","0.0833","","","0.2455","0.2727","","","","","","1.02","","","","has coordinates,has disorder","242052","2020-10-21","18:00:00",""
"4132010","7.071","0.002","21.45","0.008","10.258","0.003","90","","95.885","0.015","90","","1547.7","0.9","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Br F6 O2 -","- C13 H19 Br F6 O2 -","- C52 H76 Br4 F24 O8 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0495","0.044","","","0.1157","0.1185","","","","","","1.087","","","","has coordinates","242053","2020-10-21","18:00:00",""
"4132011","18.1478","0.0007","6.6216","0.0003","17.9704","0.0007","90","","114.684","0.002","90","","1962.14","0.14","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 I N2 O7 -","- C17 H21 I N2 O7 -","- C68 H84 I4 N8 O28 -","4","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0849","0.0559","","","0.1195","0.1348","","","","","","1.026","","","","has coordinates","242054","2020-10-21","18:00:00",""
"4132012","9.5076","0.0011","9.6913","0.0011","9.753","0.0011","103.771","0.005","91.642","0.005","113.628","0.004","791.84","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 F12 N O3 -","- C10 H13 F12 N O3 -","- C20 H26 F24 N2 O6 -","2","1","","Arnold, Andreas M.; Pöthig, Alexander; Drees, Markus; Gulder, Tanja","NXS, Morpholine, and HFIP: The Ideal Combination for Biomimetic Haliranium-Induced Polyene Cyclizations.","Journal of the American Chemical Society","2018","140","12","4344","4353","10.1021/jacs.8b00113","","x-ray","0.71073","MoKα","","0.0267","0.0242","","","0.0613","0.063","","","","","","1.063","","","","has coordinates","242055","2020-10-21","18:00:00",""
"4132013","11.8321","0.0005","13.4953","0.0006","19.2839","0.0009","90","","105.58","0.001","90","","2966.1","0.2","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 N6 O5 -","- C32 H34 N6 O5 -","- C128 H136 N24 O20 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0414","0.0376","","","0.0979","0.1012","","","","","","1.034","","","","has coordinates","242056","2020-10-21","18:00:00",""
"4132014","18.7948","0.0008","5.1334","0.0002","21.0251","0.0009","90","","116.317","0.001","90","","1818.28","0.13","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N6 O -","- C22 H18 N6 O -","- C88 H72 N24 O4 -","4","1","","An, Peng; Lewandowski, Tracey M.; Erbay, Tuğçe G; Liu, Peng; Lin, Qing","Sterically Shielded, Stabilized Nitrile Imine for Rapid Bioorthogonal Protein Labeling in Live Cells.","Journal of the American Chemical Society","2018","140","14","4860","4868","10.1021/jacs.8b00126","","x-ray","0.71073","MoKα","K-L~3~","0.0432","0.0376","","","0.0976","0.1023","","","","","","1.045","","","","has coordinates","242057","2020-10-21","18:00:00",""
"4132015","26.948","0.002","12.8189","0.0011","14.408","0.0012","90","","109.941","0.0014","90","","4678.8","0.7","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C2 H11 I4 N5 Pb -","- C1.91 H11 I4 N5 Pb -","- C22.92 H132 I48 N60 Pb12 -","12","1.5","","Nazarenko, Olga; Kotyrba, Martin R.; Yakunin, Sergii; Aebli, Marcel; Rainò, Gabriele; Benin, Bogdan M.; Wörle, Michael; Kovalenko, Maksym V.","Guanidinium-Formamidinium Lead Iodide: A Layered Perovskite-Related Compound with Red Luminescence at Room Temperature.","Journal of the American Chemical Society","2018","140","11","3850","3853","10.1021/jacs.8b00194","","x-ray","0.71073","MoKα","","0.0553","0.0411","","","0.0951","0.1021","","","","","","1.078","","","","has coordinates,has disorder","242058","2020-10-21","18:00:00",""
"4132016","13.4351","0.0002","13.4351","0.0002","10.3042","0.0002","90","","90","","90","","1859.93","0.05","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C44 H60 Fe N2 -","- C44 H60 Fe N2 -","- C88 H120 Fe2 N4 -","2","0.5","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0304","0.0299","","","0.0762","0.0769","","","","","","0.944","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132017","10.8062","0.0003","18.8852","0.0005","15.2388","0.0004","90","","105.087","0.001","90","","3002.7","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H48 Fe N2 -","- C33 H48 Fe N2 -","- C132 H192 Fe4 N8 -","4","1","","Schmidt, Valerie A.; Kennedy, C. Rose; Bezdek, Máté J; Chirik, Paul J.","Selective [1,4]-Hydrovinylation of 1,3-Dienes with Unactivated Olefins Enabled by Iron Diimine Catalysts.","Journal of the American Chemical Society","2018","140","9","3443","3453","10.1021/jacs.8b00245","","","1.54178","CuKα","","0.0411","0.0379","","","0.0975","0.1006","","","","","","1.047","","","","has coordinates","242059","2020-10-21","18:00:00",""
"4132018","28.7833","0.0004","7.6635","0.0001","5.2638","0.0001","90","","90","","90","","1161.09","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.028","0.0276","","","0.0694","0.0699","","","","","","1.081","","","","has coordinates","242060","2020-10-21","18:00:00",""
"4132019","15.7236","0.0003","33.2669","0.0004","27.9753","0.0005","90","","90.4715","0.0015","90","","14632.7","0.4","100","0.3","100","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C79.21 H97.21 Cl0.63 N O15 -","- C79.2108 H97.2108 Cl0.63225 N O15 -","- C633.686 H777.686 Cl5.058 N8 O120 -","8","4","","Gheewala, Chirag D.; Hirschi, Jennifer S.; Lee, Wai-Hang; Paley, Daniel W.; Vetticatt, Mathew J.; Lambert, Tristan H.","Asymmetric Induction via a Helically Chiral Anion: Enantioselective Pentacarboxycyclopentadiene Brønsted Acid-Catalyzed Inverse-Electron-Demand Diels-Alder Cycloaddition of Oxocarbenium Ions.","Journal of the American Chemical Society","2018","140","10","3523","3527","10.1021/jacs.8b00260","","x-ray","1.54184","CuKα","","0.0892","0.0717","","","0.1847","0.1989","","","","","","1.014","","","","has coordinates,has disorder","242061","2020-10-21","18:00:00",""
"4132020","14.2326","0.0002","15.8893","0.0003","21.2641","0.0004","95.728","0.0017","105.042","0.0016","109.927","0.0016","4271.09","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H60 Mn N4 O -","- C91 H60 Mn N4 O -","- C182 H120 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0607","0.0441","","","0.1153","0.1246","","","","","","1.047","","","","has coordinates,has disorder","242062","2020-10-21","18:00:00",""
"4132021","14.1236","0.0002","15.7359","0.0003","21.2624","0.0003","94.8197","0.0014","105.143","0.0015","109.402","0.0016","4226.02","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0483","0.0426","","","0.1082","0.1119","","","","","","1.027","","","","has coordinates,has disorder","242063","2020-10-21","18:00:00",""
"4132022","14.2994","0.0003","16.0576","0.0003","21.14","0.0003","95.3261","0.0013","105.447","0.0015","110.607","0.0016","4284.67","0.15","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H65 Mn N4 O -","- C97 H65 Mn N4 O -","- C194 H130 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0517","0.0442","","","0.119","0.1251","","","","","","1.016","","","","has coordinates,has disorder","242064","2020-10-21","18:00:00",""
"4132023","14.1015","0.0002","15.8829","0.0003","21.2236","0.0003","95.5849","0.0014","104.613","0.0014","109.579","0.0018","4246.68","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C96.08 H64.66 F0.85 Mn0.71 N4 O0.71 -","- C96.082 H64.6578 F0.847 Mn0.7114 N4 O0.7114 -","- C192.164 H129.316 F1.694 Mn1.4228 N8 O1.4228 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0537","0.0476","","","0.1409","0.1474","","","","","","1.051","","","","has coordinates,has disorder","242065","2020-10-21","18:00:00",""
"4132024","14.4058","0.0005","15.7896","0.0005","21.3052","0.0006","95.599","0.002","105.387","0.003","109.867","0.003","4299.1","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Cl Mn N4 -","- C91 H59 Cl Mn N4 -","- C182 H118 Cl2 Mn2 N8 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0609","0.0475","","","0.1236","0.1321","","","","","","1.045","","","","has coordinates,has disorder","242066","2020-10-21","18:00:00",""
"4132025","14.1337","0.0003","15.8214","0.0003","21.3618","0.0004","95.3238","0.0016","104.934","0.0017","109.415","0.0018","4268.74","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H59 Mn N4 O -","- C91 H59 Mn N4 O -","- C182 H118 Mn2 N8 O2 -","2","1","","Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.","A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.","Journal of the American Chemical Society","2018","140","12","4380","4390","10.1021/jacs.8b00350","","","1.54178","CuKα","","0.0578","0.0503","","","0.139","0.1456","","","","","","1.037","","","","has coordinates,has disorder","242067","2020-10-21","18:00:00",""
"4132026","7.923","0.002","9.918","0.003","10.534","0.003","84.008","0.005","79.819","0.005","79.127","0.005","797.9","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","x0918","","- C19 H14 F5 N O -","- C19 H14 F5 N O -","- C38 H28 F10 N2 O2 -","2","1","","Xiong, Peng; Xu, He-Huan; Song, Jinshuai; Xu, Hai-Chao","Electrochemical Difluoromethylarylation of Alkynes.","Journal of the American Chemical Society","2018","140","7","2460","2464","10.1021/jacs.8b00391","","","0.71073","MoKα","","0.0618","0.0532","","","0.1397","0.1459","","","","","","1.074","","","","has coordinates","242068","2020-10-21","18:00:00",""
"4132027","13.0401","0.0015","22.315","0.0019","16.9829","0.0016","90","","94.276","0.007","90","","4928.1","0.8","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H160 Mo8 N4 O28 -","- C72 H160 Mo8 N4 O28 -","- C144 H320 Mo16 N8 O56 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.7388","Synchrotron","","0.0806","0.0663","","","0.184","0.1927","","","","","","1.079","","","","has coordinates","242069","2020-10-21","18:00:00",""
"4132028","16.7178","0.0004","34.1498","0.0006","18.9986","0.0003","90","","96.009","0.004","90","","10786.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C164 H120 B4 F16 N40 O24 Pd4 S3 -","- C328 H240 B8 F32 N80 O48 Pd8 S6 -","2","0.5","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","1.54184","CuKα","","0.1375","0.1186","","","0.3659","0.3949","","","","","","1.63","","","","has coordinates,has disorder","242070","2020-10-21","18:00:00",""
"4132029","18.388","0.004","36.235","0.007","38.605","0.008","90","","90.18","0.03","90","","25722","9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H96 B4 F16 N40 O24 Pd4 -","- C128 H96 B4 F16 N40 O24 Pd4 -","- C512 H384 B16 F64 N160 O96 Pd16 -","4","1","","Cai, Li-Xuan; Li, Shao-Chuan; Yan, Dan-Ni; Zhou, Li-Peng; Guo, Fang; Sun, Qing-Fu","Water-Soluble Redox-Active Cage Hosting Polyoxometalates for Selective Desulfurization Catalysis.","Journal of the American Chemical Society","2018","140","14","4869","4876","10.1021/jacs.8b00394","","","0.68857","synchrotron","","0.1091","0.0989","","","0.3273","0.3407","","","","","","1.539","","","","has coordinates","242071","2020-10-21","18:00:00",""
"4132030","10.8549","0.0006","17.272","0.0009","25.326","0.0013","90","","100.638","0.0016","90","","4666.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 F24 Mo2 O10 -","- C36 H38 F24 Mo2 O10 -","- C144 H152 F96 Mo8 O40 -","4","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0342","0.0241","","","0.0544","0.062","","","","","","1.132","","","","has coordinates,has disorder","242072","2020-10-21","18:00:00",""
"4132031","10.1656","0.001","10.6334","0.0011","14.9661","0.0015","89.0887","0.0016","71.4763","0.0015","66.749","0.0015","1398.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 F12 Mo O4 P -","- C24 H25 F12 Mo O4 P -","- C48 H50 F24 Mo2 O8 P2 -","2","1","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0207","0.0196","","","0.0472","0.0477","","","","","","1.092","","","","has coordinates","242073","2020-10-21","18:00:00",""
"4132032","18.003","0.0011","24.0118","0.0013","23.9393","0.0015","90","","90.302","0.003","90","","10348.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H78 Cl Mo O3 P -","- C52 H78 Cl Mo O3 P -","- C416 H624 Cl8 Mo8 O24 P8 -","8","2","","Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Alkylidene Complexes through Addition of Water to an Alkylidyne Complex.","Journal of the American Chemical Society","2018","140","8","2797","2800","10.1021/jacs.8b00499","","","0.71073","MoKα","","0.0822","0.0681","","","0.1902","0.2113","","","","","","1.042","","","","has coordinates,has disorder","242074","2020-10-21","18:00:00",""
"4132033","38.555","0.004","38.555","0.004","17.0605","0.0019","90","","90","","120","","21963","4","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C90.67 H44 B12 Ni0.67 O32.67 Zr6 -","- C90.6672 H44 B12.0021 Ni0.666667 O32.6667 Zr6 -","- C272.002 H132 B36.0064 Ni2 O98 Zr18 -","3","0.125","","Kung, Chung-Wei; Otake, Kenichi; Buru, Cassandra T.; Goswami, Subhadip; Cui, Yuexing; Hupp, Joseph T.; Spokoyny, Alexander M.; Farha, Omar K.","Increased Electrical Conductivity in a Mesoporous Metal-Organic Framework Featuring Metallacarboranes Guests.","Journal of the American Chemical Society","2018","140","11","3871","3875","10.1021/jacs.8b00605","","","0.71073","MoKα","","0.1423","0.1167","","","0.3224","0.3438","","","","","","1.085","","","","has coordinates,has disorder","242075","2020-10-21","18:00:00",""
"4132034","8.1648","0.0003","16.1293","0.0006","11.1095","0.0004","90","","98.45","0.002","90","","1447.16","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 B N O4 -","- C13 H24 B N O4 -","- C52 H96 B4 N4 O16 -","4","1","","Ng, Elvis Wang Hei; Low, Kam-Hung; Chiu, Pauline","Synthesis and Applications of Unquaternized C-Bound Boron Enolates.","Journal of the American Chemical Society","2018","140","10","3537","3541","10.1021/jacs.8b00614","","","1.54178","CuKα","","0.0867","0.0667","","","0.2004","0.2289","","","","","","1.062","","","","has coordinates","242076","2020-10-21","18:00:00",""
"4132035","10.3038","0.0007","16.368","0.0012","7.0296","0.0005","90","","104.63","0.0019","90","","1147.12","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 -","- C30 H30 N4 -","- C60 H60 N8 -","2","0.5","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.0729","0.0475","","","0.0901","0.0996","","","","","","1.075","","","","has coordinates","242077","2020-10-21","18:00:00",""
"4132036","15.0083","0.0008","16.9522","0.0009","17.9794","0.001","87.08","0.002","65.452","0.001","67.926","0.001","3825.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H106 N6 Na O11 Zr -","- C86 H106 N6 Na O11 Zr -","- C172 H212 N12 Na2 O22 Zr2 -","2","1","","Zhang, Yu; Lee, Tia S.; Petersen, Jeffrey L.; Milsmann, Carsten","A Zirconium Photosensitizer with a Long-Lived Excited State: Mechanistic Insight into Photoinduced Single-Electron Transfer.","Journal of the American Chemical Society","2018","140","18","5934","5947","10.1021/jacs.8b00742","","","0.71073","MoKα","","0.105","0.0672","","","0.1467","0.1728","","","","","","1.032","","","","has coordinates,has disorder","242078","2020-10-21","18:00:00",""
"4132037","13.039","0.002","14.398","0.002","7.8109","0.001","90","","97.6","0.02","90","","1453.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C76 H60 N8 O4 -","2","0.25","","Sun, Yanqiu; Lei, Yilong; Dong, Huanli; Zhen, Yonggang; Hu, Wenping","Solvatomechanical Bending of Organic Charge Transfer Cocrystal.","Journal of the American Chemical Society","2018","140","20","6186","6189","10.1021/jacs.8b00772","","","0.71073","MoKα","","0.062","0.0509","","","0.1455","0.1574","","","","","","1.035","","","","has coordinates","242079","2020-10-21","18:00:00",""
"4132038","11.5521","0.0006","24.1457","0.0009","19.7738","0.001","90","","106.01","0.005","90","","5301.6","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.83 H52.66 Cl9.72 N Sb0.98 -","- C51.829 H52.658 Cl9.719 N Sb0.978 -","- C207.316 H210.632 Cl38.876 N4 Sb3.912 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.147","0.0945","","","0.2293","0.2635","","","","","","1.083","","","","has coordinates,has disorder","242080","2020-10-21","18:00:00",""
"4132039","17.484","0.008","18.351","0.008","18.671","0.009","110.418","0.004","104.903","0.002","108.597","0.0016","4842","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H99 Cl13 N2 Sb2 -","- C106 H99 Cl13 N2 Sb2 -","- C212 H198 Cl26 N4 Sb4 -","2","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71075","MoKα","","0.0927","0.0687","","","0.2072","0.2367","","","","","","1.089","","","","has coordinates,has disorder","242081","2020-10-21","18:00:00",""
"4132040","32.3774","0.0008","12.2907","0.0003","29.9008","0.0007","90","","90.309","0.002","90","","11898.6","0.5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128.76 H137.19 Cl14.9 N2 O2.73 Sb2 -","- C128.758 H137.193 Cl14.9016 N2 O2.7254 Sb2 -","- C515.03 H548.77 Cl59.6064 N8 O10.9016 Sb8 -","4","0.5","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0655","0.0541","","","0.1368","0.143","","","","","","1.081","","","","has coordinates,has disorder","242082","2020-10-21","18:00:00",""
"4132041","21.4102","0.0005","30.3917","0.0005","25.3832","0.0005","90","","108.985","0.003","90","","15618.2","0.6","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C199.77 H195.32 N4 -","- C199.774 H195.322 N4 -","- C799.096 H781.288 N16 -","4","1","","Yokoi, Hiroki; Hiroto, Satoru; Shinokubo, Hiroshi","Reversible σ-Bond Formation in Bowl-Shaped π-Radical Cations: The Effects of Curved and Planar Structures.","Journal of the American Chemical Society","2018","140","13","4649","4655","10.1021/jacs.8b00798","","","0.71073","MoKα","","0.0994","0.0607","","","0.1506","0.1795","","","","","","1.033","","","","has coordinates,has disorder","242083","2020-10-21","18:00:00",""
"4132042","35.1167","0.0005","14.8989","0.0002","30.9479","0.0004","90","","101.33","0.001","90","","15876.4","0.4","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C128.45 H146.48 Br4.81 I12 N24 Zn6 -","- C128.444 H146.476 Br4.804 I12 N24 Zn6 -","- C513.776 H585.904 Br19.216 I48 N96 Zn24 -","4","1","","Goh, Shermin S.; Champagne, Pier Alexandre; Guduguntla, Sureshbabu; Kikuchi, Takashi; Fujita, Makoto; Houk, K. N.; Feringa, Ben L.","Stereospecific Ring Contraction of Bromocycloheptenes through Dyotropic Rearrangements via Nonclassical Carbocation-Anion Pairs.","Journal of the American Chemical Society","2018","140","15","4986","4990","10.1021/jacs.8b00821","","","0.71075","MoKα","","0.0638","0.0565","","","0.1567","0.1625","","","","","","1.061","","","","has coordinates,has disorder","242084","2020-10-21","18:00:00",""
"4132043","17.388","0.003","5.0944","0.0009","20.83","0.004","90","","106.664","0.006","90","","1767.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Liu, Zhen; Ni, Hui-Qi; Zeng, Tian; Engle, Keary M.","Catalytic Carbo- and Aminoboration of Alkenyl Carbonyl Compounds via Five- and Six-Membered Palladacycles.","Journal of the American Chemical Society","2018","140","9","3223","3227","10.1021/jacs.8b00881","","x-ray","0.71073","MoKα","","0.0791","0.0464","","","0.1012","0.1146","","","","","","1.012","","","","has coordinates","242085","2020-10-21","18:00:00",""
"4132044","10.566","0.0007","12.3759","0.0009","14.7842","0.001","107.368","0.003","101.454","0.003","94.717","0.004","1787.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8b","[(1-Ad)2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C42 H57 F N O2 P Pd -","- C42 H57 F N O2 P Pd -","- C84 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0336","0.0291","","","0.0648","0.0687","","","","","","1.116","","","","has coordinates","242086","2020-10-21","18:00:00",""
"4132045","8.2454","0.0007","16.806","0.0014","21.3582","0.0018","90","","99.868","0.002","90","","2915.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8a","[t-Bu2(2-(OCH3)C6H4)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C30 H45 F N O2 P Pd -","- C30 H45 F N O2 P Pd -","- C120 H180 F4 N4 O8 P4 Pd4 -","4","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0449","0.0394","","","0.0886","0.0924","","","","","","1.098","","","","has coordinates","242087","2020-10-21","18:00:00",""
"4132046","11.1182","0.0013","11.9143","0.0014","14.2549","0.0016","70.103","0.002","73.8","0.002","77.068","0.002","1687.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","8e","(1-Ad)2(CH3OCH2CH2)P]Pd(syn-3-CH3norborn-2-yl)NH(4-F-2-(OCH3)C6H3)","","- C38 H57 F N O2 P Pd -","- C38 H57 F N O2 P Pd -","- C76 H114 F2 N2 O4 P2 Pd2 -","2","1","","Peacock, D. Matthew; Jiang, Quan; Hanley, Patrick S.; Cundari, Thomas R.; Hartwig, John F.","Reductive Elimination from Phosphine-Ligated Alkylpalladium(II) Amido Complexes To Form sp<sup>3</sup> Carbon-Nitrogen Bonds.","Journal of the American Chemical Society","2018","140","14","4893","4904","10.1021/jacs.8b00928","","","0.71073","MoKα","","0.0525","0.0421","","","0.102","0.1087","","","","","","1.068","","","","has coordinates","242088","2020-10-21","18:00:00",""
"4132047","10.1418","0.0005","14.6984","0.0008","15.9199","0.0009","74.683","0.003","80.155","0.003","83.512","0.003","2249.4","0.2","100","2","100.05","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H33 B Cl2 F20 Ir P -","- C45 H33 B Cl2 F20 Ir P -","- C90 H66 B2 Cl4 F40 Ir2 P2 -","2","1","","Klet, Rachel C.; Kaphan, David M.; Liu, Cong; Yang, Ce; Kropf, A. Jeremy; Perras, Frédéric A; Pruski, Marek; Hock, Adam S.; Delferro, Massimiliano","Evidence for Redox Mechanisms in Organometallic Chemisorption and Reactivity on Sulfated Metal Oxides.","Journal of the American Chemical Society","2018","140","20","6308","6316","10.1021/jacs.8b00995","","","0.71073","MoKα","","0.0518","0.0413","","","0.0875","0.0908","","","","","","1.071","","","","has coordinates,has disorder","242089","2020-10-21","18:00:00",""
"4132048","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4 b m","P 4 -2ab","100","39% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.743 -","- C H5 I3 N2 Pb0.743 -","- C2 H10 I6 N4 Pb1.486 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0877","0.0769","","","0.1475","0.1483","","","","3.65","3.65","3.32","","","","has coordinates","242090","2020-10-21","18:00:00",""
"4132049","9.0452","0.0008","9.0452","0.0008","6.4036","0.0011","90","","90","","90","","523.91","0.11","293","","293","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","39% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.755 -","- C I3 N2 Pb0.755 -","- C2 I6 N4 Pb1.51 -","2","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0664","0.0606","","","0.1071","0.1077","","","","3.01","3.01","2.86","","","","has coordinates","242091","2020-10-21","18:00:00",""
"4132050","15.54","0.002","5.0795","0.0006","5.0964","0.0007","90","","96.032","0.011","90","","400.06","0.09","293","","293","","","","","","","","","4","I 1 2/m 1","-I 2y","12","ethylenediamonium iodide","","","- C2 H10 I2 N2 -","- C2 H9 I2 N2 -","- C4 H18 I4 N4 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0518","0.045","","","0.1061","0.1071","","","","3.38","3.38","3.24","","","","has coordinates","242092","2020-10-21","18:00:00",""
"4132051","6.3652","0.0019","9.002","0.002","9.0065","0.0013","90","","90","","90","","516.1","0.2","293","","293","","","","","","","","","5","A m m 2","A 2 -2","38","27% ethylenediamonium formamidinium lead iodide","","","- C H5 I3 N2 Pb0.96 -","- C H5 I3 N2 Pb0.96 -","- C2 H10 I6 N4 Pb1.92 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.1161","0.0801","","","0.2226","0.2264","","","","3.9","3.9","3.02","","","","has coordinates","242093","2020-10-21","18:00:00",""
"4132052","16.492","0.003","4.7532","0.0011","10.4165","0.0018","90","","113.907","0.012","90","","746.5","0.3","293","","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","ethylenediamonium lead iodide","","","- C2 H12 I4 N2 O2 Pb -","- C2 H12 I4 N2 O2 Pb -","- C4 H24 I8 N4 O4 Pb2 -","2","0.25","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0692","0.0605","","","0.1326","0.1332","","","","3.61","3.61","3.36","","","","has coordinates","242094","2020-10-21","18:00:00",""
"4132053","6.343","0.003","6.343","0.003","6.34","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","44% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","- C H6 I3 N Pb0.815 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0684","0.0433","","","0.065","0.0691","","","","1.26","1.26","1.11","","","","has coordinates","242095","2020-10-21","18:00:00",""
"4132054","6.342","0.003","6.342","0.003","6.342","0.003","90","","90","","90","","255.1","0.2","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","44% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.818 -","- C I3 N0.9996 Pb0.818 -","- C I3 N0.9996 Pb0.818 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0425","0.0368","","","0.0754","0.076","","","","2.37","2.37","2.26","","","","has coordinates","242096","2020-10-21","18:00:00",""
"4132055","6.3338","0.0018","6.3338","0.0018","6.3338","0.0018","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","29% ethylenediamonium methylamonium lead iodide","","","- C H0 I3 N Pb0.854 -","- C I3 N0.9996 Pb0.854 -","- C I3 N0.9996 Pb0.854 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0464","0.0442","","","0.0947","0.0948","","","","2.89","2.89","2.8","","","","has coordinates","242097","2020-10-21","18:00:00",""
"4132056","6.3663","0.0019","6.3663","0.0019","6.3663","0.0019","90","","90","","90","","258.02","0.13","293","","293","","","","","","","","","5","P m -3 m","-P 4 2 3","221","27% ethylenediamonium formamidinium lead iodide","","","- C H0 I3 N2 Pb0.946 -","- C I3 N2.0004 Pb0.95 -","- C I3 N2.0004 Pb0.95 -","1","0.0208333","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0752","0.0705","","","0.1613","0.1614","","","","4.47","4.47","4.15","","","","has coordinates","242098","2020-10-21","18:00:00",""
"4132057","6.3361","0.0017","6.3361","0.0017","6.329","0.002","90","","90","","90","","254.09","0.13","293","","293","","","","","","","","","5","P 4 m m","P 4 -2","99","29% ethylenediamonium methylamonium lead iodide","","","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","- C H6 I3 N Pb0.847 -","1","0.125","","Spanopoulos, Ioannis; Ke, Weijun; Stoumpos, Constantinos C.; Schueller, Emily C.; Kontsevoi, Oleg Y.; Seshadri, Ram; Kanatzidis, Mercouri G.","Unraveling the Chemical Nature of the 3D ""Hollow"" Hybrid Halide Perovskites.","Journal of the American Chemical Society","2018","140","17","5728","5742","10.1021/jacs.8b01034","","x-ray","0.71073","MoKα","","0.0574","0.0461","","","0.1022","0.1031","","","","2.12","2.12","1.75","","","","has coordinates","242099","2020-10-21","18:00:00",""
"4132058","12.3598","0.0005","8.1021","0.0003","14.4042","0.0005","90","","104.805","0.004","90","","1394.55","0.09","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0761","0.0485","","","0.1087","0.1232","","","","","","1.011","","","","has coordinates","242100","2020-10-21","18:00:00",""
"4132059","13.46881","0.00019","23.5381","0.0003","14.6728","0.0002","90","","96.9576","0.0013","90","","4617.47","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H55 Cl3 N2 Ni -","- C55 H55 Cl3 N2 Ni -","- C220 H220 Cl12 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.1044","0.1085","","","","","","1.03","","","","has coordinates,has disorder","242101","2020-10-21","18:00:00",""
"4132060","11.672","0.0004","18.1421","0.0005","18.3663","0.0005","90","","90","","90","","3889.1","0.2","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N2 -","- C49 H48 N2 -","- C196 H192 N8 -","4","1","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0846","0.0515","","","0.1073","0.1166","","","","","","0.896","","","","has coordinates","242102","2020-10-21","18:00:00",""
"4132061","17.77519","0.00018","19.4896","0.0002","16.16113","0.00019","90","","90","","90","","5598.72","0.1","100","0.1","100","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C59 H52 Au Cl N2 -","- C59 H52 Au Cl N2 -","- C236 H208 Au4 Cl4 N8 -","4","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0236","0.023","","","0.0595","0.0599","","","","","","1.033","","","","has coordinates","242103","2020-10-21","18:00:00",""
"4132062","12.34517","0.00016","21.7875","0.0003","22.0081","0.0003","90","","98.0106","0.0012","90","","5861.77","0.14","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H65 Cl N2 Ni -","- C71 H65 Cl N2 Ni -","- C284 H260 Cl4 N8 Ni4 -","4","2","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.055","0.0491","","","0.1261","0.1323","","","","","","1.018","","","","has coordinates","242104","2020-10-21","18:00:00",""
"4132063","15.8368","0.0006","11.3047","0.0003","14.2276","0.0005","90","","114.29","0.004","90","","2321.68","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H52 Au Cl5 N2 -","- C51 H52 Au Cl5 N2 -","- C102 H104 Au2 Cl10 N4 -","2","0.5","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0531","0.0531","","","0.1463","0.1463","","","","","","1.074","","","","has coordinates","242105","2020-10-21","18:00:00",""
"4132064","8.6511","0.0003","22.3002","0.0009","12.8632","0.0006","90","","95.8418","0.0019","90","","2468.7","0.17","100","2","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Fe P -","- C26 H43 Fe P -","- C104 H172 Fe4 P4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0316","0.0272","","","0.0677","0.0703","","","","","","1.055","","","","has coordinates","242106","2020-10-21","18:00:00",""
"4132065","15.6114","0.0011","26.303","0.002","16.3706","0.0012","90","","90.023","0.001","90","","6722.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe N2 P Si -","- C32 H57 Fe N2 P Si -","- C256 H456 Fe8 N16 P8 Si8 -","8","2","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.086","0.0592","","","0.1238","0.1419","","","","","","1.024","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132066","10.3308","0.0012","10.7423","0.0012","13.3532","0.0015","77.326","0.002","83.547","0.002","74.207","0.002","1389","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H43 Fe N2 P Si -","- C29 H43 Fe N2 P Si -","- C58 H86 Fe2 N4 P2 Si2 -","2","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0272","0.0257","","","0.0645","0.066","","","","","","1.061","","","","has coordinates","242108","2020-10-21","18:00:00",""
"4132067","27.887","0.003","11.5982","0.0013","11.5654","0.001","90","","90","","90","","3740.7","0.7","100","2","99.99","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41.01 H60.01 Fe P Si -","- C41 H60 Fe P Si -","- C164 H240 Fe4 P4 Si4 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.1106","0.0657","","","0.0973","0.1075","","","","","","1.13","","","","has coordinates,has disorder","242109","2020-10-21","18:00:00",""
"4132068","12.1407","0.0009","10.2012","0.0007","26.3408","0.0019","90","","90.418","0.005","90","","3262.2","0.4","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H57 Fe P Si -","- C32 H57 Fe P Si -","- C128 H228 Fe4 P4 Si4 -","4","1","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0774","0.0634","","","0.1493","0.157","","","","","","1.164","","","","has coordinates","242110","2020-10-21","18:00:00",""
"4132069","14.0318","0.0003","15.674","0.0003","33.3126","0.0006","90","","90","","90","","7326.6","0.2","100","2","100.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H118 Fe2 P2 Si2 -","- C82 H118 Fe2 P2 Si2 -","- C328 H472 Fe8 P8 Si8 -","4","0.5","","Smith, Patrick W.; Tilley, T. Don","Base-Free Iron Hydrosilylene Complexes via an α-Hydride Migration that Induces Spin Pairing.","Journal of the American Chemical Society","2018","140","11","3880","3883","10.1021/jacs.8b01185","","","0.71073","MoKα","","0.0481","0.0353","","","0.0845","0.0916","","","","","","1.036","","","","has coordinates,has disorder","242111","2020-10-21","18:00:00",""
"4132070","13.9333","0.0008","12.3236","0.0006","16.8031","0.0009","90","","109.674","0.002","90","","2716.8","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 N O3 P Pd -","- C29 H34 N O3 P Pd -","- C116 H136 N4 O12 P4 Pd4 -","4","1","","Zhu, Ru-Yi; Li, Zi-Qi; Park, Han Seul; Senanayake, Chris H.; Yu, Jin-Quan","Ligand-Enabled γ-C(sp<sup>3</sup>)-H Activation of Ketones.","Journal of the American Chemical Society","2018","140","10","3564","3568","10.1021/jacs.8b01359","","x-ray","0.71073","MoKα","","0.0293","0.0221","","","0.049","0.0524","","","","","","1.039","","","","has coordinates","242112","2020-10-21","18:00:00",""
"4132071","8.1391","0.0003","18.5972","0.0008","16.2536","0.0007","90","","101.985","0.003","90","","2406.59","0.17","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F9 I N3 O4 S2 -","- C18 H10 Au F9 I N3 O4 S2 -","- C72 H40 Au4 F36 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0367","0.0247","","","0.0424","0.0452","","","","","","1.014","","","","has coordinates","242113","2020-10-21","18:00:00",""
"4132072","11.0172","0.0003","8.4253","0.0002","27.8416","0.0007","90","","100.394","0.0018","90","","2541.94","0.11","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Au F8 I2 N3 O4 S2 -","- C18 H10 Au F8 I2 N3 O4 S2 -","- C72 H40 Au4 F32 I8 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0504","0.0336","","","0.0581","0.0622","","","","","","1.048","","","","has coordinates","242114","2020-10-21","18:00:00",""
"4132073","9.7482","0.0004","18.0342","0.0006","20.0241","0.0007","92.573","0.002","102.927","0.002","95.368","0.002","3408.1","0.2","101","2","101.13","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Au F8 I N3 O4 S2 -","- C31 H23 Au F8 I N3 O4 S2 -","- C124 H92 Au4 F32 I4 N12 O16 S8 -","4","2","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0303","0.0233","","","0.0453","0.0469","","","","","","1.011","","","","has coordinates,has disorder","242115","2020-10-21","18:00:00",""
"4132074","8.1314","0.0003","14.0057","0.0006","17.569","0.0007","90","","90.71","0.002","90","","2000.71","0.14","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Au F8 N3 O4 S2 -","- C14 H10 Au F8 N3 O4 S2 -","- C56 H40 Au4 F32 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0204","0.0179","","","0.0451","0.0462","","","","","","1.065","","","","has coordinates,has disorder","242116","2020-10-21","18:00:00",""
"4132075","14.6761","0.0003","10.1045","0.0002","16.7196","0.0003","90","","108.482","0.001","90","","2351.54","0.08","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 Au F8 I N3 O4 S3 -","- C16 H9 Au F8 I N3 O4 S3 -","- C64 H36 Au4 F32 I4 N12 O16 S12 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0264","0.0208","","","0.0435","0.0451","","","","","","1.022","","","","has coordinates,has disorder","242117","2020-10-21","18:00:00",""
"4132076","8.2089","0.0002","16.0113","0.0004","19.2265","0.0004","90","","97.1398","0.0013","90","","2507.44","0.1","100","2","100.04","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C18 H10 Au Cl F8 I N3 O4 S2 -","- C72 H40 Au4 Cl4 F32 I4 N12 O16 S8 -","4","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0259","0.0201","","","0.0398","0.0414","","","","","","1.042","","","","has coordinates","242118","2020-10-21","18:00:00",""
"4132077","8.1277","0.0003","12.1214","0.0004","12.9584","0.0004","102.843","0.0018","96.108","0.002","91.9896","0.0019","1235.4","0.07","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H13 Au F8 I N3 O5 S2 -","- C19 H13 Au F8 I N3 O5 S2 -","- C38 H26 Au2 F16 I2 N6 O10 S4 -","2","1","","Harper, Matthew J.; Arthur, Christopher J.; Crosby, John; Emmett, Edward J.; Falconer, Rosalyn L.; Fensham-Smith, Andrew J; Gates, Paul J.; Leman, Thomas; McGrady, John E.; Bower, John F.; Russell, Christopher A.","Oxidative Addition, Transmetalation, and Reductive Elimination at a 2,2'-Bipyridyl-Ligated Gold Center.","Journal of the American Chemical Society","2018","140","12","4440","4445","10.1021/jacs.8b01411","","","0.71073","MoKα","","0.0246","0.0222","","","0.0559","0.057","","","","","","1.041","","","","has coordinates","242119","2020-10-21","18:00:00",""
"4132078","28.2502","0.0004","12.9485","0.0001","28.5346","0.0004","90","","117.361","0.002","90","","9270.2","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H66 Cl13 Ir N2 O7 P2 -","- C87 H66 Cl13 Ir N2 O7 P2 -","- C348 H264 Cl52 Ir4 N8 O28 P8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0808","0.0739","","","0.2376","0.2433","","","","","","1.583","","","","has coordinates,has disorder","242120","2020-10-21","18:00:00",""
"4132079","5.1673","0.0001","8.8734","0.0001","46.1987","0.0004","90","","90","","90","","2118.28","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O2 -","- C25 H24 Br N O2 -","- C100 H96 Br4 N4 O8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0519","0.0514","","","0.129","0.1293","","","","","","1.221","","","","has coordinates,has disorder","242121","2020-10-21","18:00:00",""
"4132080","5.0689","0.0001","35.6007","0.0008","6.3931","0.0002","90","","110.04","0.001","90","","1083.82","0.05","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C48 H48 Cl4 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0494","0.0469","","","0.1384","0.1402","","","","","","1.124","","","","has coordinates","242122","2020-10-21","18:00:00",""
"4132081","4.641","0.002","8.2418","0.0017","14.425","0.004","79.39","0.019","83.33","0.03","88.51","0.02","538.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","GEP1","","","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","- C24 H24 Cl2 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0354","0.0346","","","0.093","0.0936","","","","","","1.066","","","","has coordinates","242123","2020-10-21","18:00:00",""
"4132082","5.1899","0.0003","6.6276","0.0004","18.7943","0.0011","94.542","0.001","95.57","0.001","108.608","0.001","605.6","0.06","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0329","0.0328","","","0.0823","0.0823","","","","","","1.142","","","","has coordinates","242124","2020-10-21","18:00:00",""
"4132083","5.2089","0.0003","6.3003","0.0004","20.6203","0.0014","83.772","0.003","86.99","0.003","69.934","0.003","631.8","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","GEP2","","","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","- C24 H6 Cl2 F18 N2 O4 -","1","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.043","0.0415","","","0.1123","0.1132","","","","","","1.192","","","","has coordinates","242125","2020-10-21","18:00:00",""
"4132084","12.0361","0.0009","16.7027","0.0012","5.9578","0.0005","90","","104.27","0.004","90","","1160.77","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","GEP7 phase 2","","","- C22 H6 Br2 F14 N2 O4 -","- C22 H6 Br2 F14 N2 O4 -","- C44 H12 Br4 F28 N4 O8 -","2","0.5","","Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin","Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.","Journal of the American Chemical Society","2018","140","24","7519","7525","10.1021/jacs.8b01421","","","1.54178","CuKα","","0.0385","0.0372","","","0.0928","0.0942","","","","","","1.09","","","","has coordinates","242126","2020-10-21","18:00:00",""
"4132085","11.1186","0.0005","15.8136","0.0008","23.5352","0.0012","73.085","0.004","86.315","0.004","69.691","0.004","3709.8","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H107 K N12 Ni4 O3 -","- C78 H107 K N12 Ni4 O3 -","- C156 H214 K2 N24 Ni8 O6 -","2","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.1098","0.0513","","","0.0978","0.1141","","","","","","0.863","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132086","11.2912","0.0002","25.8683","0.0004","27.1074","0.0004","90","","90","","90","","7917.6","0.2","133","2","133","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C79 H117 K N6 Ni2 O13 -","- C79 H117 K N6 Ni2 O13 -","- C316 H468 K4 N24 Ni8 O52 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.06","0.0418","","","0.0994","0.1144","","","","","","1.114","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132087","17.3032","0.0005","14.2469","0.0004","17.1692","0.0005","90","","113.291","0.002","90","","3887.6","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 N6 Ni2 O2.5 -","- C41 H57 N6 Ni2 O2.5 -","- C164 H228 N24 Ni8 O10 -","4","1","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0477","0.0347","","","0.0776","0.0817","","","","","","1.027","","","","has coordinates,has disorder","242127","2020-10-21","18:00:00",""
"4132088","18.5261","0.0008","16.442","0.0007","13.6294","0.0006","90","","118.32","0.003","90","","3654.7","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H54 N6 Ni2 O -","- C39 H54 N6 Ni2 O -","- C156 H216 N24 Ni8 O4 -","4","0.5","","Duan, Peng-Cheng; Manz, Dennis-Helmut; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc","Reductive O<sub>2</sub> Binding at a Dihydride Complex Leading to Redox Interconvertible μ-1,2-Peroxo and μ-1,2-Superoxo Dinickel(II) Intermediates.","Journal of the American Chemical Society","2018","140","14","4929","4939","10.1021/jacs.8b01468","","","0.71073","MoKα","","0.0308","0.0267","","","0.0719","0.0736","","","","","","1.057","","","","has coordinates","242127","2020-10-21","18:00:00",""
"4132089","64.922","0.0017","38.8988","0.0009","43.3302","0.0012","90","","93.821","0.002","90","","109182","5","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C700 H862 N173 O140 P8 -","- C798 H390 N177 O140 P8 -","- C3192 H1560 N708 O560 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1827","0.1355","","","0.3429","0.3901","","","","","","1.199","","","","has coordinates,has disorder","242128","2020-10-21","18:00:00",""
"4132090","24.088","0.0006","60.3283","0.0014","67.581","0.003","90","","90","","90","","98208","5","100","2","100.15","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C177.96 H221.9 N43.99 O40 P2 -","- C173.952 H191.88 N43.494 O40 P2 -","- C2783.23 H3070.08 N695.904 O640 P32 -","16","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.1212","0.1017","","","0.2761","0.2891","","","","","","1.132","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132091","43.47","0.003","39.035","0.003","58.398","0.005","90","","98.34","0.003","90","","98045","13","153","2","152.99","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C676.5 H419.5 K7 N157.25 O164 P8 -","- C676.615 H419.537 K7 N157.436 O164 P8 -","- C2706.46 H1678.15 K28 N629.743 O656 P32 -","4","0.5","","Zhang, Wenyao; Yang, Dong; Zhao, Jie; Hou, Lekai; Sessler, Jonathan L.; Yang, Xiao-Juan; Wu, Biao","Controlling the Recognition and Reactivity of Alkyl Ammonium Guests Using an Anion Coordination-Based Tetrahedral Cage.","Journal of the American Chemical Society","2018","140","15","5248","5256","10.1021/jacs.8b01488","","","1.54178","CuKα","","0.2138","0.1407","","","0.3616","0.4381","","","","","","1.108","","","","has coordinates","242128","2020-10-21","18:00:00",""
"4132092","10.193","0.0002","7.5099","0.0002","13.7839","0.0002","90","","103.819","0.002","90","","1024.59","0.04","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H19 Br F3 N O2 S2 -","- C19 H19 Br F3 N O2 S2 -","- C38 H38 Br2 F6 N2 O4 S4 -","2","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","x-ray","1.54184","CuKα","","0.0622","0.0612","","","0.196","0.1972","","","","","","1.122","","","","has coordinates","242129","2020-10-21","18:00:00",""
"4132093","5.6971","0.0002","7.5256","0.0002","37.5923","0.0009","90","","90","","90","","1611.74","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F4 S -","- C18 H18 F4 S -","- C72 H72 F16 S4 -","4","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","","1.54178","CuKα","","0.0415","0.0407","","","0.1094","0.11","","","","","","1.093","","","","has coordinates","242130","2020-10-21","18:00:00",""
"4132094","27.0451","0.0015","8.1328","0.0004","8.4296","0.0004","90","","90.081","0.004","90","","1854.11","0.16","298.15","","298.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.25","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.9919","synchrotron","","0.0431","0.0366","","","0.0915","0.0977","","","","","","1.167","","","","has coordinates,has disorder","242134","2020-10-21","18:00:00",""
"4132095","8.014","0.0004","7.8357","0.0003","19.6573","0.0009","90","","101.737","0.002","90","","1208.58","0.09","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","1","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0236","0.0224","","","0.0498","0.0503","","","","","","1.079","","","","has coordinates","242136","2020-10-21","18:00:00",""
"4132096","8.0848","0.0003","7.9801","0.0003","19.8422","0.0008","90","","101.755","0.002","90","","1253.32","0.08","298","","298","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(butylammonium) cesium heptabromoargentobismuthate","","- C8 H24 Ag Bi Br7 Cs N2 -","- C8 H24 Ag Bi Br7 Cs N2 -","- C16 H48 Ag2 Bi2 Br14 Cs2 N4 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0317","0.0275","","","0.0646","0.0669","","","","","","1.087","","","","has coordinates,has disorder","242138","2020-10-21","18:00:00",""
"4132097","8.1896","0.0004","8.0524","0.0004","26.779","0.0014","90","","90.049","0.003","90","","1765.97","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetra(butylammonium) octabromoargentobismuthate","","- C16 H48 Ag Bi Br8 N4 -","- C16 H48 Ag Bi Br8 N4 -","- C32 H96 Ag2 Bi2 Br16 N8 -","2","0.5","","Connor, Bridget A.; Leppert, Linn; Smith, Matthew D.; Neaton, Jeffrey B.; Karunadasa, Hemamala I.","Layered Halide Double Perovskites: Dimensional Reduction of Cs<sub>2</sub>AgBiBr<sub>6</sub>.","Journal of the American Chemical Society","2018","140","15","5235","5240","10.1021/jacs.8b01543","","x-ray","0.6888","synchrotron","","0.0413","0.0351","","","0.0672","0.0694","","","","","","1.103","","","","has coordinates","242139","2020-10-21","18:00:00",""
"4132098","10.9576","0.0008","20.9044","0.0018","8.4845","0.0006","90","","100.185","0.004","90","","1912.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C80 H88 N8 O32 -","8","2","","Discekici, Emre H.; St Amant, Andre H.; Nguyen, Shay N.; Lee, In-Hwan; Hawker, Craig J.; Read de Alaniz, Javier","Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization.","Journal of the American Chemical Society","2018","140","15","5009","5013","10.1021/jacs.8b01544","","","0.71073","MoKα","","0.0769","0.0441","","","0.0908","0.1048","","","","","","1.018","","","","has coordinates","242140","2020-10-21","18:00:00",""
"4132099","7.3408","0.0003","11.2168","0.0005","14.4712","0.0007","102.926","0.002","91.521","0.002","98.753","0.002","1145.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O10 -","- C26 H18 N2 O10 -","- C52 H36 N4 O20 -","2","1","","Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie","Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis.","Journal of the American Chemical Society","2018","140","15","5257","5263","10.1021/jacs.8b01561","","","1.54178","CuKα","","0.0383","0.031","","","0.0742","0.0835","","","","","","1.048","","","","has coordinates","242141","2020-10-21","18:00:00",""
"4132100","22.7031","0.0011","5.8682","0.0004","16.6098","0.0008","90","","107.064","0.005","90","","2115.4","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H23 Br N2 -","- C26 H23 Br N2 -","- C104 H92 Br4 N8 -","4","1","","Yin, Yanli; Dai, Yating; Jia, Hongshao; Li, Jiangtao; Bu, Liwei; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Conjugate Addition-Enantioselective Protonation of N-Aryl Glycines to α-Branched 2-Vinylazaarenes via Cooperative Photoredox and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","19","6083","6087","10.1021/jacs.8b01575","","x-ray","1.54184","CuKα","","0.0461","0.0407","","","0.0975","0.1021","","","","","","1.076","","","","has coordinates","242143","2020-10-21","18:00:00",""
"4132101","8.1385","0.0002","11.9075","0.0004","18.1107","0.0006","90","","95.295","0.001","90","","1747.6","0.09","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ru-PD","","","- C11 H19 Cl N O9 Ru2 -","- C11 H19 Cl N O9 Ru2 -","- C44 H76 Cl4 N4 O36 Ru8 -","4","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","x-ray","0.41328","","","0.028","0.0279","","","0.0743","0.0744","","","","","","1.106","","","","has coordinates","242144","2020-10-21","18:00:00",""
"4132102","8.7321","0.0011","21.947","0.003","22.807","0.003","90.743","0.002","93.98","0.003","92.211","0.003","4356.5","1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H31 N5 O11 Ru3 -","- C51 H31 N5 O11 Ru3 -","- C102 H62 N10 O22 Ru6 -","2","1","","Lan, Guangxu; Zhu, Yuan-Yuan; Veroneau, Samuel S.; Xu, Ziwan; Micheroni, Daniel; Lin, Wenbin","Electron Injection from Photoexcited Metal-Organic Framework Ligands to Ru<sub>2</sub> Secondary Building Units for Visible-Light-Driven Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","16","5326","5329","10.1021/jacs.8b01601","","","0.41328","","","0.1599","0.1478","","","0.4131","0.4295","","","","","","1.864","","","","has coordinates","242145","2020-10-21","18:00:00",""
"4132103","43.3239","0.0011","25.6455","0.0009","10.7279","0.0003","90","","90","","90","","11919.4","0.6","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C68 H79 N5 O6 -","- C68 H79 N5 O6 -","- C544 H632 N40 O48 -","8","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1096","0.089","","","0.1752","0.1858","","","","","","1.124","","","","has coordinates,has disorder","242146","2020-10-21","18:00:00",""
"4132104","9.6022","0.0002","17.0018","0.0002","17.6771","0.0003","90","","102.232","0.002","90","","2820.35","0.09","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H63 N11 O7 -","- C63 H63 N11 O7 -","- C126 H126 N22 O14 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.0586","0.0478","","","0.0917","0.097","","","","","","1.017","","","","has coordinates","242147","2020-10-21","18:00:00",""
"4132105","9.0601","0.0002","10.8306","0.0002","27.6685","0.0005","100.369","0.002","93.561","0.002","99.092","0.002","2625.63","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H71 N5 O4 -","- C64 H71 N5 O4 -","- C128 H142 N10 O8 -","2","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","1.54184","CuKα","","0.046","0.0382","","","0.0927","0.0978","","","","","","1.032","","","","has coordinates","242148","2020-10-21","18:00:00",""
"4132106","11.0999","0.0001","20.1467","0.0002","24.9074","0.0003","84.847","0.001","81.686","0.001","74.103","0.001","5293.25","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H65 N9 O4 -","- C62 H65 N9 O4 -","- C248 H260 N36 O16 -","4","2","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1001","0.0689","","","0.1278","0.141","","","","","","1.076","","","","has coordinates","242149","2020-10-21","18:00:00",""
"4132107","16.0021","0.0006","20.8606","0.0006","20.1134","0.0007","90","","100.792","0.004","90","","6595.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H62 Cl6 N16 O4 -","- C67 H62 Cl6 N16 O4 -","- C268 H248 Cl24 N64 O16 -","4","1","","Lewis, James E. M.; Modicom, Florian; Goldup, Stephen M.","Efficient Multicomponent Active Template Synthesis of Catenanes.","Journal of the American Chemical Society","2018","140","14","4787","4791","10.1021/jacs.8b01602","","","0.71073","MoKα","","0.1597","0.1127","","","0.2785","0.3109","","","","","","1.068","","","","has coordinates","242150","2020-10-21","18:00:00",""
"4132108","19.379","0.004","5.3296","0.0005","15.117","0.003","90","","111.02","0.02","90","","1457.4","0.5","293","2","293.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 O2 Si -","- C15 H18 O2 Si -","- C60 H72 O8 Si4 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","1.54184","CuKα","","0.1107","0.1014","","","0.2625","0.2829","","","","","","1.18","","","","has coordinates","242151","2020-10-21","18:00:00",""
"4132109","10.363","0.0004","19.5669","0.0007","20.1438","0.0007","90","","90","","90","","4084.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 Cl2 Fe N3 O2 -","- C46 H43 Cl2 Fe N3 O2 -","- C184 H172 Cl8 Fe4 N12 O8 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","0.71073","MoKα","","0.0486","0.0377","","","0.086","0.0943","","","","","","1.029","","","","has coordinates","242152","2020-10-21","18:00:00",""
"4132110","13.6131","0.0003","18.1837","0.0004","19.2192","0.0004","101.101","0.001","110.003","0.001","92.825","0.001","4352.48","0.17","170","2","170.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N6 O17.5 P2 -","- C37 H57 N6 O17.5 P2 -","- C148 H228 N24 O70 P8 -","4","2","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0988","0.0675","","","0.1759","0.2023","","","","","","1.028","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4132111","8.8956","0.0002","11.9078","0.0003","21.3431","0.0005","87.772","0.001","84.389","0.001","73.354","0.001","2155.55","0.09","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 F12 N8 O3 P2 -","- C40 H44 F12 N8 O3 P2 -","- C80 H88 F24 N16 O6 P4 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.0398","0.0377","","","0.0999","0.1016","","","","","","1.022","","","","has coordinates","242154","2020-10-21","18:00:00",""
"4132112","44.7259","0.0013","26.8344","0.0009","13.927","0.0004","90","","90","","90","","16715.1","0.9","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H32 Cl2 N6 O2 -","- C34 H32 Cl2 N6 O2 -","- C544 H512 Cl32 N96 O32 -","16","4","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.1465","0.0923","","","0.2626","0.3074","","","","","","0.989","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132113","12.3237","0.0006","13.4102","0.0007","13.7397","0.0006","74.526","0.004","85.761","0.003","67.151","0.003","2015.52","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 N6 O6 S -","- C35 H34 N6 O6 S -","- C70 H68 N12 O12 S2 -","2","1","","Wu, Guangcheng; Wang, Cai-Yun; Jiao, Tianyu; Zhu, Huangtianzhi; Huang, Feihe; Li, Hao","Controllable Self-Assembly of Macrocycles in Water for Isolating Aromatic Hydrocarbon Isomers.","Journal of the American Chemical Society","2018","140","18","5955","5961","10.1021/jacs.8b01651","","","1.34139","GaKα","","0.2012","0.1579","","","0.4367","0.4692","","","","","","1.67","","","","has coordinates,has disorder","242156","2020-10-21","18:00:00",""
"4132114","19.6959","0.0005","6.9198","0.0002","21.5771","0.0006","90","","114.912","0.001","90","","2667.16","0.13","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4ca","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C104 H136 Cl8 O24 S8 -","8","2","","Li, Zhen; Jangra, Harish; Chen, Quan; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Kinetics and Mechanism of Oxirane Formation by Darzens Condensation of Ketones: Quantification of the Electrophilicities of Ketones.","Journal of the American Chemical Society","2018","140","16","5500","5515","10.1021/jacs.8b01657","","","0.71073","MoKα","","0.0438","0.0324","","","0.0736","0.0803","","","","","","1.066","","","","has coordinates","242157","2020-10-21","18:00:00",""
"4132115","8.3662","0.0004","11.0924","0.0005","8.7666","0.0004","90","","111.045","0.001","90","","759.29","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0201","0.02","","","0.0513","0.0514","","","","","","1.032","","","","has coordinates","242158","2020-10-21","18:00:00",""
"4132116","6.4315","0.0002","10.2343","0.0003","22.1045","0.0006","90","","90","","90","","1454.96","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0268","0.0258","","","0.0648","0.0655","","","","","","1.049","","","","has coordinates","242159","2020-10-21","18:00:00",""
"4132117","35.454","0.007","33.3","0.006","15.96","0.003","90","","92.846","0.002","90","","18819","6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C192 H196 As5 Au6 Cl F30 P12 -","- C192 H196 As5 Au6 Cl F30 P12 -","- C768 H784 As20 Au24 Cl4 F120 P48 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0613","0.0431","","","0.0926","0.0999","","","","","","1.086","","","","has coordinates,has disorder","242160","2020-10-21","18:00:00",""
"4132118","15.7952","0.0019","33.133","0.004","19.067","0.002","90","","111.302","0.002","90","","9296.8","1.9","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[Au6Cl(box)](PF6)5.toluene","","","- C150 H148 Au6 Cl F30 P17 -","- C150 H148 Au6 Cl F30 P17 -","- C300 H296 Au12 Cl2 F60 P34 -","2","0.25","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.7749","synchrotron","","0.0673","0.0543","","","0.1492","0.161","","","","","","1.066","","","","has coordinates","242161","2020-10-21","18:00:00",""
"4132119","35.3414","0.0019","33.4913","0.0016","16.0576","0.0008","90","","92.322","0.001","90","","18990.6","1.7","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Au6(triphos)4](SbF6)5Cl.(toluene)7","","","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C185 H188 Au6 Cl F30 P12 Sb5 -","- C740 H752 Au24 Cl4 F120 P48 Sb20 -","4","0.5","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0545","0.0387","","","0.0856","0.0922","","","","","","1.078","","","","has coordinates,has disorder","242162","2020-10-21","18:00:00",""
"4132120","13.9411","0.0007","16.4211","0.0008","21.984","0.002","101.193","0.002","98.197","0.002","96.808","0.002","4830.9","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","[Au3(triphos)2](Otf)3 4toluene, H2O","","","- C99 H100 Au3 F9 O10 P6 S3 -","- C99 H100 Au3 F9 O10 P6 S3 -","- C198 H200 Au6 F18 O20 P12 S6 -","2","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0263","0.0228","","","0.0536","0.0549","","","","","","1.021","","","","has coordinates,has disorder","242163","2020-10-21","18:00:00",""
"4132121","25.058","0.002","13.8613","0.0013","42.523","0.004","90","","91.158","0.0013","90","","14767","2","90","2","90","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C139 H132 Au6 Cl F30 O3 P17 -","- C139 H132 Au6 Cl F30 O3 P17 -","- C556 H528 Au24 Cl4 F120 O12 P68 -","4","1","","Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex.","Journal of the American Chemical Society","2018","140","24","7533","7542","10.1021/jacs.8b01666","","","0.71073","MoKα","","0.0854","0.0798","","","0.1921","0.1949","","","","","","1.098","","","","has coordinates","242164","2020-10-21","18:00:00",""
"4132122","19.4006","0.001","25.4448","0.0014","25.5338","0.0012","90","","90","","90","","12604.6","1.1","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H83 F7 N O4 P Pd S -","- C63 H83 F7 N O4 P Pd S -","- C504 H664 F56 N8 O32 P8 Pd8 S8 -","8","1","","Dennis, Joseph M.; White, Nicholas A.; Liu, Richard Y.; Buchwald, Stephen L.","Breaking the Base Barrier: An Electron-Deficient Palladium Catalyst Enables the Use of a Common Soluble Base in C-N Coupling.","Journal of the American Chemical Society","2018","140","13","4721","4725","10.1021/jacs.8b01696","","","1.54178","CuKα","","0.1013","0.0542","","","0.1291","0.1626","","","","","","1.029","","","","has coordinates,has disorder","242165","2020-10-21","18:00:00",""
"4132123","11.5544","0.0018","6.1514","0.0009","25.784","0.004","90","","93.021","0.008","90","","1830.1","0.5","100","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 Si -","- C18 H23 N3 O2 Si -","- C72 H92 N12 O8 Si4 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","0.71073","MoKα","","0.0616","0.0402","","","0.0883","0.0979","","","","","","1.04","","","","has coordinates","242169","2020-10-21","18:00:00",""
"4132124","5.9911","0.0004","14.3103","0.0011","18.8938","0.0013","90","","90","","90","","1619.8","0.2","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwh-4-1178","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","1.54178","CuKα","","0.0631","0.0618","","","0.1469","0.1478","","","","","","1.052","","","","has coordinates","242170","2020-10-21","18:00:00",""
"4132125","10.7015","0.0003","22.7815","0.0005","11.3703","0.0003","90","","102.692","0.001","90","","2704.3","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H14 B10 O -","- C9 H14 B10 O -","- C72 H112 B80 O8 -","8","4","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.54178","CuKα","","0.1112","0.0846","","","0.2008","0.2223","","","","","","1.017","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132126","9.104","0.003","7.3271","0.0016","11.901","0.003","90","","106.709","0.01","90","","760.3","0.4","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","0.71073","MoKα","","0.039","0.0335","","","0.0771","0.0818","","","","","","1.071","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132127","9.1291","0.0005","7.3414","0.0004","11.9192","0.0005","90","","106.522","0.002","90","","765.85","0.07","301","2","300.67","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H13 B10 I O -","- C9 H13 B10 I O -","- C18 H26 B20 I2 O2 -","2","1","","Cheng, Ruofei; Li, Bowen; Wu, Jie; Zhang, Jie; Qiu, Zaozao; Tang, Wenjun; You, Shu-Li; Tang, Yong; Xie, Zuowei","Enantioselective Synthesis of Chiral-at-Cage o-Carboranes via Pd-Catalyzed Asymmetric B-H Substitution.","Journal of the American Chemical Society","2018","140","13","4508","4511","10.1021/jacs.8b01754","","","1.34139","GaKα","","0.0616","0.0429","","","0.1121","0.1236","","","","","","1.033","","","","has coordinates","242171","2020-10-21","18:00:00",""
"4132128","18.838","0.004","7.8317","0.0016","23.075","0.005","90","","93","0.03","90","","3399.7","1.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C42 H32 Cl2 N4 O2 -","- C42 H32 Cl2 N4 O2 -","- C168 H128 Cl8 N16 O8 -","4","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.103","0.0609","","","0.0934","0.1046","","","","","","1.1","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132129","11.06","0.002","11.18","0.002","21.621","0.004","85.64","0.03","80.41","0.03","65.33","0.03","2395.4","1","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","4,6-diClres, 2-pyr-4-ppyr","4,6-dichlororesorcinol, trans-1-(2-pyridyl)-2-(4-(4-phenyl)pyridyl)ethylene)","","- C54 H40 Cl6 N4 O6 -","- C54 H40 Cl6 N4 O6 -","- C108 H80 Cl12 N8 O12 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0817","0.0432","","","0.0777","0.0895","","","","","","1.015","","","","has coordinates","242172","2020-10-21","18:00:00",""
"4132130","14.24","0.003","16.4","0.003","17.079","0.003","74.866","0.005","84.001","0.005","78.978","0.005","3772.9","1.2","190","2","190.15","","","","","","","","","7","P -1","-P 1","2","[Cu4(2-pyr-4-ppyr-cb)2(hfacac)8].8CHCl3","[Cu4(K2,K1-2-pyr-4-ppyr-cb)]2[hfacac]8.8CHCl3","","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C60 H36 Cl12 Cu2 F24 N4 O8 -","- C120 H72 Cl24 Cu4 F48 N8 O16 -","2","1","","Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.","Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded ""Superassembly"" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.","Journal of the American Chemical Society","2018","140","14","4940","4944","10.1021/jacs.8b01775","","","0.7107","MoKα","","0.0849","0.0581","","","0.1403","0.153","","","","","","1.062","","","","has coordinates,has disorder","242172","2020-10-21","18:00:00",""
"4132131","10.542","0.005","15.037","0.007","17.602","0.009","80.603","0.014","77.248","0.015","79.736","0.015","2655","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H72 B11 N4 Na O2 Si2 -","- C40 H72 B11 N4 Na O2 Si2 -","- C80 H144 B22 N8 Na2 O4 Si4 -","2","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1498","0.0885","","","0.2027","0.232","","","","","","1.058","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4132132","13.0602","0.0003","33.657","0.0008","15.015","0.0004","90","","113.3","0.0012","90","","6061.8","0.3","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C49 H84 B11 Br N4 Na O2.5 Si2 -","- C196 H336 B44 Br4 N16 Na4 O10 Si8 -","4","1","","Wang, Hao; Zhang, Jiji; Lee, Hung Kay; Xie, Zuowei","Borylene Insertion into Cage B-H Bond: A Route to Electron-Precise B-B Single Bond.","Journal of the American Chemical Society","2018","140","11","3888","3891","10.1021/jacs.8b01795","","","0.71073","MoKα","","0.1018","0.0672","","","0.1947","0.2191","","","","","","1.057","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4132133","11.1142","0.0004","13.003","0.0005","13.8223","0.0005","66.511","0.004","88.482","0.003","67.769","0.004","1677.58","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C70 H72 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","- C70 H70 Cl6 N12 O4 -","1","0.5","","Kim, Soobin; Castillo, Henry D.; Lee, Milim; Mortensen, Riley D.; Tait, Steven L.; Lee, Dongwhan","From Foldable Open Chains to Shape-Persistent Macrocycles: Synthesis, Impact on 2D Ordering, and Stimulated Self-Assembly.","Journal of the American Chemical Society","2018","140","13","4726","4735","10.1021/jacs.8b01805","","x-ray","0.71073","MoKα","","0.1064","0.0876","","","0.2446","0.2639","","","","","","1.024","","","","has coordinates","242175","2020-10-21","18:00:00",""
"4132134","5.1746","0.0008","8.6038","0.0012","35.456","0.006","90","","90.339","0.008","90","","1578.5","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","","Bai, Yu-Bin; Luo, Zaigang; Wang, Yuguang; Gao, Jin-Ming; Zhang, Liming","Au-Catalyzed Intermolecular [2+2] Cycloadditions between Chloroalkynes and Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","17","5860","5865","10.1021/jacs.8b01813","","","0.71073","MoKα","","0.0797","0.0484","","","0.095","0.107","","","","","","1.038","","","","has coordinates","242176","2020-10-21","18:00:00",""
"4132135","7.8212","0.0003","15.7879","0.0006","19.7391","0.0007","109.275","0.003","100.01","0.003","91.118","0.003","2257.98","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17.5 H32 Cl3 Co N2 P -","- C17.5 H32 Cl3 Co N2 P -","- C70 H128 Cl12 Co4 N8 P4 -","4","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0556","0.0416","","","0.0949","0.1004","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132136","7.6131","0.0015","18.608","0.004","14.78","0.003","90","","98.42","0.03","90","","2071.2","0.8","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Co I2 N2 P -","- C16 H29 Co I2 N2 P -","- C64 H116 Co4 I8 N8 P4 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","","0.71073","MoKα","","0.0253","0.0243","","","0.052","0.0524","","","","","","1.206","","","","has coordinates","242178","2020-10-21","18:00:00",""
"4132137","16.6705","0.0005","8.1102","0.0002","27.7803","0.0007","90","","90","","90","","3755.93","0.17","173","0.1","173","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H27 Cl2 Co N2 P -","- C15 H27 Cl2 Co N2 P -","- C120 H216 Cl16 Co8 N16 P8 -","8","2","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0793","0.0754","","","0.1912","0.1954","","","","","","1.065","","","","has coordinates","242179","2020-10-21","18:00:00",""
"4132138","13.9796","0.0007","14.563","0.0007","17.6977","0.0007","90","","91.037","0.004","90","","3602.4","0.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl4 Co2 N4 P2 -","- C28 H50 Cl4 Co2 N4 P2 -","- C112 H200 Cl16 Co8 N16 P8 -","4","1","","Liu, Xufang; Zhang, Wei; Wang, Yujie; Zhang, Ze-Xin; Jiao, Lei; Liu, Qiang","Cobalt-Catalyzed Regioselective Olefin Isomerization Under Kinetic Control.","Journal of the American Chemical Society","2018","140","22","6873","6882","10.1021/jacs.8b01815","","x-ray","1.54184","CuKα","","0.0846","0.0649","","","0.1988","0.2123","","","","","","1.106","","","","has coordinates,has disorder","242180","2020-10-21","18:00:00",""
"4132139","12.5224","0.0006","12.8854","0.0006","21.9843","0.0011","93.576","0.002","103.138","0.002","118.4","0.0018","2977.9","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60.51 H40.06 Cl1.01 F9 Fe3 N6 O12 S3 -","- C60.5053 H40.06 Cl1.0106 F9 Fe3 N6 O12 S3 -","- C121.011 H80.12 Cl2.0212 F18 Fe6 N12 O24 S6 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0693","0.0428","","","0.0999","0.1113","","","","","","1.02","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132140","23.4333","0.0011","23.4333","0.0011","9.796","0.0005","90","","90","","120","","4658.5","0.4","100","","100","","","","","","","","","8","P -3","-P 3","147","","","","- C87.5 H64 Cl F9 Fe3 N12 O13 S3 -","- C87.5001 H64.0002 Cl1.0002 F9 Fe3 N12 O13 S3 -","- C175 H128 Cl2.0004 F18 Fe6 N24 O26 S6 -","2","0.333333","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.0886","0.0626","","","0.1678","0.1836","","","","","","1.033","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132141","15.486","0.002","15.4964","0.0018","19.448","0.002","100.128","0.002","93.878","0.004","93.078","0.003","4573.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C90.6 H68.17 Cl4.26 F6 Fe4 N12 O10.62 S2 -","- C90.601 H68.17 Cl4.266 F6 Fe4 N12 O10.617 S2 -","- C181.202 H136.34 Cl8.532 F12 Fe8 N24 O21.234 S4 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1245","0.0807","","","0.2239","0.2577","","","","","","1.049","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132142","14.4988","0.0005","45.032","0.002","14.6559","0.0007","90","","106.58","0.002","90","","9171.1","0.7","100","","99.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C91.07 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C91.075 H66.15 Cl6.15 F6 Fe4 N12 O12 S2 -","- C364.3 H264.6 Cl24.6 F24 Fe16 N48 O48 S8 -","4","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1225","0.1018","","","0.2745","0.2913","","","","","","1.05","","","","has coordinates","242181","2020-10-21","18:00:00",""
"4132143","40.403","0.004","17.5931","0.0017","25.468","0.003","90","","115.389","0.006","90","","16355","3","100","","100.03","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90.34 H60 F3 Fe4 N14.67 O7 S -","- C90.336 H60 F3 Fe4 N14.668 O7 S -","- C722.688 H480 F24 Fe32 N117.344 O56 S8 -","8","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","1.54178","CuKα","","0.1124","0.0847","","","0.2283","0.2541","","","","","","1.032","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132144","12.349","0.004","15.527","0.007","21.471","0.008","78.351","0.013","79.352","0.012","88.53","0.013","3962","3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C92 H65 F3 Fe4 N15 O8 S -","- C92 H65 F3 Fe4 N15 O8 S -","- C184 H130 F6 Fe8 N30 O16 S2 -","2","1","","Arnett, Charles H.; Chalkley, Matthew J.; Agapie, Theodor","A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters.","Journal of the American Chemical Society","2018","140","16","5569","5578","10.1021/jacs.8b01825","","","0.71073","MoKα","","0.1309","0.0877","","","0.2192","0.2596","","","","","","1.035","","","","has coordinates,has disorder","242181","2020-10-21","18:00:00",""
"4132145","7.5143","0.0003","12.9125","0.0004","13.961","0.0005","90","","90","","90","","1354.61","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C52 H40 N16 O28 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0362","0.0336","","","0.0926","0.0961","","","","","","1.059","","","","has coordinates","242185","2020-10-21","18:00:00",""
"4132146","9.2706","0.0003","17.6938","0.0007","9.5355","0.0003","90","","115.51","0.002","90","","1411.64","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N3 -","- C15 H27 N3 -","- C60 H108 N12 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0845","0.0592","","","0.1352","0.1458","","","","","","1.089","","","","has coordinates","242187","2020-10-21","18:00:00",""
"4132147","7.241","0.004","16.788","0.009","30.202","0.015","90","","90","","90","","3671","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.0998","0.0828","","","0.2006","0.2174","","","","","","1.077","","","","has coordinates,has disorder","242189","2020-10-21","18:00:00",""
"4132148","30.8426","0.0013","15.9684","0.0006","7.0861","0.0004","90","","90","","90","","3490","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H14 Cu F15 N6 -","- C41 H14 Cu F15 N6 -","- C164 H56 Cu4 F60 N24 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1046","0.0734","","","0.1605","0.1759","","","","","","1.071","","","","has coordinates","242191","2020-10-21","18:00:00",""
"4132149","15.3803","0.0004","16.8229","0.0005","16.9418","0.0005","66.502","0.003","77.999","0.003","76.171","0.003","3872.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H36 Cu2 F30 N8 O2 -","- C82 H36 Cu2 F30 N8 O2 -","- C164 H72 Cu4 F60 N16 O4 -","2","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.1212","0.0863","","","0.2182","0.2427","","","","","","1.013","","","","has coordinates,has disorder","242192","2020-10-21","18:00:00",""
"4132150","16.0453","0.0011","11.7131","0.0008","19.0503","0.0013","90","","93.4712","0.0017","90","","3573.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Sn2 -","- C76 H92 Sn2 -","- C152 H184 Sn4 -","2","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0491","0.0416","","","0.1021","0.1053","","","","","","1.105","","","","has coordinates,has disorder","242193","2020-10-21","18:00:00",""
"4132151","11.7763","0.0007","12.8319","0.0007","13.7749","0.0008","110.615","0.0008","101.716","0.0008","96.648","0.0008","1867.42","0.19","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C88 H104 Sn2 -","- C88 H104 Sn2 -","- C88 H104 Sn2 -","1","0.5","","Lai, Ting Yi; Fettinger, James C.; Power, Philip P.","Facile C-H Bond Metathesis Mediated by a Stannylene.","Journal of the American Chemical Society","2018","140","17","5674","5677","10.1021/jacs.8b01878","","","0.71073","MoKα","","0.0261","0.0235","","","0.0597","0.0608","","","","","","1.054","","","","has coordinates,has disorder","242194","2020-10-21","18:00:00",""
"4132152","6.4708","0.0001","20.0417","0.0004","7.2325","0.0002","90","","107.489","0.001","90","","894.6","0.03","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Zhang, Hai-Jun; Schuppe, Alexander W.; Pan, Shi-Tao; Chen, Jin-Xiang; Wang, Bo-Ran; Newhouse, Timothy R.; Yin, Liang","Copper-Catalyzed Vinylogous Aerobic Oxidation of Unsaturated Compounds with Air.","Journal of the American Chemical Society","2018","140","15","5300","5310","10.1021/jacs.8b01886","","","1.54178","CuKα","","0.039","0.0386","","","0.1089","0.1093","","","","","","1.066","","","","has coordinates","242195","2020-10-21","18:00:00",""
"4132153","7.235","0.0002","11.4719","0.0004","14.8725","0.0005","90","","95.298","0.002","90","","1229.13","0.07","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.054","0.0438","","","0.1055","0.114","","","","","","1.045","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132154","7.6302","0.0006","8.8519","0.0006","12.7508","0.0009","87.503","0.006","87.653","0.006","87.251","0.006","858.75","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0503","0.0397","","","0.0951","0.1023","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132155","7.6671","0.0006","8.3382","0.0006","23.4368","0.0018","90","","90","","90","","1498.3","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0383","0.0326","","","0.0789","0.0825","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132156","8.9536","0.0005","13.8303","0.0007","13.3248","0.0006","90","","94.6825","0.0016","90","","1644.52","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.049","0.0378","","","0.0915","0.0984","","","","","","1.029","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132157","11.5962","0.0005","14.1871","0.0007","21.2925","0.0009","90","","90","","90","","3503","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0562","0.0425","","","0.0997","0.1077","","","","","","1.062","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132158","7.6612","0.0004","20.3093","0.0009","10.7852","0.0005","90","","90.6667","0.0015","90","","1677.99","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0625","0.0419","","","0.0934","0.1013","","","","","","1.053","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132159","16.1951","0.0007","8.3508","0.0004","13.1442","0.0006","90","","102.437","0.001","90","","1735.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0491","0.0353","","","0.0849","0.0909","","","","","","1.034","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132160","25.0443","0.0007","6.8179","0.0002","10.1504","0.0003","90","","96.3846","0.0009","90","","1722.43","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NV472cr","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0353","0.0325","","","0.0772","0.0785","","","","","","1.057","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132161","4.2298","0.0002","19.7579","0.0011","12.2515","0.0006","90","","97.8156","0.0018","90","","1014.37","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","494a","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0389","0.0332","","","0.0775","0.0802","","","","","","1.044","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132162","7.6599","0.0002","8.342","0.0002","23.4353","0.0007","90","","90","","90","","1497.49","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv236-E1","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0459","0.0425","","","0.1106","0.1126","","","","","","1.131","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132163","7.661","0.0002","8.3423","0.0002","23.444","0.0005","90","","90","","90","","1498.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv237-e2","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0415","0.0388","","","0.1058","0.1071","","","","","","1.095","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132164","7.9677","0.0002","9.2454","0.0002","11.7448","0.0003","83.4692","0.0008","88.5722","0.0009","80.9664","0.0009","848.88","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","nv632cr","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C40 H46 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0567","0.0485","","","0.1284","0.1355","","","","","","1.07","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132165","13.4422","0.0004","11.6532","0.0004","15.2777","0.0005","90","","99.794","0.001","90","","2358.29","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nv629cr","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0696","0.0575","","","0.1539","0.1627","","","","","","1.072","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132166","8.2294","0.001","18.282","0.002","22.361","0.003","90","","90","","90","","3364.2","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","nv723","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0575","0.047","","","0.1224","0.1303","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132167","8.3263","0.0005","11.362","0.0007","12.3017","0.0006","69.648","0.002","83.394","0.002","70.16","0.002","1026.36","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl2 N O5 -","- C21 H27 Cl2 N O5 -","- C42 H54 Cl4 N2 O10 -","2","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0474","0.0403","","","0.1007","0.1053","","","","","","1.035","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132168","10.0419","0.0007","18.4401","0.001","12.5503","0.0007","90","","93.409","0.002","90","","2319.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NV1216AA","","","- C24 H32 N2 O8 -","- C24 H32 N2 O8 -","- C96 H128 N8 O32 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0475","0.0402","","","0.0983","0.1021","","","","","","1.052","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132169","9.706","0.002","25.862","0.007","11.622","0.003","90","","114.351","0.003","90","","2657.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O3 S -","- C28 H37 N3 O3 S -","- C112 H148 N12 O12 S4 -","4","1","","Han, Ting; Deng, Haiqin; Qiu, Zijie; Zhao, Zheng; Zhang, Haoke; Zou, Hang; Leung, Nelson L. C.; Shan, Guogang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Tang, Ben Zhong","Facile Multicomponent Polymerizations toward Unconventional Luminescent Polymers with Readily Openable Small Heterocycles.","Journal of the American Chemical Society","2018","140","16","5588","5598","10.1021/jacs.8b01991","","","0.71073","MoKα","","0.1089","0.0554","","","0.1097","0.1319","","","","","","1.014","","","","has coordinates,has disorder","242197","2020-10-21","18:00:00",""
"4132170","13.6351","0.0003","23.0852","0.0007","25.6213","0.0005","90","","90.584","0.002","90","","8064.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H103 Cl4 Co6 F6 N O2 P7 Se8 -","- C56.004 H103.008 Cl4.008 Co6 F6 N O2 P7 Se8 -","- C224.016 H412.032 Cl16.032 Co24 F24 N4 O8 P28 Se32 -","4","1","","Voevodin, Anastasia; Campos, Luis M.; Roy, Xavier","Multifunctional Vesicles from a Self-assembled Cluster-Containing Diblock Copolymer.","Journal of the American Chemical Society","2018","140","16","5607","5611","10.1021/jacs.8b02041","","x-ray","1.54184","CuKα","","0.0782","0.0566","","","0.1388","0.1525","","","","","","1.023","","","","has coordinates,has disorder","242198","2020-10-21","18:00:00",""
"4132171","8.9529","0.0011","24.098","0.003","20.991","0.002","90","","93.228","0.004","90","","4521.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O3 S -","- C25 H26 N2 O3 S -","- C200 H208 N16 O24 S8 -","8","2","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0998","0.0496","","","0.0996","0.1195","","","","","","1.008","","","","has coordinates,has disorder","242199","2020-10-21","18:00:00",""
"4132172","10.0696","0.0006","10.1472","0.0007","11.9906","0.0007","110.579","0.002","96.643","0.002","90.227","0.002","1137.98","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl N2 O3 Pd -","- C27 H24 Cl N2 O3 Pd -","- C54 H48 Cl2 N4 O6 Pd2 -","2","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","0.71073","MoKα","","0.0409","0.031","","","0.0605","0.0645","","","","","","1.03","","","","has coordinates,has disorder","242200","2020-10-21","18:00:00",""
"4132173","15.5251","0.0004","13.7858","0.0004","17.6487","0.0005","90","","112.346","0.001","90","","3493.62","0.17","100","","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cl N2 O Pd -","- C21 H18 Cl N2 O Pd -","- C168 H144 Cl8 N16 O8 Pd8 -","8","1","","Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.","C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.","Journal of the American Chemical Society","2018","140","17","5805","5813","10.1021/jacs.8b02124","","x-ray","1.54178","CuKα","","0.0462","0.0411","","","0.1022","0.1067","","","","","","1.047","","","","has coordinates","242201","2020-10-21","18:00:00",""
"4132174","13.48259","0.00006","14.45393","0.00006","16.01156","0.00009","90","","104.013","0.0005","90","","3027.42","0.03","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 F7 N2 O3 -","- C33 H33 F7 N2 O3 -","- C132 H132 F28 N8 O12 -","4","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0517","0.0511","","","0.127","0.1275","","","","","","1.048","","","","has coordinates,has disorder","242202","2020-10-21","18:00:00",""
"4132175","8.7749","0.0002","11.2077","0.0002","15.1378","0.0003","101.086","0.0017","91.8988","0.0018","98.755","0.0017","1440.95","0.05","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F7 N2 O4 -","- C31 H33 F7 N2 O4 -","- C62 H66 F14 N4 O8 -","2","1","","Cabrera, Pablo J.; Lee, Melissa; Sanford, Melanie S.","Second-Generation Palladium Catalyst System for Transannular C-H Functionalization of Azabicycloalkanes.","Journal of the American Chemical Society","2018","140","16","5599","5606","10.1021/jacs.8b02142","","","1.54184","CuKα","","0.0378","0.0362","","","0.0956","0.097","","","","","","1.017","","","","has coordinates","242203","2020-10-21","18:00:00",""
"4132176","7.4092","0.0007","10.2119","0.0009","22.525","0.002","90","","90","","90","","1704.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 O4 S -","- C18 H19 F N2 O4 S -","- C72 H76 F4 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0323","0.0309","","","0.0759","0.0767","","","","","","1.099","","","","has coordinates","242204","2020-10-21","18:00:00",""
"4132177","5.2733","0.0003","10.7709","0.0006","37.817","0.002","90","","90","","90","","2147.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F O6 S -","- C24 H21 F O6 S -","- C96 H84 F4 O24 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0749","0.0516","","","0.0858","0.0931","","","","","","1.082","","","","has coordinates,has disorder","242205","2020-10-21","18:00:00",""
"4132178","17.8047","0.0004","17.8047","0.0004","6.9972","0.0002","90","","90","","120","","1920.99","0.08","100","2","100","2","","","","","","","","6","P 62","P 62","171","","","","- C11 H12.5 F N O4.25 S -","- C11 H12.5 F N O4.25 S -","- C66 H75 F6 N6 O25.5 S6 -","6","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0341","0.0333","","","0.0898","0.0904","","","","","","1.072","","","","has coordinates,has disorder","242206","2020-10-21","18:00:00",""
"4132179","5.527","0.0004","8.6617","0.0006","36.032","0.003","90","","90","","90","","1725","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F N O4 S2 -","- C17 H18 F N O4 S2 -","- C68 H72 F4 N4 O16 S8 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0903","0.0682","","","0.1219","0.1288","","","","","","1.171","","","","has coordinates","242207","2020-10-21","18:00:00",""
"4132180","7.5617","0.0003","9.7752","0.0005","23.9131","0.001","90","","90","","90","","1767.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C68 H72 F8 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0369","0.0316","","","0.0731","0.0754","","","","","","1.057","","","","has coordinates","242208","2020-10-21","18:00:00",""
"4132181","13.7281","0.0005","7.7633","0.0003","15.1716","0.0005","90","","96.176","0.002","90","","1607.53","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H16 F2 N2 O4 S -","- C16 H16 F2 N2 O4 S -","- C64 H64 F8 N8 O16 S4 -","4","2","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","1.54178","CuKα","","0.0709","0.0635","","","0.1696","0.1736","","","","","","1.136","","","","has coordinates","242209","2020-10-21","18:00:00",""
"4132182","7.8163","0.0005","9.2956","0.0006","12.4965","0.0008","90","","98.9206","0.001","90","","896.98","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C34 H36 F4 N4 O8 S2 -","2","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0318","0.0301","","","0.0767","0.0778","","","","","","1.043","","","","has coordinates","242210","2020-10-21","18:00:00",""
"4132183","13.9615","0.0006","14.7481","0.0006","16.6133","0.0007","90","","103.869","0.0015","90","","3321","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 S3 -","- C39 H36 S3 -","- C156 H144 S12 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.04","0.0346","","","0.0849","0.0891","","","","","","1.049","","","","has coordinates","242211","2020-10-21","18:00:00",""
"4132184","16.549","0.003","9.9129","0.0017","22.008","0.005","90","","104.799","0.007","90","","3490.6","1.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 O -","- C44 H46 O -","- C176 H184 O4 -","4","1","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.0698","0.0527","","","0.1188","0.1275","","","","","","1.081","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132185","15.2838","0.001","15.2838","0.001","27.213","0.0019","90","","90","","120","","5505.2","0.6","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C66 H66 O3 -","- C66 H66 O3 -","- C264 H264 O12 -","4","0.333333","","Moneypenny, 2nd, Timothy P; Yang, Anna; Walter, Nathan P.; Woods, Toby J.; Gray, Danielle L.; Zhang, Yang; Moore, Jeffrey S.","Product Distribution from Precursor Bite Angle Variation in Multitopic Alkyne Metathesis: Evidence for a Putative Kinetic Bottleneck.","Journal of the American Chemical Society","2018","140","17","5825","5833","10.1021/jacs.8b02184","","","0.71073","MoKα","","0.1215","0.1176","","","0.2209","0.2227","","","","","","1.299","","","","has coordinates,has disorder","242211","2020-10-21","18:00:00",""
"4132186","15.7186","0.0003","15.7186","0.0003","29.22","0.0006","90","","90","","90","","7219.5","0.2","230","2","230","","","","","","","","","5","I 4/m","-I 4","87","","","","- C72 Cu3 N12 O36 Zr6 -","- C72 Cu3 N12 O36 Zr6 -","- C144 Cu6 N24 O72 Zr12 -","2","0.125","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0716","0.0688","","","0.2593","0.2618","","","","","","1.171","","","","has coordinates","242212","2020-10-21","18:00:00",""
"4132187","30.259","0.0005","30.259","0.0005","30.259","0.0005","90","","90","","90","","27705.4","0.8","230","2","230.01","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C7 H8 Cl0.81 Cu0.5 Hf0.5 N O2.67 -","- C7 H7 Cl0.81 Cu0.5 Hf0.5 N O2.66667 -","- C336 H336 Cl38.88 Cu24 Hf24 N48 O128 -","48","0.25","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0735","0.0689","","","0.2272","0.2333","","","","","","1.12","","","","has coordinates,has disorder","242213","2020-10-21","18:00:00",""
"4132188","16.0403","0.0007","16.0403","0.0007","16.0403","0.0007","90","","90","","90","","4127","0.3","230","2","230","","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C5 Cd0.12 Cl0.25 Dy0.25 F0.5 N0.5 O1.33 -","- C5 Cd0.125 Cl0.25 Dy0.25 F0.5 N0.5 O1.33333 -","- C120 Cd3 Cl6 Dy6 F12 N12 O32 -","24","0.5","","Muldoon, Patrick F.; Liu, Chong; Miller, Carson C.; Koby, S. Benjamin; Gamble Jarvi, Austin; Luo, Tian-Yi; Saxena, Sunil; O'Keeffe, Michael; Rosi, Nathaniel L.","Programmable Topology in New Families of Heterobimetallic Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","20","6194","6198","10.1021/jacs.8b02192","","","1.54178","CuKα","","0.0631","0.0615","","","0.2203","0.2268","","","","","","1.258","","","","has coordinates","242214","2020-10-21","18:00:00",""
"4132189","7.1329","0.0002","17.6817","0.0004","35.8965","0.0008","90","","90","","90","","4527.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O11 -","- C36 H40 N2 O11 -","- C144 H160 N8 O44 -","4","1","","Mandler, Michael D.; Baidin, Vadim; Lee, James; Pahil, Karanbir S.; Owens, Tristan W.; Kahne, Daniel","Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport.","Journal of the American Chemical Society","2018","140","22","6749","6753","10.1021/jacs.8b02283","","","1.54178","CuKα","","0.0801","0.0757","","","0.2141","0.219","","","","","","1.084","","","","has coordinates","242215","2020-10-21","18:00:00",""
"4132190","12.685","0.004","14.502","0.004","22.983","0.007","90","","99.043","0.012","90","","4175","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ppip3","","","- C43 H62 Cl2 N5 P Ru -","- C43 H62 Cl2 N5 P Ru -","- C172 H248 Cl8 N20 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.14","0.082","","","0.1464","0.1609","","","","","","1.165","","","","has coordinates,has disorder","242216","2020-10-21","18:00:00",""
"4132191","12.582","0.004","14.694","0.004","26.929","0.009","90","","102.711","0.009","90","","4857","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CyPpip2","","","- C50 H76 Cl2 N4 O1.5 P Ru -","- C50 H76 Cl2 N4 O1.5 P Ru -","- C200 H304 Cl8 N16 O6 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1013","0.0645","","","0.1465","0.1643","","","","","","1.038","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132192","12.5478","0.0005","14.1495","0.0006","26.7547","0.0011","90","","92.828","0.002","90","","4744.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Cy2Ppip","","","- C50 H72 Cl2 N3 O0.5 P Ru -","- C50 H72 Cl2 N3 O0.5 P Ru -","- C200 H288 Cl8 N12 O2 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.0959","0.0561","","","0.1214","0.1363","","","","","","1.072","","","","has coordinates","264242","2021-04-16","08:52:17",""
"4132193","12.1351","0.0009","14.8021","0.001","22.944","0.002","90","","98.642","0.003","90","","4074.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cy2Ppyrr","","","- C44 H58 Cl2 N3 P Ru -","- C44 H58 Cl2 N3 P Ru -","- C176 H232 Cl8 N12 P4 Ru4 -","4","1","","Chu, Crystal K.; Lin, Tzu-Pin; Shao, Huiling; Liberman-Martin, Allegra L; Liu, Peng; Grubbs, Robert H.","Disentangling Ligand Effects on Metathesis Catalyst Activity: Experimental and Computational Studies of Ruthenium-Aminophosphine Complexes.","Journal of the American Chemical Society","2018","140","16","5634","5643","10.1021/jacs.8b02324","","","0.71073","MoKα","","0.1239","0.0641","","","0.1225","0.1426","","","","","","1.075","","","","has coordinates","242219","2020-10-21","18:00:00",""
"4132194","15.9701","0.0005","19.026","0.0007","25.333","0.0007","75.796","0.003","78.814","0.002","72.466","0.003","7055.1","0.4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C174 H100 Cl0 N2 O0 -","- C174 H100 N2 -","- C348 H200 N4 -","2","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.1714","0.1039","","","0.2482","0.2709","","","","","","1.064","","","","has coordinates,has disorder","242220","2020-10-21","18:00:00",""
"4132195","13.0834","0.0003","38.2825","0.0007","26.7591","0.0006","90","","102.678","0.002","90","","13075.9","0.5","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C205 H124 N2 -","- C205 H124 N2 -","- C820 H496 N8 -","4","1","","Takeda, Motoki; Hiroto, Satoru; Yokoi, Hiroki; Lee, Sangsu; Kim, Dongho; Shinokubo, Hiroshi","Azabuckybowl-Based Molecular Tweezers as C<sub>60</sub> and C<sub>70</sub> Receptors.","Journal of the American Chemical Society","2018","140","20","6336","6342","10.1021/jacs.8b02327","","","0.71073","MoKα","","0.161","0.1082","","","0.2875","0.3416","","","","","","1.03","","","","has coordinates,has disorder","242221","2020-10-21","18:00:00",""
"4132196","9.62577","0.00003","14.4848","0.00007","18.2568","0.00007","90","","90","","90","","2545.5","0.018","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 S -","- C31 H25 N O3 S -","- C124 H100 N4 O12 S4 -","4","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","x-ray","1.54184","CuKα","","0.0251","0.025","","","0.0698","0.0699","","","","","","1.066","","","","has coordinates","242222","2020-10-21","18:00:00",""
"4132197","5.264","0.0011","20.199","0.004","11.328","0.002","90","","99.87","0.03","90","","1186.7","0.4","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","","0.71073","MoKα","","0.064","0.0628","","","0.1678","0.1693","","","","","","1.057","","","","has coordinates","242223","2020-10-21","18:00:00",""
"4132198","9.454","0.0005","10.1497","0.0005","15.3519","0.0008","75.573","0.004","86.417","0.004","89.725","0.004","1423.77","0.13","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C72 H48 N4 O4 -","2","1","","He, Xuewen; Zhao, Zheng; Xiong, Ling-Hong; Gao, Peng Fei; Peng, Chen; Li, Rong Sheng; Xiong, Yu; Li, Zhi; Sung, Herman H.-Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Huang, Cheng Zhi; Ma, Nan; Tang, Ben Zhong","Redox-Active AIEgen-Derived Plasmonic and Fluorescent Core@Shell Nanoparticles for Multimodality Bioimaging.","Journal of the American Chemical Society","2018","140","22","6904","6911","10.1021/jacs.8b02350","","x-ray","1.54184","CuKα","","0.0435","0.0376","","","0.0978","0.102","","","","","","1.004","","","","has coordinates","242224","2020-10-21","18:00:00",""
"4132199","14.0173","0.0015","15.6044","0.0015","21.793","0.002","81.23","0.002","83.509","0.002","81.202","0.002","4636","0.8","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C83.9936 H67.9952 Al2 F47.9904 N4 O8 -","- C167.987 H135.99 Al4 F95.9808 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.0902","0.0489","","","0.1141","0.1346","","","","","","0.978","","","","has coordinates,has disorder","242225","2020-10-21","18:00:00",""
"4132200","14.1081","0.001","15.6055","0.0011","21.8291","0.0015","81.4403","0.0016","83.4804","0.0017","81.0841","0.0018","4674.8","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H68 Al2 F48 N4 O8 -","- C84 H68 Al2 F48 N4 O8 -","- C168 H136 Al4 F96 N8 O16 -","2","1","","Wang, Wenqing; Chen, Chao; Shu, Chan; Rajca, Suchada; Wang, Xinping; Rajca, Andrzej","S = 1 Tetraazacyclophane Diradical Dication with Robust Stability: A Case of Low-Temperature One-Dimensional Antiferromagnetic Chain.","Journal of the American Chemical Society","2018","140","25","7820","7826","10.1021/jacs.8b02415","","","0.71073","MoKα","","0.062","0.0437","","","0.1169","0.1295","","","","","","1.064","","","","has coordinates,has disorder","242227","2020-10-21","18:00:00",""
"4132201","10.6293","0.0006","19.9421","0.0011","13.7025","0.0008","90","","99.2721","0.0007","90","","2866.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 F7 Ir N4 -","- C33 H24 F7 Ir N4 -","- C132 H96 F28 Ir4 N16 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0208","0.0197","","","0.0466","0.0471","","","","","","1.09","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132202","11.392","0.007","21.133","0.014","13.834","0.009","90","","94.876","0.008","90","","3318","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F4 Ir N5 O2 -","- C33 H26 F4 Ir N5 O2 -","- C132 H104 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0306","0.0272","","","0.0593","0.0606","","","","","","1.117","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132203","16.7013","0.0009","11.2843","0.0006","18.1118","0.001","90","","113.543","0.0007","90","","3129.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F4 Ir N5 O2 -","- C35 H30 F4 Ir N5 O2 -","- C140 H120 F16 Ir4 N20 O8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.0288","0.0229","","","0.0569","0.0678","","","","","","1.156","","","","has coordinates","242228","2020-10-21","18:00:00",""
"4132204","23.9379","0.001","11.9202","0.0005","15.6551","0.0012","90","","130.05","","90","","3419.5","0.3","123","2","123","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C36 H27.5 Cl2.5 Ir N5 O2 S2 -","- C144 H110 Cl10 Ir4 N20 O8 S8 -","4","1","","Na, Hanah; Teets, Thomas S.","Highly Luminescent Cyclometalated Iridium Complexes Generated by Nucleophilic Addition to Coordinated Isocyanides.","Journal of the American Chemical Society","2018","140","20","6353","6360","10.1021/jacs.8b02416","","","0.71073","MoKα","","0.021","0.019","","","0.0407","0.0413","","","","","","0.923","","","","has coordinates,has disorder","242228","2020-10-21","18:00:00",""
"4132205","10.98","0.0015","14.58","0.0019","15.9","0.002","94.5","0.0019","99.7","0.0015","102.6","0.002","2431","0.6","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H32 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","- C74 H28 Cl32 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0941","0.0745","","","0.2112","0.279","","","","","","1.161","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132206","11.044","0.005","14.043","0.007","16.207","0.007","95.936","0.004","99.486","0.005","109.482","0.006","2303.1","1.8","112","","112","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","- C70 H18 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1188","0.1057","","","0.2753","0.2951","","","","","","1.047","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132207","11.002","0.003","14.584","0.004","15.965","0.005","95.065","0.004","99.399","0.003","103.745","0.005","2433.2","1.2","116","","116","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H28 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","- C72 H26 Cl28 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.0845","0.0768","","","0.2139","0.2237","","","","","","1.039","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132208","11.008","0.004","13.982","0.006","16.198","0.006","96.129","0.004","99.372","0.006","109.695","0.007","2280.6","1.5","103","","103","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H24 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","- C70 H14 Cl24 N4 O16 Ru4 -","1","0.5","","Zhang, Jun; Kosaka, Wataru; Sugimoto, Kunihisa; Miyasaka, Hitoshi","Magnetic Sponge Behavior via Electronic State Modulations.","Journal of the American Chemical Society","2018","140","16","5644","5652","10.1021/jacs.8b02428","","","0.71075","MoKα","","0.1018","0.0749","","","0.1966","0.2307","","","","","","1.078","","","","has coordinates","242229","2020-10-21","18:00:00",""
"4132209","7.467","0.007","9.997","0.009","11.538","0.011","80.37","0.03","85.46","0.04","71.51","0.03","805","1.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O8 -","- C15 H13 N3 O8 -","- C30 H26 N6 O16 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0756","0.0625","","","0.1633","0.1873","","","","","","1.102","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132210","8.209","0.005","11.582","0.006","15.675","0.008","90","","100.525","0.004","90","","1465.3","1.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0432","0.041","","","0.1195","0.1226","","","","","","1.13","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132211","6.471","0.004","17.119","0.011","13.9","0.009","90","","98.322","0.008","90","","1523.6","1.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O7 -","- C15 H13 N3 O7 -","- C60 H52 N12 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0568","0.0528","","","0.1542","0.1671","","","","","","1.124","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132212","7.806","0.007","10.767","0.009","17.948","0.015","80.47","0.02","86.02","0.03","78.432","0.018","1456","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1146","0.083","","","0.2086","0.2511","","","","","","1.115","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132213","7.3427","0.0019","16.733","0.004","11.153","0.003","90","","97.192","0.014","90","","1359.5","0.6","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0904","0.0793","","","0.1989","0.2116","","","","","","1.18","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132214","3.821","0.003","33.53","0.03","11.226","0.01","90","","98.496","0.011","90","","1422","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1194","0.0835","","","0.2281","0.2656","","","","","","1.16","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132215","7.55","0.008","16.276","0.016","11.939","0.012","90","","98.124","0.014","90","","1452","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0738","0.0637","","","0.1711","0.1857","","","","","","1.134","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132216","5.341","0.006","31.98","0.03","8.406","0.009","90","","93.563","0.013","90","","1433","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 -","- C15 H12 N2 O4 -","- C60 H48 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.116","0.0937","","","0.2671","0.2944","","","","","","1.103","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132217","7.033","0.004","8.877","0.005","27.155","0.016","90","","91.544","0.007","90","","1694.7","1.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O10 -","- C14 H12 N4 O10 -","- C56 H48 N16 O40 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0717","0.0555","","","0.1482","0.1599","","","","","","1.107","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132218","3.832","0.004","30.51","0.03","11.789","0.011","90","","90.809","0.009","90","","1378","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl N2 O3 -","- C15 H11 Cl N2 O3 -","- C60 H44 Cl4 N8 O12 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0925","0.0759","","","0.208","0.231","","","","","","1.255","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132219","23.138","0.018","9.93","0.008","9.613","0.007","90","","95.908","0.01","90","","2197","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1013","0.0781","","","0.1941","0.2199","","","","","","1.186","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132220","6.315","0.008","7.061","0.007","15.048","0.017","85.167","0.013","83.67","0.04","81.671","0.016","658.3","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H18 N O4 -","- C15 H18 N O4 -","- C30 H36 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0627","0.0532","","","0.1494","0.1583","","","","","","1.077","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132221","3.936","0.005","15.88","0.02","20.64","0.03","90","","90.518","0.011","90","","1290","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1024","0.0736","","","0.191","0.2298","","","","","","1.146","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4132222","3.909","0.007","13.08","0.02","13.52","0.02","105.33","0.03","90.581","0.016","92.2","0.03","666","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.098","0.0802","","","0.2293","0.256","","","","","","1.132","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132223","7.35","0.009","20.77","0.02","9.208","0.011","90","","106.107","0.014","90","","1351","3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1026","0.0751","","","0.1738","0.1984","","","","","","1.173","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132224","7.125","0.006","8.363","0.006","25.54","0.02","90","","97.922","0.011","90","","1507","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C56 H44 N12 O32 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0633","0.0562","","","0.1593","0.1699","","","","","","1.148","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132225","6.358","0.004","6.932","0.005","14.993","0.011","87.16","0.02","83.62","0.02","81.62","0.02","649.3","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O4 -","- C14 H12 Cl N O4 -","- C28 H24 Cl2 N2 O8 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0674","0.0544","","","0.1523","0.2099","","","","","","1.247","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132226","6.451","0.004","6.728","0.005","15.3","0.01","88.57","0.02","84.457","0.018","82.348","0.019","655","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C28 H24 N4 O12 -","2","1","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0455","0.0407","","","0.119","0.1308","","","","","","1.096","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132227","13.7006","0.0006","14.0075","0.0005","16.8978","0.0012","90","","115.615","0.004","90","","2924.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O8 -","- C14 H11 N3 O8 -","- C112 H88 N24 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.0675","0.0478","","","0.1195","0.1346","","","","","","1.029","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132228","7.075","0.005","16.73","0.01","27.134","0.017","90","","95.336","0.006","90","","3198","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O8 -","- C14 H14 N4 O8 -","- C112 H112 N32 O64 -","8","2","","Saha, Subhankar; Desiraju, Gautam R.","Acid···Amide Supramolecular Synthon in Cocrystals: From Spectroscopic Detection to Property Engineering.","Journal of the American Chemical Society","2018","140","20","6361","6373","10.1021/jacs.8b02435","","","0.71073","MoKα","","0.1049","0.0826","","","0.1976","0.2137","","","","","","1.168","","","","has coordinates","242230","2020-10-21","18:00:00",""
"4132229","12.5436","0.0006","12.6964","0.0006","23.2297","0.0011","101.867","0.002","90.763","0.002","100.14","0.002","3559.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H125 As3 Ga2 N4 -","- C68 H97 As3 Ga2 N4 -","- C136 H194 As6 Ga4 N8 -","2","1","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0418","0.0318","","","0.0812","0.0859","","","","","","1.037","","","","has coordinates","242231","2020-10-21","18:00:00",""
"4132230","11.8364","0.0005","18.1069","0.0008","18.3359","0.0008","87.481","0.002","81.731","0.002","73.919","0.002","3736.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H56 As Ga N2 -","- C39 H56 As Ga N2 -","- C156 H224 As4 Ga4 N8 -","4","2","","Helling, Christoph; Wölper, Christoph; Schulz, Stephan","Synthesis of a Gallaarsene {HC[C(Me)N-2,6- i-Pr<sub>2</sub>-C<sub>6</sub>H<sub>3</sub>]<sub>2</sub>}GaAsCp* Containing a Ga═As Double Bond.","Journal of the American Chemical Society","2018","140","15","5053","5056","10.1021/jacs.8b02447","","","0.71073","MoKα","","0.0473","0.0324","","","0.0754","0.0822","","","","","","1.028","","","","has coordinates,has disorder","242231","2020-10-21","18:00:00",""
"4132231","11.47072","0.00018","9.95859","0.00017","33.1143","0.0006","90","","96.5187","0.0016","90","","3758.26","0.11","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 F3 N2 O3 -","- C20 H19 F3 N2 O3 -","- C160 H152 F24 N16 O24 -","8","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","1.54184","CuKα","","0.0751","0.0699","","","0.192","0.1972","","","","","","1.046","","","","has coordinates","242232","2020-10-21","18:00:00",""
"4132232","8.6341","0.0004","15.3202","0.0005","12.6571","0.0006","90","","104.38","0.004","90","","1621.78","0.12","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N3 O2 -","- C17 H14 F3 N3 O2 -","- C68 H56 F12 N12 O8 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0925","0.0629","","","0.1551","0.179","","","","","","1.033","","","","has coordinates,has disorder","242233","2020-10-21","18:00:00",""
"4132233","10.0804","0.0004","20.9776","0.0008","12.4916","0.0004","90","","98.816","0.003","90","","2610.3","0.17","143.1","0.2","143.1","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 O9 -","- C30 H22 N2 O9 -","- C120 H88 N8 O36 -","4","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0776","0.0495","","","0.1057","0.1245","","","","","","1.019","","","","has coordinates","242234","2020-10-21","18:00:00",""
"4132234","7.4972","0.0006","10.1381","0.0009","11.0921","0.0009","71.133","0.008","70.386","0.008","78.79","0.007","748","0.12","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 F3 N2 O3 -","- C16 H11 F3 N2 O3 -","- C32 H22 F6 N4 O6 -","2","1","","Zhang, Linmeng; Zhang, Xiaocui; Yao, Zhuojun; Jiang, Shichao; Deng, Jiajie; Li, Bo; Yu, Zhipeng","Discovery of Fluorogenic Diarylsydnone-Alkene Photoligation: Conversion of ortho-Dual-Twisted Diarylsydnones into Planar Pyrazolines.","Journal of the American Chemical Society","2018","140","24","7390","7394","10.1021/jacs.8b02493","","x-ray","0.71073","MoKα","","0.0865","0.0517","","","0.1212","0.1446","","","","","","1.021","","","","has coordinates","242235","2020-10-21","18:00:00",""
"4132235","23.631","0.002","13.8788","0.0013","18.5349","0.0018","90","","90","","90","","6078.9","1","230","2","230","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C59 H91 Cu3 K N6 O3.5 Se -","- C59 H91 Cu3 K N6 O3.5 Se -","- C236 H364 Cu12 K4 N24 O14 Se4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.1421","0.0618","","","0.1324","0.1652","","","","","","0.995","","","","has coordinates,has disorder","242236","2020-10-21","18:00:00",""
"4132236","23.4096","0.0015","13.726","0.0009","18.4332","0.0012","90","","90","","90","","5923","0.7","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C61 H95 Cu3 K N6 O4 S -","- C61 H95 Cu3 K N6 O4 S -","- C244 H380 Cu12 K4 N24 O16 S4 -","4","1","","Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J.","Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates.","Journal of the American Chemical Society","2018","140","17","5696","5700","10.1021/jacs.8b02508","","","0.71073","MoKα","","0.0328","0.0248","","","0.0506","0.0522","","","","","","0.947","","","","has coordinates","242237","2020-10-21","18:00:00",""
"4132237","5.6776","0.0002","14.2324","0.0005","19.406","0.0007","90","","90","","90","","1568.12","0.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O7 -","- C16 H15 Br O7 -","- C64 H60 Br4 O28 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0253","0.0236","","","0.0547","0.0553","","","","","","1.061","","","","has coordinates","242238","2020-10-21","18:00:00",""
"4132238","12.8266","0.0006","13.9034","0.0007","16.8142","0.0008","90","","101.097","0.002","90","","2942.5","0.2","100","","99.89","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O14.05 -","- C32 H30 O14.049 -","- C128 H120 O56.196 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0372","0.0361","","","0.0957","0.0967","","","","","","1.027","","","","has coordinates","242239","2020-10-21","18:00:00",""
"4132239","19.3814","0.0003","16.8448","0.0003","21.1946","0.0003","90","","90","","90","","6919.52","0.19","110","2","110","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H44 Si6 -","- C32 H44 Si6 -","- C256 H352 Si48 -","8","1","","Marro, Eric A.; Press, Eric M.; Siegler, Maxime A.; Klausen, Rebekka S.","Directional Building Blocks Determine Linear and Cyclic Silicon Architectures.","Journal of the American Chemical Society","2018","140","18","5976","5986","10.1021/jacs.8b02541","","","0.71073","MoKα","","0.0382","0.0302","","","0.0742","0.0787","","","","","","1.075","","","","has coordinates","242240","2020-10-21","18:00:00",""
"4132240","7.7684","0.0002","10.9017","0.0003","21.8627","0.0006","90","","90","","90","","1851.53","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-Catalyzed Highly Regioselective Hydrocyanation of Terminal Alkynes with Zn(CN)<sub>2</sub> Using Water as the Hydrogen Source.","Journal of the American Chemical Society","2018","140","24","7385","7389","10.1021/jacs.8b02542","","","1.54178","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.072","","","","has coordinates","242241","2020-10-21","18:00:00",""
"4132241","8.57436","0.00015","6.43605","0.00018","13.5714","0.0003","90","","97.6815","0.0017","90","","742.22","0.03","294","2","294.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C36 H36 N4 -","2","1","","Wang, Yin-Xia; Qi, Shao-Long; Luan, Yu-Xin; Han, Xing-Wang; Wang, Shan; Chen, Hao; Ye, Mengchun","Enantioselective Ni-Al Bimetallic Catalyzed exo-Selective C-H Cyclization of Imidazoles with Alkenes.","Journal of the American Chemical Society","2018","140","16","5360","5364","10.1021/jacs.8b02547","","x-ray","1.54184","CuKα","","0.0449","0.0445","","","0.131","0.1316","","","","","","1.077","","","","has coordinates","242242","2020-10-21","18:00:00",""
"4132242","10.8999","0.0009","5.6054","0.0005","13.3076","0.0011","90","","91.6866","0.0014","90","","812.72","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N -","- C19 H24 Cl N -","- C38 H48 Cl2 N2 -","2","1","","Gribble, Jr, Michael W; Guo, Sheng; Buchwald, Stephen L.","Asymmetric Cu-Catalyzed 1,4-Dearomatization of Pyridines and Pyridazines without Preactivation of the Heterocycle or Nucleophile.","Journal of the American Chemical Society","2018","140","15","5057","5060","10.1021/jacs.8b02568","","","0.71073","MoKα","","0.031","0.0291","","","0.0727","0.0741","","","","","","1.039","","","","has coordinates","242243","2020-10-21","18:00:00",""
"4132243","20.071","0.0009","17.5234","0.0008","21.7136","0.0009","90","","106.65","0.002","90","","7316.7","0.6","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H98 Fe2 N2 O P4 S2 Si2 -","- C76 H97.662 Fe2 N2 O P4 S2 Si2 -","- C304 H390.648 Fe8 N8 O4 P16 S8 Si8 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0559","0.0378","","","0.0776","0.0847","","","","","","1.037","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132244","19.3145","0.0016","13.0291","0.0011","35.412","0.003","90","","90","","90","","8911.4","1.3","100","2","100.03","","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C43.83 H62.62 Fe Li N2 O2 P2 S Si -","- C43.834 H62.623 Fe Li N2 O2 P2 S Si -","- C350.672 H500.984 Fe8 Li8 N16 O16 P16 S8 Si8 -","8","2","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0628","0.052","","","0.1236","0.1284","","","","","","1.088","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132245","12.739","0.003","19.956","0.004","21.496","0.004","90","","105.629","0.003","90","","5262.7","1.9","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51.96 H75.25 Fe Li N2 O6 P2 S Si -","- C51.952 H75.251 Fe Li N2 O6.01 P2 S Si -","- C207.808 H301.004 Fe4 Li4 N8 O24.04 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.1343","0.0943","","","0.2187","0.249","","","","","","1.138","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132246","15.8933","0.0007","12.1269","0.0005","17.6931","0.0007","90","","91.91","0.002","90","","3408.2","0.2","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Fe N2 P2 S Si -","- C36 H45 Fe N2 P2 S Si -","- C144 H180 Fe4 N8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","1.54178","CuKα","","0.0595","0.0442","","","0.0917","0.0981","","","","","","1.044","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132247","14.404","0.0017","20.067","0.002","21.317","0.003","90","","109.234","0.004","90","","5817.6","1.2","100","2","99.98","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C56.55 H86.19 Fe N2 Na O8.45 P2 S Si -","- C56.55 H86.2 Fe N2 Na O8.45 P2 S Si -","- C226.2 H344.8 Fe4 N8 Na4 O33.8 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.0866","0.0621","","","0.1482","0.1602","","","","","","1.069","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132248","10.1224","0.0009","16.4372","0.0014","21.1981","0.0018","90","","99.32","0.003","90","","3480.5","0.5","100","2","100.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Fe N P2 S Si -","- C38 H47 Fe N P2 S Si -","- C152 H188 Fe4 N4 P8 S4 Si4 -","4","1","","Gu, Nina X.; Oyala, Paul H.; Peters, Jonas C.","An S = <sup>1</sup>/<sub>2</sub> Iron Complex Featuring N<sub>2</sub>, Thiolate, and Hydride Ligands: Reductive Elimination of H<sub>2</sub> and Relevant Thermochemical Fe-H Parameters.","Journal of the American Chemical Society","2018","140","20","6374","6382","10.1021/jacs.8b02603","","","0.71073","MoKα","","0.05","0.0334","","","0.0798","0.0906","","","","","","1.074","","","","has coordinates,has disorder","242244","2020-10-21","18:00:00",""
"4132249","6.1297","0.0018","12.781","0.004","14.79","0.005","90","","90","","90","","1158.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl I O -","- C11 H12 Cl I O -","- C44 H48 Cl4 I4 O4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0145","","","0.0343","0.0345","","","","","","1.011","","","","has coordinates","242245","2020-10-21","18:00:00",""
"4132250","11.5142","0.0017","13.629","0.002","33.558","0.005","90","","90","","90","","5266.2","1.3","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H50 I2 N O3 P Si2 -","- C64 H50 I2 N O3 P Si2 -","- C256 H200 I8 N4 O12 P4 Si8 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0938","0.0672","","","0.162","0.1899","","","","","","1.069","","","","has coordinates","242246","2020-10-21","18:00:00",""
"4132251","12.371","0.003","9.374","0.002","15.26","0.004","90","","95.279","0.005","90","","1762.1","0.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br I P S -","- C18 H15 Br I P S -","- C72 H60 Br4 I4 P4 S4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0663","0.0602","","","0.1453","0.1482","","","","","","1.029","","","","has coordinates","242247","2020-10-21","18:00:00",""
"4132252","10.815","0.002","9.2369","0.0016","25.431","0.005","90","","101.749","0.003","90","","2487.3","0.8","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H50 N O3 P Si2 -","- C64 H50 N O3 P Si2 -","- C128 H100 N2 O6 P2 Si4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0363","0.0325","","","0.0825","0.0871","","","","","","1.018","","","","has coordinates","242248","2020-10-21","18:00:00",""
"4132253","9.079","0.003","12.14","0.005","14.018","0.005","78.003","0.016","77.069","0.015","81.756","0.018","1465.4","0.9","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","- C74 H64 N O3 P Si2 -","1","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0524","0.0429","","","0.0978","0.1006","","","","","","0.998","","","","has coordinates","242249","2020-10-21","18:00:00",""
"4132254","8.848","0.0019","9.559","0.002","12.435","0.003","84.477","0.011","74.428","0.008","81.055","0.01","999.2","0.4","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 I3 P S -","- C18 H15 I3 P S -","- C36 H30 I6 P2 S2 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0698","0.0673","","","0.1826","0.1846","","","","","","1.049","","","","has coordinates","242250","2020-10-21","18:00:00",""
"4132255","9.059","0.003","9.733","0.003","10.77","0.003","90","","102.591","0.006","90","","926.8","0.5","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 I O2 -","- C21 H25 I O2 -","- C42 H50 I2 O4 -","2","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0152","","","0.0407","0.0408","","","","","","1.097","","","","has coordinates","242251","2020-10-21","18:00:00",""
"4132256","12.867","0.006","13.018","0.006","13.291","0.006","95.741","0.011","116.713","0.011","104.68","0.011","1863.8","1.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C82 H104 O12 -","- C82 H104 O12 -","- C82 H104 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1421","0.0914","","","0.2494","0.2834","","","","","","1.056","","","","has coordinates","242252","2020-10-21","18:00:00",""
"4132257","11.1","0.02","12.196","0.019","14.06","0.03","93.34","0.17","94.55","0.18","102.22","0.16","1849","6","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C74 H94 O12 -","1","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.3027","0.1173","","","0.1553","0.1781","","","","","","2.087","","","","has coordinates,has disorder","242253","2020-10-21","18:00:00",""
"4132258","24.6748","0.0018","12.5778","0.0009","26.133","0.003","90","","116.649","0.0018","90","","7248.9","1.1","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C296 H376 O48 -","4","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.1188","0.0792","","","0.2159","0.2479","","","","","","1.047","","","","has coordinates,has disorder","242254","2020-10-21","18:00:00",""
"4132259","11.5241","0.0009","12.903","0.0011","22.5069","0.0019","90","","91.752","0.002","90","","3345.1","0.5","240","","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H94 O12 -","- C74 H94 O12 -","- C148 H188 O24 -","2","0.5","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0774","0.0528","","","0.1329","0.1563","","","","","","1.012","","","","has coordinates,has disorder","242255","2020-10-21","18:00:00",""
"4132260","12.6553","0.0009","14.9068","0.001","15.8129","0.0012","102.503","0.002","108.766","0.002","108.108","0.002","2513.2","0.3","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C55 H70 O10 -","- C55 H70 O10 -","- C110 H140 O20 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0868","0.0635","","","0.17","0.1966","","","","","","1.028","","","","has coordinates,has disorder","242256","2020-10-21","18:00:00",""
"4132261","11.0743","0.0004","12.6665","0.0004","23.3275","0.0006","86.472","0.003","82.616","0.003","71.064","0.003","3068.77","0.18","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H84 O12 -","- C66 H84 O12 -","- C132 H168 O24 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.6889","Synchrotron","","0.1116","0.061","","","0.1317","0.1479","","","","","","0.752","","","","has coordinates,has disorder","242257","2020-10-21","18:00:00",""
"4132262","12.6961","0.001","20.7685","0.0018","21.3724","0.0018","82.538","0.002","89.865","0.002","89.331","0.002","5587.3","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H80 O10 -","- C63 H80 O10 -","- C252 H320 O40 -","4","2","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0715","0.051","","","0.1198","0.1311","","","","","","1.017","","","","has coordinates,has disorder","242258","2020-10-21","18:00:00",""
"4132263","14.0646","0.0013","21.414","0.002","21.8397","0.0019","76.973","0.002","84.468","0.002","84.137","0.002","6356.6","1","240","","240","","","","","","","","","3","P -1","-P 1","2","","","","- C137.88 H174.85 O20 -","- C137.896 H174.87 O20 -","- C275.792 H349.74 O40 -","2","1","","Jie, Kecheng; Liu, Ming; Zhou, Yujuan; Little, Marc A.; Pulido, Angeles; Chong, Samantha Y.; Stephenson, Andrew; Hughes, Ashlea R.; Sakakibara, Fumiyasu; Ogoshi, Tomoki; Blanc, Frédéric; Day, Graeme M.; Huang, Feihe; Cooper, Andrew I.","Near-Ideal Xylene Selectivity in Adaptive Molecular Pillar[ n]arene Crystals.","Journal of the American Chemical Society","2018","140","22","6921","6930","10.1021/jacs.8b02621","","x-ray","0.71073","MoKα","","0.0901","0.0525","","","0.1314","0.1562","","","","","","1.009","","","","has coordinates,has disorder","242259","2020-10-21","18:00:00",""
"4132264","11.3308","0.0002","11.3308","0.0002","34.3551","0.0008","90","","90","","120","","3819.82","0.13","100","","100","","","","","","","","","3","P 61","P 61","169","","","","- C27 H40 O7 -","- C27 H40 O7 -","- C162 H240 O42 -","6","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","x-ray","1.54178","CuKα","","0.0371","0.0353","","","0.0854","0.0867","","","","","","1.052","","","","has coordinates","242260","2020-10-21","18:00:00",""
"4132265","6.4359","0.0002","25.5852","0.0006","7.0724","0.0002","90","","107.905","0.0012","90","","1108.17","0.05","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C48 H76 O10 -","2","1","","Liu, Junyang; Wu, Jianlei; Fan, Jian-Hong; Yan, Xin; Mei, Guangjian; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","16","5365","5369","10.1021/jacs.8b02629","","","0.71073","MoKα","","0.0395","0.0369","","","0.1041","0.1106","","","","","","1.063","","","","has coordinates","242261","2020-10-21","18:00:00",""
"4132266","14.5894","0.0002","14.6248","0.0002","29.1828","0.0004","100.657","0.001","101.01","0.001","90.253","0.001","6001.52","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N4 O8 S4 Zn2 -","- C42 H28 N4 O8 S4 Zn2 -","- C168 H112 N16 O32 S16 Zn8 -","4","2","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.1305","0.1263","","","0.2081","0.21","","","","","","1.258","","","","has coordinates","242262","2020-10-21","18:00:00",""
"4132267","10.469","0.0005","11.9902","0.0005","12.8629","0.0006","111.386","0.004","96.819","0.004","98.464","0.004","1460.78","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H31 N5 O S2 -","- C33 H31 N5 O S2 -","- C66 H62 N10 O2 S4 -","2","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54178","CuKα","","0.0717","0.0635","","","0.167","0.1733","","","","","","1.032","","","","has coordinates","242263","2020-10-21","18:00:00",""
"4132268","25.7763","0.0003","18.3697","0.0003","15.7324","0.0002","90","","90","","90","","7449.34","0.18","150","2","150","2","","","","","","","","6","P c c 2","P 2 -2c","27","","","","- C64 H32 N8 O8 S6 Zn2 -","- C64 H32 N8 O8 S6 Zn2 -","- C256 H128 N32 O32 S24 Zn8 -","4","1","","Hua, Carol; Doheny, Patrick W.; Ding, Bowen; Chan, Bun; Yu, Michelle; Kepert, Cameron J.; D'Alessandro, Deanna M","Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","21","6622","6630","10.1021/jacs.8b02638","","","1.54184","CuKα","","0.0624","0.0597","","","0.1624","0.1648","","","","","","1.037","","","","has coordinates,has disorder","242264","2020-10-21","18:00:00",""
"4132269","33.435","0.007","18.32","0.004","24.428","0.005","90","","90","","90","","14963","5","143","","143","","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C98 H88 N8 -","- C98 H88 N8 -","- C784 H704 N64 -","8","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0893","0.0668","","","0.1561","0.1703","","","","","","1.074","","","","has coordinates","242265","2020-10-21","18:00:00",""
"4132270","31.014","0.009","15.951","0.004","15.969","0.004","90","","103.327","0.005","90","","7687","4","143","","143","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C94 H80 Cl4 N8 -","- C94 H80 Cl4 N8 -","- C376 H320 Cl16 N32 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1258","0.1012","","","0.3151","0.3423","","","","","","1.222","","","","has coordinates","242266","2020-10-21","18:00:00",""
"4132271","24.051","0.01","5.6437","0.0019","16.91","0.007","90","","122.885","0.005","90","","1927.5","1.3","143","","143","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 -","- C26 H12 N2 -","- C104 H48 N8 -","4","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.0985","0.0894","","","0.2769","0.2924","","","","","","1.083","","","","has coordinates","242267","2020-10-21","18:00:00",""
"4132272","11.5847","0.0004","15.8101","0.0005","19.4838","0.0006","68.749","0.0013","75.104","0.0015","78.43","0.0014","3191.21","0.18","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H56 Cl2 N4 O4 -","- C89 H52 Cl2 N4 O4 -","- C178 H104 Cl4 N8 O8 -","2","1","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","1.54187","CuKα","","","0.1305","","","","0.3844","","","","","","1.005","","","","has coordinates","242269","2020-10-21","18:00:00",""
"4132273","19.4101","","24.8072","","10.7401","","90","","90","","90","","5171.47","","143","","143","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C104 H106 Cl12 N8 O3 Sb2 -","- C106 H70 Cl12 N8 O3 Sb2 -","- C212 H140 Cl24 N16 O6 Sb4 -","2","0.5","","Inoue, Yuki; Sakamaki, Daisuke; Tsutsui, Yusuke; Gon, Masayuki; Chujo, Yoshiki; Seki, Shu","Hash-Mark-Shaped Azaacene Tetramers with Axial Chirality.","Journal of the American Chemical Society","2018","140","23","7152","7158","10.1021/jacs.8b02689","","","0.71075","MoKα","","0.1065","0.0845","","","0.1989","0.2173","","","","","","1.105","","","","has coordinates","242270","2020-10-21","18:00:00",""
"4132274","11.5111","0.0003","23.1376","0.0007","8.0997","0.0002","90","","90.967","0.003","90","","2156.96","0.1","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 F3 Ir O -","- C24 H30 F3 Ir O -","- C96 H120 F12 Ir4 O4 -","4","1","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","0.71073","MoKα","","0.0584","0.04","","","0.0655","0.0738","","","","","","1.067","","","","has coordinates,has disorder","242271","2020-10-21","18:00:00",""
"4132275","8.252","0.0002","9.1752","0.0002","26.1498","0.0005","80.224","0.002","89.855","0.002","87.327","0.002","1949","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 Ir O2 S -","- C20 H29 Ir O2 S -","- C80 H116 Ir4 O8 S4 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0695","0.0703","","","","","","1.107","","","","has coordinates","242272","2020-10-21","18:00:00",""
"4132276","13.5428","0.0003","18.8283","0.0003","18.9337","0.0003","91.405","0.001","108.247","0.002","107.063","0.002","4347.1","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Cl4 F12 Ir2 -","- C44 H34 Cl4 F12 Ir2 -","- C176 H136 Cl16 F48 Ir8 -","4","2","","Romanov-Michailidis, Fedor; Ravetz, Benjamin D.; Paley, Daniel W.; Rovis, Tomislav","Ir(III)-Catalyzed Carbocarbation of Alkynes through Undirected Double C-H Bond Activation of Anisoles.","Journal of the American Chemical Society","2018","140","16","5370","5374","10.1021/jacs.8b02716","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1083","0.1094","","","","","","1.083","","","","has coordinates,has disorder","242273","2020-10-21","18:00:00",""
"4132277","44.899","0.004","12.1059","0.0011","16.7796","0.0014","90","","100.249","0.003","90","","8974.9","1.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H68 Cl8 F10 N4 Pd2 -","- C100 H68 Cl8 F10 N4 Pd2 -","- C400 H272 Cl32 F40 N16 Pd8 -","4","0.5","","Ke, Xian-Sheng; Hong, Yongseok; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Metal-Stabilized Quinoidal Dibenzo[ g, p]chrysene-Fused Bis-dicarbacorrole System.","Journal of the American Chemical Society","2018","140","24","7579","7586","10.1021/jacs.8b02718","","","0.71073","MoKα","","0.081","0.0461","","","0.096","0.1062","","","","","","1.031","","","","has coordinates,has disorder","242274","2020-10-21","18:00:00",""
"4132278","9.3385","0.0015","9.8454","0.0016","17.075","0.003","90","","98.278","0.003","90","","1553.5","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H35 Br2 N O5 -","- C33 H35 Br2 N O5 -","- C66 H70 Br4 N2 O10 -","2","1","","Mori, Keiji; Isogai, Ryo; Kamei, Yuto; Yamanaka, Masahiro; Akiyama, Takahiko","Chiral Magnesium Bisphosphate-Catalyzed Asymmetric Double C(sp<sup>3</sup>)-H Bond Functionalization Based on Sequential Hydride Shift/Cyclization Process.","Journal of the American Chemical Society","2018","140","20","6203","6207","10.1021/jacs.8b02761","","","0.71073","MoKα","","0.0645","0.0442","","","0.0838","0.0905","","","","","","0.969","","","","has coordinates","242275","2020-10-21","18:00:00",""
"4132279","17.4658","0.0008","17.4658","0.0008","15.8447","0.0009","90","","90","","90","","4833.5","0.4","295.35","0.1","295.35","0.1","","","","","","","","4","I -4","I -4","82","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C192 H208 N24 O8 -","8","1","","Cao, Wei; Wang, Wei David; Xu, Hai-Sen; Sergeyev, Ivan V.; Struppe, Jochem; Wang, Xiaoling; Mentink-Vigier, Frederic; Gan, Zhehong; Xiao, Ming-Xing; Wang, Lu-Yao; Chen, Guo-Peng; Ding, San-Yuan; Bai, Shi; Wang, Wei","Exploring Applications of Covalent Organic Frameworks: Homogeneous Reticulation of Radicals for Dynamic Nuclear Polarization.","Journal of the American Chemical Society","2018","140","22","6969","6977","10.1021/jacs.8b02839","","","0.71073","MoKα","","0.2477","0.1165","","","0.2906","0.3798","","","","","","0.958","","","","has coordinates","242276","2020-10-21","18:00:00",""
"4132280","15.8988","0.0003","13.9099","0.0004","20.4188","0.0006","90","","93.141","0.002","90","","4508.8","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H84 Cl2 P2 Pt -","- C42 H84 Cl2 P2 Pt -","- C168 H336 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0849","0.0436","","","0.0947","0.1099","","","","","","1.02","","","","has coordinates","242277","2020-10-21","18:00:00",""
"4132281","10.5573","0.0002","16.0058","0.0003","17.6476","0.0009","94.62","0.009","91.338","0.008","97.183","0.009","2947.36","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Cl2 O6 P2 Pt -","- C24 H48 Cl2 O6 P2 Pt -","- C96 H192 Cl8 O24 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0357","0.0251","","","0.0576","0.0617","","","","","","1.02","","","","has coordinates","242278","2020-10-21","18:00:00",""
"4132282","27.366","0.0007","27.366","0.0007","26.318","0.0008","90","","90","","120","","17068.9","0.8","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C30 H60 Cl2 O6 P2 Pt -","- C30 H60 Cl2 O6 P2 Pt -","- C540 H1080 Cl36 O108 P36 Pt18 -","18","0.5","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.1032","0.0608","","","0.1546","0.1813","","","","","","1.046","","","","has coordinates","242279","2020-10-21","18:00:00",""
"4132283","24.469","0.002","13.88","0.0012","20.2636","0.0018","90","","95.492","0.005","90","","6850.5","1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H126 Cl2 P2 Pt -","- C66 H126 Cl2 P2 Pt -","- C264 H504 Cl8 P8 Pt4 -","4","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","1.54178","CuKα","","0.0712","0.055","","","0.1128","0.126","","","","","","1.127","","","","has coordinates,has disorder","242280","2020-10-21","18:00:00",""
"4132284","13.1005","0.0001","13.3774","0.0002","15.5372","0.0002","77.946","0.001","79.853","0.001","82.14","0.001","2607.05","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H94 P2 Pt -","- C54 H94 P2 Pt -","- C108 H188 P4 Pt2 -","2","1","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0319","0.0258","","","0.0592","0.0618","","","","","","1.024","","","","has coordinates","242281","2020-10-21","18:00:00",""
"4132285","14.0147","0.0019","18.709","0.003","20.052","0.003","80.503","0.001","87.995","0.001","85.644","0.001","5169.3","1.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H96 Cl2 P2 Pt -","- C48 H96 Cl2 P2 Pt -","- C192 H384 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0514","0.0452","","","0.1035","0.1076","","","","","","1.063","","","","has coordinates","242282","2020-10-21","18:00:00",""
"4132286","13.8635","0.0012","18.4284","0.0016","25.106","0.002","83.861","0.002","88.11","0.002","86.673","0.002","6364.3","0.9","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H120 Cl2 P2 Pt -","- C60 H120 Cl2 P2 Pt -","- C240 H480 Cl8 P8 Pt4 -","4","2","","Joshi, Hemant; Kharel, Sugam; Ehnbom, Andreas; Skopek, Katrin; Hess, Gisela D.; Fiedler, Tobias; Hampel, Frank; Bhuvanesh, Nattamai; Gladysz, John A.","Three-Fold Intramolecular Ring Closing Alkene Metatheses of Square Planar Complexes with cis Phosphorus Donor Ligands P(X(CH<sub>2</sub>) <sub>m</sub>CH═CH<sub>2</sub>)<sub>3</sub> (X = -, m = 5-10; X = O, m = 3-5): Syntheses, Structures, and Thermal Properties of Macrocyclic Dibridgehead Diphosphorus Complexes.","Journal of the American Chemical Society","2018","140","27","8463","8478","10.1021/jacs.8b02846","","","0.71073","MoKα","","0.0671","0.0506","","","0.0966","0.1062","","","","","","1.175","","","","has coordinates","242283","2020-10-21","18:00:00",""
"4132287","23.4195","0.0013","6.1479","0.0004","21.5093","0.0012","90","","114.733","0.003","90","","2812.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O3 S -","- C30 H32 N2 O3 S -","- C120 H128 N8 O12 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0571","0.0444","","","0.1326","0.1403","","","","","","1.028","","","","has coordinates","242284","2020-10-21","18:00:00",""
"4132288","7.826","0.001","10.51","0.002","14.886","0.004","73.77","0.019","78.172","0.015","69.098","0.015","1090.6","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C48 H52 N4 O4 S2 -","2","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","0.71073","MoKα","","0.0918","0.0576","","","0.1302","0.1562","","","","","","1.037","","","","has coordinates","242285","2020-10-21","18:00:00",""
"4132289","34.1594","0.0008","8.4566","0.0002","15.1869","0.0003","90","","91.752","0.001","90","","4385.03","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H28 N2 O2 S -","- C23 H28 N2 O2 S -","- C184 H224 N16 O16 S8 -","8","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0395","0.035","","","0.0935","0.097","","","","","","1.026","","","","has coordinates","242286","2020-10-21","18:00:00",""
"4132290","11.6237","0.0003","13.4549","0.0004","13.8736","0.0004","90","","104.221","0.001","90","","2103.28","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","2","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0443","0.0392","","","0.1147","0.1196","","","","","","0.95","","","","has coordinates","242287","2020-10-21","18:00:00",""
"4132291","11.557","0.004","12.498","0.004","14.777","0.004","90","","90","","90","","2134.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0344","0.0321","","","0.0897","0.0914","","","","","","1.012","","","","has coordinates","242288","2020-10-21","18:00:00",""
"4132292","10.427","0.002","18.683","0.004","25.279","0.005","108.28","0.03","97.96","0.03","91.64","0.03","4617.4","1.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","Benzo-TTF-C4P, TCNQ","Benzo-TTF-calixpyrrole-TCNQ Charge-transfer complex","","- C84.97 H52.97 Cl2.91 N12 S16 -","- C84.97 H52.97 Cl2.91 N12 S16 -","- C169.94 H105.94 Cl5.82 N24 S32 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1738","0.0983","","","0.2056","0.2287","","","","","","1.225","","","","has coordinates","242289","2020-10-21","18:00:00",""
"4132293","11.342","0.002","11.983","0.002","15.853","0.003","103.65","0.03","104.69","0.03","93.17","0.03","2010.1","0.8","223","2","223","2","","","","","","","","3","P -1","-P 1","2","THA TCNQ radical anion","Tetrahexylammonium 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile","","- C36 H56 N5 -","- C36 H56 N5 -","- C72 H112 N10 -","2","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71073","MoKα","","0.1747","0.1026","","","0.2485","0.2697","","","","","","1.323","","","","has coordinates","242290","2020-10-21","18:00:00",""
"4132294","13.319","0.008","38.199","0.02","14.505","0.008","90","","112.908","0.007","90","","6798","7","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzo-TTFC4P Chloride","Benzo-TTF-Calix[4]pyrrole radical cation Chloride salt","","- C61 H46 Cl3 N4 S16 -","- C61 H46 Cl3 N4 S16 -","- C244 H184 Cl12 N16 S64 -","4","1","","Park, Jung Su; Park, Jihye; Yang, Yun Jae; Tran, Trang Thu; Kim, In Su; Sessler, Jonathan L.","Disparate Downstream Reactions Mediated by an Ionically Controlled Supramolecular Tristate Switch.","Journal of the American Chemical Society","2018","140","24","7598","7604","10.1021/jacs.8b02867","","","0.71075","MoKα","","0.2458","0.189","","","0.3411","0.3721","","","","","","1.266","","","","has coordinates","242291","2020-10-21","18:00:00",""
"4132295","13.1526","0.0002","19.5199","0.0003","12.3721","0.0002","90","","90","","90","","3176.38","0.09","123","2","123","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C42 H18 F12 -","- C42 H18 F12 -","- C168 H72 F48 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0341","0.0339","","","0.0929","0.0931","","","","","","1.109","","","","has coordinates","242292","2020-10-21","18:00:00",""
"4132296","8.671","0.0004","8.9923","0.0004","9.2524","0.0003","93.693","0.003","100.002","0.003","106.443","0.004","676.46","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","- C30 H26 F8 N4 O2 -","1","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.71073","MoKα","","0.0541","0.0397","","","","0.1385","","","","","","0.99","","","","has coordinates","242293","2020-10-21","18:00:00",""
"4132297","5.3834","0.0003","5.7482","0.0003","16.8992","0.0008","90","","97.711","0.002","90","","518.21","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 F4 N4 -","- C12 H6 F4 N4 -","- C24 H12 F8 N8 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0295","0.0294","","","0.0725","0.0726","","","","","","1.091","","","","has coordinates","242294","2020-10-21","18:00:00",""
"4132298","15.3843","0.001","93.285","0.007","53.37","0.004","90","","90","","90","","76593","10","100","2","100","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C51 H12 F24 N6 -","- C51 H12 F24 N6 -","- C1632 H384 F768 N192 -","32","2","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.1842","0.1248","","","0.3158","0.3549","","","","","","1.087","","","","has coordinates","242295","2020-10-21","18:00:00",""
"4132299","19.161","0.0007","34.1885","0.0015","7.1304","0.0004","90","","110.374","0.003","90","","4378.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.42 H16.73 F12 N9.39 O1.64 -","- C32.418 H16.732 F12 N9.388 O1.642 -","- C129.672 H66.928 F48 N37.552 O6.568 -","4","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0904","0.0745","","","0.2359","0.2558","","","","","","1.007","","","","has coordinates,has disorder","242296","2020-10-21","18:00:00",""
"4132300","7.5844","0.0001","15.3613","0.0003","37.013","0.0006","90","","90","","90","","4312.25","0.12","123","2","123","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C51 H27 F16 N9 O -","- C51 H27 F16 N9 O -","- C204 H108 F64 N36 O4 -","4","0.25","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0499","0.0494","","","0.1196","0.1197","","","","","","1.259","","","","has coordinates,has disorder","242298","2020-10-21","18:00:00",""
"4132301","9.57","0.0003","9.4056","0.0003","10.632","0.0003","90","","106.84","0.001","90","","915.96","0.05","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H12 N6 -","- C21 H12 N6 -","- C42 H24 N12 -","2","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0265","0.0265","","","0.0741","0.0741","","","","","","1.068","","","","has coordinates","242299","2020-10-21","18:00:00",""
"4132302","7.2212","0.0004","12.973","0.0006","8.0959","0.0004","90","","90.812","0.002","90","","758.35","0.07","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Cl2 F4 N6 -","- C14 H6 Cl2 F4 N6 -","- C28 H12 Cl4 F8 N12 -","2","0.5","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0311","0.0306","","","0.086","0.0866","","","","","","1.064","","","","has coordinates","242300","2020-10-21","18:00:00",""
"4132303","19.4179","0.0017","19.4179","0.0017","4.9668","0.0004","90","","90","","120","","1621.9","0.2","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C27.36 H7.44 F12 N12 O0.36 -","- C27.36 H7.44 F12 N12 O0.36 -","- C54.72 H14.88 F24 N24 O0.72 -","2","0.333333","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","0.40651","synchrotron","","0.0707","0.0492","","","0.1499","0.1635","","","","","","1.024","","","","has coordinates,has disorder","242301","2020-10-21","18:00:00",""
"4132304","16.393","0.0005","14.535","0.0005","6.4865","0.0002","90","","94.108","0.002","90","","1541.58","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 F8 N4 -","- C18 H6 F8 N4 -","- C72 H24 F32 N16 -","4","1","","Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.","Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.","Journal of the American Chemical Society","2018","140","18","6014","6026","10.1021/jacs.8b02869","","","1.54178","CuKα","","0.0318","0.0274","","","0.0719","0.0764","","","","","","1.066","","","","has coordinates","242302","2020-10-21","18:00:00",""
"4132305","9.1114","0.0002","9.3977","0.0002","21.5596","0.0005","90","","90","","90","","1846.07","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C84 H100 N4 O4 S4 -","4","1","","Picazo, Elias; Anthony, Sarah M.; Giroud, Maude; Simon, Adam; Miller, Margeaux A.; Houk, K. N.; Garg, Neil K.","Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers.","Journal of the American Chemical Society","2018","140","24","7605","7610","10.1021/jacs.8b02875","","","1.54178","CuKα","","0.0228","0.0219","","","0.058","0.0582","","","","","","1.085","","","","has coordinates","242303","2020-10-21","18:00:00",""
"4132306","10.1113","0.0014","14.6016","0.0018","11.3834","0.001","90","","90","","90","","1680.7","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H16 Br Mn N4 O3 -","- C14 H16 Br Mn N4 O3 -","- C56 H64 Br4 Mn4 N16 O12 -","4","0.5","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","MoKα","","0.0526","0.0353","","","0.0642","0.0706","","","","","","1.056","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132307","9.2015","0.0007","10.7157","0.0008","15.6589","0.0012","76.778","0.007","74.207","0.007","84.676","0.006","1445.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Mn N7 O7 -","- C27 H30 Mn N7 O7 -","- C54 H60 Mn2 N14 O14 -","2","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","x-ray","0.71073","MoKα","","0.0722","0.0455","","","0.088","0.0971","","","","","","1.022","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132308","12.403","0.003","33.488","0.007","12.991","0.003","90","","96.43","0.03","90","","5362","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C53 H49.5 Mn2 N7.5 O10.5 -","- C49.5 H46.5 Mn2 N7.5 O10.5 -","- C198 H186 Mn8 N30 O42 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0888","0.0787","","","0.2085","0.2147","","","","","","1.074","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132309","12.422","0.003","33.152","0.007","13.004","0.003","90","","95.44","0.03","90","","5331","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H48 Mn2 N7.5 O8.5 -","- C48.5 H44 Mn2 N7.5 O8.5 -","- C194 H176 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0776","0.0678","","","0.184","0.1899","","","","","","1.083","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132310","12.3848","0.0017","33.886","0.005","12.8929","0.0012","90","","99.101","0.01","90","","5342.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C45 H52 Br0.5 Mn2 N6 O11 -","- C39 H33 Br0.5 Mn2 N6 O8 -","- C156 H132 Br2 Mn8 N24 O32 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.1541","0.077","","","0.1878","0.2169","","","","","","0.92","","","","has coordinates,has disorder","242304","2020-10-21","18:00:00",""
"4132311","12.461","0.003","33.626","0.007","13.016","0.003","90","","96.09","0.03","90","","5423","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C51.5 H45.5 Mn2 N7.5 O8.5 -","- C44.5 H37.5 Mn2 N7.5 O8.5 -","- C178 H150 Mn8 N30 O34 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.71073","Synchrotron","","0.0914","0.083","","","0.258","0.2682","","","","","","1.068","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132312","12.418","0.003","32.716","0.007","12.989","0.003","90","","94.42","0.03","90","","5261","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C49.5 H45 Mn2 N7.5 O7.5 -","- C39 H33 Mn2 N7.5 O7.5 -","- C156 H132 Mn8 N30 O30 -","4","1","","Huxley, Michael T.; Burgun, Alexandre; Ghodrati, Hanieh; Coghlan, Campbell J.; Lemieux, Anthony; Champness, Neil R.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Protecting-Group-Free Site-Selective Reactions in a Metal-Organic Framework Reaction Vessel.","Journal of the American Chemical Society","2018","140","20","6416","6425","10.1021/jacs.8b02896","","","0.7108","Synchrotron","","0.0831","0.0719","","","0.1936","0.2004","","","","","","1.027","","","","has coordinates","242304","2020-10-21","18:00:00",""
"4132313","13.9014","0.0013","11.8934","0.0012","20.261","0.002","90","","91.068","0.005","90","","3349.3","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-211","","- C28.04 H47 B Cl1.02 Mo N6 O4.04 P -","- C28 H47 B Cl Mo N6 O4 P -","- C112 H188 B4 Cl4 Mo4 N24 O16 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0669","0.0525","","","0.131","0.1401","","","","","","1.092","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132314","17.2762","0.0007","14.4377","0.0004","16.8995","0.0007","90","","114.912","0.003","90","","3823","0.3","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","PG-164","","- C30 H56 B Mo N6 Na O7 P -","- C30 H56 B Mo N6 Na O7 P -","- C120 H224 B4 Mo4 N24 Na4 O28 P4 -","4","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0912","0.0585","","","0.1322","0.1452","","","","","","1.026","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132315","13.5487","0.0004","14.7499","0.0005","16.1417","0.0005","109.37","0.002","93.449","0.003","98.756","0.003","2986.48","0.17","123","","123","","","","","","","","","7","P -1","-P 1","2","","PG-180","","- C27 H39 B Mo N6 O2 P -","- C27 H39 B Mo N6 O2 P -","- C108 H156 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0811","0.0583","","","0.1513","0.1616","","","","","","0.996","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132316","11.9565","0.0016","25.378","0.004","16.08","0.002","90","","104.783","0.005","90","","4717.7","1.1","123","","123","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","PG-167.3","","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C79 H118 B4 Mo4 N24 O8 P2 Si2 -","- C158 H236 B8 Mo8 N48 O16 P4 Si4 -","2","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0771","0.0563","","","0.1176","0.1321","","","","","","1.126","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132317","13.5471","0.0004","14.2491","0.0004","16.299","0.0005","109.005","0.002","95.885","0.002","95.334","0.002","2932.26","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 B Mo N6 O2 P -","- C26 H38 B Mo N6 O2 P -","- C104 H152 B4 Mo4 N24 O8 P4 -","4","2","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0344","0.026","","","0.0632","0.0651","","","","","","0.9932","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132318","18.5406","0.0005","24.8594","0.0006","19.5832","0.0005","90","","90","","90","","9026.1","0.4","123","2","123","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C70 H128 B2 K2 Mo2 N12 O22 Si -","- C280 H512 B8 K8 Mo8 N48 O88 Si4 -","4","0.5","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.0611","0.0296","","","0.0475","0.0515","","","","","","0.83","","","","has coordinates","242305","2020-10-21","18:00:00",""
"4132319","13.3366","0.0008","16.7705","0.0011","26.6283","0.0018","103.244","0.002","93.358","0.002","93.082","0.002","5773.5","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","P.G.-451","","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C100 H160 B2 Mo2 N12 O4 Si10 -","- C200 H320 B4 Mo4 N24 O8 Si20 -","2","1","","Ghana, Priyabrata; Arz, Marius I.; Chakraborty, Uttam; Schnakenburg, Gregor; Filippou, Alexander C.","Linearly Two-Coordinated Silicon: Transition Metal Complexes with the Functional Groups M≡Si-M and M═Si═M.","Journal of the American Chemical Society","2018","140","23","7187","7198","10.1021/jacs.8b02902","","","0.71073","MoKα","","0.098","0.0491","","","0.0883","0.1019","","","","","","0.94","","","","has coordinates,has disorder","242305","2020-10-21","18:00:00",""
"4132320","10.6225","0.0006","5.2027","0.0003","17.6456","0.001","90","","104.888","0.006","90","","942.46","0.1","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","2","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0786","0.0479","","","0.1235","0.1526","","","","","","1.096","","","","has coordinates","242306","2020-10-21","18:00:00",""
"4132321","23.4971","0.0007","23.4971","0.0007","10.1419","0.0004","90","","90","","120","","4849.3","0.3","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C13 H14 O -","- C13 H14 O -","- C234 H252 O18 -","18","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.0542","0.0447","","","0.1012","0.1061","","","","","","1.057","","","","has coordinates","242307","2020-10-21","18:00:00",""
"4132322","8.5028","0.0004","12.2706","0.0005","15.7004","0.0008","72.017","0.004","79.272","0.004","85.399","0.004","1530.38","0.13","123","","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H48 O5 Si -","- C31 H48 O5 Si -","- C62 H96 O10 Si2 -","2","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71073","MoKα","","0.1673","0.1034","","","0.2626","0.3077","","","","","","1.035","","","","has coordinates,has disorder","242308","2020-10-21","18:00:00",""
"4132323","14.502","0.004","16.495","0.004","24.257","0.006","90","","90","","90","","5803","3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H48 O5 Si -","- C28 H48 O5 Si -","- C224 H384 O40 Si8 -","8","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.1187","0.0761","","","0.1818","0.2142","","","","","","1.061","","","","has coordinates,has disorder","242309","2020-10-21","18:00:00",""
"4132324","9.1557","0.0014","11.8598","0.0019","21.294","0.003","90","","90","","90","","2312.2","0.6","123","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 O3 Si -","- C23 H40 O3 Si -","- C92 H160 O12 Si4 -","4","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.0612","0.0526","","","0.1453","0.1591","","","","","","1.077","","","","has coordinates","242310","2020-10-21","18:00:00",""
"4132325","9.04574","0.00005","25.29692","0.00013","19.03833","0.00011","90","","103.191","0.0005","90","","4241.58","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Vaccarello, David N.; O'Connor, Kyle S; Iacono, Pasquale; Rose, Jeffrey M.; Cherian, Anna E.; Coates, Geoffrey W.","Synthesis of Semicrystalline Polyolefin Materials: Precision Methyl Branching via Stereoretentive Chain Walking.","Journal of the American Chemical Society","2018","140","20","6208","6211","10.1021/jacs.8b02963","","x-ray","1.54184","CuKα","","0.0274","0.0254","","","0.0661","0.0671","","","","","","1.036","","","","has coordinates","242311","2020-10-21","18:00:00",""
"4132326","15.2905","0.0002","21.2936","0.0004","21.9394","0.0005","73.6996","0.0019","77.0624","0.0015","79.2781","0.0015","6623.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 P2 Ru -","- C54 H45 F12 N9 P2 Ru -","- C216 H180 F48 N36 P8 Ru4 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.1057","0.0807","","","0.2256","0.2551","","","","","","1.024","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132327","14.9604","0.0003","23.8784","0.0005","24.1527","0.0006","90","","104.537","0.002","90","","8351.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 F12 N9 Os P2 -","- C78 H72 F12 N9 Os P2 -","- C312 H288 F48 N36 Os4 P8 -","4","1","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","0.71073","MoKα","","0.0721","0.0533","","","0.1482","0.1561","","","","","","1.083","","","","has coordinates","242312","2020-10-21","18:00:00",""
"4132328","15.2657","0.0003","21.4783","0.0004","21.9227","0.0005","73.534","0.002","76.39","0.002","80.261","0.002","6659.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H45 F12 N9 Os P2 -","- C54 H45 F12 N9 Os P2 -","- C216 H180 F48 N36 Os4 P8 -","4","2","","Keisar, Hodaya; de Ruiter, Graham; Velders, Aldrik H.; Milko, Petr; Gulino, Antonino; Evmenenko, Guennadi; Shimon, Linda J. W.; Diskin-Posner, Yael; Lahav, Michal; van der Boom, Milko E.","Sorting of Molecular Building Blocks from Solution to Surface.","Journal of the American Chemical Society","2018","140","26","8162","8171","10.1021/jacs.8b02968","","","1.54184","CuKα","","0.0895","0.062","","","0.1663","0.1836","","","","","","0.994","","","","has coordinates,has disorder","242312","2020-10-21","18:00:00",""
"4132329","10.718","0.005","11.09","0.005","11.966","0.005","109.125","0.005","106.64","0.005","108.575","0.005","1146.2","0.9","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","- C50 H34 N6 O Zn -","1","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1991","0.0728","","","0.1669","0.2043","","","","","","0.79","","","","has coordinates","242313","2020-10-21","18:00:00",""
"4132330","18.382","0.017","11.34","0.01","23.79","0.02","90","","111.405","0.012","90","","4617","7","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C108 H68 Fe2 N12 O6 -","- C108 H68 Fe2 N12 O6 -","- C216 H136 Fe4 N24 O12 -","2","0.5","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.382","0.0724","","","0.1735","0.2829","","","","","","0.734","","","","has coordinates","242314","2020-10-21","18:00:00",""
"4132331","17.481","0.006","13.53","0.005","21.851","0.008","90","","93.37","0.007","90","","5159","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H53 N5 O2 Zn -","- C64 H53 N5 O2 Zn -","- C256 H212 N20 O8 Zn4 -","4","1","","Bhunia, Sarmistha; Rana, Atanu; Roy, Pronay; Martin, Daniel J.; Pegis, Michael L.; Roy, Bijan; Dey, Abhishek","Rational Design of Mononuclear Iron Porphyrins for Facile and Selective 4e<sup>-</sup>/4H<sup>+</sup> O<sub>2</sub> Reduction: Activation of O-O Bond by 2nd Sphere Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","30","9444","9457","10.1021/jacs.8b02983","","","0.71073","MoKα","","0.1585","0.0803","","","0.1303","0.1541","","","","","","1.044","","","","has coordinates","242315","2020-10-21","18:00:00",""
"4132333","24.997","0.002","5.1956","0.0005","18.1896","0.0017","90","","104.221","0.003","90","","2290","0.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C10 H19 Br O2 -","- C10 H19 Br O2 -","- C80 H152 Br8 O16 -","8","2","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","1.54184","CuKα","","0.0507","0.0484","","","0.1317","0.1332","","","","","","1.022","","","","has coordinates,has disorder","242317","2020-10-21","18:00:00",""
"4132335","13.6584","0.0011","5.684","0.0005","16.1484","0.0014","90","","109.058","0.006","90","","1184.95","0.18","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C52 H68 Br4 O8 -","4","1","","Goh, Shermin S.; Guduguntla, Sureshbabu; Kikuchi, Takashi; Lutz, Martin; Otten, Edwin; Fujita, Makoto; Feringa, Ben L.","Desymmetrization of meso-Dibromocycloalkenes through Copper(I)-Catalyzed Asymmetric Allylic Substitution with Organolithium Reagents.","Journal of the American Chemical Society","2018","140","23","7052","7055","10.1021/jacs.8b02992","","","0.71073","MoKα","","0.0193","0.0184","","","0.0476","0.048","","","","","","1.099","","","","has coordinates","242319","2020-10-21","18:00:00",""
"4132338","19.9556","0.0011","22.8307","0.0014","21.9438","0.0012","90","","91.054","0.002","90","","9995.9","1","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H38 N2 O8 S2 Zn2 -","- C53 H38 N2 O8 S2 Zn2 -","- C318 H228 N12 O48 S12 Zn12 -","6","1.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.079","0.042","","","0.0852","0.0944","","","","","","1.021","","","","has coordinates","242322","2020-10-21","18:00:00",""
"4132340","11.291","0.004","15.799","0.005","18.292","0.006","90","","90","","90","","3263","1.9","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C63 H40 Br2 N4 O11 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","- C50 H24 Br2 N2 O8 Zn2 -","1","0.125","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0829","0.0571","","","0.1431","0.1544","","","","","","1.027","","","","has coordinates","242324","2020-10-21","18:00:00",""
"4132342","8.9034","0.0003","10.004","0.0004","15.0137","0.0006","92.406","0.001","105.717","0.001","113.904","0.001","1159.22","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O3 -","- C29 H24 N4 O3 -","- C58 H48 N8 O6 -","2","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0688","0.043","","","0.0894","0.0991","","","","","","1.005","","","","has coordinates","242326","2020-10-21","18:00:00",""
"4132344","12.9265","0.0008","27.1065","0.0017","11.5966","0.0006","90","","105.835","0.002","90","","3909.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Br2 N4 O6 -","- C38 H32 Br2 N4 O6 -","- C152 H128 Br8 N16 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0538","0.0432","","","0.1072","0.1123","","","","","","1.032","","","","has coordinates","242328","2020-10-21","18:00:00",""
"4132346","11.149","0.002","15.869","0.003","22.608","0.005","90","","90","","90","","3999.9","1.4","220","2","220","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C82 H56 Br2 N6 O14 Zn2 -","- C14 H6 Br0.5 N0.5 O2 Zn0.5 -","- C56 H24 Br2 N2 O8 Zn2 -","4","0.5","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1089","0.0697","","","0.1934","0.2279","","","","","","1.039","","","","has coordinates","242330","2020-10-21","18:00:00",""
"4132348","9.3937","0.0003","33.5488","0.0013","11.4358","0.0004","90","","92.795","0.001","90","","3599.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br2 N2 O3 -","- C19 H16 Br2 N2 O3 -","- C152 H128 Br16 N16 O24 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0681","0.0553","","","0.1117","0.1149","","","","","","1.329","","","","has coordinates,has disorder","242332","2020-10-21","18:00:00",""
"4132349","15.7656","0.001","22.972","0.0015","23.9458","0.0015","90","","94.083","0.002","90","","8650.4","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N6 O7 -","- C50 H44 N6 O7 -","- C400 H352 N48 O56 -","8","2","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.1114","0.0813","","","0.2115","0.2322","","","","","","1.058","","","","has coordinates","242333","2020-10-21","18:00:00",""
"4132350","17.2113","0.0008","9.6042","0.0004","25.5421","0.0012","90","","109.466","0.002","90","","3980.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N6 O6 -","- C48 H40 N6 O6 -","- C192 H160 N24 O24 -","4","1","","Williams, Derek E.; Martin, Corey R.; Dolgopolova, Ekaterina A.; Swifton, Anton; Godfrey, Danielle C.; Ejegbavwo, Otega A.; Pellechia, Perry J.; Smith, Mark D.; Shustova, Natalia B.","Flipping the Switch: Fast Photoisomerization in a Confined Environment.","Journal of the American Chemical Society","2018","140","24","7611","7622","10.1021/jacs.8b02994","","x-ray","0.71073","MoKα","","0.0634","0.0451","","","0.0952","0.103","","","","","","1.051","","","","has coordinates","242334","2020-10-21","18:00:00",""
"4132351","9.4235","0.0012","20.518","0.003","18.322","0.002","90","","99.732","0.005","90","","3491.6","0.8","273","","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","2","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0681","0.0644","","","0.1927","0.1971","","","","","","1.082","","","","has coordinates","242335","2020-10-21","18:00:00",""
"4132352","9.4065","0.001","14.5426","0.0016","11.1202","0.0012","90","","91.584","0.003","90","","1520.6","0.3","162","","162.9","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0375","0.0369","","","0.0905","0.091","","","","","","1.053","","","","has coordinates","242336","2020-10-21","18:00:00",""
"4132353","7.5257","0.001","13.677","0.0017","17.867","0.002","90","","90","","90","","1839","0.4","153","","153.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 I O3 -","- C19 H25 I O3 -","- C76 H100 I4 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0589","0.0587","","","0.1518","0.1522","","","","","","1.076","","","","has coordinates","242337","2020-10-21","18:00:00",""
"4132354","7.5021","0.0005","18.2651","0.0011","10.4008","0.0006","90","","99.019","0.002","90","","1407.57","0.15","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0452","0.0421","","","0.1117","0.1139","","","","","","1.075","","","","has coordinates","242338","2020-10-21","18:00:00",""
"4132355","14.5021","0.0003","7.1154","0.0001","16.3667","0.0003","90","","115.269","0.001","90","","1527.25","0.05","273","","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0385","0.037","","","0.1028","0.1042","","","","","","1.067","","","","has coordinates","242339","2020-10-21","18:00:00",""
"4132356","10.43","0.003","11.159","0.003","13.768","0.004","93.224","0.003","99.919","0.004","93.288","0.005","1572.3","0.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","- C72 H84 N5 O4 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0513","0.0504","","","0.1556","0.1564","","","","","","1.31","","","","has coordinates,has disorder","242340","2020-10-21","18:00:00",""
"4132357","9.813","0.002","11.262","0.002","11.59","0.002","62.96","0.03","75.66","0.03","68.08","0.03","1053.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","- C52 H44 N5 O2 Rh -","1","0.5","","Zhang, Jiajing; Zhang, Wentao; Xu, Minghui; Zhang, Yang; Fu, Xuefeng; Fang, Huayi","Production of Formamides from CO and Amines Induced by Porphyrin Rhodium(II) Metalloradical.","Journal of the American Chemical Society","2018","140","21","6656","6660","10.1021/jacs.8b03029","","","0.71073","MoKα","","0.0416","0.0412","","","0.0943","0.0946","","","","","","1.146","","","","has coordinates,has disorder","242341","2020-10-21","18:00:00",""
"4132358","26.6512","0.0014","26.6512","0.0014","7.0521","0.0005","90","","90","","90","","5009","0.5","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C62 H44 N4 -","- C62 H44 N4 -","- C248 H176 N16 -","4","0.25","","di Gregorio, Maria Chiara; Ranjan, Priyadarshi; Houben, Lothar; Shimon, Linda J. W.; Rechav, Katya; Lahav, Michal; van der Boom, Milko E.","Metal-Coordination-Induced Fusion Creates Hollow Crystalline Molecular Superstructures.","Journal of the American Chemical Society","2018","140","29","9132","9139","10.1021/jacs.8b03055","","","0.71073","MoKα","","0.0984","0.0691","","","0.168","0.1869","","","","","","1.125","","","","has coordinates","242342","2020-10-21","18:00:00",""
"4132359","8.7786","0.0008","8.2454","0.0007","10.7228","0.0009","90","","110.205","0.004","90","","728.39","0.11","100","2","99.95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C30 H30 Br2 O8 -","2","1","","Lee, Ansoo; Betori, Rick C.; Crane, Erika A.; Scheidt, Karl A.","An Enantioselective Cross-Dehydrogenative Coupling Catalysis Approach to Substituted Tetrahydropyrans.","Journal of the American Chemical Society","2018","140","20","6212","6216","10.1021/jacs.8b03063","","","0.71073","MoKα","","0.0341","0.0268","","","0.0635","0.0662","","","","","","1.037","","","","has coordinates","242343","2020-10-21","18:00:00",""
"4132360","10.8385","0.0014","18.879","0.003","13.905","0.002","90","","91.968","0.003","90","","2843.6","0.7","100","2","100.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H45 F24 N8 P4 S2 -","- C53 H45 F24 N8 P4 S2 -","- C106 H90 F48 N16 P8 S4 -","2","1","","Roy, Indranil; Bobbala, Sharan; Zhou, Jiawang; Nguyen, Minh T.; Nalluri, Siva Krishna Mohan; Wu, Yilei; Ferris, Daniel P.; Scott, Evan Alexander; Wasielewski, Michael R.; Stoddart, J. Fraser","ExTzBox: A Glowing Cyclophane for Live-Cell Imaging.","Journal of the American Chemical Society","2018","140","23","7206","7212","10.1021/jacs.8b03066","","","0.71073","MoKα","","0.1114","0.0892","","","0.2169","0.2429","","","","","","1.075","","","","has coordinates,has disorder","242344","2020-10-21","18:00:00",""
"4132361","9.881","0.011","9.166","0.01","11.04","0.012","90","","110.96","0.02","90","","933.7","1.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N5 O7 S -","- C16 H25 N5 O7 S -","- C32 H50 N10 O14 S2 -","2","1","","Mailyan, Artur K.; Chen, Joanna L.; Li, Weiwei; Keller, Arturo A.; Sternisha, Shawn M.; Miller, Brian G.; Zakarian, Armen","Short Total Synthesis of [<sup>15</sup>N<sub>5</sub>]-Cylindrospermopsins from <sup>15</sup>NH<sub>4</sub>Cl Enables Precise Quantification of Freshwater Cyanobacterial Contamination.","Journal of the American Chemical Society","2018","140","18","6027","6032","10.1021/jacs.8b03071","","","0.71073","MoKα","","0.1197","0.0711","","","0.1595","0.1808","","","","","","1.038","","","","has coordinates","242345","2020-10-21","18:00:00",""
"4132362","12.9375","0.0002","9.6105","0.0002","10.1863","0.0002","90","","97.313","0.001","90","","1256.22","0.04","170","2","170.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F4 -","- C14 H16 F4 -","- C56 H64 F16 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","1.34139","GaKα","","0.0447","0.0407","","","0.1053","0.1089","","","","","","1.062","","","","has coordinates","242346","2020-10-21","18:00:00",""
"4132363","8.509","0.004","15.545","0.007","13.953","0.007","90","","103.973","0.009","90","","1791","1.5","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cu F2 N2 O6 -","- C16 H20 Cu F2 N2 O6 -","- C64 H80 Cu4 F8 N8 O24 -","4","1","","Liu, Zhonglin; Chen, He; Lv, Ying; Tan, Xinqiang; Shen, Haigen; Yu, Hai-Zhu; Li, Chaozhong","Radical Carbofluorination of Unactivated Alkenes with Fluoride Ions.","Journal of the American Chemical Society","2018","140","19","6169","6175","10.1021/jacs.8b03077","","","0.71073","MoKα","","0.0939","0.0444","","","0.0926","0.1087","","","","","","1.001","","","","has coordinates","242347","2020-10-21","18:00:00",""
"4132364","10.3318","0.0009","10.4224","0.0009","13.6723","0.0012","78.6657","0.0011","75.4327","0.001","75.5399","0.0011","1365.7","0.2","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 Br O7 -","- C31 H31 Br O7 -","- C62 H62 Br2 O14 -","2","1","","Holmbo, Stephen D.; Pronin, Sergey V.","A Concise Approach to Anthraquinone-Xanthone Heterodimers.","Journal of the American Chemical Society","2018","140","15","5065","5068","10.1021/jacs.8b03110","","","0.71073","MoKα","","0.0361","0.0319","","","0.084","0.0864","","","","","","1.045","","","","has coordinates","242348","2020-10-21","18:00:00",""
"4132365","9.5667","0.0013","9.7395","0.0011","23.46","0.003","90","","90","","90","","2185.9","0.5","99","2","99.51","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F6 O2 -","- C24 H23 F6 O2 -","- C96 H92 F24 O8 -","4","1","","Basnet, Prakash; Dhungana, Roshan K.; Thapa, Surendra; Shrestha, Bijay; Kc, Shekhar; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective β,δ-Diarylation of Unactivated Olefins in Ketimines via Ligand-Enabled Contraction of Transient Nickellacycles: Rapid Access to Remotely Diarylated Ketones.","Journal of the American Chemical Society","2018","140","25","7782","7786","10.1021/jacs.8b03163","","","0.71073","MoKα","","0.2225","0.0892","","","0.1357","0.1751","","","","","","0.977","","","","has coordinates","242349","2020-10-21","18:00:00",""
"4132366","10.0521","0.0004","12.6929","0.0008","15.0985","0.0008","90","","90","","90","","1926.42","0.18","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O3 S -","- C24 H18 O3 S -","- C96 H72 O12 S4 -","4","1","","Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong","Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes.","Journal of the American Chemical Society","2018","140","23","7056","7060","10.1021/jacs.8b03211","","","0.71073","MoKα","","0.0546","0.0411","","","0.081","0.0899","","","","","","1.032","","","","has coordinates","242350","2020-10-21","18:00:00",""
"4132367","10.3789","0.0002","8.0553","0.0002","29.9399","0.0007","90","","90","","90","","2503.13","0.1","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0543","0.045","","","0.1063","0.1132","","","","","","1.057","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132368","10.1733","0.0002","9.2676","0.0002","26.9341","0.0008","90","","90","","90","","2539.4","0.11","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","James, Michael J.; Schwarz, Jonas Luca; Strieth-Kalthoff, Felix; Wibbeling, Birgit; Glorius, Frank","Dearomative Cascade Photocatalysis: Divergent Synthesis through Catalyst Selective Energy Transfer.","Journal of the American Chemical Society","2018","140","28","8624","8628","10.1021/jacs.8b03302","","","0.71073","MoKα","","0.0621","0.0463","","","0.1053","0.1151","","","","","","1.031","","","","has coordinates","242351","2020-10-21","18:00:00",""
"4132369","9.8903","0.0007","4.6929","0.0003","11.8569","0.0009","90","","96.707","0.003","90","","546.56","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0882","0.0556","","","0.1102","0.1254","","","","","","1.023","","","","has coordinates","242352","2020-10-21","18:00:00",""
"4132370","6.51","0.0003","8.6267","0.0003","17.3423","0.0007","90","","90","","90","","973.94","0.07","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","0.5","","Liu, Guofeng; Sheng, Jianhui; Wu, Hongwei; Yang, Chaolong; Yang, Guangbao; Li, Yongxin; Ganguly, Rakesh; Zhu, Liangliang; Zhao, Yanli","Controlling Supramolecular Chirality of Two-Component Hydrogels by J- and H-Aggregation of Building Blocks.","Journal of the American Chemical Society","2018","140","20","6467","6473","10.1021/jacs.8b03309","","","0.71073","MoKα","","0.0498","0.0377","","","0.0692","0.0754","","","","","","1.048","","","","has coordinates","242353","2020-10-21","18:00:00",""
"4132371","18.85077","0.00014","15.97613","0.0001","38.4073","0.0003","90","","95.6287","0.0006","90","","11511.1","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H162 Cl8 N2 O24 -","- C110 H162 Cl8 N2 O24 -","- C440 H648 Cl32 N8 O96 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","0.6889","","","0.1369","0.1111","","","0.3306","0.3547","","","","","","1.334","","","","has coordinates,has disorder","242354","2020-10-21","18:00:00",""
"4132372","15.2276","0.00014","16.08441","0.00015","20.7588","0.0002","90","","106.576","0.001","90","","4873.11","0.08","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 Cl N O10 -","- C46 H84 Cl N O10 -","- C184 H336 Cl4 N4 O40 -","4","1","","Fielden, Stephen D. P.; Leigh, David A.; McTernan, Charlie T.; Pérez-Saavedra, Borja; Vitorica-Yrezabal, Iñigo J","Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile.","Journal of the American Chemical Society","2018","140","19","6049","6052","10.1021/jacs.8b03394","","x-ray","1.54184","CuKα","","0.0555","0.0545","","","0.1511","0.1521","","","","","","1.035","","","","has coordinates","242355","2020-10-21","18:00:00",""
"4132373","9.2197","0.0015","20.178","0.003","18.246","0.003","90","","103.57","0.002","90","","3299.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 B Cl Li2 O2 Si4 -","- C24 H52 B Cl Li2 O2 Si4 -","- C96 H208 B4 Cl4 Li8 O8 Si16 -","4","1","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.0693","0.0509","","","0.1173","0.1259","","","","","","1.073","","","","has coordinates,has disorder","242356","2020-10-21","18:00:00",""
"4132374","11.9337","0.0007","17.0324","0.001","11.6249","0.0007","90","","90","","90","","2362.9","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H36 B Cl Si4 -","- C16 H36 B Cl Si4 -","- C64 H144 B4 Cl4 Si16 -","4","0.5","","Lee, Vladimir Ya; Sugasawa, Haruka; Gapurenko, Olga A.; Minyaev, Ruslan M.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","From Borapyramidane to Borole Dianion.","Journal of the American Chemical Society","2018","140","19","6053","6056","10.1021/jacs.8b03473","","","0.71073","MoKα","","0.025","0.0244","","","0.0693","0.0699","","","","","","1.01","","","","has coordinates","242357","2020-10-21","18:00:00",""
"4132375","10.4618","0.0005","6.6429","0.0003","12.8407","0.0006","90","","112.484","0.002","90","","824.55","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Shen, Peng-Xiang; Hu, Liang; Shao, Qian; Hong, Kai; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Arylation of Free Carboxylic Acids.","Journal of the American Chemical Society","2018","140","21","6545","6549","10.1021/jacs.8b03509","","x-ray","1.54178","CuKα","","0.0367","0.0351","","","0.0893","0.0909","","","","","","1.076","","","","has coordinates","242358","2020-10-21","18:00:00",""
"4132376","8.7271","0.0016","13.977","0.003","16.68","0.003","92.757","0.005","98.833","0.005","91.076","0.005","2007.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","2","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.1255","0.0885","","","0.2132","0.2371","","","","","","1.049","","","","has coordinates,has disorder","242359","2020-10-21","18:00:00",""
"4132377","13.6378","0.0008","13.6481","0.0008","19.0182","0.0011","93.601","0.002","102.19","0.002","111.741","0.002","3174.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 Fe O2 -","- C26 H30 Fe O2 -","- C156 H180 Fe6 O12 -","6","3","","Wang, Chengpeng; Dong, Guangbin","Direct β-Alkylation of Ketones and Aldehydes via Pd-Catalyzed Redox Cascade.","Journal of the American Chemical Society","2018","140","19","6057","6061","10.1021/jacs.8b03530","","","0.71073","MoKα","","0.0606","0.0382","","","0.077","0.0844","","","","","","1.011","","","","has coordinates","242360","2020-10-21","18:00:00",""
"4132378","16.4092","0.0016","16.4773","0.0016","28.5237","0.0013","92.704","0.006","92.421","0.006","107.771","0.009","7323","1.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C164 H150.76 N10 O12 -","- C164 H150.916 N10 O12 -","- C328 H301.832 N20 O24 -","2","1","","Schuster, Nathaniel J.; Hernández Sánchez, Raúl; Bukharina, Daria; Kotov, Nicholas A.; Berova, Nina; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","A Helicene Nanoribbon with Greatly Amplified Chirality.","Journal of the American Chemical Society","2018","140","20","6235","6239","10.1021/jacs.8b03535","","x-ray","1.54184","CuKα","","0.2495","0.197","","","0.4947","0.5452","","","","","","1.74","","","","has coordinates,has disorder","242361","2020-10-21","18:00:00",""
"4132379","8.2162","0.0001","18.1432","0.0002","9.8241","0.0001","90","","110.383","0.004","90","","1372.76","0.04","150","2","150","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","RajanBabu 1617","","","- C31 H31 Br N Ni O2 P -","- C31 H31 Br N Ni O2 P -","- C62 H62 Br2 N2 Ni2 O4 P2 -","2","1","","Tenneti, Srinivasarao; Biswas, Souvagya; Cox, Glen Adam; Mans, Daniel J.; Lim, Hwan Jung; RajanBabu, T. V.","Broadly Applicable Stereoselective Syntheses of Serrulatane, Amphilectane Diterpenes, and Their Diastereoisomeric Congeners Using Asymmetric Hydrovinylation for Absolute Stereochemical Control.","Journal of the American Chemical Society","2018","140","31","9868","9881","10.1021/jacs.8b03549","","x-ray","0.71073","MoKα","","0.028","0.0237","","","0.0523","0.0538","","","","","","1.029","","","","has coordinates","242362","2020-10-21","18:00:00",""
"4132380","22.0032","0.0015","8.3103","0.0005","22.7142","0.0014","90","","90.349","0.003","90","","4153.3","0.5","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 N2 P -","- C22 H33 N2 P -","- C176 H264 N16 P8 -","8","1","","Borah, Arun Jyoti; Shi, Zhuangzhi","Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization.","Journal of the American Chemical Society","2018","140","19","6062","6066","10.1021/jacs.8b03560","","","0.71073","MoKα","","0.0512","0.0424","","","0.1069","0.1122","","","","","","1.049","","","","has coordinates","242363","2020-10-21","18:00:00",""
"4132381","33.63","0.004","7.9364","0.0009","20.078","0.003","90","","115.091","0.004","90","","4853.2","1.1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H34 N2 O2 -","- C31 H34 N2 O2 -","- C248 H272 N16 O16 -","8","2","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0804","0.0597","","","0.1465","0.1579","","","","","","1.036","","","","has coordinates","242364","2020-10-21","18:00:00",""
"4132382","23.384","0.005","4.7955","0.0011","29.08","0.006","90","","94.542","0.003","90","","3250.7","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C160 H136 N24 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","0.71073","MoKα","","0.0617","0.0515","","","0.1501","0.1647","","","","","","1.135","","","","has coordinates","242365","2020-10-21","18:00:00",""
"4132383","13.6466","0.0003","9.3168","0.0002","27.5704","0.0007","90","","90","","90","","3505.37","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.0761","0.0615","","","0.1617","0.1853","","","","","","1.183","","","","has coordinates","242366","2020-10-21","18:00:00",""
"4132384","19.5302","0.0014","19.5302","0.0014","18.7188","0.0015","90","","90","","90","","7139.9","0.9","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C336 H320 N32 O16 -","16","1","","Wang, Chengdong; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wu, Xiaojin; Loh, Teck-Peng","Palladium-Catalyzed Regiocontrollable Reductive Heck Reaction of Unactivated Aliphatic Alkenes.","Journal of the American Chemical Society","2018","140","30","9332","9336","10.1021/jacs.8b03619","","","1.54178","CuKα","","0.1332","0.1048","","","0.2637","0.2904","","","","","","1.088","","","","has coordinates","242367","2020-10-21","18:00:00",""
"4132385","10.34417","0.00019","16.5497","0.0003","21.0086","0.0004","90","","105.661","0.0008","90","","3463.01","0.11","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H6 B F11 -","- C19 H6 B F11 -","- C152 H48 B8 F88 -","8","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.0739","0.0438","","","0.0987","0.1291","","","","","","1.149","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132386","8.1093","0.0002","12.3368","0.0003","16.6982","0.0003","86.58","0.002","77.534","0.002","86.696","0.002","1626.53","0.06","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","2","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.057","0.0495","","","0.132","0.137","","","","","","1.084","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132387","22.6526","0.0015","7.9132","0.0005","6.8187","0.0004","90","","93.51","0.006","90","","1219.99","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54184","CuKα","","0.097","0.0797","","","0.2038","0.2272","","","","","","1.073","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132388","13.6723","0.00017","7.88868","0.00008","24.841","0.0003","90","","90.7992","0.001","90","","2679","0.05","213","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C128 H88 N8 O40 -","8","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","","1.54187","CuKα","","0.04","0.0365","","","0.099","0.1018","","","","","","1.055","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132389","7.711","0.0005","10.52","0.0006","10.5887","0.0006","64.76","0.006","79.688","0.005","86.397","0.005","764.31","0.09","128","","128","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C30 H26 N2 O8 -","2","1","","Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke","Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","23","7292","7300","10.1021/jacs.8b03626","","x-ray","1.54184","CuKα","","0.0711","0.066","","","0.2731","0.2814","","","","","","1.2819","","","","has coordinates","242368","2020-10-21","18:00:00",""
"4132390","7.082","0.0006","10.1905","0.0008","22.8339","0.0018","90","","90","","90","","1647.9","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Chen, Gen-Qiang; Lin, Bi-Jin; Huang, Jia-Ming; Zhao, Ling-Yu; Chen, Qi-Shu; Jia, Shi-Peng; Yin, Qin; Zhang, Xumu","Design and Synthesis of Chiral oxa-Spirocyclic Ligands for Ir-Catalyzed Direct Asymmetric Reduction of Bringmann's Lactones with Molecular H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","26","8064","8068","10.1021/jacs.8b03642","","x-ray","1.54178","CuKα","","0.0264","0.025","","","0.0627","0.0636","","","","","","1.043","","","","has coordinates","242369","2020-10-21","18:00:00",""
"4132391","26.2885","0.0009","8.8634","0.0003","8.7105","0.0003","90","","94.287","0.002","90","","2023.92","0.12","299","2","299.09","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 I4 N2 O2 Pb -","- C44 H36 I4 N2 O2 Pb -","- C88 H72 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0496","0.0452","","","0.1164","0.1208","","","","","","1.046","","","","has coordinates","242370","2020-10-21","18:00:00",""
"4132392","12.4181","0.0003","12.5652","0.0004","23.8888","0.0007","101.096","0.0019","104.074","0.0019","90.7065","0.0018","3541.18","0.18","299","2","299.11","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 I8 N4 O6 Pb2 -","- C56 H70 I8 N4 O6 Pb2 -","- C112 H140 I16 N8 O12 Pb4 -","2","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0636","0.0429","","","0.098","0.1071","","","","","","1.019","","","","has coordinates,has disorder","242371","2020-10-21","18:00:00",""
"4132393","23.0465","0.001","8.8619","0.0004","8.2792","0.0004","90","","95.2834","0.0019","90","","1683.72","0.13","299","2","299.11","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 I4 N2 O2 Pb -","- C26 H32 I4 N2 O2 Pb -","- C52 H64 I8 N4 O4 Pb2 -","2","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.04","0.0374","","","0.1064","0.1097","","","","","","1.104","","","","has coordinates","242372","2020-10-21","18:00:00",""
"4132394","49.3776","0.0013","8.489","0.0002","9.448","0.0002","90","","94.9453","0.0013","90","","3945.54","0.16","299","2","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H36 I4 N2 O2 Pb -","- C38 H36 I4 N2 O2 Pb -","- C152 H144 I16 N8 O8 Pb4 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0285","0.0238","","","0.0706","0.0739","","","","","","1.087","","","","has coordinates","242373","2020-10-21","18:00:00",""
"4132395","12.4275","0.0003","12.4001","0.0003","48.36","0.0012","90","","95.8609","0.0016","90","","7413.4","0.3","299","","299","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H32 I4 N2 O2 Pb -","- C36 H32 I4 N2 O2 Pb -","- C288 H256 I32 N16 O16 Pb8 -","8","2","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0774","0.068","","","0.175","0.1812","","","","","","1.044","","","","has coordinates","242374","2020-10-21","18:00:00",""
"4132396","12.5228","0.0017","12.4668","0.0017","39.555","0.006","90","","97.668","0.003","90","","6120.1","1.5","296","2","296","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H56 I8 N4 O4 Pb2 -","- C48 H56 I8 N4 O4 Pb2 -","- C192 H224 I32 N16 O16 Pb8 -","4","1","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","0.71073","MoKα","","0.0414","0.0384","","","0.0891","0.0902","","","","","","1.044","","","","has coordinates","242375","2020-10-21","18:00:00",""
"4132397","53.3048","0.0016","6.1727","0.0002","12.5651","0.0004","90","","90.318","0.002","90","","4134.3","0.2","299","2","299.18","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 I4 N2 O2 Pb -","- C40 H40 I4 N2 O2 Pb -","- C160 H160 I16 N8 O8 Pb4 -","4","0.5","","Passarelli, James V.; Fairfield, Daniel J.; Sather, Nicholas A.; Hendricks, Mark P.; Sai, Hiroaki; Stern, Charlotte L.; Stupp, Samuel I.","Enhanced Out-of-Plane Conductivity and Photovoltaic Performance in n = 1 Layered Perovskites through Organic Cation Design.","Journal of the American Chemical Society","2018","140","23","7313","7323","10.1021/jacs.8b03659","","","1.54178","CuKα","","0.0792","0.0551","","","0.1584","0.1835","","","","","","1.068","","","","has coordinates","242376","2020-10-21","18:00:00",""
"4132398","16.45","0.0003","16.45","0.0003","16.45","0.0003","90","","90","","90","","4451.41","0.14","100","","100","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.018","3.445","","","","","","","has coordinates","242377","2020-10-21","18:00:00",""
"4132399","16.65075","0.00017","16.65075","0.00017","16.65075","0.00017","90","","90","","90","","4616.38","0.08","300","","300","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2","","","- C48 H48 Fe12 N72 -","- C48 H48 Fe12 N72 -","- C96 H96 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.007","2.368","","","","","","","has coordinates","242378","2020-10-21","18:00:00",""
"4132400","16.4794","0.0003","16.4794","0.0003","16.4794","0.0003","90","","90","","90","","4475.32","0.14","300","","300","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","Fe(tri)2(BF4)0.33","","","- C48 H48 B4 F16 Fe12 N72 -","- C48 H48 B4 F16 Fe12 N72 -","- C96 H96 B8 F32 Fe24 N144 -","2","0.0104167","","Park, Jesse G.; Aubrey, Michael L.; Oktawiec, Julia; Chakarawet, Khetpakorn; Darago, Lucy E.; Grandjean, Fernande; Long, Gary J.; Long, Jeffrey R.","Charge Delocalization and Bulk Electronic Conductivity in the Mixed-Valence Metal-Organic Framework Fe(1,2,3-triazolate)<sub>2</sub>(BF<sub>4</sub>) <sub>x</sub>.","Journal of the American Chemical Society","2018","140","27","8526","8534","10.1021/jacs.8b03696","powder diffraction","x-ray","0.45241","synchrotron","","","","","","","","","0.017","3.571","","","","","","","has coordinates","242380","2020-10-21","18:00:00",""
"4132401","8.6821","0.0008","9.2577","0.0007","14.8443","0.0012","71.884","0.002","76.084","0.002","79.136","0.002","1092.31","0.16","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","2","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","K-L~3~","0.0483","0.0368","","","0.0863","0.0929","","","","","","1.04","","","","has coordinates","242381","2020-10-21","18:00:00",""
"4132402","9.8385","0.0009","10.1022","0.0009","10.6601","0.0011","65.532","0.002","69.193","0.003","82.563","0.003","901.27","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Gao, De-Wei; Vinogradova, Ekaterina V.; Nimmagadda, Sri Krishna; Medina, Jose M.; Xiao, Yiyang; Suciu, Radu M.; Cravatt, Benjamin F.; Engle, Keary M.","Direct Access to Versatile Electrophiles via Catalytic Oxidative Cyanation of Alkenes.","Journal of the American Chemical Society","2018","140","26","8069","8073","10.1021/jacs.8b03704","","x-ray","0.71073","MoKα","","0.0683","0.054","","","0.1297","0.14","","","","","","1.026","","","","has coordinates","242382","2020-10-21","18:00:00",""
"4132403","9.2425","0.0002","12.1233","0.0004","14.1393","0.0006","100.537","0.003","95.652","0.003","91.759","0.002","1548.09","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","- C84 H60 Cl4 N4 -","1","0.5","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0612","0.056","","","0.1608","0.1684","","","","","","1.046","","","","has coordinates,has disorder","242391","2020-10-21","18:00:00",""
"4132404","11.7244","0.0004","12.9417","0.0005","14.3009","0.0005","83.817","0.003","87.738","0.003","85.372","0.003","2149.23","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H42 Cl2 I2 -","- C55 H42 Cl2 I2 -","- C110 H84 Cl4 I4 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.034","0.0305","","","0.0778","0.0804","","","","","","1.038","","","","has coordinates,has disorder","242392","2020-10-21","18:00:00",""
"4132405","13.7112","0.0002","15.3522","0.0002","16.2553","0.0002","108.701","0.001","107.29","0.001","101.419","0.001","2927.37","0.08","100","0.4","100","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C77 H65 Cl6 -","- C77 H65 Cl6 -","- C154 H130 Cl12 -","2","1","","Ajayakumar, M. R.; Fu, Yubin; Ma, Ji; Hennersdorf, Felix; Komber, Hartmut; Weigand, Jan J.; Alfonsov, Alexey; Popov, Alexey A.; Berger, Reinhard; Liu, Junzhi; Müllen, Klaus; Feng, Xinliang","Toward Full Zigzag-Edged Nanographenes: peri-Tetracene and Its Corresponding Circumanthracene.","Journal of the American Chemical Society","2018","140","20","6240","6244","10.1021/jacs.8b03711","","x-ray","1.54184","CuKα","","0.0484","0.0475","","","0.1339","0.1347","","","","","","1.022","","","","has coordinates,has disorder","242393","2020-10-21","18:00:00",""
"4132406","13.8261","0.0012","3.7274","0.0003","14.4026","0.001","90","","103.628","0.003","90","","721.35","0.1","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Au N2 S8 -","- C8 H6 Au N2 S8 -","- C16 H12 Au2 N4 S16 -","2","0.5","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0732","0.0624","","","0.1228","0.1261","","","","","","1.383","","","","has coordinates","242394","2020-10-21","18:00:00",""
"4132407","22.294","0.007","6.3477","0.0018","18.974","0.005","90","","111.118","0.011","90","","2504.8","1.3","100","","100","","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","","","","- C16 H26 Au N3 S8 -","- C16 H26 Au N3 S8 -","- C64 H104 Au4 N12 S32 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Auban-Senzier, Pascale; Bellec, Nathalie; Íñiguez, Jorge; Canadell, Enric; Lorcy, Dominique","Stable Metallic State of a Neutral-Radical Single-Component Conductor at Ambient Pressure.","Journal of the American Chemical Society","2018","140","22","6998","7004","10.1021/jacs.8b03714","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0499","0.0509","","","","","","0.961","","","","has coordinates,has disorder","242395","2020-10-21","18:00:00",""
"4132408","17.479","0.003","36.198","0.006","18.614","0.003","90","","108.768","0.006","90","","11151","3","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C92 H78 B8 F32 Fe4 N34 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1241","0.075","","","0.1916","0.235","","","","","","1.106","","","","has coordinates,has disorder","242396","2020-10-21","18:00:00",""
"4132409","21.6393","0.0013","21.6393","0.0013","21.1688","0.0015","90","","90","","90","","9912.5","1.1","120","2","120","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C88 H84 B4 F16 N32 O8 Zn4 -","- C88 H76 B4 F16 N32 O4 Zn4 -","- C352 H304 B16 F64 N128 O16 Zn16 -","4","0.25","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.0623","0.0604","","","0.1574","0.1589","","","","","","1.138","","","","has coordinates","242397","2020-10-21","18:00:00",""
"4132410","26.4577","0.001","17.6215","0.0007","27.3241","0.0011","90","","116.132","0.002","90","","11437","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H91 B6 F24 Fe4 N40 -","- C416 H364 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1079","0.0758","","","0.1922","0.2165","","","","","","1.013","","","","has coordinates,has disorder","242398","2020-10-21","18:00:00",""
"4132411","17.5399","0.0008","25.9317","0.0011","28.7826","0.0012","90","","116.955","0.003","90","","11669.2","0.9","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H104 B4 F16 Fe4 N44 -","- C96 H80 B4 F16 Fe4 N36 -","- C384 H320 B16 F64 Fe16 N144 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1271","0.0921","","","0.2415","0.2586","","","","","","1.064","","","","has coordinates,has disorder","242399","2020-10-21","18:00:00",""
"4132412","19.5838","0.0005","35.646","0.001","18.5501","0.0005","90","","110.798","0.002","90","","12105.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H81 B8 F32 N35 Zn4 -","- C94 H81 B8 F32 N35 Zn4 -","- C376 H324 B32 F128 N140 Zn16 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","1.54178","CuKα","","0.1458","0.1211","","","0.2573","0.2674","","","","","","1.045","","","","has coordinates,has disorder","242400","2020-10-21","18:00:00",""
"4132413","20.0311","0.0015","35.23","0.003","18.0924","0.0014","90","","111.188","0.004","90","","11904.6","1.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H90 B8 F32 Fe4 N38 -","- C92 H78 B8 F32 Fe4 N34 -","- C368 H312 B32 F128 Fe16 N136 -","4","0.5","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1052","0.0926","","","0.2441","0.2538","","","","","","1.078","","","","has coordinates,has disorder","242401","2020-10-21","18:00:00",""
"4132414","26.948","0.002","17.7359","0.0015","27.532","0.002","90","","115.376","0.004","90","","11889.2","1.6","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H94 B6 F24 Fe4 N40 -","- C104 H94 B6 F24 Fe4 N40 -","- C416 H376 B24 F96 Fe16 N160 -","4","1","","Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie","Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex.","Journal of the American Chemical Society","2018","140","26","8218","8227","10.1021/jacs.8b03735","","","0.71073","MoKα","","0.1363","0.0703","","","0.1622","0.1915","","","","","","1.023","","","","has coordinates,has disorder","242402","2020-10-21","18:00:00",""
"4132415","12.4165","0.0008","33.602","0.002","19.7243","0.0014","90","","101.313","0.002","90","","8069.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FS-III-162","","","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C62.5 H138 Cl3.5 N5.5 P6 Re3 -","- C250 H552 Cl14 N22 P24 Re12 -","4","1","","Lindley, Brian M.; van Alten, Richt S.; Finger, Markus; Schendzielorz, Florian; Würtele, Christian; Miller, Alexander J. M.; Siewert, Inke; Schneider, Sven","Mechanism of Chemical and Electrochemical N<sub>2</sub> Splitting by a Rhenium Pincer Complex.","Journal of the American Chemical Society","2018","140","25","7922","7935","10.1021/jacs.8b03755","","","0.71073","MoKα","","0.1113","0.0639","","","0.1178","0.1328","","","","","","1.077","","","","has coordinates,has disorder","242403","2020-10-21","18:00:00",""
"4132416","10.3008","0.0004","11.0103","0.0004","11.3288","0.0004","90","","91.595","0.001","90","","1284.36","0.08","302","2","302.26","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0696","0.0501","","","0.1052","0.1134","","","","","","1.052","","","","has coordinates","242404","2020-10-21","18:00:00",""
"4132417","5.6586","0.0001","12.5761","0.0003","25.22","0.0005","90","","90","","90","","1794.73","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0426","0.0371","","","0.0921","0.0958","","","","","","1.058","","","","has coordinates","242405","2020-10-21","18:00:00",""
"4132418","8.385","0.002","12.444","0.003","16.636","0.004","90","","90","","90","","1735.8","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0509","0.0427","","","0.1151","0.1234","","","","","","1.086","","","","has coordinates","242406","2020-10-21","18:00:00",""
"4132419","20.913","0.006","20.913","0.006","10.05","0.003","90","","90","","120","","3806.5","1.9","273","2","273.15","","","","","","","","","6","P 65","P 65","170","","","","- C27 H22 Cl2 N2 O Pd -","- C27 H22 Cl2 N2 O Pd -","- C162 H132 Cl12 N12 O6 Pd6 -","6","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.1087","0.0599","","","0.1048","0.1236","","","","","","1.054","","","","has coordinates","242407","2020-10-21","18:00:00",""
"4132420","12.3113","0","17.1071","0.0002","17.4051","0.0002","95.068","0.011","109.078","0.019","109.676","0.01","3180","0.6","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C64.77 H76.77 Cl2.31 Si4 -","- C64.77 H76.77 Cl2.31 Si4 -","- C129.54 H153.54 Cl4.62 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0484","0.0458","","","0.126","0.1279","","","","","","1.062","","","","has coordinates,has disorder","242408","2020-10-21","18:00:00",""
"4132421","20.8371","0.0004","21.9323","0.0004","22.9286","0.0004","88.53","0.002","84.69","0.001","89.064","0.002","10429.1","0.3","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C456 H600 Si24 -","6","3","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.1366","0.1096","","","0.2708","0.2878","","","","","","1.072","","","","has coordinates,has disorder","242409","2020-10-21","18:00:00",""
"4132422","14.0525","0.0012","33.864","0.003","30.643","0.003","90","","90.53","0.004","90","","14582","2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C153.55 H203.1 Cl3.1 Si8 -","- C153.55 H203.1 Cl3.1 Si8 -","- C614.2 H812.4 Cl12.4 Si32 -","4","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.1061","0.0984","","","0.2543","0.2604","","","","","","1.044","","","","has coordinates,has disorder","242410","2020-10-21","18:00:00",""
"4132423","17.765","0.002","19.556","0.002","34.096","0.004","91.567","0.007","102.628","0.004","94.744","0.002","11507","2","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H76 Si4 -","- C64 H76 Si4 -","- C512 H608 Si32 -","8","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0623","0.0565","","","0.1628","0.166","","","","","","1.021","","","","has coordinates,has disorder","242411","2020-10-21","18:00:00",""
"4132424","9.7656","0.0011","16.3229","0.0017","16.4044","0.0017","106.021","0.0017","92.4568","0.0018","96.7633","0.0018","2488.1","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52.3 H52.6 Cl0.6 Si4 -","- C52.3 H52.6 Cl0.6 Si4 -","- C104.6 H105.2 Cl1.2 Si8 -","2","1","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","0.71073","MoKα","","0.0779","0.0526","","","0.1142","0.1263","","","","","","1.047","","","","has coordinates,has disorder","242412","2020-10-21","18:00:00",""
"4132425","28.0973","0.0011","34.31","0.0017","30.1231","0.001","90","","90.564","0.002","90","","29038","2","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 Si4 -","- C76 H100 Si4 -","- C1216 H1600 Si64 -","16","4","","Yamakado, Takuya; Otsubo, Kazuya; Osuka, Atsuhiro; Saito, Shohei","Compression of a Flapping Mechanophore Accompanied by Thermal Void Collapse in a Crystalline Phase.","Journal of the American Chemical Society","2018","140","20","6245","6248","10.1021/jacs.8b03833","","","1.54187","CuKα","","0.0702","0.0652","","","0.1783","0.1827","","","","","","1.014","","","","has coordinates,has disorder","242413","2020-10-21","18:00:00",""
"4132426","7.076","0.002","9.231","0.003","12.242","0.004","95.341","0.007","105.299","0.007","97.97","0.008","756.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O6 -","- C11 H16 N6 O6 -","- C22 H32 N12 O12 -","2","1","","Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei","Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly.","Journal of the American Chemical Society","2018","140","34","10734","10739","10.1021/jacs.8b03867","","","0.71073","MoKα","","0.1088","0.0631","","","0.1644","0.1838","","","","","","1.061","","","","has coordinates","242414","2020-10-21","18:00:00",""
"4132427","16.3144","0.0013","17.0403","0.0013","18.0957","0.0014","105.937","0.002","90.656","0.003","111.646","0.002","4460.3","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H72 Cr2 F12 Fe2 N28 O10 P2 -","- C72 H68 Cr2 F12 Fe2 N28 O10 P2 -","- C144 H136 Cr4 F24 Fe4 N56 O20 P4 -","2","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.1293","0.0675","","0.1072","0.0712","0.0657","","","","","","1.1351","","","","has coordinates","242415","2020-10-21","18:00:00",""
"4132428","17.9823","0.0008","23.0229","0.001","17.6605","0.0008","90","","93.5112","0.0016","90","","7297.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H53 Cr2 Fe N21 O6 -","- C61 H53 Cr2 Fe N21 O6 -","- C244 H212 Cr8 Fe4 N84 O24 -","4","1","","Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal","Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.","Journal of the American Chemical Society","2018","140","24","7698","7704","10.1021/jacs.8b03891","","","0.71073","MoKα","","0.0408","0.0348","","0.0445","0.0353","0.0345","","","","","","1.0632","","","","has coordinates","242416","2020-10-21","18:00:00",""
"4132429","12.1932","0.0009","12.7204","0.0009","22.2152","0.0016","100.886","0.0013","104.395","0.0014","95.5327","0.0014","3240","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 K N2 Np O6 Si6 -","- C51 H99 K N2 Np O6 Si6 -","- C102 H198 K2 N4 Np2 O12 Si12 -","2","1","","Su, Jing; Windorff, Cory J.; Batista, Enrique R.; Evans, William J.; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.; Woen, David H.; Yang, Ping","Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np<sup>II</sup>[C<sub>5</sub>H<sub>3</sub>(SiMe<sub>3</sub>)<sub>2</sub>]<sub>3</sub>}<sup>1</sup>.","Journal of the American Chemical Society","2018","140","24","7425","7428","10.1021/jacs.8b03907","","","0.71073","MoKα","","0.034","0.0288","","","0.0621","0.0635","","","","","","1.259","","","","has coordinates","242417","2020-10-21","18:00:00",""
"4132430","12.03","0.0005","10.6729","0.0004","25.4912","0.0009","90","","97.675","0.001","90","","3243.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cl8 N O P2 Ru -","- C22 H37 Cl8 N O P2 Ru -","- C88 H148 Cl32 N4 O4 P8 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0404","0.0304","","","0.0659","0.0698","","","","","","0.994","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132431","8.8526","0.0005","8.5443","0.0004","27.4092","0.0013","90","","96.433","0.005","90","","2060.16","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C84 H108 N8 O8 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0455","0.0333","","","0.0678","0.0705","","","","","","1.088","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132432","12.0886","0.0006","13.2869","0.0011","26.5089","0.0013","90","","90","","90","","4257.9","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N2 O2 P Ru -","- C21 H27 N2 O2 P Ru -","- C168 H216 N16 O16 P8 Ru8 -","8","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0544","0.039","","","0.0762","0.0804","","","","","","1.074","","","","has coordinates","242418","2020-10-21","18:00:00",""
"4132433","13.1954","0.0007","15.1605","0.0008","14.1886","0.0007","90","","108.745","0.002","90","","2687.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Cl5 N2 O P Ru -","- C21 H28 Cl5 N2 O P Ru -","- C84 H112 Cl20 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0389","0.0282","","","0.0597","0.0639","","","","","","1.017","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132434","7.9533","0.0005","15.2254","0.0009","17.5833","0.001","90","","94.438","0.001","90","","2122.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N2 O P Ru -","- C20 H27 Cl2 N2 O P Ru -","- C80 H108 Cl8 N8 O4 P4 Ru4 -","4","1","","Zeng, Rong; Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","CO Oxidation by N<sub>2</sub>O Homogeneously Catalyzed by Ruthenium Hydride Pincer Complexes Indicating a New Mechanism.","Journal of the American Chemical Society","2018","140","23","7061","7064","10.1021/jacs.8b03927","","","0.71073","MoKα","","0.0432","0.0348","","","0.0697","0.0721","","","","","","1.222","","","","has coordinates,has disorder","242418","2020-10-21","18:00:00",""
"4132435","8.943","0.005","10.923","0.006","11.682","0.006","90","","90","","90","","1141.1","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl Fe N2 -","- C11 H13 Cl Fe N2 -","- C44 H52 Cl4 Fe4 N8 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0237","0.0231","","","0.0603","0.0612","","","","","","1.02","","","","has coordinates","242419","2020-10-21","18:00:00",""
"4132436","9.842","0.002","13.966","0.003","12.181","0.003","90","","90","","90","","1674.3","0.6","200","2","200","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C14 H20 F6 Fe N P -","- C14 H20 F6 Fe N P -","- C56 H80 F24 Fe4 N4 P4 -","4","0.5","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0595","0.0518","","","0.1401","0.1484","","","","","","1.003","","","","has coordinates,has disorder","242420","2020-10-21","18:00:00",""
"4132437","18.8753","0.0007","10.9829","0.0004","8.5634","0.0003","90","","90","","90","","1775.24","0.11","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 B2 F8 Fe N -","- C14 H20 B2 F8 Fe N -","- C56 H80 B8 F32 Fe4 N4 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","1.54184","CuKα","","0.0548","0.0427","","","0.0987","0.1043","","","","","","1.014","","","","has coordinates","242421","2020-10-21","18:00:00",""
"4132438","30.43","0.006","31.273","0.006","32.258","0.007","117.87","0.03","104.25","0.03","104.17","0.03","23870","16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C198 H239 F24 N40 O3 P4 Pd8 S3 -","- C396 H478 F48 N80 O6 P8 Pd16 S6 -","2","1","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0925","0.0803","","","0.2426","0.2575","","","","","","1.089","","","","has coordinates","242422","2020-10-21","18:00:00",""
"4132439","22.184","0.004","23.316","0.005","24.414","0.005","107.21","0.03","103.15","0.03","91.64","0.03","11684","5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C200 H250 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","- C200 H248 F36 N42 O10 P6 Pd8 S4 -","1","0.5","","Howlader, Prodip; Mondal, Bijnaneswar; Purba, Prioti Choudhury; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembled Pd(II) Barrels as Containers for Transient Merocyanine Form and Reverse Thermochromism of Spiropyran.","Journal of the American Chemical Society","2018","140","25","7952","7960","10.1021/jacs.8b03946","","","0.7","synchrotron","","0.0679","0.0557","","","0.1741","0.1817","","","","","","1.003","","","","has coordinates,has disorder","242423","2020-10-21","18:00:00",""
"4132440","16.183","0.003","9.4935","0.0016","13.961","0.002","90","","104.871","0.01","90","","2073","0.6","250","","250.08","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0946","0.0727","","","0.1927","0.2055","","","","","","1.032","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132441","16.1004","0.0014","9.3394","0.0008","13.8165","0.0013","90","","104.971","0.005","90","","2007","0.3","100","","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(NMe4)2CAFeCl2_100K","","- C14 H24 Cl4 Fe N2 O4 -","- C14 H24 Cl4 Fe N2 O4 -","- C56 H96 Cl16 Fe4 N8 O16 -","4","0.5","","DeGayner, Jordan A.; Wang, Kunyu; Harris, T. David","A Ferric Semiquinoid Single-Chain Magnet via Thermally-Switchable Metal-Ligand Electron Transfer.","Journal of the American Chemical Society","2018","140","21","6550","6553","10.1021/jacs.8b03949","","","0.71073","MoKα","","0.0961","0.0653","","","0.1748","0.1915","","","","","","1.071","","","","has coordinates","242424","2020-10-21","18:00:00",""
"4132442","12.9445","0.0015","20.055","0.002","17.771","0.002","90","","107.513","0.003","90","","4399.5","0.8","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H71 N4 O Y -","- C45 H71 N4 O Y -","- C180 H284 N16 O4 Y4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.1247","0.0644","","","0.1318","0.1616","","","","","","1.046","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132443","14.6844","0.0014","16.2869","0.0016","17.6979","0.0016","90","","90","","90","","4232.7","0.7","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61 Lu N2 O2 Si -","- C44 H61 Lu N2 O2 Si -","- C176 H244 Lu4 N8 O8 Si4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.0251","0.0207","","","0.0431","0.0439","","","","","","0.975","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132444","18.829","0.0008","5.8347","0.0003","18.4856","0.0008","90","","98.902","0.002","90","","2006.39","0.16","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H19 F3 O10 -","- C15 H19 F3 O10 -","- C60 H76 F12 O40 -","4","1","","Zhou, Min; Ni, Chuanfa; Zeng, Yuwen; Hu, Jinbo","Trifluoromethyl Benzoate: A Versatile Trifluoromethoxylation Reagent.","Journal of the American Chemical Society","2018","140","22","6801","6805","10.1021/jacs.8b04000","","","1.54178","CuKα","","0.0779","0.0715","","","0.2193","0.2338","","","","","","1.069","","","","has coordinates,has disorder","242426","2020-10-21","18:00:00",""
"4132445","38.91","0.003","8.4458","0.0005","8.342","0.0006","90","","90","","90","","2741.4","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.5","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.1042","0.0908","","","0.2297","0.2516","","","","","","1.038","","","","has coordinates","242427","2020-10-21","18:00:00",""
"4132446","39.303","0.004","8.4726","0.0004","8.4483","0.0005","90","","90","","90","","2813.3","0.4","330","2","330","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C9 H29 Br7 N4 Pb2 -","- C9 H29 Br7 N4 Pb2 -","- C36 H116 Br28 N16 Pb8 -","4","0.25","","Li, Lina; Shang, Xiaoying; Wang, Sasa; Dong, Ningning; Ji, Chengmin; Chen, Xueyuan; Zhao, Sangen; Wang, Jun; Sun, Zhihua; Hong, Maochun; Luo, Junhua","Bilayered Hybrid Perovskite Ferroelectric with Giant Two-Photon Absorption.","Journal of the American Chemical Society","2018","140","22","6806","6809","10.1021/jacs.8b04014","","","0.71073","MoKα","","0.0678","0.0453","","","0.1164","0.1304","","","","","","1.03","","","","has coordinates","242428","2020-10-21","18:00:00",""
"4132447","6.9976","0.001","11.0632","0.0016","15.736","0.002","87.487","0.003","79.01","0.003","73.201","0.003","1144.8","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 Cl I N O4 -","- C21 H27 Cl I N O4 -","- C42 H54 Cl2 I2 N2 O8 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0388","0.0352","","","0.0896","0.092","","","","","","1.148","","","","has coordinates","242429","2020-10-21","18:00:00",""
"4132448","7.0926","0.0003","10.7908","0.0004","20.6337","0.0009","90","","96.016","0.002","90","","1570.5","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H56 O3 Si2 -","- C29 H56 O3 Si2 -","- C58 H112 O6 Si4 -","2","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0318","0.0311","","","0.083","0.0838","","","","","","1.127","","","","has coordinates","242430","2020-10-21","18:00:00",""
"4132449","9.8887","0.0006","14.8615","0.0008","19.586","0.0011","73.101","0.003","80.806","0.003","74.567","0.003","2644.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 Br O3 -","- C19 H27 Br O3 -","- C114 H162 Br6 O18 -","6","3","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0304","0.0256","","","0.0662","0.0687","","","","","","1.057","","","","has coordinates","242431","2020-10-21","18:00:00",""
"4132450","19.2746","0.0009","7.6362","0.0002","20.2859","0.0006","90","","101.507","0.001","90","","2925.76","0.18","100","1","100","1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C128 H160 Cl8 N8 O8 -","8","2","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0288","0.0269","","","0.071","0.0723","","","","","","1.043","","","","has coordinates","242432","2020-10-21","18:00:00",""
"4132451","9.3356","0.0003","10.3523","0.0003","27.244","0.0009","90","","90","","90","","2632.99","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl N O5 -","- C26 H36 Cl N O5 -","- C104 H144 Cl4 N4 O20 -","4","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0315","0.0307","","","0.0772","0.0779","","","","","","1.02","","","","has coordinates,has disorder","242433","2020-10-21","18:00:00",""
"4132452","9.9954","0.0007","11.9031","0.0008","18.5973","0.0011","78.224","0.003","85.522","0.003","77.125","0.003","2110.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","ain7165","","","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C29 H37 Cl4 Co4 Mn N4 O19 -","- C58 H74 Cl8 Co8 Mn2 N8 O38 -","2","1","","Nguyen, Andy I.; Darago, Lucy E.; Balcells, David; Tilley, T. Don","Influence of a ""Dangling"" Co(II) Ion Bound to a [MnCo<sub>3</sub>O<sub>4</sub>] Oxo Cubane.","Journal of the American Chemical Society","2018","140","29","9030","9033","10.1021/jacs.8b04065","","","0.71073","MoKα","","0.0962","0.0877","","","0.2187","0.2222","","","","","","1.278","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132453","9.5521","0.0003","9.1531","0.0003","16.1386","0.0005","90","","91.007","0.001","90","","1410.8","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","JYW-1-177","hartwig126","","- C29 H54 P2 Pd -","- C29 H54 P2 Pd -","- C58 H108 P4 Pd2 -","2","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","1.54178","CuKα","","0.0563","0.0556","","","0.127","0.1273","","","","","","1.365","","","","has coordinates,has disorder","242435","2020-10-21","18:00:00",""
"4132454","10.7443","0.0005","21.9962","0.0011","25.3867","0.0012","90","","95.498","0.003","90","","5972.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jyw-296","hartwig151","","- C55 H101 B F4 O P4 Pd2 -","- C55 H101 B F4 O P4 Pd2 -","- C220 H404 B4 F16 O4 P16 Pd8 -","4","1","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.1513","0.1133","","","0.266","0.2888","","","","","","1.032","","","","has coordinates","242436","2020-10-21","18:00:00",""
"4132455","14.5802","0.0008","23.5092","0.0015","8.5138","0.0006","90","","90","","90","","2918.3","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","jyw-241","hartwig134","","- C29 H50 O2 P2 Pd -","- C29 H50 O2 P2 Pd -","- C116 H200 O8 P8 Pd4 -","4","0.5","","Wang, Justin Y.; Strom, Alexandra E.; Hartwig, John F.","Mechanistic Studies of Palladium-Catalyzed Aminocarbonylation of Aryl Chlorides with Carbon Monoxide and Ammonia.","Journal of the American Chemical Society","2018","140","25","7979","7993","10.1021/jacs.8b04073","","","0.71073","MoKα","","0.0352","0.0295","","","0.0679","0.0703","","","","","","1.104","","","","has coordinates","242437","2020-10-21","18:00:00",""
"4132456","9.8814","0.0003","11.6523","0.0004","16.7557","0.0005","108.751","0.001","103.739","0.001","94.839","0.001","1747.31","0.1","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H49 Au Cl F6 N P Sb -","- C36 H49 Au Cl F6 N P Sb -","- C72 H98 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0286","0.0258","","","0.0626","0.0643","","","","","","1.031","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132457","11.492","0.002","19.277","0.003","13.003","0.002","90","","99.819","0.005","90","","2838.4","0.8","100","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 B10 N4 P2 -","- C18 H46 B10 N4 P2 -","- C72 H184 B40 N16 P8 -","4","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","K-L~3~","0.0619","0.0418","","","0.0958","0.1062","","","","","","1.023","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132458","20.8838","0.001","17.9885","0.001","18.4736","0.001","90","","90","","90","","6939.9","0.6","100","","100","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C64 H88 Au2 Cl6 F12 N2 P2 Sb2 -","- C256 H352 Au8 Cl24 F48 N8 P8 Sb8 -","4","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0913","0.0468","","","0.1034","0.1292","","","","","","1.059","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132459","10.0473","0.0012","11.3493","0.0014","17.4404","0.0018","100.731","0.004","103.7","0.004","99.465","0.004","1852.5","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H47 Au Cl F6 N P Sb -","- C38 H47 Au Cl F6 N P Sb -","- C76 H94 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0443","0.0359","","","0.0734","0.0762","","","","","","1.033","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132460","10.3978","0.0004","10.8778","0.0004","17.7061","0.0007","90.465","0.001","90.583","0.001","94.133","0.001","1997.26","0.13","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","- C70 H95 Au2 Cl6 F18 N2 O2 P2 Sb3 -","1","0.5","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0411","0.0294","","","0.0529","0.056","","","","","","1.01","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132461","10.2214","0.0004","11.5151","0.0004","16.2248","0.0006","108.902","0.001","99.944","0.001","100.426","0.001","1721.07","0.11","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H44 Au Cl0.86 F9 I0.14 N P Sb -","- C35 H44 Au Cl0.8595 F9 I0.1405 N P Sb -","- C70 H88 Au2 Cl1.719 F18 I0.281 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0459","0.0326","","","0.0604","0.0644","","","","","","1.035","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132462","10.182","0.001","11.4038","0.0013","16.3043","0.0016","109.033","0.004","100.165","0.003","100.426","0.004","1702.7","0.3","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C34 H44 Au Br Cl0.77 F6 I0.23 N P Sb -","- C34 H44 Au Br Cl0.7697 F6 I0.2303 N P Sb -","- C68 H88 Au2 Br2 Cl1.5394 F12 I0.4606 N2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0348","0.0276","","","0.0582","0.0604","","","","","","1.028","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132463","10.0238","0.0006","11.7115","0.0007","16.7522","0.0011","106.082","0.002","106.45","0.002","97.925","0.002","1761.66","0.19","100","","100","","","","","","","","","10","P -1","-P 1","2","","","","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C35 H44 Au Cl0.95 F9 I0.05 N O P Sb -","- C70 H88 Au2 Cl1.9 F18 I0.1 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0327","0.0267","","","0.0587","0.0611","","","","","","1.026","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132464","10.0424","0.0011","12.023","0.0013","19.663","0.002","101.463","0.003","101.135","0.003","100.103","0.003","2225.8","0.4","100","2","100","","","","","","","","","10","P -1","-P 1","2","","","","- C45 H49 Au Cl0.85 F6 I0.15 N O P Sb -","- C45 H49 Au Cl0.851 F6 I0.149 N O P Sb -","- C90 H98 Au2 Cl1.702 F12 I0.298 N2 O2 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","","0.71073","MoKα","","0.0624","0.046","","","0.0956","0.1054","","","","","","1.114","","","","has coordinates,has disorder","242438","2020-10-21","18:00:00",""
"4132465","9.5384","0.001","13.2116","0.0013","15.7777","0.0011","112.015","0.002","105.708","0.002","91.052","0.003","1758.4","0.3","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C34 H47 Au Cl F6 N O2 P Sb -","- C34 H47 Au Cl F6 N O2 P Sb -","- C68 H94 Au2 Cl2 F12 N2 O4 P2 Sb2 -","2","1","","Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.","Organometallic Gold(III) Reagents for Cysteine Arylation.","Journal of the American Chemical Society","2018","140","23","7065","7069","10.1021/jacs.8b04115","","x-ray","0.71073","MoKα","","0.0337","0.0256","","","0.0516","0.0543","","","","","","1.024","","","","has coordinates","242438","2020-10-21","18:00:00",""
"4132466","10.8154","0.0005","18.7822","0.001","11.4495","0.0006","90","","109.742","0.001","90","","2189.11","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Fe O3 -","- C28 H26 Fe O3 -","- C112 H104 Fe4 O12 -","4","1","","Dong, Zhe; Lu, Gang; Wang, Jianchun; Liu, Peng; Dong, Guangbin","Modular ipso/ ortho Difunctionalization of Aryl Bromides via Palladium/Norbornene Cooperative Catalysis.","Journal of the American Chemical Society","2018","140","27","8551","8562","10.1021/jacs.8b04153","","","0.71073","MoKα","","0.0481","0.0341","","","0.0737","0.0788","","","","","","1.038","","","","has coordinates","242439","2020-10-21","18:00:00",""
"4132467","11.1681","0.0005","20.1957","0.0009","20.2872","0.0009","100.49","0.001","94.456","0.001","97.41","0.001","4437.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H138 Cl8 N6 O5 Pt -","- C82 H138 Cl8 N6 O5 Pt -","- C164 H276 Cl16 N12 O10 Pt2 -","2","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.031","0.0251","","","0.0586","0.0616","","","","","","1.071","","","","has coordinates,has disorder","242440","2020-10-21","18:00:00",""
"4132468","9.9014","0.0005","11.376","0.0006","14.3487","0.0009","95.5136","0.0019","106.474","0.0013","96.7739","0.0014","1524.74","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","- C61 H68 Au Br4 Cl3 N4 O7 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0284","0.0251","","","0.0668","0.0687","","","","","","1.062","","","","has coordinates,has disorder","242441","2020-10-21","18:00:00",""
"4132469","21.626","0.003","15.426","0.002","22.964","0.003","90","","90","","90","","7660.9","1.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Cl13 N5 O4 -","- C67 H99 Au Cl13 N5 O4 -","- C268 H396 Au4 Cl52 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.047","0.0274","","","0.0526","0.0578","","","","","","1.015","","","","has coordinates","242442","2020-10-21","18:00:00",""
"4132470","17.2894","0.0003","11.2213","0.0002","27.5815","0.0007","90","","90","","90","","5351.07","0.19","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52.5 H73 Cl N4 O6 S2 -","- C52.5 H73 Cl N4 O6 S2 -","- C210 H292 Cl4 N16 O24 S8 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","1.54184","CuKα","","0.0816","0.0724","","","0.1954","0.2057","","","","","","1.057","","","","has coordinates,has disorder","242443","2020-10-21","18:00:00",""
"4132471","21.768","0.003","15.419","0.002","23.157","0.003","90","","90","","90","","7772.4","1.8","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C67 H99 Au Br4 Cl9 N5 O4 -","- C67 H99 Au Br4 Cl9 N5 O4 -","- C268 H396 Au4 Br16 Cl36 N20 O16 -","4","1","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0687","0.0462","","","0.1053","0.1163","","","","","","1.034","","","","has coordinates","242444","2020-10-21","18:00:00",""
"4132472","11.4123","0.0007","13.8383","0.0008","14.9653","0.0009","102.685","0.002","95.062","0.002","112.999","0.002","2082.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","- C80 H132 Cl6 N6 O4 Pd2 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0514","0.041","","","0.1049","0.1106","","","","","","1.034","","","","has coordinates","242445","2020-10-21","18:00:00",""
"4132473","9.4815","0.0013","11.0063","0.0015","14.569","0.0019","83.563","0.002","83.05","0.002","80.654","0.002","1482.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","- C58 H59 Au Cl10 N4 O6 -","1","0.5","","Liu, Wenqi; Oliver, Allen G.; Smith, Bradley D.","Macrocyclic Receptor for Precious Gold, Platinum, or Palladium Coordination Complexes.","Journal of the American Chemical Society","2018","140","22","6810","6813","10.1021/jacs.8b04155","","","0.71073","MoKα","","0.0377","0.035","","","0.0856","0.0871","","","","","","1.035","","","","has coordinates","242446","2020-10-21","18:00:00",""
"4132474","9.55","0.002","31.109","0.008","19.849","0.005","90","","90.768","0.003","90","","5896","2","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 Cu F6 N9 P Zn -","- C63 H46 Cu F6 N9 P Zn -","- C252 H184 Cu4 F24 N36 P4 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.06","0.0541","","","0.1206","0.124","","","","","","1.195","","","","has coordinates,has disorder","242447","2020-10-21","18:00:00",""
"4132475","14.1151","0.0006","18.5419","0.0008","19.9898","0.0008","90","","90.583","0.002","90","","5231.5","0.4","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H48 Cl2 Cu N9 Zn -","- C64 H48 Cl2 Cu N9 Zn -","- C256 H192 Cl8 Cu4 N36 Zn4 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0721","0.0461","","","0.092","0.105","","","","","","1.04","","","","has coordinates","242448","2020-10-21","18:00:00",""
"4132476","19.4349","0.0007","11.9765","0.0004","14.9472","0.0005","90","","91.307","0.002","90","","3478.2","0.2","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C58 H54 Cu2 F6 Fe4 N12 O10 P S4 -","- C116 H108 Cu4 F12 Fe8 N24 O20 P2 S8 -","2","0.5","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","1.54178","CuKα","","0.0687","0.0584","","","0.146","0.1526","","","","","","1.086","","","","has coordinates,has disorder","242449","2020-10-21","18:00:00",""
"4132477","8.954","0.003","13.437","0.004","24.882","0.008","90","","90","","90","","2993.7","1.7","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cu Fe2 N5 O5 S2 -","- C27 H24 Cu Fe2 N5 O5 S2 -","- C108 H96 Cu4 Fe8 N20 O20 S8 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0725","0.0634","","","0.1261","0.13","","","","","","1.126","","","","has coordinates","242450","2020-10-21","18:00:00",""
"4132478","11.416","0.003","11.745","0.003","12.139","0.003","76.321","0.011","70.418","0.01","83.516","0.011","1489","0.7","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 P2 -","- C27 H43 Al Cl N3 P2 -","- C54 H86 Al2 Cl2 N6 P4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0592","0.0391","","","0.0918","0.1002","","","","","","0.973","","","","has coordinates","242451","2020-10-21","18:00:00",""
"4132479","16.1981","","11.3885","","18.3501","","90","","106.008","","90","","3253.82","","143","","143","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 Al N4 P2 Rh -","- C32 H47 Al N4 P2 Rh -","- C128 H188 Al4 N16 P8 Rh4 -","4","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.056","0.045","","","0.1322","0.1409","","","","","","0.975","","","","has coordinates,has disorder","242452","2020-10-21","18:00:00",""
"4132480","9.0006","0.0014","15.272","0.003","22.694","0.004","85.964","0.004","84.286","0.005","86.941","0.005","3092.9","0.9","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C58 H86 Al2 N6 O4 P4 Rh2 -","- C116 H172 Al4 N12 O8 P8 Rh4 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0771","0.0524","","","0.1018","0.1146","","","","","","1.045","","","","has coordinates,has disorder","242453","2020-10-21","18:00:00",""
"4132481","11.1835","0.0015","12.0058","0.0016","13.1647","0.0017","79.115","0.004","76.906","0.004","81.612","0.004","1680.8","0.4","143","","143","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H45 Al Cl4 N3 P2 Rh -","- C28 H45 Al Cl4 N3 P2 Rh -","- C56 H90 Al2 Cl8 N6 P4 Rh2 -","2","1","","Hara, Naofumi; Saito, Teruhiko; Semba, Kazuhiko; Kuriakose, Nishamol; Zheng, Hong; Sakaki, Shigeyoshi; Nakao, Yoshiaki","Rhodium Complexes Bearing PAlP Pincer Ligands.","Journal of the American Chemical Society","2018","140","23","7070","7073","10.1021/jacs.8b04199","","","0.71075","MoKα","","0.0426","0.031","","","0.0615","0.0652","","","","","","0.948","","","","has coordinates","242454","2020-10-21","18:00:00",""
"4132482","22.96","0.004","20.862","0.003","19.584","0.003","90","","97.508","0.002","90","","9300","3","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H108 Au14 Cd S12 -","- C48 H108 Au14 Cd S12 -","- C192 H432 Au56 Cd4 S48 -","4","0.5","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1033","0.054","","","0.1287","0.1403","","","","","","0.985","","","","has coordinates,has disorder","242455","2020-10-21","18:00:00",""
"4132483","16.476","0.002","16.719","0.002","30.157","0.004","80.994","0.002","82.064","0.002","62.481","0.002","7255.9","1.6","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C123 H185 Au14 Cd Cl6 S12 -","- C123 H185 Au14 Cd Cl6 S12 -","- C246 H370 Au28 Cd2 Cl12 S24 -","2","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","0.71073","MoKα","","0.1413","0.0679","","","0.1542","0.1719","","","","","","1.002","","","","has coordinates,has disorder","242456","2020-10-21","18:00:00",""
"4132484","29.202","0.003","18.1799","0.0012","27.6543","0.0018","90","","97.913","0.006","90","","14542","2","300","2","299.84","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H180 Au16 S12 -","- C120 H180 Au16 S12 -","- C480 H720 Au64 S48 -","4","1","","Yang, Sha; Chen, Shuang; Xiong, Lin; Liu, Chong; Yu, Haizhu; Wang, Shuxin; Rosi, Nathaniel L.; Pei, Yong; Zhu, Manzhou","Total Structure Determination of Au<sub>16</sub>(S-Adm)<sub>12</sub> and Cd<sub>1</sub>Au<sub>14</sub>(S tBu)<sub>12</sub> and Implications for the Structure of Au<sub>15</sub>(SR)<sub>13</sub>.","Journal of the American Chemical Society","2018","140","35","10988","10994","10.1021/jacs.8b04257","","","1.54178","CuKα","","0.1726","0.1078","","","0.2363","0.2717","","","","","","1.095","","","","has coordinates","242457","2020-10-21","18:00:00",""
"4132485","23.2664","0.0008","32.9221","0.0012","41.4807","0.0013","90","","90","","90","","31773.3","1.9","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C117 H62 O32 Zr6 -","- C117 H62 O32 Zr6 -","- C468 H248 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1142","0.0906","","","0.2848","0.3042","","","","","","1.091","","","","has coordinates","242458","2020-10-21","18:00:00",""
"4132486","22.327","0.006","33.727","0.009","20.888","0.006","90","","90","","90","","15729","7","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1429","0.1085","","","0.3082","0.371","","","","","","1.632","","","","has coordinates","242459","2020-10-21","18:00:00",""
"4132487","23.566","","33.312","","20.631","","90","","90","","90","","16196","","296","2","296","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C53 H23 N O16 Zr3 -","- C53 H23 N O16 Zr3 -","- C212 H92 N4 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1419","0.1055","","","0.28","0.3329","","","","","","1.392","","","","has coordinates","242460","2020-10-21","18:00:00",""
"4132488","23.159","0.003","33.299","0.004","20.824","0.002","90","","90","","90","","16059","3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C58 H30 O16 Zr3 -","- C58 H30 O16 Zr3 -","- C232 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","","","0.184","0.1238","","","0.3337","0.4419","","","","","","1.793","","","","has coordinates","242461","2020-10-21","18:00:00",""
"4132489","23.1484","0.0012","33.0429","0.0017","20.6518","0.0011","90","","90","","90","","15796.4","1.4","296","2","296","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C55 H28 O16 Zr3 -","- C55 H28 O16 Zr3 -","- C220 H112 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","Synchrotron","","0.1321","0.0905","","","0.2611","0.3141","","","","","","1.309","","","","has coordinates","242462","2020-10-21","18:00:00",""
"4132490","23.361","0.003","33.409","0.004","20.691","0.002","90","","90","","90","","16149","3","296","2","296.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H26 O18 Zr3 -","- C54 H26 O18 Zr3 -","- C216 H104 O72 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","","","0.1032","0.0886","","","0.2616","0.2858","","","","","","1.109","","","","has coordinates","242463","2020-10-21","18:00:00",""
"4132491","23.1544","0.0012","33.1052","0.0017","40.833","0.002","90","","90","","90","","31300","3","120","2","120","","","","","","","","","4","I m m m","-I 2 2","71","","","","- C125 H60 O32 Zr6 -","- C125 H60 O32 Zr6 -","- C500 H240 O128 Zr24 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1245","0.0856","","","0.2678","0.3054","","","","","","1.092","","","","has coordinates","242464","2020-10-21","18:00:00",""
"4132492","21.1374","0.0011","33.1766","0.0018","21.4671","0.001","90","","90","","90","","15054.2","1.3","273","2","273.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C60 H30 O24 Zr3 -","- C60 H30 O16 Zr3 -","- C240 H120 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.1176","0.1027","","","0.326","0.3457","","","","","","1.483","","","","has coordinates","242465","2020-10-21","18:00:00",""
"4132493","20.2175","0.0009","34.4927","0.0015","21.0753","0.0009","90","","90","","90","","14697","1.1","110","2","110","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 O16 Zr3 -","- C44 H22 O16 Zr3 -","- C176 H88 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.515","Synchrotron","","0.0776","0.0513","","","0.1522","0.1568","","","","","","1.006","","","","has coordinates","242466","2020-10-21","18:00:00",""
"4132494","20.5524","0.0017","34.409","0.002","21.016","0.0016","90","","90","","90","","14862.3","1.9","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C44 H22 Hf3 O16 -","- C44 H22 Hf3 O16 -","- C176 H88 Hf12 O64 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41328","synchrotron","","0.0808","0.0723","","","0.2391","0.2524","","","","","","1.183","","","","has coordinates","242467","2020-10-21","18:00:00",""
"4132495","23.2646","0.0012","32.332","0.0016","21.5466","0.001","90","","90","","90","","16207.2","1.4","120","2","120","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C63 H34 O16 Zr3 -","- C63 H33 O16 Zr3 -","- C252 H132 O64 Zr12 -","4","0.25","","Zhang, Xin; Frey, Brandon L.; Chen, Yu-Sheng; Zhang, Jian","Topology-Guided Stepwise Insertion of Three Secondary Linkers in Zirconium Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","24","7710","7715","10.1021/jacs.8b04277","","","0.41325","synchrotron","","0.0866","0.0767","","","0.249","0.264","","","","","","1.141","","","","has coordinates,has disorder","242468","2020-10-21","18:00:00",""
"4132496","28.3931","0.0003","28.3931","0.0003","84.817","0.003","90","","90","","90","","68377","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H211 Br6 N33 O32 Zn3 -","- C174 H201 Br6 N33 O32 Zn3 -","- C1392 H1608 Br48 N264 O256 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3104","0.2404","","","0.5093","0.5531","","","","","","1.61","","","","has coordinates,has disorder","242469","2020-10-21","18:00:00",""
"4132497","28.3964","0.0003","28.3964","0.0003","84.3978","0.0018","90","","90","","90","","68054.6","1.8","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H201.88 Cl6 N33 O30.5 Zn3 -","- C174 H201 Cl6 N33 O30.5 Zn3 -","- C1392 H1608 Cl48 N264 O244 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.3474","0.2744","","","0.5541","0.5938","","","","","","1.951","","","","has coordinates","242470","2020-10-21","18:00:00",""
"4132498","28.4415","0.0003","28.4415","0.0003","85.872","0.002","90","","90","","90","","69463.5","1.9","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C174 H202 I6 N33 O31 Zn3 -","- C174 H201 I6 N33 O31 Zn3 -","- C1392 H1608 I48 N264 O248 Zn24 -","8","1","","Yamagami, Motoya; Sawada, Tomohisa; Fujita, Makoto","Synthetic β-Barrel by Metal-Induced Folding and Assembly.","Journal of the American Chemical Society","2018","140","28","8644","8647","10.1021/jacs.8b04284","","","1","Synchrotron","","0.257","0.1957","","","0.4512","0.4922","","","","","","1.564","","","","has coordinates,has disorder","242471","2020-10-21","18:00:00",""
"4132499","10.2578","0.0006","13.5871","0.0008","18.479","0.0011","90","","104.03","0.003","90","","2498.7","0.3","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C117.71 H134 N16 -","- C116.92 H144 N16 -","- C116.92 H144 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.0805","0.0791","","","0.2109","0.2125","","","","","","1.089","","","","has coordinates,has disorder","242472","2020-10-21","18:00:00",""
"4132500","9.1171","0.0006","17.2703","0.0014","15.3013","0.0011","90","","100.518","0.004","90","","2368.8","0.3","100","2","99.97","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N4 -","- C27 H32 N4 -","- C108 H128 N16 -","4","1","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54178","CuKα","","0.1449","0.1337","","","0.446","0.4662","","","","","","2.109","","","","has coordinates,has disorder","242474","2020-10-21","18:00:00",""
"4132501","9.6621","0.001","14.6897","0.0017","17.747","0.002","90","","104.666","0.005","90","","2436.8","0.5","100","2","99.97","","","","","","","","","3","P -1","-P 1","2","","","","- C112 H136 N16 -","- C112 H136 N16 -","- C112 H136 N16 -","1","0.5","","Lou, Alexander J.-T.; Righetto, Stefania; Barger, Christopher; Zuccaccia, Cristiano; Cariati, Elena; Macchioni, Alceo; Marks, Tobin J.","Unprecedented Large Hyperpolarizability of Twisted Chromophores in Polar Media.","Journal of the American Chemical Society","2018","140","28","8746","8755","10.1021/jacs.8b04320","","","1.54184","CuKα","","0.1333","0.1313","","","0.3236","0.3247","","","","","","1.081","","","","has coordinates","242475","2020-10-21","18:00:00",""
"4132502","8.4233","0.0013","13.0818","0.0017","16.344","0.003","71.392","0.004","89.569","0.005","77.201","0.004","1660.5","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu N11 O4 -","- C31 H37 Cl2 Cu N11 O4 -","- C62 H74 Cl4 Cu2 N22 O8 -","2","1","","Ghattas, Wadih; Dubosclard, Virginie; Wick, Arne; Bendelac, Audrey; Guillot, Régis; Ricoux, Rémy; Mahy, Jean-Pierre","Receptor-Based Artificial Metalloenzymes on Living Human Cells.","Journal of the American Chemical Society","2018","140","28","8756","8762","10.1021/jacs.8b04326","","x-ray","0.71073","MoKα","","0.3697","0.0949","","","0.123","0.1662","","","","","","0.926","","","","has coordinates,has disorder","242476","2020-10-21","18:00:00",""
"4132503","8.9854","0.0011","13.222","0.0016","16.513","0.002","68.563","0.002","79.735","0.002","87.455","0.002","1796.4","0.4","123","1","123","1","","","","","","","","4","P -1","-P 1","2","","","","- C45 H26 F12 O2 -","- C45 H26 F12 O2 -","- C90 H52 F24 O4 -","2","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.0555","0.0474","","","0.117","0.1234","","","","","","1.022","","","","has coordinates,has disorder","242477","2020-10-21","18:00:00",""
"4132504","15.2965","0.0002","15.9067","0.0003","16.5026","0.0003","73.197","0.001","88.851","0.001","78.149","0.001","3758.68","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H30 F12 O2 -","- C47 H30 F12 O2 -","- C188 H120 F48 O8 -","4","2","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","1.54184","CuKα","","0.0598","0.0484","","","0.1291","0.1366","","","","","","1.049","","","","has coordinates,has disorder","242478","2020-10-21","18:00:00",""
"4132505","16.2853","0.0008","15.2445","0.0007","17.0808","0.0009","90","","107.963","0.001","90","","4033.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H35 F12 O2 -","- C49 H35 F12 O2 -","- C196 H140 F48 O8 -","4","1","","Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori","Helically Locked Tethered Twistacenes.","Journal of the American Chemical Society","2018","140","26","8086","8090","10.1021/jacs.8b04447","","","0.71073","MoKα","","0.1174","0.0703","","","0.1725","0.2055","","","","","","1.028","","","","has coordinates,has disorder","242479","2020-10-21","18:00:00",""
"4132506","17.7003","0.0008","12.0897","0.0006","8.2601","0.0004","90","","90","","90","","1767.59","0.15","93","2","93","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H19 N O -","- C26 H19 N O -","- C104 H76 N4 O4 -","4","1","","Bowring, Miriam A.; Bradshaw, Liam R.; Parada, Giovanny A.; Pollock, Timothy P.; Fernández-Terán, Ricardo J; Kolmar, Scott S.; Mercado, Brandon Q.; Schlenker, Cody W.; Gamelin, Daniel R.; Mayer, James M.","Activationless Multiple-Site Concerted Proton-Electron Tunneling.","Journal of the American Chemical Society","2018","140","24","7449","7452","10.1021/jacs.8b04455","","","1.54184","CuKα","","0.0772","0.0679","","","0.1546","0.1598","","","","","","1.157","","","","has coordinates","242480","2020-10-21","18:00:00",""
"4132507","11.4235","0.0005","20.7153","0.0009","39.4855","0.0017","90","","90","","90","","9343.9","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 Cl F8 N4 O1.5 Ru -","- C50 H32 Cl F8 N4 O1.5 Ru -","- C400 H256 Cl8 F64 N32 O12 Ru8 -","8","2","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0674","0.0565","","","0.1668","0.1774","","","","","","1.126","","","","has coordinates,has disorder","242481","2020-10-21","18:00:00",""
"4132508","20.0727","0.0013","12.7833","0.0008","20.2135","0.0013","90","","109.087","0.0017","90","","4901.6","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H29 F8 N4 O2 Ru -","- C50 H29 F8 N4 O2 Ru -","- C200 H116 F32 N16 O8 Ru4 -","4","0.5","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0604","0.0574","","","0.1572","0.1598","","","","","","1.13","","","","has coordinates,has disorder","242482","2020-10-21","18:00:00",""
"4132509","12.5729","0.0012","21.6205","0.0016","21.91","0.002","90","","95.011","0.004","90","","5933.1","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H52 Cl8 N4 O2 Ru -","- C61 H52 Cl8 N4 O2 Ru -","- C244 H208 Cl32 N16 O8 Ru4 -","4","1","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0781","0.0641","","","0.1642","0.1784","","","","","","1.069","","","","has coordinates,has disorder","242483","2020-10-21","18:00:00",""
"4132510","10.82435","0.00018","20.5867","0.0003","33.7361","0.0006","90","","95.9552","0.0017","90","","7477.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C122 H134 F24 N4 O20 P4 -","- C122 H134 F24 N4 O20 P4 -","- C244 H268 F48 N8 O40 P8 -","2","0.5","","Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","Viologen-Based Rotaxanes from Dibenzo-30-crown-10.","Journal of the American Chemical Society","2018","140","23","7358","7370","10.1021/jacs.8b04477","","x-ray","1.54184","CuKα","","0.0687","0.0572","","","0.1608","0.1691","","","","","","1.032","","","","has coordinates,has disorder","242484","2020-10-21","18:00:00",""
"4132511","17.3939","0.0001","25.8131","0.0001","21.8115","0.0001","90","","91.63","","90","","9789.19","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H35.5 Au O0.25 P -","- C24 H35.5 Au O0.25 P -","- C384 H568 Au16 O4 P16 -","16","4","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0786","0.0789","","","","","","1.115","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4132512","10.3057","0.0001","14.2256","0.0001","19.7173","0.0002","90","","90","","90","","2890.65","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Au O4 P -","- C29 H40 Au O4 P -","- C116 H160 Au4 O16 P4 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0276","0.0271","","","0.0636","0.0639","","","","","","1.046","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132513","20.9189","0.0002","17.0445","0.0002","26.4122","0.0003","90","","90","","90","","9417.33","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H67 Au F5 N O4 -","- C48 H67 Au F5 N O4 -","- C384 H536 Au8 F40 N8 O32 -","8","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71075","MoKα","","0.0819","0.061","","","0.1428","0.1547","","","","","","1.034","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132514","14.6204","0.0002","5.968","0.0001","19.8075","0.0002","90","","98.147","0.001","90","","1710.85","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Au2 O2 -","- C40 H50 Au2 O2 -","- C80 H100 Au4 O4 -","2","0.5","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0234","0.0223","","","0.0494","0.0497","","","","","","1.241","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132515","10.4674","0.0001","11.8922","0.0001","22.9414","0.0003","90","","100.833","0.001","90","","2804.86","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 Au2 P2 -","- C26 H42 Au2 P2 -","- C104 H168 Au8 P8 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","1.54184","CuKα","","0.0282","0.0255","","","0.0681","0.0694","","","","","","1.082","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132516","10.289","0.002","37.957","0.006","9.791","0.002","90","","99.355","0.009","90","","3772.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H64 Ni O2 P2 -","- C41 H64 Ni O2 P2 -","- C164 H256 Ni4 O8 P8 -","4","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.067","0.0431","","","0.085","0.0948","","","","","","0.983","","","","has coordinates","242486","2020-10-21","18:00:00",""
"4132517","32.625","0.002","9.9735","0.0007","28.5895","0.0014","90","","90","","90","","9302.6","1","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C51 H82 Ni2 O2 P2 -","- C51 H82 Ni2 O2 P2 -","- C408 H656 Ni16 O16 P16 -","8","1","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.204","0.0682","","","0.0982","0.1356","","","","","","0.936","","","","has coordinates,has disorder","242487","2020-10-21","18:00:00",""
"4132518","10.9948","0.0005","11.8656","0.0005","12.9686","0.0006","67.3623","0.0009","76.229","0.001","70.3121","0.0011","1458.77","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","- C56 H102 Ni2 O8 P2 -","1","0.5","","Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben","Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","28","8771","8780","10.1021/jacs.8b04479","","","0.71073","MoKα","","0.0337","0.0283","","","0.0702","0.0728","","","","","","1.025","","","","has coordinates,has disorder","242488","2020-10-21","18:00:00",""
"4132519","10.1725","0.001","11.8432","0.0012","13.0967","0.0013","87.134","0.001","83.968","0.001","79.187","0.001","1540.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","- C70 H66 P4 Ru Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0238","0.0221","","","0.0557","0.057","","","","","","1.0504","","","","has coordinates","242489","2020-10-21","18:00:00",""
"4132520","28.328","0.003","17.7028","0.0017","17.0686","0.0016","90","","120.73","0.001","90","","7357.7","1.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C74 H72 Au2 Cl8 N4 P4 Ru -","- C296 H288 Au8 Cl32 N16 P16 Ru4 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.0696","0.0537","","","0.1481","0.1613","","","","","","1.0479","","","","has coordinates","242490","2020-10-21","18:00:00",""
"4132521","26.639","0.005","10.0264","0.0017","25.445","0.004","90","","97.375","0.002","90","","6740","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H72 P4 Ru Si2 -","- C80 H72 P4 Ru Si2 -","- C320 H288 P16 Ru4 Si8 -","4","0.5","","Tanaka, Yuya; Kato, Yuya; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","""Doping"" of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire.","Journal of the American Chemical Society","2018","140","32","10080","10084","10.1021/jacs.8b04484","","","0.71073","MoKα","","0.1291","0.0856","","","0.1806","0.1996","","","","","","1.1077","","","","has coordinates,has disorder","242491","2020-10-21","18:00:00",""
"4132522","9.8224","0.0003","6.6868","0.0002","17.4224","0.0006","90","","91.738","0.002","90","","1143.78","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N O4 S -","- C25 H33 N O4 S -","- C50 H66 N2 O8 S2 -","2","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0474","0.0414","","","0.0991","0.1021","","","","","","1.043","","","","has coordinates","242492","2020-10-21","18:00:00",""
"4132523","5.0523","0.0002","16.423","0.0005","17.2698","0.0005","90","","90","","90","","1432.94","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0356","0.0322","","","0.0762","0.0782","","","","","","1.05","","","","has coordinates","242493","2020-10-21","18:00:00",""
"4132524","5.0568","0.0001","16.3847","0.0004","17.2832","0.0004","90","","90","","90","","1431.98","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0322","0.0284","","","0.0683","0.07","","","","","","1.036","","","","has coordinates","242494","2020-10-21","18:00:00",""
"4132525","36.382","0.003","36.382","0.003","15.489","0.0015","90","","90","","90","","20502","3","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H222 Cu6 Fe2 N12 Ni4 O118 -","- C78 H60 Cu6 Fe2 N12 Ni4 O56 -","- C312 H240 Cu24 Fe8 N48 Ni16 O224 -","4","0.25","","Tejeda-Serrano, María; Mon, Marta; Ross, Bethany; Gonell, Francisco; Ferrando-Soria, Jesús; Corma, Avelino; Leyva-Pérez, Antonio; Armentano, Donatella; Pardo, Emilio","Isolated Fe(III)-O Sites Catalyze the Hydrogenation of Acetylene in Ethylene Flows under Front-End Industrial Conditions.","Journal of the American Chemical Society","2018","140","28","8827","8832","10.1021/jacs.8b04669","","","0.71073","MoKα","","0.1904","0.1472","","","0.4171","0.4417","","","","","","1.365","","","","has coordinates","242495","2020-10-21","18:00:00",""
"4132526","9.47238","0.0001","9.82216","0.00011","27.9989","0.0003","90","","98.9437","0.001","90","","2573.32","0.05","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl Cu N8 O4 -","- C25 H25 Cl Cu N8 O4 -","- C100 H100 Cl4 Cu4 N32 O16 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0309","0.0281","","","0.0756","0.0776","","","","","","1.033","","","","has coordinates,has disorder","242496","2020-10-21","18:00:00",""
"4132527","20.0003","0.0002","10.59484","0.00012","15.22292","0.00019","90","","99.1402","0.0012","90","","3184.78","0.06","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 Cu F5 N5 O9 -","- C28 H26 Cl2 Cu F5 N5 O9 -","- C112 H104 Cl8 Cu4 F20 N20 O36 -","4","1","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0297","0.0274","","","0.0717","0.0737","","","","","","1.018","","","","has coordinates","242497","2020-10-21","18:00:00",""
"4132528","19.8184","0.0003","23.5255","0.0004","23.9366","0.0003","112.269","0.0015","106.518","0.0013","102.112","0.0014","9245.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C52.33 H45.83 Cu2 F22 N10 O0.58 Sb2 -","- C52.3307 H45.8267 Cu2 F22 N10 O0.582667 Sb2 -","- C313.984 H274.96 Cu12 F132 N60 O3.496 Sb12 -","6","3","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.0505","0.0433","","","0.1087","0.1117","","","","","","0.986","","","","has coordinates,has disorder","242498","2020-10-21","18:00:00",""
"4132529","16.9714","0.0004","25.4865","0.0005","30.1352","0.0007","113.519","0.002","94.289","0.002","95.9659","0.0017","11790.2","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Cu F8 N8 O3.5 S -","- C26 H21 Cu F8 N8 O3.5 S -","- C416 H336 Cu16 F128 N128 O56 S16 -","16","8","","Bhadra, Mayukh; Lee, Jung Yoon C.; Cowley, Ryan E.; Kim, Sunghee; Siegler, Maxime A.; Solomon, Edward I.; Karlin, Kenneth D.","Intramolecular Hydrogen Bonding Enhances Stability and Reactivity of Mononuclear Cupric Superoxide Complexes.","Journal of the American Chemical Society","2018","140","29","9042","9045","10.1021/jacs.8b04671","","","1.54178","CuKα","","0.1092","0.062","","","0.1512","0.1808","","","","","","1","","","","has coordinates,has disorder","242499","2020-10-21","18:00:00",""
"4132530","18.8651","0.0007","19.7892","0.0008","20.6097","0.0008","69.546","0.004","85.836","0.003","67.732","0.004","6655.5","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C141 H157 Cl15 N10 O0 Zn2 -","- C141 H157 Cl15 N10 Zn2 -","- C282 H314 Cl30 N20 Zn4 -","2","1","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.1748","0.0938","","","0.2328","0.2856","","","","","","1.014","","","","has coordinates,has disorder","242500","2020-10-21","18:00:00",""
"4132531","25.7724","0.0008","36.8812","0.0009","30.7405","0.0007","90","","96.752","0.002","90","","29016.7","1.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C661.53 H697.2 Cl25.75 N36.45 Ni8 -","- C661.536 H697.198 Cl25.756 N36.44 Ni8 -","- C1323.07 H1394.4 Cl51.512 N72.88 Ni16 -","2","0.25","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.094","0.0808","","","0.2203","0.2326","","","","","","1.044","","","","has coordinates,has disorder","242501","2020-10-21","18:00:00",""
"4132532","17.92","0.0002","40.8305","0.0003","18.667","0.0001","90","","105.355","0.001","90","","13170.8","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C293.49 H319.68 Cl5.64 N19.83 O4.62 Zn4 -","- C293.492 H319.686 Cl5.638 N19.832 O4.622 Zn4 -","- C586.984 H639.372 Cl11.276 N39.664 O9.244 Zn8 -","2","0.5","","Nagai, Tomohiro; Takiguchi, Asahi; Ueda, Masayuki; Oda, Kazuma; Hiroto, Satoru; Shinokubo, Hiroshi","X-Shaped Cyclobutane-Linked Tetraporphyrins through a Thermal [2+2] Cycloaddition of Etheno-Fused Diporphyrins.","Journal of the American Chemical Society","2018","140","27","8392","8395","10.1021/jacs.8b04673","","","0.71073","MoKα","","0.0728","0.059","","","0.162","0.1742","","","","","","1.022","","","","has coordinates,has disorder","242502","2020-10-21","18:00:00",""
"4132533","17.5481","0.0008","20.1172","0.001","13.4385","0.0006","90","","101.468","0.002","90","","4649.3","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F6 N3 O4 Rh S -","- C24 H14 F6 N3 O4 Rh S -","- C192 H112 F48 N24 O32 Rh8 S8 -","8","1","","Chan, Alan Kwun-Wa; Ng, Maggie; Low, Kam-Hung; Yam, Vivian Wing-Wah","Versatile Control of Directed Supramolecular Assembly via Subtle Changes of the Rhodium(I) Pincer Building Blocks.","Journal of the American Chemical Society","2018","140","26","8321","8329","10.1021/jacs.8b04687","","","1.34138","GaKα","","0.0681","0.0493","","","0.0964","0.1024","","","","","","1.042","","","","has coordinates,has disorder","242503","2020-10-21","18:00:00",""
"4132534","8.3584","0.0004","14.816","0.0005","18.9753","0.0006","90","","90","","90","","2349.86","0.16","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0563","0.0469","","","0.1096","0.117","","","","","","1.084","","","","has coordinates","242504","2020-10-21","18:00:00",""
"4132535","5.88468","0.00005","24.088","0.0002","11.56387","0.00009","90","","92.8518","0.0007","90","","1637.15","0.02","173.15","","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C78 H84 O18 -","6","3","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0731","0.0734","","","","","","1.041","","","","has coordinates","242505","2020-10-21","18:00:00",""
"4132536","5.6458","0.0003","26.6994","0.0009","6.107","0.0002","90","","115.687","0.006","90","","829.59","0.07","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C38 H42 N2 O4 S2 -","2","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0382","0.0364","","","0.102","0.103","","","","","","1.067","","","","has coordinates","242506","2020-10-21","18:00:00",""
"4132537","8.9395","0.0003","9.5963","0.0004","14.4751","0.0006","104.785","0.001","100.092","0.001","106.757","0.001","1107.37","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl O4 P Pd -","- C23 H24 Cl O4 P Pd -","- C46 H48 Cl2 O8 P2 Pd2 -","2","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0192","0.0187","","","0.0568","0.0581","","","","","","1.0497","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132538","8.8242","0.0003","18.5471","0.0006","16.3705","0.0006","90","","103.122","0.001","90","","2609.29","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl O5 P2 Pd -","- C25 H31 Cl O5 P2 Pd -","- C100 H124 Cl4 O20 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","1.54178","CuKα","","0.0484","0.047","","","0.1195","0.1207","","","","","","1.0394","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132539","10.2642","0.0003","15.4645","0.0005","18.4446","0.0007","90","","90","","90","","2927.72","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0387","0.0338","","","0.0718","0.0741","","","","","","1.031","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132540","9.6631","0.0006","21.6925","0.0014","17.1226","0.001","90","","105.858","0.001","90","","3452.6","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 Cl N2 O3 P2 Pd -","- C33 H49 Cl N2 O3 P2 Pd -","- C132 H196 Cl4 N8 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0244","0.0226","","","0.0594","0.0641","","","","","","1.033","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132541","8.7229","0.0004","15.938","0.0008","20.9835","0.0011","90","","98.316","0.001","90","","2886.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl N O4 P Pd -","- C28 H37 Cl N O4 P Pd -","- C112 H148 Cl4 N4 O16 P4 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0258","0.0231","","","0.0616","0.0636","","","","","","1.1425","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132542","38.985","0.005","38.985","0.005","38.985","0.005","90","","90","","90","","59251","13","100","0.1","100","0.1","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C80 H66 N12 O40 Tb6 -","- C59.9988 H29.0022 N9.999 O37.9968 Tb5.9994 -","- C959.981 H464.035 N159.984 O607.949 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54184","CuKα","","0.2036","0.1386","","","0.3723","0.4185","","","","","","1.753","","","","has coordinates,has disorder","242508","2020-10-21","18:00:00",""
"4132543","39.74","0.001","39.74","0.001","56.261","0.002","90","","90","","90","","88851","4","100","0.1","100","0.1","","","","","","","","5","I 41","I 4bw","80","","","","- C178 H138 N8 O38 Tb6 -","- C174 H102 N6 O32 Tb6 -","- C1392 H816 N48 O256 Tb48 -","8","1","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.143","0.1404","","","0.3705","0.3748","","","","","","2.467","","","","has coordinates,has disorder","242509","2020-10-21","18:00:00",""
"4132544","46.0411","0.0004","46.0411","0.0004","46.0411","0.0004","90","","90","","90","","97597.1","1.5","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C136 H120 N8 O38 S6 Tb6 -","- C130.5 H99.5 N6 O38 S6 Tb6 -","- C2088 H1592 N96 O608 S96 Tb96 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0551","0.0515","","","0.1561","0.1595","","","","","","1.094","","","","has coordinates,has disorder","242510","2020-10-21","18:00:00",""
"4132545","38.309","0.004","38.309","0.004","38.309","0.004","90","","90","","90","","56222","10","100","0.1","100","0.1","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C62 H54 F6 N6 O34 Tb6 -","- C23.9976 H8.9994 N5.9994 O33.9972 Tb5.9994 -","- C383.962 H143.99 N95.9904 O543.955 Tb95.9904 -","16","0.0833333","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.1212","0.11","","","0.3956","0.4314","","","","","","2.32","","","","has coordinates,has disorder","242511","2020-10-21","18:00:00",""
"4132546","45.6614","0.0005","45.6614","0.0005","45.6614","0.0005","90","","90","","90","","95202.4","1.8","100","0.1","100","0.1","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","","","- C134.73 H109.04 N5.58 O35.58 S6 Tb6 -","- C134.728 H109.03 N5.5758 O35.576 S6 Tb6 -","- C2155.64 H1744.49 N89.2128 O569.216 S96 Tb96 -","16","0.166667","","Jiang, Hao; Jia, Jiangtao; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Belmabkhout, Youssef; Weselinski, Lukasz J.; Assen, Ayalew H.; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed","Enriching the Reticular Chemistry Repertoire: Merged Nets Approach for the Rational Design of Intricate Mixed-Linker Metal-Organic Framework Platforms.","Journal of the American Chemical Society","2018","140","28","8858","8867","10.1021/jacs.8b04745","","","1.54178","CuKα","","0.0766","0.0744","","","0.2086","0.2141","","","","","","1.092","","","","has coordinates","242512","2020-10-21","18:00:00",""
"4132547","14.4874","0.0002","19.8805","0.0003","20.6103","0.0003","90","","90","","90","","5936.11","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Shaoxx-2-214","","","- C34 H30 Br N2 O P -","- C34 H30 Br N2 O P -","- C272 H240 Br8 N16 O8 P8 -","8","2","","Shao, Xinxin; Li, Kangnan; Malcolmson, Steven J.","Enantioselective Synthesis of anti-1,2-Diamines by Cu-Catalyzed Reductive Couplings of Azadienes with Aldimines and Ketimines.","Journal of the American Chemical Society","2018","140","23","7083","7087","10.1021/jacs.8b04750","","","0.71073","MoKα","","0.0353","0.028","","","0.0568","0.0589","","","","","","1.024","","","","has coordinates","242513","2020-10-21","18:00:00",""
"4132548","9.1525","0.001","12.9741","0.0012","27.813","0.003","90","","95.477","0.002","90","","3287.6","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.75 H26 Cl2.5 N2 O4 -","- C39.812 H26 Cl2.436 N2 O4 -","- C159.248 H104 Cl9.744 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.1283","0.0838","","","0.2561","0.3011","","","","","","1.035","","","","has coordinates,has disorder","242514","2020-10-21","18:00:00",""
"4132549","12.253","0.003","13.695","0.003","18.695","0.005","90","","102.729","0.006","90","","3060","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","PXZDMePDO","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C164 H120 N8 O16 -","4","0.5","","Wu, Kailong; Zhang, Tao; Wang, Zian; Wang, Lian; Zhan, Lisi; Gong, Shaolong; Zhong, Cheng; Lu, Zheng-Hong; Zhang, Song; Yang, Chuluo","De Novo Design of Excited-State Intramolecular Proton Transfer Emitters via a Thermally Activated Delayed Fluorescence Channel.","Journal of the American Chemical Society","2018","140","28","8877","8886","10.1021/jacs.8b04795","","","0.71073","MoKα","","0.0552","0.0465","","","0.1245","0.1347","","","","","","1.029","","","","has coordinates","242515","2020-10-21","18:00:00",""
"4132550","15.4","0.0005","15.3943","0.0005","19.6252","0.0013","90","","90","","90","","4652.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H78 Cl3 Dy O4 P2 -","- C40 H78 Cl3 Dy O4 P2 -","- C160 H312 Cl12 Dy4 O16 P8 -","4","1","","Wang, Yu-Xia; Ma, Yinina; Chai, Yisheng; Shi, Wei; Sun, Young; Cheng, Peng","Observation of Magnetodielectric Effect in a Dysprosium-Based Single-Molecule Magnet.","Journal of the American Chemical Society","2018","140","25","7795","7798","10.1021/jacs.8b04818","","","0.71073","MoKα","","0.08","0.0612","","","0.1259","0.1451","","","","","","1.027","","","","has coordinates,has disorder","242516","2020-10-21","18:00:00",""
"4132551","20.2963","0.0015","17.9161","0.0013","15.4636","0.0011","90","","108.659","0.008","90","","5327.5","0.7","93","2","93","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C98 H162 Fe2 K2 N6 O20 -","- C98 H162 Fe2 K2 N6 O20 -","- C196 H324 Fe4 K4 N12 O40 -","2","0.25","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.102","0.07","","","0.1472","0.1655","","","","","","1.14","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132552","21.4377","0.0004","21.1501","0.0004","26.26","0.0018","90","","111.839","0.008","90","","11052","1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H85 Fe K N6 O8 -","- C49 H85 Fe K N6 O8 -","- C392 H680 Fe8 K8 N48 O64 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","0.71075","MoKα","","0.0949","0.0687","","","0.1757","0.1922","","","","","","1.049","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132553","21.1375","0.0015","20.4561","0.0014","18.855","0.0013","90","","113.643","0.001","90","","7468.4","0.9","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H59 Fe N4 Si2 -","- C35 H59 Fe N4 Si2 -","- C280 H472 Fe8 N32 Si16 -","8","2","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0627","0.0448","","","0.1119","0.1228","","","","","","1.029","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132554","22.9536","0.0016","12.6698","0.0009","33.869","0.002","90","","106.622","0.002","90","","9438.1","1.1","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 Fe I2 K N2 O6 -","- C41 H65 Fe I2 K N2 O6 -","- C328 H520 Fe8 I16 K8 N16 O48 -","8","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.0715","0.0462","","","0.1012","0.1078","","","","","","0.94","","","","has coordinates,has disorder","242517","2020-10-21","18:00:00",""
"4132555","17.543","0.0012","16.6901","0.0012","20.3235","0.0014","90","","107.336","0.001","90","","5680.3","0.7","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H91 Fe K N2 O8 -","- C55 H91 Fe K N2 O8 -","- C220 H364 Fe4 K4 N8 O32 -","4","1","","McWilliams, Sean F.; Bill, Eckhard; Lukat-Rodgers, Gudrun; Rodgers, Kenton R.; Mercado, Brandon Q.; Holland, Patrick L.","Effects of N<sub>2</sub> Binding Mode on Iron-Based Functionalization of Dinitrogen to Form an Iron(III) Hydrazido Complex.","Journal of the American Chemical Society","2018","140","27","8586","8598","10.1021/jacs.8b04828","","","1.54178","CuKα","","0.1103","0.0916","","","0.2632","0.2826","","","","","","1.054","","","","has coordinates","242517","2020-10-21","18:00:00",""
"4132556","8.441","0.002","11.844","0.003","16.46","0.004","96.665","0.003","100.755","0.003","103.614","0.003","1549","0.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Ir N3 O -","- C41 H32 Ir N3 O -","- C82 H64 Ir2 N6 O2 -","2","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0225","0.0206","","","0.0503","0.052","","","","","","1.094","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132557","12.9276","0.0005","24.1615","0.001","13.3586","0.0005","90","","116.226","0.0004","90","","3743","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl4 Ir N3 O S2 -","- C39 H32 Cl4 Ir N3 O S2 -","- C156 H128 Cl16 Ir4 N12 O4 S8 -","4","1","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0466","0.0387","","","0.105","0.1095","","","","","","1.051","","","","has coordinates,has disorder","242518","2020-10-21","18:00:00",""
"4132558","13.2791","0.0008","21.2737","0.0013","13.2932","0.0013","90","","102.215","0.0006","90","","3670.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 Cl2 Ir N4 S2 -","- C40 H37 Cl2 Ir N4 S2 -","- C160 H148 Cl8 Ir4 N16 S8 -","4","0.5","","Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S.","Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes.","Journal of the American Chemical Society","2018","140","32","10198","10207","10.1021/jacs.8b04841","","","0.71073","MoKα","","0.0412","0.0259","","","0.055","0.0609","","","","","","1.016","","","","has coordinates","242518","2020-10-21","18:00:00",""
"4132559","17.0985","0.0011","13.5512","0.0009","21.4178","0.0014","90","","90","","90","","4962.6","0.6","200","2","200","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C46 H59 Cr N2 P Si -","- C46 H59 Cr N2 P Si -","- C184 H236 Cr4 N8 P4 Si4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0588","0.0424","","","0.1053","0.1155","","","","","","1.035","","","","has coordinates","242519","2020-10-21","18:00:00",""
"4132560","11.0281","0.0006","16.9697","0.001","19.3066","0.0011","90","","101.422","0.001","90","","3541.5","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cr N2 Si2 -","- C32 H56 Cr N2 Si2 -","- C128 H224 Cr4 N8 Si8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0572","0.0422","","","0.108","0.1206","","","","","","1.014","","","","has coordinates","242520","2020-10-21","18:00:00",""
"4132561","9.8933","0.0015","17.768","0.003","19.173","0.003","90","","90","","90","","3370.3","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cr N2 -","- C38 H47 Cr N2 -","- C152 H188 Cr4 N8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0845","0.0515","","","0.1059","0.1214","","","","","","1.01","","","","has coordinates,has disorder","242521","2020-10-21","18:00:00",""
"4132562","12.4593","0.0004","12.8057","0.0004","30.868","0.001","90","","90","","90","","4925","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr N2 P -","- C47 H59 Cr N2 P -","- C188 H236 Cr4 N8 P4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.1055","0.0642","","","0.1181","0.1339","","","","","","0.969","","","","has coordinates","242522","2020-10-21","18:00:00",""
"4132563","9.9722","0.0003","11.1746","0.0003","17.0474","0.0004","72.227","0.001","74.053","0.002","65.581","0.001","1622.84","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 Cr N2 -","- C34 H52 Cr N2 -","- C68 H104 Cr2 N4 -","2","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","1.54178","CuKα","","0.0741","0.0714","","","0.1684","0.1697","","","","","","1.208","","","","has coordinates,has disorder","242523","2020-10-21","18:00:00",""
"4132564","29.365","","29.365","","29.365","","90","","90","","90","","25321.5","","110","2","110","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 Ni3 O32 Zr6 -","- C72 H48 N12 Ni3 O32 Zr6 -","- C288 H192 N48 Ni12 O128 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0855","0.0823","","","0.2515","0.2594","","","","","","1.089","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132565","29.482","","29.482","","29.482","","90","","90","","90","","25625.4","","100","2","100","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C72 H48 N12 O32 Pd3 Zr6 -","- C72 H48 N12 O32 Pd3 Zr6 -","- C288 H192 N48 O128 Pd12 Zr24 -","4","0.0208333","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.1785","0.103","","","0.2506","0.2886","","","","","","0.96","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132566","7.1382","0.0009","10.4292","0.0012","10.7797","0.0013","73.312","0.003","82.332","0.003","75.812","0.003","743.54","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","- C20 H34 Cl2 N2 Ni O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0399","0.0319","","","0.0744","0.079","","","","","","1.17","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132567","6.2763","0.0004","6.8351","0.0004","9.243","0.0006","96.319","0.002","105.067","0.002","113.408","0.002","341.04","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","- C12 H16 N2 Ni O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0487","0.0401","","","0.0841","0.0875","","","","","","1.127","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132568","5.5954","0.0004","8.3386","0.0006","12.7456","0.0008","99.2697","0.0018","101.056","0.0019","98.754","0.002","565.64","0.07","110","2","110","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","- C16 H22 Cl2 N2 O6 Pd S2 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.025","0.0228","","","0.0593","0.0605","","","","","","1.244","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132569","7.0833","0.0003","10.3708","0.0005","10.9549","0.0005","71.8866","0.0009","83.9415","0.001","76.9365","0.001","744.53","0.06","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","- C20 H34 Cl2 Cu N2 O8 S4 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","1.54184","CuKα","","0.0277","0.0267","","","0.0728","0.078","","","","","","1.081","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132570","6.2994","0.0004","6.7911","0.0004","9.1637","0.0005","98.9958","0.0018","105.053","0.0017","108.698","0.0018","346.07","0.04","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Yuan, Shuai; Zhang, Peng; Zhang, Liangliang; Garcia-Esparza, Angel T; Sokaras, Dimosthenis; Qin, Jun-Sheng; Feng, Liang; Day, Gregory S.; Chen, Wenmiao; Drake, Hannah F.; Elumalai, Palani; Madrahimov, Sherzod T.; Sun, Daofeng; Zhou, Hong-Cai","Exposed Equatorial Positions of Metal Centers via Sequential Ligand Elimination and Installation in MOFs.","Journal of the American Chemical Society","2018","140","34","10814","10819","10.1021/jacs.8b04886","","x-ray","0.71073","MoKα","","0.0433","0.0367","","","0.0799","0.0824","","","","","","1.088","","","","has coordinates","242524","2020-10-21","18:00:00",""
"4132571","17.2768","0.0012","7.2505","0.0005","11.1446","0.0008","90","","96.356","0.003","90","","1387.45","0.17","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Merchant, Rohan R.; Oberg, Kevin M.; Lin, Yutong; Novak, Alexander J. E.; Felding, Jakob; Baran, Phil S.","Divergent Synthesis of Pyrone Diterpenes via Radical Cross Coupling.","Journal of the American Chemical Society","2018","140","24","7462","7465","10.1021/jacs.8b04891","","x-ray","0.71073","MoKα","","0.0803","0.0496","","","0.1101","0.1254","","","","","","1.019","","","","has coordinates","242525","2020-10-21","18:00:00",""
"4132572","6.8589","0.0004","18.4294","0.0011","20.7665","0.0012","90","","94.9492","0.0019","90","","2615.2","0.3","114.44","","114.44","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F2 N4 -","- C33 H25 B F2 N4 -","- C132 H100 B4 F8 N16 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","","0.71073","MoKα","","0.08","0.0488","","","0.0929","0.1048","","","","","","1.052","","","","has coordinates","242526","2020-10-21","18:00:00",""
"4132573","11.4365","0.0004","12.9084","0.0005","13.2216","0.0005","90","","90.809","0.0012","90","","1951.67","0.13","100.02","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 B F2 I2 N2 -","- C19 H17 B F2 I2 N2 -","- C76 H68 B4 F8 I8 N8 -","4","1","","Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.","Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.","Journal of the American Chemical Society","2018","140","24","7730","7736","10.1021/jacs.8b04929","","x-ray","0.71073","MoKα","","0.0252","0.0215","","","0.054","0.0558","","","","","","1.068","","","","has coordinates","242527","2020-10-21","18:00:00",""
"4132574","15.8551","0.0014","10.844","0.0011","15.1961","0.0013","90","","100.17","0.003","90","","2571.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N2 O2 P -","- C29 H37 N2 O2 P -","- C116 H148 N8 O8 P4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.11","0.0518","","","0.1311","0.1569","","","","","","1.028","","","","has coordinates","242528","2020-10-21","18:00:00",""
"4132575","9.8219","0.0011","13.2831","0.0016","14.8369","0.0018","99.452","0.004","103.114","0.003","95.605","0.004","1841.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H45 N2 O4 P -","- C43 H45 N2 O4 P -","- C86 H90 N4 O8 P2 -","2","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0917","0.0463","","","0.0927","0.1091","","","","","","1.006","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4132576","9.2238","0.0006","17.261","0.0012","17.5861","0.0011","90","","98.018","0.003","90","","2772.5","0.3","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C22 H39.5 Cl0.5 F3 N2 O3 S Si -","- C88 H158 Cl2 F12 N8 O12 S4 Si4 -","4","1","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0948","0.0468","","","0.1097","0.1311","","","","","","1.014","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132577","19.068","0.002","21.572","0.003","8.1409","0.0009","90","","90","","90","","3348.6","0.7","150","2","150.15","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C15 H31 B N2 -","- C15 H31 B N2 -","- C120 H248 B8 N16 -","8","0.5","","Liu, Liu Leo; Zhou, Jiliang; Andrews, Ryan; Stephan, Douglas W.","A Room-Temperature-Stable Phosphanorcaradiene.","Journal of the American Chemical Society","2018","140","24","7466","7470","10.1021/jacs.8b04930","","","0.71073","MoKα","","0.0713","0.0441","","","0.0931","0.1055","","","","","","1.05","","","","has coordinates,has disorder","242528","2020-10-21","18:00:00",""
"4132578","15.255","0.003","13.69","0.003","16.939","0.003","90","","104.621","0.004","90","","3423","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Cl8 N4 Ru -","- C28 H36 Cl8 N4 Ru -","- C112 H144 Cl32 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0799","0.0624","","","0.1695","0.1811","","","","","","1.072","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132579","10.3321","0.0014","15.1479","0.0018","17.801","0.002","90","","105.534","0.006","90","","2684.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 N4 Ru -","- C26 H32 Cl2 N4 Ru -","- C104 H128 Cl8 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.184","0.0744","","","0.1351","0.1666","","","","","","1.019","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132580","15.5162","0.0014","11.1368","0.001","17.7144","0.0016","90","","114.52","0.001","90","","2785","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Cl3 N4 Ru -","- C26 H31 Cl3 N4 Ru -","- C104 H124 Cl12 N16 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0379","0.0322","","","0.0873","0.0931","","","","","","0.787","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132581","19.27","0.002","9.9659","0.0012","11.8072","0.0014","90","","90","","90","","2267.5","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H29 Cl2 N3 Ru -","- C22 H29 Cl2 N3 Ru -","- C88 H116 Cl8 N12 Ru4 -","4","1","","Dutta, Indranil; Yadav, Sudhir; Sarbajna, Abir; De, Subhabrata; Hölscher, Markus; Leitner, Walter; Bera, Jitendra K.","Double Dehydrogenation of Primary Amines to Nitriles by a Ruthenium Complex Featuring Pyrazole Functionality.","Journal of the American Chemical Society","2018","140","28","8662","8666","10.1021/jacs.8b05009","","","0.71073","MoKα","","0.0589","0.044","","","0.0893","0.0952","","","","","","1.09","","","","has coordinates","242529","2020-10-21","18:00:00",""
"4132582","46.323","0.002","12.1188","0.0005","24.6506","0.001","90","","121.309","0.002","90","","11823.2","0.9","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H83 Co K2 N O2 -","- C55 H82.754 Co K2 N O2 -","- C440 H662.032 Co8 K16 N8 O16 -","8","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.0854","0.0489","","","0.0999","0.1122","","","","","","1.022","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132583","11.4478","0.0006","12.1071","0.0007","21.3849","0.0012","82.679","0.003","86.994","0.003","81.566","0.003","2906.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H85 Co K N O -","- C65 H85 Co K N O -","- C130 H170 Co2 K2 N2 O2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.1134","0.0904","","","0.2228","0.2386","","","","","","1.021","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132584","23.0483","0.0013","14.029","0.0009","27.3737","0.0018","90","","90","","90","","8851.1","1","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C47 H64 Co I2 N -","- C47 H64 Co I2 N -","- C376 H512 Co8 I16 N8 -","8","2","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0567","0.0405","","","0.0818","0.0897","","","","","","1.034","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132585","11.1895","0.0006","42.067","0.003","10.8206","0.0006","90","","108.693","0.003","90","","4824.7","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H75 Co K N O -","- C51 H75 Co K N O -","- C204 H300 Co4 K4 N4 O4 -","4","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0592","","","0.1083","0.1321","","","","","","0.985","","","","has coordinates","242530","2020-10-21","18:00:00",""
"4132586","12.4898","0.0004","12.5227","0.0004","20.6102","0.0006","93.054","0.001","104.868","0.001","110.926","0.001","2872.39","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H86 Co K N O Si -","- C59 H95 Co K N O Si -","- C118 H190 Co2 K2 N2 O2 Si2 -","2","1","","Mokhtarzadeh, Charles C.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S.","A Highly-Reduced Cobalt Terminal Carbyne: Divergent Metal- and α-Carbon-Centered Reactivity.","Journal of the American Chemical Society","2018","140","26","8100","8104","10.1021/jacs.8b05019","","x-ray","0.71073","MoKα","","0.0503","0.0382","","","0.1001","0.108","","","","","","1.029","","","","has coordinates,has disorder","242530","2020-10-21","18:00:00",""
"4132587","14.8607","0.0004","14.8607","0.0004","6.7012","0.0003","90","","90","","120","","1281.63","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.049","0.0357","","","0.0682","0.0706","","","","","","1.012","","","","has coordinates","242531","2020-10-21","18:00:00",""
"4132588","14.9319","0.0004","14.9319","0.0004","6.7338","0.0002","90","","90","","120","","1300.23","0.06","373","2","373","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0536","0.0347","","","0.0586","0.0625","","","","","","1.046","","","","has coordinates","242532","2020-10-21","18:00:00",""
"4132589","14.7885","0.0005","14.7885","0.0005","6.6738","0.0003","90","","90","","120","","1264.01","0.08","223","2","223","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0411","0.0318","","","0.0742","0.0765","","","","","","1.022","","","","has coordinates","242533","2020-10-21","18:00:00",""
"4132590","14.6822","0.0005","14.6822","0.0005","6.6323","0.0003","90","","90","","120","","1238.16","0.08","93","2","93","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0465","0.0385","","","0.077","0.0789","","","","","","1.07","","","","has coordinates","242534","2020-10-21","18:00:00",""
"4132591","14.8806","0.0005","14.8806","0.0005","6.7146","0.0004","90","","90","","120","","1287.63","0.1","323","2","323","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0824","0.0466","","","0.0825","0.0858","","","","","","1.03","","","","has coordinates","242535","2020-10-21","18:00:00",""
"4132592","14.747","0.0004","14.747","0.0004","6.6608","0.0003","90","","90","","120","","1254.48","0.07","173","2","173","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0394","0.0289","","","0.0585","0.0604","","","","","","1.043","","","","has coordinates","242536","2020-10-21","18:00:00",""
"4132593","15.0014","0.0006","15.0014","0.0006","6.7669","0.0003","90","","90","","120","","1318.82","0.09","423","2","423","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H30 Br7 Mn2 N3 -","- C9 H30 Br7 Mn2 N3 -","- C18 H60 Br14 Mn4 N6 -","2","0.166667","","Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen","Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>).","Journal of the American Chemical Society","2018","140","26","8110","8113","10.1021/jacs.8b05037","","","0.71073","MoKα","","0.0825","0.0427","","","0.0707","0.0774","","","","","","1.048","","","","has coordinates","242537","2020-10-21","18:00:00",""
"4132594","9.0108","0.0004","10.7633","0.0004","16.4963","0.0006","75.572","0.002","76.098","0.002","66.854","0.002","1406.42","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","LCM1/Acid","sarpong103","","- C27 H39 Br O6 Si -","- C27 H39 Br O6 Si -","- C54 H78 Br2 O12 Si2 -","2","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54178","CuKα","","0.0366","0.035","","","0.0948","0.0964","","","","","","1.051","","","","has coordinates","242538","2020-10-21","18:00:00",""
"4132595","10.7865","0.0002","12.1566","0.0002","14.757","0.0003","90","","90","","90","","1935.04","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl3 N O2 -","- C20 H26 Cl3 N O2 -","- C80 H104 Cl12 N4 O8 -","4","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54184","CuKα","","0.0479","0.0452","","","0.1213","0.1228","","","","","","1.072","","","","has coordinates","242540","2020-10-21","18:00:00",""
"4132596","15.6465","0.0004","16.924","0.0004","19.6011","0.0005","90","","90","","90","","5190.4","0.2","100","2","100.04","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H48 Cl7 Cu Fe N2 O2 -","- C57 H48 Cl7 Cu Fe N2 O2 -","- C228 H192 Cl28 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","0.71073","MoKα","","0.0574","0.0479","","","0.1319","0.1371","","","","","","1.071","","","","has coordinates","242542","2020-10-21","18:00:00",""
"4132597","18.3929","0.0016","9.5949","0.0008","18.9878","0.0017","90","","96.359","0.005","90","","3330.3","0.5","250","2","249.99","","","","","","","","","7","P 1 2 1","P 2y","3","","","","- C34 H34 Cl Cu Fe N2 O -","- C34 H34 Cl Cu Fe N2 O -","- C136 H136 Cl4 Cu4 Fe4 N8 O4 -","4","2","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.134","0.0691","","","0.163","0.2034","","","","","","0.972","","","","has coordinates","242543","2020-10-21","18:00:00",""
"4132598","11.4799","0.001","15.0428","0.0013","15.3127","0.0013","90","","90","","90","","2644.3","0.4","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl Cu Fe N2 O2 -","- C29 H32 Cl Cu Fe N2 O2 -","- C116 H128 Cl4 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0211","0.0211","","","0.0558","0.0558","","","","","","1.058","","","","has coordinates","242544","2020-10-21","18:00:00",""
"4132599","10.9592","0.0017","9.3307","0.0012","16.2386","0.0019","90","","91.805","0.011","90","","1659.7","0.4","100","2","100.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 B N3 O5 -","- C35 H46 B N3 O5 -","- C70 H92 B2 N6 O10 -","2","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0989","0.0574","","","0.1173","0.1361","","","","","","0.989","","","","has coordinates","242545","2020-10-21","18:00:00",""
"4132600","16.6368","0.0005","18.0871","0.0006","19.3244","0.0007","84.612","0.003","80.119","0.003","64.846","0.003","5184","0.3","180","2","180.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.77 H59.54 N2 O15 Yb2 -","- C70.78 H59.56 N2 O15 Yb2 -","- C141.56 H119.12 N4 O30 Yb4 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0735","0.059","","","0.1611","0.1744","","","","","","0.964","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"4132601","10.4209","0.0003","7.9301","0.0002","18.7758","0.0005","90","","104.06","0.003","90","","1505.13","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 O6 S2 -","- C34 H32 O6 S2 -","- C68 H64 O12 S4 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.05","0.0486","","","0.1298","0.1311","","","","","","1.044","","","","has coordinates","242548","2020-10-21","18:00:00",""
"4132602","9.2901","0.0005","13.6758","0.0007","14.4243","0.0008","66.913","0.005","74.315","0.005","74.609","0.004","1596.55","0.16","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0548","0.0418","","","0.103","0.1132","","","","","","1.017","","","","has coordinates","242549","2020-10-21","18:00:00",""
"4132603","10.6198","0.0003","12.0108","0.0003","12.5761","0.0003","90","","96.716","0.002","90","","1593.1","0.07","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","0.5","","Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane","On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.","Journal of the American Chemical Society","2018","140","34","10820","10828","10.1021/jacs.8b05047","","x-ray","1.54184","CuKα","","0.0507","0.0404","","","0.1004","0.1082","","","","","","1.043","","","","has coordinates","242550","2020-10-21","18:00:00",""
"4132604","12.9712","0.001","7.0406","0.0005","13.2586","0.0009","90","","102.884","0.005","90","","1180.36","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H17.5 N0.5 O2 -","- C13 H17.25 N0.5 O2 -","- C52 H69 N2 O8 -","4","2","","Kapoor, Mohit; Liu, Daniel; Young, Michael C.","Carbon Dioxide-Mediated C(sp<sup>3</sup>)-H Arylation of Amine Substrates.","Journal of the American Chemical Society","2018","140","22","6818","6822","10.1021/jacs.8b05061","","","1.54178","CuKα","","0.0429","0.04","","","0.1204","0.1233","","","","","","1.089","","","","has coordinates","242551","2020-10-21","18:00:00",""
"4132605","43.0969","0.0006","37.9996","0.0004","36.5407","0.0006","90","","110.741","0.002","90","","55963.2","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C450.5 H382.5 B16 F88 Fe8 N76 -","- C450.5 H382.5 B11.15 F68.6 Fe8 N76 -","- C1802 H1530 B44.6 F274.4 Fe32 N304 -","4","1","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1618","0.1462","","","0.381","0.3952","","","","","","1.056","","","","has coordinates,has disorder","242552","2020-10-21","18:00:00",""
"4132606","49.486","0.01","28.207","0.006","48.662","0.009","90","","96.856","0.002","90","","67439","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C640 H639 F138 Fe8 N86 P19 -","- C640 H639 F138 Fe8 N86 P19 -","- C2560 H2556 F552 Fe32 N344 P76 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","synchrotron","","0.1679","0.1279","","","0.3491","0.3932","","","","","","1.236","","","","has coordinates,has disorder","242553","2020-10-21","18:00:00",""
"4132607","36.2842","0.0007","36.3797","0.0006","49.0016","0.0009","90","","95.956","0.002","90","","64333","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C490 H507 F108 Fe8 N75 O24 P18 -","- C490 H507 F78.6 Fe8 N75 O24 P13.1 -","- C1960 H2028 F314.4 Fe32 N300 O96 P52.4 -","4","0.5","","Roberts, Derrick A.; Pilgrim, Ben S.; Sirvinskaite, Giedre; Ronson, Tanya K.; Nitschke, Jonathan R.","Covalent Post-assembly Modification Triggers Multiple Structural Transformations of a Tetrazine-Edged Fe<sub>4</sub>L<sub>6</sub> Tetrahedron.","Journal of the American Chemical Society","2018","140","30","9616","9623","10.1021/jacs.8b05082","","","0.6889","Synchrotron","","0.1796","0.1607","","","0.4251","0.4404","","","","","","1.165","","","","has coordinates,has disorder","242554","2020-10-21","18:00:00",""
"4132608","6.9433","0.0003","11.2978","0.0011","22.534","0.003","90","","90","","90","","1767.7","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C18 H14 Fe O7 -","- C18 H14 Fe O7 -","- C72 H56 Fe4 O28 -","4","1","","Zhuo, Chun-Xiang; Fürstner, Alois","Catalysis-Based Total Syntheses of Pateamine A and DMDA-Pat A.","Journal of the American Chemical Society","2018","140","33","10514","10523","10.1021/jacs.8b05094","","","","","","","","","","","","","","","","","","","","","has coordinates","242555","2020-10-21","18:00:00",""
"4132609","9.816","0.003","18.649","0.004","11.003","0.002","90","","98.09","0.006","90","","1994.1","0.8","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Kerkovius, Jeff K.; Kerr, Michael A.","Total Synthesis of Isodihydrokoumine, (19 Z)-Taberpsychine, and (4 R)-Isodihydroukoumine N<sub>4</sub>-Oxide.","Journal of the American Chemical Society","2018","140","27","8415","8419","10.1021/jacs.8b05095","","","1.54178","CuKα","","0.0927","0.0812","","","0.2478","0.2613","","","","","","1.07","","","","has coordinates,has disorder","242556","2020-10-21","18:00:00",""
"4132610","9.9399","0.0006","13.1293","0.0007","13.1412","0.0007","114.292","0.002","101.059","0.002","90.719","0.002","1526.07","0.15","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","- C72 H60 Ag2 N6 P4 -","1","0.5","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.0613","0.0416","","","0.0798","0.086","","","","","","1.03","","","","has coordinates","242557","2020-10-21","18:00:00",""
"4132611","22.291","0.011","5.553","0.003","6.631","0.003","90","","90","","90","","820.8","0.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Ag2 N4 -","- C6 H6 Ag2 N4 -","- C24 H24 Ag8 N16 -","4","1","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.1137","0.0903","","","0.2028","0.2186","","","","","","1.186","","","","has coordinates","242558","2020-10-21","18:00:00",""
"4132612","39.554","0.003","39.554","0.003","16.43","0.0015","90","","90","","120","","22261","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C94 H53.6 O33.7 V1.1 Zr6 -","- C94 H53.6 O33.12 V1.02 Zr6 -","- C282 H160.8 O99.36 V3.06 Zr18 -","3","0.125","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0963","0.0727","","","0.2307","0.2487","","","","","","1.098","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132613","34.9765","0.001","34.9765","0.001","34.9765","0.001","90","","90","","90","","42789","2","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.1 V1.5 -","- C18 H6 Hf6 O33.0792 V1.5 -","- C288 H96 Hf96 O529.267 V24 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","1.54178","CuKα","","0.0411","0.0354","","","0.1277","0.1312","","","","","","1.165","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132614","34.893","0.003","34.893","0.003","34.893","0.003","90","","90","","90","","42483","6","100","2","100","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.4 V1.44 -","- C18 H6 Hf6 O34.3992 V1.44 -","- C288 H96 Hf96 O550.387 V23.04 -","16","0.0833333","","Otake, Ken-Ichi; Cui, Yuexing; Buru, Cassandra T.; Li, Zhanyong; Hupp, Joseph T.; Farha, Omar K.","Single-Atom-Based Vanadium Oxide Catalysts Supported on Metal-Organic Frameworks: Selective Alcohol Oxidation and Structure-Activity Relationship.","Journal of the American Chemical Society","2018","140","28","8652","8656","10.1021/jacs.8b05107","","","0.71073","MoKα","","0.0608","0.0403","","","0.1063","0.114","","","","","","1.02","","","","has coordinates,has disorder","242559","2020-10-21","18:00:00",""
"4132615","22.0129","0.0015","17.2789","0.0012","17.2384","0.0011","90","","115.933","0.004","90","","5896.5","0.7","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 Cl Co F12 N5 P2 -","- C27 H23 Cl Co F12 N5 P2 -","- C216 H184 Cl8 Co8 F96 N40 P16 -","8","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","1.54178","CuKα","","0.0877","0.0714","","","0.148","0.1584","","","","","","1.133","","","","has coordinates","242560","2020-10-21","18:00:00",""
"4132616","14.6956","0.0019","17.882","0.003","25.751","0.003","90","","100.363","0.004","90","","6656.6","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H57 Co2 F30 N10 O6 P5 -","- C54 H57 Co2 F30 N10 O6 P5 -","- C216 H228 Co8 F120 N40 O24 P20 -","4","1","","Wang, Ping; Liang, Guangchao; Reddy, M. Ramana; Long, Melissa; Driskill, Kandria; Lyons, Christian; Donnadieu, Bruno; Bollinger, John C.; Webster, Charles Edwin; Zhao, Xuan","Electronic and Steric Tuning of Catalytic H<sub>2</sub> Evolution by Cobalt Complexes with Pentadentate Polypyridyl-Amine Ligands.","Journal of the American Chemical Society","2018","140","29","9219","9229","10.1021/jacs.8b05108","","","0.71073","MoKα","","0.0832","0.0575","","","0.1626","0.1902","","","","","","1.061","","","","has coordinates,has disorder","242561","2020-10-21","18:00:00",""
"4132617","11.6372","0.0004","44.6425","0.0016","20.0826","0.0007","90","","96.7742","0.0011","90","","10360.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Cl N5 O P2 Ru -","- C41 H32 Cl N5 O P2 Ru -","- C492 H384 Cl12 N60 O12 P24 Ru12 -","12","3","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0806","0.0436","","","0.096","0.1143","","","","","","1.014","","","","has coordinates,has disorder","242562","2020-10-21","18:00:00",""
"4132618","11.4147","0.0003","24.3387","0.0008","13.5456","0.0004","90","","92.1539","0.0011","90","","3760.57","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl4 N5 P2 Ru -","- C41 H33 Cl4 N5 P2 Ru -","- C164 H132 Cl16 N20 P8 Ru4 -","4","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0399","0.0278","","","0.0666","0.0722","","","","","","1.041","","","","has coordinates,has disorder","242563","2020-10-21","18:00:00",""
"4132619","23.2935","0.0015","10.5714","0.0007","15.8503","0.001","90","","116.124","0.002","90","","3504.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N5 P -","- C22 H16 N5 P -","- C176 H128 N40 P8 -","8","1","","Tanushi, Akira; Radosevich, Alexander T.","Insertion of a Nontrigonal Phosphorus Ligand into a Transition Metal-Hydride: Direct Access to a Metallohydrophosphorane.","Journal of the American Chemical Society","2018","140","26","8114","8118","10.1021/jacs.8b05156","","","0.71073","MoKα","","0.0523","0.0397","","","0.1028","0.11","","","","","","1.035","","","","has coordinates","242565","2020-10-21","18:00:00",""
"4132620","13.644","0.0018","10.2135","0.0013","21.876","0.003","90","","100.755","0.008","90","","2994.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C132 H92 B4 F40 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1154","0.0579","","","0.1578","0.2067","","","","","","0.999","","","","has coordinates","242566","2020-10-21","18:00:00",""
"4132621","19.669","0.006","10.679","0.002","20.378","0.004","90","","117.285","0.007","90","","3804.1","1.6","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H13 B F10 S -","- C19 H13 B F10 S -","- C152 H104 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0876","0.0473","","","0.0969","0.111","","","","","","1.021","","","","has coordinates","242568","2020-10-21","18:00:00",""
"4132622","18.681","0.0016","11.4846","0.0016","28.874","0.003","90","","108.779","0.005","90","","5865","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 B F10 S -","- C33 H23 B F10 S -","- C264 H184 B8 F80 S8 -","8","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.0625","0.0422","","","0.1079","0.1244","","","","","","1.062","","","","has coordinates","242569","2020-10-21","18:00:00",""
"4132623","7.6225","0.0016","12.48","0.003","13.343","0.003","99.233","0.005","102.536","0.005","98.225","0.006","1202","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 B F10 S -","- C25 H17 B F10 S -","- C50 H34 B2 F20 S2 -","2","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1575","0.0559","","","0.1219","0.1758","","","","","","1.012","","","","has coordinates","242570","2020-10-21","18:00:00",""
"4132624","9.3368","0.0006","17.8578","0.0009","16.328","0.0011","90","","101.12","0.002","90","","2671.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B F10 N S -","- C28 H20 B F10 N S -","- C112 H80 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.111","0.0504","","","0.0965","0.1203","","","","","","1.005","","","","has coordinates","242571","2020-10-21","18:00:00",""
"4132625","10.054","0.003","12.313","0.004","23.109","0.007","90","","97.593","0.016","90","","2835.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F10 N S -","- C30 H22 B F10 N S -","- C120 H88 B4 F40 N4 S4 -","4","1","","Fan, Louie; Jupp, Andrew R.; Stephan, Douglas W.","Remote Stereochemistry of a Frustrated Lewis Pair Provides Thermal and Photochemical Control of Reactivity.","Journal of the American Chemical Society","2018","140","26","8119","8123","10.1021/jacs.8b05176","","","0.71073","MoKα","","0.1286","0.0603","","","0.1613","0.2344","","","","","","1.068","","","","has coordinates","242572","2020-10-21","18:00:00",""
"4132626","14.2598","0.0006","11.7679","0.0005","15.0014","0.0007","90","","106.365","0.005","90","","2415.37","0.19","293.94","0.19","293.94","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Ag2 Cl6 N4 S2 -","- C42 H52 Ag2 Cl6 N4 S2 -","- C84 H104 Ag4 Cl12 N8 S4 -","2","0.5","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.0809","0.053","","","0.1249","0.1433","","","","","","1.033","","","","has coordinates","242573","2020-10-21","18:00:00",""
"4132627","12.3475","0.0008","7.5762","0.0007","23.0412","0.0016","90","","104.263","0.007","90","","2089","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H25 Cl2 Cu N2 S -","- C20.5 H25 Cl2 Cu N2 S -","- C82 H100 Cl8 Cu4 N8 S4 -","4","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","0.71073","MoKα","","0.1138","0.068","","","0.1294","0.1621","","","","","","1.062","","","","has coordinates,has disorder","242574","2020-10-21","18:00:00",""
"4132628","8.5453","0.0003","10.0951","0.0003","12.3151","0.0004","104.024","0.003","106.985","0.003","94.21","0.003","973.77","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Au Cl N2 S -","- C20 H24 Au Cl N2 S -","- C40 H48 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0241","0.0239","","","0.0614","0.0616","","","","","","1.115","","","","has coordinates","242575","2020-10-21","18:00:00",""
"4132629","22.3899","0.0002","17.9598","0.0001","18.6379","0.0002","90","","111.629","0.001","90","","6966.94","0.12","99.97","0.1","99.97","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Au Cl O2 P2 S2 -","- C30 H50 Au Cl O2 P2 S2 -","- C240 H400 Au8 Cl8 O16 P16 S16 -","8","2","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.041","0.0363","","","0.0896","0.0942","","","","","","1.085","","","","has coordinates,has disorder","242576","2020-10-21","18:00:00",""
"4132630","32.2745","0.0012","7.7536","0.0002","23.0815","0.0007","90","","109.981","0.004","90","","5428.3","0.3","99.9","0.2","99.9","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 Au Cl3 N2 S -","- C27 H30 Au Cl3 N2 S -","- C216 H240 Au8 Cl24 N16 S8 -","8","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0618","0.0586","","","0.1494","0.1522","","","","","","1.034","","","","has coordinates,has disorder","242577","2020-10-21","18:00:00",""
"4132631","9.34","0.0005","9.4284","0.0005","9.9843","0.0005","80.472","0.004","72.891","0.005","73.52","0.004","802.56","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Au Cl N2 S -","- C14 H20 Au Cl N2 S -","- C28 H40 Au2 Cl2 N4 S2 -","2","1","","Doud, Evan A.; Inkpen, Michael S.; Lovat, Giacomo; Montes, Enrique; Paley, Daniel W.; Steigerwald, Michael L.; Vázquez, Héctor; Venkataraman, Latha; Roy, Xavier","In Situ Formation of N-Heterocyclic Carbene-Bound Single-Molecule Junctions.","Journal of the American Chemical Society","2018","140","28","8944","8949","10.1021/jacs.8b05184","","x-ray","1.54184","CuKα","","0.0419","0.0406","","","0.1037","0.1055","","","","","","1.064","","","","has coordinates","242578","2020-10-21","18:00:00",""
"4132632","17.2695","0.0012","8.4949","0.0006","21.739","0.0015","90","","108.14","0.003","90","","3030.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C120 H216 N12 O12 -","6","3","","Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.","Correction to ""Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes"".","Journal of the American Chemical Society","2018","140","24","7746","","10.1021/jacs.8b05247","","","1.54178","CuKα","","0.0387","0.0363","","","0.0969","0.0991","","","","","","1.047","","","","has coordinates","242579","2020-10-21","18:00:00",""
"4132633","20.7123","0.0012","20.7123","0.0012","20.7123","0.0012","90","","90","","90","","8885.6","0.9","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O29.36 Zr6 -","- C170.88 H101.44 O117.44 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","synchrotron","","0.0223","0.0214","","","0.0569","0.0578","","","","","","1.196","","","","has coordinates,has disorder","242580","2020-10-21","18:00:00",""
"4132634","40.561","0.006","40.561","0.006","40.561","0.006","90","","90","","90","","66731","17","100.15","","100.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004_100K_DMf","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.1146","0.066","","","0.1853","0.292","","","","","","1.198","","","","has coordinates","242581","2020-10-21","18:00:00",""
"4132635","26.8422","0.0006","26.8422","0.0006","26.8422","0.0006","90","","90","","90","","19339.9","0.7","260.15","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.716 H40.96 O32 Zr6 -","- C258.864 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0303","0.026","","","0.0719","0.0737","","","","","","1.181","","","","has coordinates,has disorder","242582","2020-10-21","18:00:00",""
"4132636","20.7439","0.0006","20.7439","0.0006","20.7439","0.0006","90","","90","","90","","8926.3","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Uio-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","","","0.044","0.0361","","","0.1035","0.1101","","","","","","1.095","","","","has coordinates,has disorder","242583","2020-10-21","18:00:00",""
"4132637","41.367","0.005","41.367","0.005","41.367","0.005","90","","90","","90","","70788","15","290","","290.15","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","MOF-1004","","- C132 H64 O27 Zr6 -","- C132 H64 O32 Zr6 -","- C792 H384 O192 Zr36 -","6","0.125","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","synchrotron","","0.0476","0.0419","","","0.1155","0.124","","","","","","1.059","","","","has coordinates","242584","2020-10-21","18:00:00",""
"4132638","26.684","0.0014","26.684","0.0014","26.684","0.0014","90","","90","","90","","19000","1.7","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C64.5 H41 O28.5 Zr6 -","- C64.68 H40.96 O32 Zr6 -","- C258.72 H163.84 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","1.54178","CuKα","","0.0572","0.0486","","","0.1148","0.1206","","","","","","1.166","","","","has coordinates,has disorder","242585","2020-10-21","18:00:00",""
"4132639","20.7549","0.0006","20.7549","0.0006","20.7549","0.0006","90","","90","","90","","8940.5","0.4","100.15","","100.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-66","","- C42.7 H25.4 O32.04 Zr6 -","- C42.72 H25.36 O32 Zr6 -","- C170.88 H101.44 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","x-ray","0.7288","Synchrotron","","0.0439","0.0384","","","0.1008","0.1043","","","","","","1.104","","","","has coordinates,has disorder","242586","2020-10-21","18:00:00",""
"4132640","26.8341","0.0017","26.8341","0.0017","26.8341","0.0017","90","","90","","90","","19322","2","260","","260.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67","","- C84 H52 O32 Zr6 -","- C80.64 H50.08 O32 Zr6 -","- C322.56 H200.32 O128 Zr24 -","4","0.0208333","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","0.7749","synchrotron","","0.0563","0.0527","","","0.1512","0.1549","","","","","","1.201","","","","has coordinates,has disorder","242587","2020-10-21","18:00:00",""
"4132641","38.764","0.003","38.764","0.003","38.764","0.003","90","","90","","90","","58249","8","290","2","290.15","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","MOF-1005","","- C144 H72 O38.4 Zr7.2 -","- C144 H72 O38.4 Zr7.2 -","- C432 H216 O115.2 Zr21.6 -","3","0.0625","","Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.","Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","28","8958","8964","10.1021/jacs.8b05271","","","1.1271","","","0.1851","0.156","","","0.4181","0.4636","","","","","","2.234","","","","has coordinates,has disorder","242588","2020-10-21","18:00:00",""
"4132642","10.1551","0.0004","15.5316","0.0008","20.0248","0.0011","90","","90.702","0.004","90","","3158.2","0.3","192.99","0.1","192.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H36 F3 O21 S V6 -","- C13 H36 F3 O21 S V6 -","- C52 H144 F12 O84 S4 V24 -","4","1","","Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.","Oxygen-Atom Vacancy Formation at Polyoxovanadate Clusters: Homogeneous Models for Reducible Metal Oxides.","Journal of the American Chemical Society","2018","140","27","8424","8428","10.1021/jacs.8b05298","","x-ray","1.54184","CuKα","","0.0684","0.0568","","","0.1498","0.1598","","","","","","1.065","","","","has coordinates,has disorder","242589","2020-10-21","18:00:00",""
"4132643","33.494","0.003","33.494","0.003","17.224","0.0017","90","","90","","120","","16734","3","100","2","100.01","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C264 H252 F12 N36 P2 -","- C264 H252 F12.0012 N36 P2.0002 -","- C792 H756 F36.0036 N108 P6.0006 -","3","0.166667","","Liu, Zhichang; Frasconi, Marco; Liu, Wei-Guang; Zhang, Yu; Dyar, Scott M.; Shen, Dengke; Sarjeant, Amy A.; Goddard, 3rd, William A; Wasielewski, Michael R.; Stoddart, J. Fraser","Mixed-Valence Superstructure Assembled from a Mixed-Valence Host-Guest Complex.","Journal of the American Chemical Society","2018","140","30","9387","9391","10.1021/jacs.8b05322","","","1.54178","CuKα","","0.06","0.0534","","","0.1722","0.1809","","","","","","1.096","","","","has coordinates,has disorder","242590","2020-10-21","18:00:00",""
"4132644","10.983","0.0004","16.5417","0.0007","9.7709","0.0006","90","","102.979","0.001","90","","1729.8","0.14","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H20 O6 S -","- C17 H20 O6 S -","- C68 H80 O24 S4 -","4","1","","Huang, Hanchu; Sun, Bohan; Huang, Yingzi; Niu, Jia","Radical Cascade-Triggered Controlled Ring-Opening Polymerization of Macrocyclic Monomers.","Journal of the American Chemical Society","2018","140","33","10402","10406","10.1021/jacs.8b05365","","","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.019","","","","has coordinates","242591","2020-10-21","18:00:00",""
"4132645","10.9353","0.0011","13.4608","0.0014","14.6526","0.0015","90","","90","","90","","2156.8","0.4","190","2","190","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H37 N Si Ti -","- C21 H37 N Si Ti -","- C84 H148 N4 Si4 Ti4 -","4","0.5","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0598","0.0518","","","0.1397","0.1494","","","","","","1.023","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132646","11.1297","0.0015","13.3297","0.0018","29.346","0.004","90","","90.0065","0.0017","90","","4353.6","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 N Si Zr -","- C21 H37 N Si Zr -","- C168 H296 N8 Si8 Zr8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0327","0.0297","","","0.0905","0.0957","","","","","","1.144","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132647","11.0664","0.0014","13.3567","0.0017","29.381","0.004","90","","90.0186","0.0016","90","","4342.8","1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Hf N Si -","- C21 H37 Hf N Si -","- C168 H296 Hf8 N8 Si8 -","8","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0267","0.0255","","","0.0597","0.0604","","","","","","1.189","","","","has coordinates,has disorder","242592","2020-10-21","18:00:00",""
"4132648","19.119","0.002","10.0925","0.0012","17.663","0.002","90","","104.751","0.002","90","","3295.9","0.6","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 N3 Si Ti -","- C31 H55 N3 Si Ti -","- C124 H220 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0696","0.0442","","","0.1101","0.1265","","","","","","0.969","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132649","9.827","0.002","16.38","0.003","16.788","0.003","90","","93.032","0.003","90","","2698.5","0.9","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Hf N2 Si -","- C26 H46 Hf N2 Si -","- C104 H184 Hf4 N8 Si4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0239","0.0182","","","0.0424","0.0447","","","","","","1.038","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132650","10.0272","0.0003","11.4817","0.0004","14.1819","0.0005","79.88","","77.87","","86.752","0.001","1571.13","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 Hf N3 Si -","- C31 H55 Hf N3 Si -","- C62 H110 Hf2 N6 Si2 -","2","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0203","0.0186","","","0.0448","0.0457","","","","","","1.045","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132651","13.7387","0.0006","14.6755","0.0007","18.1687","0.0008","84.7857","0.0006","77.1608","0.0006","89.5164","0.0006","3556.6","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Hf N3 Si -","- C39 H55 Hf N3 Si -","- C156 H220 Hf4 N12 Si4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0456","0.0345","","","0.077","0.081","","","","","","1.107","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132652","13.7071","0.0016","14.6675","0.0017","18.238","0.002","84.8197","0.0017","77.1803","0.0017","89.5273","0.0017","3560.5","0.7","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 N3 Si Zr -","- C39 H55 N3 Si Zr -","- C156 H220 N12 Si4 Zr4 -","4","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0793","0.0652","","","0.1796","0.1928","","","","","","1.134","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132653","42.519","0.003","9.1392","0.0007","31.749","0.002","90","","127.762","0.0009","90","","9753.4","1.2","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H42 N2 Si Ti -","- C22 H42 N2 Si Ti -","- C352 H672 N32 Si16 Ti16 -","16","2","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0812","0.0593","","","0.1531","0.1688","","","","","","1.034","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132654","10.297","0.004","15.025","0.005","19.462","0.007","90","","101.74","0.005","90","","2948","1.8","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H51 N3 Si Ti -","- C27 H51 N3 Si Ti -","- C108 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0683","0.0635","","","0.1741","0.1811","","","","","","1.128","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132655","16.28","0.002","10.6344","0.0014","18.997","0.003","90","","108.879","0.002","90","","3112","0.7","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 N3 Si Ti -","- C31 H51 N3 Si Ti -","- C124 H204 N12 Si4 Ti4 -","4","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0681","0.044","","","0.1152","0.1297","","","","","","1.017","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132656","16.882","0.003","11.9432","0.0019","30.22","0.005","90","","90","","90","","6093.1","1.8","230","2","230","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H51 Hf N3 Si -","- C27 H51 Hf N3 Si -","- C216 H408 Hf8 N24 Si8 -","8","1","","Chen, Jiawei; Yassin, Nadine; Gunasekara, Thilina; Norton, Jack R.; Rauch, Michael","Insertion of Isonitriles into the M-C Bonds of Group 4 Dialkyl Complexes.","Journal of the American Chemical Society","2018","140","28","8980","8989","10.1021/jacs.8b05377","","","0.71073","MoKα","","0.0322","0.0238","","","0.0543","0.0592","","","","","","1.104","","","","has coordinates","242592","2020-10-21","18:00:00",""
"4132657","8.9983","0.0011","9.3045","0.0015","9.3473","0.001","110.886","0.012","93.34","0.01","100.809","0.012","711.5","0.18","245","6","245","6","","","","","","","","6","P 1","P 1","1","","","","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","- C26 H28 Br Cl3 N4 O3 -","1","1","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","0.71073","MoKα","","0.0709","0.0479","","","0.088","0.1008","","","","","","1.03","","","","has coordinates","242593","2020-10-21","18:00:00",""
"4132658","11.494","0.0002","11.7725","0.0002","12.7954","0.0003","78.086","0.001","76.309","0.001","77.663","0.001","1621.03","0.06","150","2","149.99","","","","","","","","","4","P 1","P 1","1","","","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","2","","Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao","Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.","Journal of the American Chemical Society","2018","140","32","10099","10103","10.1021/jacs.8b05386","","","1.54178","CuKα","","0.0516","0.0468","","","0.1136","0.1196","","","","","","1.089","","","","has coordinates","242594","2020-10-21","18:00:00",""
"4132659","10.258","0.004","10.444","0.004","13.218","0.006","84.484","0.014","81.981","0.018","81.287","0.013","1382","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B Fe N3 O4 -","- C29 H34 B Fe N3 O4 -","- C58 H68 B2 Fe2 N6 O8 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0529","0.0367","","","0.0769","0.083","","","","","","1.039","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132660","17.203","0.007","10.435","0.004","17.352","0.006","90","","110.324","0.019","90","","2921","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B Cr N3 O5 -","- C30 H34 B Cr N3 O5 -","- C120 H136 B4 Cr4 N12 O20 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0914","0.0478","","","0.0848","0.0993","","","","","","1.026","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132661","19.2348","0.0013","11.0028","0.0007","29.4015","0.0015","90","","90","","90","","6222.4","0.7","100","2","100","2","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C63 H76 B Cu F3 Fe N5 O7 S -","- C63 H76 B Cu F3 Fe N5 O7 S -","- C252 H304 B4 Cu4 F12 Fe4 N20 O28 S4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0661","0.0504","","","0.1068","0.1115","","","","","","1.061","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132662","17.23","0.005","10.613","0.003","17.382","0.005","90","","110.349","0.01","90","","2980.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B N3 O5 W -","- C30 H34 B N3 O5 W -","- C120 H136 B4 N12 O20 W4 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0482","0.0265","","","0.0422","0.0469","","","","","","1.024","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132663","10.426","0.004","10.476","0.004","13.17","0.004","82.804","0.012","84.581","0.012","81.381","0.016","1406.8","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B N3 O4 Ru -","- C29 H34 B N3 O4 Ru -","- C58 H68 B2 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0252","0.0223","","","0.0574","0.0592","","","","","","1.107","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132664","19.425","0.006","21.843","0.008","25.309","0.008","90","","90","","90","","10739","6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H68 B2 Br4 N6 -","- C50 H68 B2 Br4 N6 -","- C400 H544 B16 Br32 N48 -","8","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0582","0.033","","","0.0724","0.0834","","","","","","1.017","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132665","12.069","0.006","15.099","0.007","16.022","0.007","74.434","0.015","73.19","0.02","83.7","0.02","2691","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H43 B2 F15 N3 O4 Ru -","- C56 H43 B2 F15 N3 O4 Ru -","- C112 H86 B4 F30 N6 O8 Ru2 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0376","0.0277","","","0.0628","0.0679","","","","","","1.093","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132666","17.02","0.007","12.696","0.005","11.809","0.005","90","","90.977","0.017","90","","2551.4","1.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H41 B Br2 N2 -","- C24 H41 B Br2 N2 -","- C96 H164 B4 Br8 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0683","0.06","","","0.1558","0.1599","","","","","","1.113","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132667","29.725","0.003","8.1656","0.0008","18.9301","0.0018","90","","90","","90","","4594.8","0.8","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16.67 H22.67 B0.67 N2 -","- C16.6667 H22.6667 B0.666667 N2 -","- C200 H272 B8 N24 -","12","1.5","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0579","0.046","","","0.1105","0.1178","","","","","","1.072","","","","has coordinates,has disorder","242595","2020-10-21","18:00:00",""
"4132668","8.5109","0.0007","17.7724","0.0014","14.743","0.0012","90","","98.972","0.002","90","","2202.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 B N2 -","- C24 H41 B N2 -","- C96 H164 B4 N8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0523","0.042","","","0.1039","0.1126","","","","","","1.037","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132669","9.4346","0.0004","24.9229","0.0007","14.8706","0.0006","90","","99.894","0.003","90","","3444.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H49 B Cl2 N2 Si2 -","- C26 H49 B Cl2 N2 Si2 -","- C104 H196 B4 Cl8 N8 Si8 -","4","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.0576","0.0403","","","0.0946","0.1028","","","","","","1.028","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132670","9.18","0.008","9.199","0.007","20.177","0.016","98.295","0.019","92.95","0.03","117.259","0.018","1485","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H49 B Cl N2 Si2 -","- C26 H49 B Cl N2 Si2 -","- C52 H98 B2 Cl2 N4 Si4 -","2","1","","Pranckevicius, Conor; Jimenéz-Halla, J Oscar C; Kirsch, Marius; Krummenacher, Ivo; Braunschweig, Holger","Complexation and Release of N-Heterocyclic Carbene-Aminoborylene Ligands from Group VI and VIII Metals.","Journal of the American Chemical Society","2018","140","33","10524","10529","10.1021/jacs.8b05398","","","0.71073","MoKα","","0.04","0.0325","","","0.079","0.0835","","","","","","1.07","","","","has coordinates","242595","2020-10-21","18:00:00",""
"4132671","10.3571","0.0005","11.0882","0.0004","14.0186","0.0007","92.908","0.003","101.465","0.004","90.026","0.003","1575.67","0.13","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H23 N -","- C20 H23 N -","- C80 H92 N4 -","4","2","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0848","0.0842","","","0.1516","0.1519","","","","","","1.055","","","","has coordinates","242598","2020-10-21","18:00:00",""
"4132672","12.9391","0.0004","8.796","0.0002","13.4951","0.0004","90","","104.676","0.003","90","","1485.8","0.07","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0748","0.0743","","","0.1447","0.145","","","","","","1.044","","","","has coordinates","242599","2020-10-21","18:00:00",""
"4132673","3.9327","0.0002","20.3504","0.0008","12.8881","0.0005","90","","95.764","0.004","90","","1026.25","0.08","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Cl N -","- C13 H10 Cl N -","- C52 H40 Cl4 N4 -","4","1","","Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V.","Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes.","Journal of the American Chemical Society","2018","140","27","8434","8438","10.1021/jacs.8b05421","","x-ray","0.71073","MoKα","","0.0871","0.0854","","","0.1478","0.1486","","","","","","1.171","","","","has coordinates","242600","2020-10-21","18:00:00",""
"4132674","7.82299","0.00016","17.3405","0.0004","13.9697","0.0003","90","","96.824","0.002","90","","1881.63","0.07","160","1","160","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","x-ray","0.71073","MoKα","","0.0621","0.0524","","","0.1461","0.153","","","","","","1.037","","","","has coordinates","242601","2020-10-21","18:00:00",""
"4132675","9.2601","0.0011","14.986","0.0011","14.9657","0.0014","90","","107.491","0.004","90","","1980.8","0.3","123","","123","","","","","","","","P. Ravat","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 O2 -","- C30 H22 O2 -","- C120 H88 O8 -","4","0.5","","Ravat, Prince; Šolomek, Tomáš; Häussinger, Daniel; Blacque, Olivier; Juríček, Michal","Dimethylcethrene: A Chiroptical Diradicaloid Photoswitch.","Journal of the American Chemical Society","2018","140","34","10839","10847","10.1021/jacs.8b05465","","","1.54178","CuKα","","0.0357","0.0354","","0.083","0.0826","0.083","","","","","","0.9553","","","","has coordinates","242602","2020-10-21","18:00:00",""
"4132676","23.143","0.008","15.393","0.005","12.944","0.005","90","","90","","90","","4611","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","MeMeCH2x2DEF","","","- C50 H62 N2 O10 -","- C49.996 H64 N2 O9.996 -","- C199.984 H256 N8 O39.984 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0865","0.0674","","","0.214","0.237","","","","","","0.925","","","","has coordinates","242603","2020-10-21","18:00:00",""
"4132677","15.482","0.003","16.274","0.003","15.976","0.003","90","","90","","90","","4025.2","1.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","MeMeCH2x2DMF","","","- C46 H54 N2 O10 -","- C46 H54 N2 O10 -","- C184 H216 N8 O40 -","4","0.5","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","x-ray","0.71073","MoKα","","0.0559","0.0506","","","0.1145","0.1161","","","","","","1.238","","","","has coordinates","242604","2020-10-21","18:00:00",""
"4132678","28.6715","0.0014","28.6715","0.0014","28.6715","0.0014","90","","90","","90","","23570","2","100","2","100","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","MeMeCH2@rhoZnIm2-xDMF","xMeMeCH2@rhoZn16Im32-xDMF","","- C208 H304 N88 O32 Zn16 -","- C136 H140 N64 O8 Zn16 -","- C408 H420 N192 O24 Zn48 -","3","0.0625","","Brekalo, Ivana; Kane, Christopher M.; Ley, Amanda N.; Ramirez, Joseph R.; Friščić, Tomislav; Holman, K. Travis","Use of a ""Shoe-Last"" Solid-State Template in the Mechanochemical Synthesis of High-Porosity RHO-Zinc Imidazolate.","Journal of the American Chemical Society","2018","140","32","10104","10108","10.1021/jacs.8b05471","","","0.71073","MoKα","","0.1851","0.1227","","","0.4312","0.5047","","","","","","2.075","","","","has coordinates,has disorder","242605","2020-10-21","18:00:00",""
"4132679","7.4475","0.001","11.6494","0.0015","26.153","0.003","90","","90.314","0.007","90","","2269","0.5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 N -","- C28 H41 N -","- C112 H164 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0462","0.0401","","","0.1079","0.1135","","","","","","1.046","","","","has coordinates","242606","2020-10-21","18:00:00",""
"4132680","9.0915","0.001","19.517","0.0019","14.058","0.003","90","","103.301","0.007","90","","2427.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl N Pd -","- C26 H42 Cl N Pd -","- C104 H168 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0369","0.0269","","","0.0595","0.0637","","","","","","1.025","","","","has coordinates,has disorder","242607","2020-10-21","18:00:00",""
"4132681","11.9071","0.0006","13.5787","0.0006","15.2077","0.0007","90","","90.716","0.002","90","","2458.6","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Cl N Pd -","- C25 H40 Cl N Pd -","- C100 H160 Cl4 N4 Pd4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","1.54178","CuKα","","0.0335","0.0284","","","0.0718","0.0757","","","","","","1.058","","","","has coordinates,has disorder","242608","2020-10-21","18:00:00",""
"4132682","10.6312","0.0009","13.2056","0.001","17.7225","0.0015","90","","90","","90","","2488.1","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Au Cl N -","- C28 H41 Au Cl N -","- C112 H164 Au4 Cl4 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0201","0.019","","","0.0406","0.041","","","","","","0.77","","","","has coordinates","242609","2020-10-21","18:00:00",""
"4132683","9.9542","0.0003","15.6195","0.0004","17.9011","0.0006","90","","103.015","0.002","90","","2711.76","0.14","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 Cl N O2 Rh -","- C30 H41 Cl N O2 Rh -","- C120 H164 Cl4 N4 O8 Rh4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","","0.71073","MoKα","","0.0586","0.0438","","","0.1039","0.1115","","","","","","1.054","","","","has coordinates","242610","2020-10-21","18:00:00",""
"4132684","11.7666","0.0004","21.1781","0.0006","16.7826","0.0005","90","","93.451","0.001","90","","4174.5","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cl6 F3 N P2 Pt Sb -","- C40 H33 Cl6 F3 N P2 Pt Sb -","- C160 H132 Cl24 F12 N4 P8 Pt4 Sb4 -","4","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0381","0.025","","","0.0403","0.0428","","","","","","1.037","","","","has coordinates","288474","2023-12-21","14:34:49",""
"4132685","9.675","0.005","13.608","0.007","17.248","0.009","69.737","0.005","77.03","0.005","80.654","0.005","2067","1.9","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C44 H41 Cl2 F3 N P2 Pt Sb -","- C88 H82 Cl4 F6 N2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0484","0.036","","","0.0797","0.0857","","","","","","1.011","","","","has coordinates","288474","2023-12-21","14:34:54",""
"4132686","12.914","0.005","13.432","0.005","13.461","0.005","77.264","0.004","67.504","0.004","82.244","0.004","2100.9","1.4","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C79.01 H62 F9.03 N2 O11.03 P4 Pt2 S3.01 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","- C79.008 H63 F9.024 N2 O11.024 P4 Pt2 S3.008 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0414","0.0354","","","0.0797","0.0822","","","","","","1.098","","","","has coordinates,has disorder","288474","2023-12-21","14:35:06",""
"4132687","9.07","0.003","18.827","0.007","19.304","0.007","70.644","0.004","78.561","0.004","78.51","0.005","3016.4","1.9","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H41 B F18 N O P2 Pt Sb -","- C60 H41 B F18 N O P2 Pt Sb -","- C120 H82 B2 F36 N2 O2 P4 Pt2 Sb2 -","2","1","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.1106","0.0662","","","0.1743","0.2009","","","","","","1.015","","","","has coordinates","288475","2023-12-21","14:46:55",""
"4132688","8.936","0.002","19.412","0.005","20.369","0.005","115.125","0.003","102.188","0.003","92.038","0.003","3095.5","1.3","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","- C125.14 H84.28 B2 Cl6.28 F36 N2 P4 Pt2 Sb2 -","1","0.5","","You, Di; Yang, Haifeng; Sen, Srobona; Gabbaï, François P","Modulating the σ-Accepting Properties of an Antimony Z-type Ligand via Anion Abstraction: Remote-Controlled Reactivity of the Coordinated Platinum Atom.","Journal of the American Chemical Society","2018","140","30","9644","9651","10.1021/jacs.8b05520","","","0.71073","MoKα","","0.0458","0.0359","","","0.0866","0.0913","","","","","","1.043","","","","has coordinates,has disorder","242611","2020-10-21","18:00:00",""
"4132689","9.2522","0.0008","10.3247","0.0009","19.5321","0.0016","90","","90","","90","","1865.8","0.3","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Deng, Lin; Chen, Mengqing; Dong, Guangbin","Concise Synthesis of (-)-Cycloclavine and (-)-5- epi-Cycloclavine via Asymmetric C-C Activation.","Journal of the American Chemical Society","2018","140","30","9652","9658","10.1021/jacs.8b05549","","","0.71073","MoKα","","0.0689","0.0485","","","0.1097","0.1175","","","","","","1.041","","","","has coordinates","242612","2020-10-21","18:00:00",""
"4132690","29.948","0.006","29.987","0.006","29.283","0.006","90","","101.13","0.03","90","","25803","9","100","0.1","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C88 H56 Cl4 F12 N16 O13 Re4 S4 -","- C704 H448 Cl32 F96 N128 O104 Re32 S32 -","8","1","","Haviv, Eynat; Azaiza-Dabbah, Dima; Carmieli, Raanan; Avram, Liat; Martin, Jan M. L.; Neumann, Ronny","A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO<sub>2</sub> and a Proton Donor Promotes the Electrochemical Reduction of CO<sub>2</sub> to CO Catalyzed by a Rhenium Bipyridine-Type Complex.","Journal of the American Chemical Society","2018","140","39","12451","12456","10.1021/jacs.8b05658","","","0.71073","MoKα","","0.0423","0.0341","","","0.0888","0.0919","","","","","","1.083","","","","has coordinates","242613","2020-10-21","18:00:00",""
"4132691","12.941","0.0003","13.1806","0.0003","18.8817","0.0004","90","","90","","90","","3220.65","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O7 -","- C36 H42 O7 -","- C144 H168 O28 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0427","0.0391","","","0.0943","0.0971","","","","","","1.165","","","","has coordinates,has disorder","242614","2020-10-21","18:00:00",""
"4132692","8.1073","0.0003","12.6392","0.0005","13.2065","0.0006","74.9956","0.0016","81.3175","0.0016","71.4936","0.0014","1236.03","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H29 N O7 S -","- C26 H29 N O7 S -","- C52 H58 N2 O14 S2 -","2","2","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0479","0.0376","","","0.0824","0.0874","","","","","","1.038","","","","has coordinates,has disorder","242615","2020-10-21","18:00:00",""
"4132693","11.5175","0.0006","12.9029","0.0007","12.3215","0.0006","90","","112.935","0.0017","90","","1686.34","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H32 Cl2 F3 N O9 Pd S -","- C31 H32 Cl2 F3 N O9 Pd S -","- C62 H64 Cl4 F6 N2 O18 Pd2 S2 -","2","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","0.71073","MoKα","","0.0262","0.024","","","0.0498","0.0508","","","","","","1.091","","","","has coordinates","242616","2020-10-21","18:00:00",""
"4132694","7.2794","0.0002","7.976","0.0002","28.9295","0.0008","90","","90","","90","","1679.66","0.08","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0316","0.0293","","","0.0695","0.0709","","","","","","1.071","","","","has coordinates","242617","2020-10-21","18:00:00",""
"4132695","9.2426","0.0013","11.0042","0.0015","22.027","0.003","90","","90.723","0.009","90","","2240.1","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.113","0.0576","","","0.1397","0.1721","","","","","","1.012","","","","has coordinates","242618","2020-10-21","18:00:00",""
"4132696","11.1132","0.0005","16.9436","0.0008","12.0212","0.0006","90","","104.743","0.002","90","","2189.04","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.0736","0.0596","","","0.145","0.1549","","","","","","1.036","","","","has coordinates","242619","2020-10-21","18:00:00",""
"4132697","18.8921","0.0014","14.4381","0.0007","14.529","0.0011","90","","97.589","0.002","90","","3928.3","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 F3 -","- C24 H23 F3 -","- C192 H184 F24 -","8","1","","Gao, Pin; Chen, Liang-An; Brown, M. Kevin","Nickel-Catalyzed Stereoselective Diarylation of Alkenylarenes.","Journal of the American Chemical Society","2018","140","34","10653","10657","10.1021/jacs.8b05680","","","0.71073","MoKα","","0.1338","0.058","","","0.1237","0.1502","","","","","","1.019","","","","has coordinates,has disorder","242620","2020-10-21","18:00:00",""
"4132698","18.1594","0.0013","7.9412","0.0004","47.787","0.004","90","","90.245","0.006","90","","6891.2","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H66 Cl6 Co3 F18 N18 O6 -","- C48 H64 Cl6 Co3 F18 N18 O6 -","- C192 H256 Cl24 Co12 F72 N72 O24 -","4","0.5","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","1.54184","CuKα","","0.1163","0.071","","","0.1717","0.2056","","","","","","1.123","","","","has coordinates","242621","2020-10-21","18:00:00",""
"4132699","16.7381","0.0017","13.3744","0.0013","14.2241","0.0014","90","","94.3","0.003","90","","3175.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Co F9 N8 O4 -","- C26 H38 Co F9 N8 O4 -","- C104 H152 Co4 F36 N32 O16 -","4","1","","Yu, Meng; Bouley, Bailey S.; Xie, Da; Enriquez, José S; Que, Emily L.","<sup>19</sup>F PARASHIFT Probes for Magnetic Resonance Detection of H<sub>2</sub>O<sub>2</sub> and Peroxidase Activity.","Journal of the American Chemical Society","2018","140","33","10546","10552","10.1021/jacs.8b05685","","","0.71073","MoKα","","0.063","0.0491","","","0.1109","0.1174","","","","","","1.122","","","","has coordinates","242622","2020-10-21","18:00:00",""
"4132700","7.5582","0.0002","14.1096","0.0005","9.6456","0.0003","90","","107.998","0.003","90","","978.3","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 I N O3 S -","- C19 H20 I N O3 S -","- C38 H40 I2 N2 O6 S2 -","2","1","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","","1.54178","CuKα","","0.0393","0.039","","","0.1022","0.1028","","","","","","1.038","","","","has coordinates","242624","2020-10-21","18:00:00",""
"4132701","9.6006","0.0005","20.3822","0.001","24.3422","0.0013","90","","99.723","0.005","90","","4694.9","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F3 I O5 S -","- C22 H24 F3 I O5 S -","- C176 H192 F24 I8 O40 S8 -","8","2","","Li, Bin; Chao, Zengyin; Li, Chunyu; Gu, Zhenhua","Cu-Catalyzed Enantioselective Ring Opening of Cyclic Diaryliodoniums toward the Synthesis of Chiral Diarylmethanes.","Journal of the American Chemical Society","2018","140","30","9400","9403","10.1021/jacs.8b05743","","x-ray","0.71073","MoKα","","0.1328","0.0893","","","0.2442","0.242","","","","","","1.007","","","","has coordinates,has disorder","242625","2020-10-21","18:00:00",""
"4132702","25.195","0.005","9.488","0.0019","19.143","0.004","90","","123.74","0.03","90","","3805.4","1.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H49 Na O8 Si2 -","- C40 H49 Na O8 Si2 -","- C160 H196 Na4 O32 Si8 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.7","synchrotron","","0.1112","0.0862","","","0.2409","0.2798","","","","","","1.046","","","","has coordinates,has disorder","242626","2020-10-21","18:00:00",""
"4132703","10.7627","0.0006","12.6174","0.0007","9.1065","0.0004","90","","101.936","0.002","90","","1209.9","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl F2 O -","- C15 H9 Cl F2 O -","- C60 H36 Cl4 F8 O4 -","4","1","","Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok","Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.","Journal of the American Chemical Society","2018","140","30","9659","9668","10.1021/jacs.8b05744","","","0.71073","MoKα","","0.0466","0.0389","","","0.1101","0.116","","","","","","1.072","","","","has coordinates","242627","2020-10-21","18:00:00",""
"4132704","37.029","0.0006","11.0822","0.0003","12.0393","0.0002","90","","90","","90","","4940.48","0.18","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C212 H256 O48 S8 -","4","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0707","0.0517","","","0.1207","0.1324","","","","","","1.018","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132705","12.5757","0.0002","18.6738","0.0002","41.8847","0.0006","90","","90","","90","","9836","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0713","0.0485","","","0.1139","0.1291","","","","","","1.05","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132706","12.5633","0.0002","18.6928","0.0003","41.9876","0.0007","90","","90","","90","","9860.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1154","0.0552","","","0.1135","0.1306","","","","","","1.002","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132707","15.9151","0.0009","9.0545","0.0005","22.8476","0.0013","90","","91.173","0.003","90","","3291.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H64 Cl2 Hg O20 S2 -","- C53 H64 Cl2 Hg O20 S2 -","- C106 H128 Cl4 Hg2 O40 S4 -","2","1","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0585","0.0502","","","0.1305","0.1351","","","","","","1.035","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132708","47.5683","0.0008","14.9566","0.0002","12.0028","0.0002","90","","94.586","0.001","90","","8512.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C159 H190 Hg4 I8 O36 S6 -","- C159 H190 Hg4 I8 O36 S6 -","- C318 H380 Hg8 I16 O72 S12 -","2","0.5","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1243","0.0757","","","0.1835","0.2155","","","","","","1.049","","","","has coordinates,has disorder","242628","2020-10-21","18:00:00",""
"4132709","6.3698","0.0005","13.228","0.0012","34.571","0.002","90","","90","","90","","2912.9","0.4","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0806","0.057","","","0.0933","0.1045","","","","","","1.034","","","","has coordinates","242629","2020-10-21","18:00:00",""
"4132710","11.1414","0.0003","12.4672","0.0004","21.0621","0.0005","90","","90","","90","","2925.57","0.14","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.0862","0.093","","","","","","1.052","","","","has coordinates","242630","2020-10-21","18:00:00",""
"4132711","7.7029","0.0004","14.6019","0.0006","21.1006","0.0009","90","","90","","90","","2373.33","0.19","120","10","120","10","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0825","0.0896","","","","","","1.037","","","","has coordinates","242631","2020-10-21","18:00:00",""
"4132712","6.1268","0.0002","13.2115","0.0005","14.7663","0.0005","90","","101.86","0.004","90","","1169.73","0.07","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C52 H70 N2 O6 -","2","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.04","0.0355","","","0.0867","0.0908","","","","","","1.048","","","","has coordinates","242632","2020-10-21","18:00:00",""
"4132713","7.9565","0.0011","15.697","0.002","24.285","0.003","90","","90","","90","","3033","0.7","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Me2fBPDC","","- C16 H6 F8 O4 -","- C16 H6 F8 O4 -","- C128 H48 F64 O32 -","8","1","","Ji, Pengfei; Drake, Tasha; Murakami, Akiko; Oliveres, Pau; Skone, Jonathan H.; Lin, Wenbin","Tuning Lewis Acidity of Metal-Organic Frameworks via Perfluorination of Bridging Ligands: Spectroscopic, Theoretical, and Catalytic Studies.","Journal of the American Chemical Society","2018","140","33","10553","10561","10.1021/jacs.8b05765","","","0.41328","synchrotron","","0.0436","0.0366","","","0.0943","0.1003","","","","","","1.049","","","","has coordinates","242633","2020-10-21","18:00:00",""
"4132714","21.4077","0.0011","21.9786","0.0011","22.0259","0.0012","115.221","0.001","116.928","0.001","90.438","0.001","8096.3","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","- C210 H178 Cr12 N26 O68 -","1","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.0959","0.0641","","","0.1856","0.2112","","","","","","1.057","","","","has coordinates","242635","2020-10-21","18:00:00",""
"4132715","40.52","0.002","40.52","0.002","40.52","0.002","90","","90","","90","","66529","6","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole PCN-81","- C17 H8 Cu N O4 -","- C17 H8 Cu N O4 -","- C816 H384 Cu48 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","","","","","","","","","","","","","","","","","","","has coordinates","287155","2023-10-27","23:54:11",""
"4132716","40.53","0.004","40.53","0.004","40.53","0.004","90","","90","","90","","66578","11","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 3.71(3) CD4","- C20.25 H8 Cu D13 N O4 -","- C20.2483 H8 Cu D12.9963 N O4 -","- C971.92 H384 Cu48 D623.824 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","2.8022","","","","","","","has coordinates","242637","2020-10-21","18:00:00",""
"4132717","23.345","0.002","27.435","0.003","23.959","0.002","90","","99","0.003","90","","15156","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C204 H176 Cu12 N24 O66 -","- C204 H176 Cu12 N24 O66 -","- C408 H352 Cu24 N48 O132 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","0.71073","MoKα","","0.1002","0.0624","","","0.1744","0.1963","","","","","","1.021","","","","has coordinates","242638","2020-10-21","18:00:00",""
"4132718","24.1875","0.0005","28.6009","0.0007","24.5462","0.0005","90","","97.121","0.001","90","","16849.7","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H84 Mo12 N12 O68 -","- C168 H84 Mo12 N12 O68 -","- C336 H168 Mo24 N24 O136 -","2","0.5","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","1.54178","CuKα","","0.1334","0.0863","","","0.2286","0.2929","","","","","","1.038","","","","has coordinates","242639","2020-10-21","18:00:00",""
"4132719","40.519","0.002","40.519","0.002","40.519","0.002","90","","90","","90","","66524","6","7.06","0.05","7.06","0.05","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","Cu-carbazole/PCN-81 w/ 1.95(15) CD4","- C18.89 H8 Cu D7.56 N O4 -","- C18.8915 H8 Cu D7.5585 N O4 -","- C906.792 H384 Cu48 D362.808 N48 O192 -","48","2","","Rowland, Casey A.; Lorzing, Gregory R.; Gosselin, Eric J.; Trump, Benjamin A.; Yap, Glenn P. A.; Brown, Craig M.; Bloch, Eric D.","Methane Storage in Paddlewheel-Based Porous Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11153","11157","10.1021/jacs.8b05780","","","2.0775","neutron","","","","","","","","","","1.3026","","","","","","","has coordinates","242640","2020-10-21","18:00:00",""
"4132720","7.6488","0.0001","14.2419","0.0001","28.2187","0.0002","90","","90","","90","","3073.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","2","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","","1.54184","CuKα","","0.0305","0.0296","","","0.0754","0.076","","","","","","1.076","","","","has coordinates","242641","2020-10-21","18:00:00",""
"4132721","8.3269","0.0001","7.6893","0.0001","13.8728","0.0001","90","","100.63","0.001","90","","873.005","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C46 H48 O4 -","2","1","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","x-ray","1.54184","CuKα","","0.0347","0.0344","","","0.0895","0.0897","","","","","","1.081","","","","has coordinates","242642","2020-10-21","18:00:00",""
"4132722","8.10217","0.00006","12.10152","0.0001","17.38923","0.00014","90","","90","","90","","1704.99","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.023","0.0227","","","0.0568","0.057","","","","","","1.04","","","","has coordinates","242643","2020-10-21","18:00:00",""
"4132723","9.9574","0.0007","8.8817","0.0007","10.7882","0.0009","90","","90.883","0.007","90","","953.98","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H22 F N O3 -","- C25 H22 F N O3 -","- C50 H44 F2 N2 O6 -","2","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","0.71073","MoKα","","0.0351","0.0331","","","0.0848","0.0859","","","","","","1.045","","","","has coordinates","242644","2020-10-21","18:00:00",""
"4132724","6.05736","0.00004","8.48378","0.00006","34.6061","0.0003","90","","90","","90","","1778.38","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 F N O6 -","- C17 H24 F N O6 -","- C68 H96 F4 N4 O24 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0221","0.022","","","0.0535","0.0535","","","","","","1.067","","","","has coordinates","242645","2020-10-21","18:00:00",""
"4132725","8.61245","0.00005","10.21862","0.00006","18.99958","0.00012","90","","90","","90","","1672.1","0.017","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0237","0.0237","","","0.0573","0.0573","","","","","","1.059","","","","has coordinates","242646","2020-10-21","18:00:00",""
"4132726","8.2353","0.0003","13.2333","0.0005","15.1468","0.0005","90","","90","","90","","1650.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0294","0.0291","","","0.0977","0.0983","","","","","","0.945","","","","has coordinates","242647","2020-10-21","18:00:00",""
"4132727","9.3299","0.0004","11.8388","0.0005","20.3171","0.0009","90","","90","","90","","2244.12","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","1","0.25","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0353","0.0351","","","0.1082","0.1086","","","","","","0.867","","","","has coordinates","242648","2020-10-21","18:00:00",""
"4132728","11.48","0.0007","12.905","0.0008","28.8426","0.0017","90","","90","","90","","4273","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N O0.5 -","- C26 H23 Cl N O0.5 -","- C208 H184 Cl8 N8 O4 -","8","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54175","CuKα","","0.0393","0.039","","","0.1223","0.1229","","","","","","1.117","","","","has coordinates","242649","2020-10-21","18:00:00",""
"4132729","12.7654","0.0011","15.5021","0.0014","15.5871","0.0012","69.715","0.003","81.105","0.003","80.949","0.003","2840.5","0.4","273","2","273","2","","","","","","","","8","P 1","P 1","1","","","","- C65 H49 F0 N O0.5 P2 Pd S0 -","- C65 H49 N O0.5 P2 Pd -","- C130 H98 N2 O P4 Pd2 -","2","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","0.56086","AgKα","","0.0499","0.0396","","","0.1069","0.1149","","","","","","0.811","","","","has coordinates","242650","2020-10-21","18:00:00",""
"4132730","8.773","0.003","11.504","0.003","16.681","0.005","93.575","0.01","98.963","0.009","103.528","0.01","1608.2","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H46 Mo O2 P2 -","- C37 H46 Mo O2 P2 -","- C74 H92 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.1364","0.0719","","","0.1592","0.1853","","","","","","1.044","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132731","23.5019","0.0011","9.3504","0.0005","20.5286","0.0009","90","","90","","90","","4511.2","0.4","100","","100","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C48 H40 B F15 Mo N2 P2 -","- C48 H40 B F15 Mo N2 P2 -","- C192 H160 B4 F60 Mo4 N8 P8 -","4","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.057","0.0371","","","0.0668","0.0726","","","","","","1.008","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132732","9.4051","0.0004","11.3058","0.0005","22.0674","0.001","103.065","0.002","94.669","0.002","96.976","0.002","2254.39","0.17","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H40 B F15 Mo O2 P2 -","- C49 H40 B F15 Mo O2 P2 -","- C98 H80 B2 F30 Mo2 O4 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0334","0.0268","","","0.0647","0.0678","","","","","","0.988","","","","has coordinates","242651","2020-10-21","18:00:00",""
"4132733","13.0216","0.0007","16.2787","0.0008","18.3832","0.0009","111.964","0.002","100.228","0.003","92.383","0.003","3531.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H64 B F24 Mo O P2 -","- C75 H64 B F24 Mo O P2 -","- C150 H128 B2 F48 Mo2 O2 P4 -","2","1","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0473","0.043","","","0.0977","0.0996","","","","","","1.242","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132734","13.0558","0.0008","16.4548","0.001","16.505","0.001","65.959","0.002","81.517","0.002","78.563","0.002","3165.1","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","- C130 H109 B2 Cl F48 Mo2 N2 P4 -","1","0.5","","Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor","Lewis Acid Enhancement of Proton Induced CO<sub>2</sub> Cleavage: Bond Weakening and Ligand Residence Time Effects.","Journal of the American Chemical Society","2018","140","32","10121","10125","10.1021/jacs.8b05874","","","0.71073","MoKα","","0.0924","0.0557","","","0.1344","0.154","","","","","","1.03","","","","has coordinates,has disorder","242651","2020-10-21","18:00:00",""
"4132735","9.9036","0.0002","9.5634","0.0002","15.2192","0.0004","90","","93.961","0.002","90","","1438","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","0.71073","MoKα","","0.0628","0.0444","","","0.1001","0.1117","","","","","","1.034","","","","has coordinates","242652","2020-10-21","18:00:00",""
"4132736","5.53828","0.00006","24.4737","0.0004","8.98955","0.00014","90","","91.211","0.0012","90","","1218.19","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","2","","Lee, Hanbin; Mane, Manoj V.; Ryu, Ho; Sahu, Debashis; Baik, Mu-Hyun; Yi, Chae S.","Experimental and Computational Study of the ( Z)-Selective Formation of Trisubstituted Olefins and Benzo-Fused Oxacycles from the Ruthenium-Catalyzed Dehydrative C-H Coupling of Phenols with Ketones.","Journal of the American Chemical Society","2018","140","32","10289","10296","10.1021/jacs.8b05875","","x-ray","1.54184","CuKα","","0.0399","0.0372","","","0.0971","0.101","","","","","","1.034","","","","has coordinates","242653","2020-10-21","18:00:00",""
"4132737","18.5044","0.0008","18.5044","0.0008","18.5044","0.0008","90","","90","","90","","6336.1","0.5","173","2","173","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C17 H36 Cl9 N Si3 -","- C16.9998 H35.9991 Cl9 N Si3 -","- C135.998 H287.993 Cl72 N8 Si24 -","8","0.333333","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0517","0.0399","","","0.0844","0.0884","","","","","","0.975","","","","has coordinates","265218","2021-05-14","09:41:20",""
"4132738","11.4327","0.0006","11.8063","0.0006","19.5139","0.0009","85.921","0.004","85.777","0.004","88.686","0.004","2619.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 Cl12 N2 Si4 -","- C34 H72 Cl12 N2 Si4 -","- C68 H144 Cl24 N4 Si8 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.073","0.0585","","","0.1414","0.1476","","","","","","1.117","","","","has coordinates,has disorder","265218","2021-05-14","09:41:20",""
"4132739","16.5007","0.0011","12.171","0.0007","18.2951","0.0012","90","","90","","90","","3674.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 Cl12 Si4 -","- C2 Cl12 Si4 -","- C16 Cl96 Si32 -","8","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.043","0.0353","","","0.0889","0.093","","","","","","1.017","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132740","9.1268","0.0008","9.5234","0.0009","10.1718","0.0009","77.516","0.007","87.755","0.007","62.147","0.007","761.25","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Cl6 Si2 -","- C8 H8 Cl6 Si2 -","- C16 H16 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0374","0.0276","","","0.0651","0.0681","","","","","","1.032","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132741","11.5499","0.0006","12.4908","0.0007","12.5898","0.0007","65.826","0.004","79.473","0.004","65.638","0.004","1509.27","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 Cl6 Si2 -","- C30 H20 Cl6 Si2 -","- C60 H40 Cl12 Si4 -","2","1","","Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process.","Journal of the American Chemical Society","2018","140","30","9696","9708","10.1021/jacs.8b05950","","","0.71073","MoKα","","0.0486","0.035","","","0.0806","0.0852","","","","","","1.018","","","","has coordinates","242654","2020-10-21","18:00:00",""
"4132742","12.871","0.0006","27.8262","0.0013","13.7151","0.0006","90","","108.04","0.002","90","","4670.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 F12 N4 O6 P3 Ru S -","- C43 H45 F12 N4 O6 P3 Ru S -","- C172 H180 F48 N16 O24 P12 Ru4 S4 -","4","1","","Kosgei, Gilbert K.; Breen, Douglas J.; Lamb, Robert W.; Livshits, Maksim Y.; Crandall, Laura A.; Ziegler, Christopher J.; Webster, Charles Edwin; Rack, Jeffrey J.","Controlling Photoisomerization Reactivity Through Single Functional Group Substitutions in Ruthenium Phosphine Sulfoxide Complexes.","Journal of the American Chemical Society","2018","140","31","9819","9822","10.1021/jacs.8b05957","","","0.71073","MoKα","","0.0897","0.0766","","","0.1938","0.1989","","","","","","1.192","","","","has coordinates,has disorder","242655","2020-10-21","18:00:00",""
"4132743","26.5441","0.0018","26.5441","0.0018","22.7499","0.0017","90","","90","","90","","16029.3","1.9","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C62 H68 I O5 P -","- C62 H68 I O5 P -","- C496 H544 I8 O40 P8 -","8","1","","Ye, Baihua; Zhao, Jie; Zhao, Ke; McKenna, Jeffrey M.; Toste, F. Dean","Chiral Diaryliodonium Phosphate Enables Light Driven Diastereoselective α-C(sp<sup>3</sup>)-H Acetalization.","Journal of the American Chemical Society","2018","140","26","8350","8356","10.1021/jacs.8b05962","","x-ray","0.71073","MoKα","","0.1048","0.0935","","","0.2621","0.277","","","","","","1.127","","","","has coordinates","242656","2020-10-21","18:00:00",""
"4132744","7.63","0.001","11.4442","0.0015","12.1777","0.0016","66.08","0.002","82.174","0.003","78.089","0.003","949.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Fe2 N O6 S2 -","- C16 H13 Fe2 N O6 S2 -","- C32 H26 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0325","0.0269","","","0.0652","0.0679","","","","","","1.065","","","","has coordinates","242657","2020-10-21","18:00:00",""
"4132745","12.0292","0.0008","11.9367","0.0007","16.3521","0.001","90","","111.147","0.002","90","","2189.9","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe2 N O8 S2 -","- C18 H15 Fe2 N O8 S2 -","- C72 H60 Fe8 N4 O32 S8 -","4","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0753","0.0507","","","0.1138","0.1308","","","","","","0.986","","","","has coordinates","242658","2020-10-21","18:00:00",""
"4132746","7.5764","0.0016","10.35","0.002","12.755","0.003","93.763","0.005","104.601","0.005","107.684","0.005","911.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Fe2 N O6 S2 -","- C15 H11 Fe2 N O6 S2 -","- C30 H22 Fe4 N2 O12 S4 -","2","1","","Ahmed, Md Estak; Dey, Subal; Darensbourg, Marcetta Y.; Dey, Abhishek","Oxygen-Tolerant H<sub>2</sub> Production by [FeFe]-H<sub>2</sub>ase Active Site Mimics Aided by Second Sphere Proton Shuttle.","Journal of the American Chemical Society","2018","140","39","12457","12468","10.1021/jacs.8b05983","","","0.71073","MoKα","","0.0515","0.0331","","","0.0877","0.0975","","","","","","0.998","","","","has coordinates","242659","2020-10-21","18:00:00",""
"4132747","39.341","0.003","39.341","0.003","16.4692","0.0016","90","","90","","120","","22075","3","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C108 H52 F24 O32 Zr6 -","- C108 H52 F24 O32 Zr6 -","- C324 H156 F72 O96 Zr18 -","3","0.125","","Liu, Jian; Ye, Jingyun; Li, Zhanyong; Otake, Ken-Ichi; Liao, Yijun; Peters, Aaron W.; Noh, Hyunho; Truhlar, Donald G.; Gagliardi, Laura; Cramer, Christopher J.; Farha, Omar K.; Hupp, Joseph T.","Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization.","Journal of the American Chemical Society","2018","140","36","11174","11178","10.1021/jacs.8b06006","","","0.71073","MoKα","","0.1141","0.0689","","","0.2018","0.225","","","","","","0.946","","","","has coordinates","242660","2020-10-21","18:00:00",""
"4132748","8.8222","0.0002","22.4497","0.0005","12.2995","0.0003","90","","90.664","0.002","90","","2435.82","0.1","100.01","0.13","100.01","0.13","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 I N O3 -","- C25 H30 I N O3 -","- C100 H120 I4 N4 O12 -","4","2","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1203","0.1209","","","","","","1.128","","","","has coordinates","242661","2020-10-21","18:00:00",""
"4132749","9.2512","0.0019","9.908","0.002","13.364","0.003","90","","93.83","0.03","90","","1222.2","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H32 Br N3 O3 -","- C26 H32 Br N3 O3 -","- C52 H64 Br2 N6 O6 -","2","1","","Li, Shou-Lei; Yang, Chen; Wu, Quan; Zheng, Han-Liang; Li, Xin; Cheng, Jin-Pei","Atroposelective Catalytic Asymmetric Allylic Alkylation Reaction for Axially Chiral Anilides with Achiral Morita-Baylis-Hillman Carbonates.","Journal of the American Chemical Society","2018","140","40","12836","12843","10.1021/jacs.8b06014","","","0.71073","MoKα","","0.0489","0.0284","","","0.0551","0.0582","","","","","","0.959","","","","has coordinates","242662","2020-10-21","18:00:00",""
"4132750","9.0037","0.0006","10.6349","0.0008","20.9238","0.0016","87.427","0.003","80.838","0.004","83.926","0.003","1966.1","0.2","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1129","0.0623","","","0.1025","0.1234","","","","","","1.109","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132751","9.1236","0.0013","10.3986","0.0017","21.917","0.003","82.664","0.006","79.143","0.008","81.735","0.007","2010","0.5","25","2","25","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.1816","0.0851","","","0.157","0.1965","","","","","","1.084","","","","has coordinates","242663","2020-10-21","18:00:00",""
"4132752","9.2022","0.0007","10.1887","0.0007","21.8917","0.0018","91.39","0.006","101.321","0.007","98.577","0.006","1987.1","0.3","90","2","90","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","x-ray","0.7121","","","0.0651","0.0368","","","0.0862","0.0991","","","","","","1.002","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132753","9.2011","0.0007","10.1991","0.0009","21.9496","0.0008","91.624","0.005","101.414","0.005","98.816","0.007","1991.6","0.2","10","2","10","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.0697","0.054","","","0.1171","0.1304","","","","","","0.985","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132754","9.2642","0.0004","10.2705","0.0005","22.0624","0.0011","91.906","0.004","101.684","0.004","98.679","0.004","2027.74","0.17","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71069","MoKα","","0.0785","0.0546","","","0.1329","0.1516","","","","","","1.037","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132755","9.2763","0.0006","10.2063","0.0005","22.0345","0.0013","91.425","0.005","101.334","0.005","98.996","0.005","2017","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 F12 Fe N10 P2 -","- C30 H48 F12 Fe N10 P2 -","- C60 H96 F24 Fe2 N20 P4 -","2","1","","Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Hauser, Andreas; Valverde-Muñoz, Francisco Javier; Seredyuk, Maksym; Real, José Antonio; Pillet, Sébastien; Bendeif, El-Eulmi; Besnard, Céline","Very Long-Lived Photogenerated High-Spin Phase of a Multistable Spin-Crossover Molecular Material.","Journal of the American Chemical Society","2018","140","40","12870","12876","10.1021/jacs.8b06042","","","0.71073","MoKα","","0.2072","0.0949","","","0.2099","0.2651","","","","","","1.04","","","","has coordinates,has disorder","242663","2020-10-21","18:00:00",""
"4132756","24.6998","0.006","8.2115","0.0023","7.0889","0.0017","90","","90.237","0.041","90","","1437.8","0.6","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(bdp)(CO2)0.37","","","- C12.74 H8 Co N4 O1.48 -","- C12.74 H8 Co N4 O1.48 -","- C50.96 H32 Co4 N16 O5.92 -","4","0.5","","Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Bachman, Jonathan E.; Siegelman, Rebecca L.; Jiang, Henry; Mason, Jarad A.; Tarver, Jacob D.; Long, Jeffrey R.","Near-Perfect CO<sub>2</sub>/CH<sub>4</sub> Selectivity Achieved through Reversible Guest Templating in the Flexible Metal-Organic Framework Co(bdp).","Journal of the American Chemical Society","2018","140","32","10324","10331","10.1021/jacs.8b06062","powder diffraction","x-ray","0.45336","synchrotron","","","","","","","","","0.021","4.01","","","","","","","has coordinates","242664","2020-10-21","18:00:00",""
"4132757","21.3574","0.0004","13.0173","0.0002","23.82","0.0005","90","","93.95","0.007","90","","6606.6","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H96 N8 -","- C74 H96 N8 -","- C296 H384 N32 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.114","0.081","","","0.2102","0.2302","","","","","","1.015","","","","has coordinates,has disorder","242665","2020-10-21","18:00:00",""
"4132758","15.6996","0.0014","18.0988","0.0015","22.34","0.002","94.624","0.007","93.167","0.007","97.221","0.007","6263.2","1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C74 H80 N8 -","- C74 H80 N8 -","- C296 H320 N32 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.1407","0.0765","","","0.1758","0.2115","","","","","","0.932","","","","has coordinates,has disorder","242666","2020-10-21","18:00:00",""
"4132759","18.9374","0.0003","19.0517","0.0004","20.3855","0.0004","90","","106.369","0.008","90","","7056.8","0.4","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C78 H88.34 F12 N8 O2.17 P2 -","- C78 H88.344 F12 N8 O2.172 P2 -","- C312 H353.376 F48 N32 O8.688 P8 -","4","2","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Shiotari, Akitoshi; Sugimoto, Yoshiaki; Ohara, Keishi; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, Structures, and Properties of Core-Expanded Azacoronene Analogue: A Twisted π-System with Two N-Doped Heptagons.","Journal of the American Chemical Society","2018","140","33","10430","10434","10.1021/jacs.8b06079","","","1.54187","CuKα","","0.0454","0.0399","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","242667","2020-10-21","18:00:00",""
"4132760","12.4461","0.0004","15.3301","0.0005","11.6893","0.0003","90","","90","","90","","2230.32","0.12","100","","100","1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H62 I N2 P2 U -","- C44 H62 I N2 P2 U -","- C88 H124 I2 N4 P4 U2 -","2","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.045","0.0299","","","0.0656","0.0707","","","","","","1.005","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132761","24.5125","0.0008","13.2349","0.0004","14.3958","0.0004","90","","115.555","0.002","90","","4213.4","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 Cl2 N2 P2 U -","- C44 H62 Cl2 N2 P2 U -","- C176 H248 Cl8 N8 P8 U4 -","4","0.5","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.02","0.0182","","","0.0456","0.0467","","","","","","1.085","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132762","10.9802","0.0005","11.5895","0.0005","21.4568","0.0009","87.954","0.002","87.283","0.002","65.953","0.002","2490.31","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H62 N8 P2 U -","- C44 H62 N8 P2 U -","- C88 H124 N16 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0337","0.0307","","","0.085","0.087","","","","","","1.109","","","","has coordinates,has disorder","242668","2020-10-21","18:00:00",""
"4132763","12.7487","0.0005","13.6035","0.0006","17.6124","0.0007","102.07","0.002","91.734","0.002","98.501","0.002","2948.2","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H93 K N3 O3 P2 U -","- C59 H93 K N3 O3 P2 U -","- C118 H186 K2 N6 O6 P4 U2 -","2","1","","Mullane, Kimberly C.; Ryu, Ho; Cheisson, Thibault; Grant, Lauren N.; Park, Ji Young; Manor, Brian C.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.; Schelter, Eric J.","C-H Bond Addition across a Transient Uranium-Nitrido Moiety and Formation of a Parent Uranium Imido Complex.","Journal of the American Chemical Society","2018","140","36","11335","11340","10.1021/jacs.8b06090","","","0.71073","MoKα","","0.0297","0.0263","","","0.0658","0.0683","","","","","","1.091","","","","has coordinates","242668","2020-10-21","18:00:00",""
"4132764","9.4486","0.0003","14.759","0.0003","22.6127","0.0009","88.9","0.002","89.95","0.003","86.561","0.002","3147.12","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H47 B3 F2 K N3 O6 -","- C25 H47 B3 F2 K N3 O6 -","- C100 H188 B12 F8 K4 N12 O24 -","4","2","","Geri, Jacob B.; Wade Wolfe, Michael M.; Szymczak, Nathaniel K.","The Difluoromethyl Group as a Masked Nucleophile: A Lewis Acid/Base Approach.","Journal of the American Chemical Society","2018","140","30","9404","9408","10.1021/jacs.8b06093","","x-ray","1.54184","CuKα","","0.1165","0.1049","","","0.2898","0.3063","","","","","","1.041","","","","has coordinates,has disorder","242669","2020-10-21","18:00:00",""
"4132765","11.6737","0.0002","8.25353","0.0001","30.0031","0.0004","90","","93.5614","0.0014","90","","2885.19","0.07","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H35 F6 Fe N8 O7 S2 -","- C17 H35 F6 Fe N8 O7 S2 -","- C68 H140 F24 Fe4 N32 O28 S8 -","4","1","","Speelman, Amy L.; White, Corey J.; Zhang, Bo; Alp, E. Ercan; Zhao, Jiyong; Hu, Michael; Krebs, Carsten; Penner-Hahn, James; Lehnert, Nicolai","Non-heme High-Spin {FeNO}<sup>6-8</sup> Complexes: One Ligand Platform Can Do It All.","Journal of the American Chemical Society","2018","140","36","11341","11359","10.1021/jacs.8b06095","","","1.54184","CuKα","","0.0426","0.0401","","","0.105","0.1129","","","","","","1.071","","","","has coordinates","242670","2020-10-21","18:00:00",""
"4132766","9.1975","0.0005","10.2549","0.0006","10.7336","0.0006","86.647","0.002","87.81","0.002","65.188","0.002","917.26","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H15 Co F3 N3 O3 S -","- C17 H15 Co F3 N3 O3 S -","- C34 H30 Co2 F6 N6 O6 S2 -","2","1","","McLoughlin, Elizabeth A.; Waldie, Kate M.; Ramakrishnan, Srinivasan; Waymouth, Robert M.","Protonation of a Cobalt Phenylazopyridine Complex at the Ligand Yields a Proton, Hydride, and Hydrogen Atom Transfer Reagent.","Journal of the American Chemical Society","2018","140","41","13233","13241","10.1021/jacs.8b06156","","x-ray","0.71073","MoKα","","0.0375","0.0303","","","0.0659","0.069","","","","","","1.108","","","","has coordinates","242671","2020-10-21","18:00:00",""
"4132767","18.4626","0.0007","19.0335","0.0008","19.1173","0.0008","90","","100.614","0.002","90","","6603","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H44 Cl5.5 D1.5 N7 O7 -","- C62.5 H41.5 Cl5.5 N7 O7 -","- C250 H166 Cl22 N28 O28 -","4","1","","Zhiquan, Lei; Xie, Han; Border, Sarah E.; Gallucci, Judith; Pavlović, Radoslav Z; Badjić, Jovica D","A Stimuli-Responsive Molecular Capsule with Switchable Dynamics, Chirality, and Encapsulation Characteristics.","Journal of the American Chemical Society","2018","140","35","11091","11100","10.1021/jacs.8b06190","","x-ray","0.71073","MoKα","","0.1111","0.1029","","","0.2881","0.2958","","","","","","1.095","","","","has coordinates","242672","2020-10-21","18:00:00",""
"4132768","17.222","0.0006","9.8655","0.0004","20.9582","0.0008","90","","90","","90","","3560.9","0.2","183","2","183","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H20 Br2 O3 -","- C20 H20 Br2 O3 -","- C160 H160 Br16 O24 -","8","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0376","0.0324","","","0.0784","0.0813","","","","","","1.051","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132769","9.9024","0.0004","17.7073","0.0008","8.9301","0.0003","90","","100.908","0.001","90","","1537.56","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 O -","- C20 H24 O -","- C80 H96 O4 -","4","1","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0547","0.0449","","","0.1109","0.1174","","","","","","1.028","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132770","27.498","0.006","7.6508","0.0018","15.583","0.004","90","","90.715","0.006","90","","3278.1","1.3","183","2","183","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C160 H176 O24 -","8","4","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.1484","0.1179","","","0.3162","0.3419","","","","","","1.314","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132771","10.2423","0.0009","11.5267","0.0011","14.1776","0.0014","88.506","0.003","80.899","0.003","76.244","0.003","1605.2","0.3","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","2","","Schmid, Matthias; Grossmann, Adriana S.; Wurst, Klaus; Magauer, Thomas","Total Synthesis of Salimabromide: A Tetracyclic Polyketide from a Marine Myxobacterium.","Journal of the American Chemical Society","2018","140","27","8444","8447","10.1021/jacs.8b06228","","","0.71073","MoKα","","0.0498","0.0395","","","0.0993","0.1054","","","","","","1.031","","","","has coordinates","242673","2020-10-21","18:00:00",""
"4132772","10.7291","0.0007","10.9423","0.0007","21.1536","0.0014","90.135","0.001","104.209","0.001","93.207","0.001","2403.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(Cl2)Si{P(cAAC)}2","dichlorosilabisphosphinidene","","- C47 H70 Cl2 N2 P2 Si -","- C47 H70 Cl2 N2 P2 Si -","- C94 H140 Cl4 N4 P4 Si2 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0333","0.0298","","","0.0754","0.0781","","","","","","1.032","","","","has coordinates","242674","2020-10-21","18:00:00",""
"4132773","13.3897","0.0006","16.8613","0.0007","28.705","0.0012","97.348","0.002","101.539","0.002","105.097","0.002","6018.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(cAAC)Si{P(cAAC)}2","bisphosphinidenesilylene","","- C126 H200 N6 P4 Si2 -","- C126 H200 N6 P4 Si2 -","- C252 H400 N12 P8 Si4 -","2","1","","Kundu, Subrata; Sinhababu, Soumen; Siddiqui, Mujahuddin M.; Luebben, Anna V.; Dittrich, Birger; Yang, Tao; Frenking, Gernot; Roesky, Herbert W.","Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene.","Journal of the American Chemical Society","2018","140","30","9409","9412","10.1021/jacs.8b06230","","","0.71073","MoKα","","0.0684","0.0463","","","0.1075","0.1195","","","","","","1.026","","","","has coordinates,has disorder","242675","2020-10-21","18:00:00",""
"4132774","16.3099","0.0005","15.3787","0.0004","14.4277","0.0004","90","","93.304","0.003","90","","3612.81","0.18","110","2","110","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H34 Mo2 N6 O10 -","- C32 H34 Mo2 N6 O10 -","- C128 H136 Mo8 N24 O40 -","4","1","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","0.71073","MoKα","","0.0652","0.0403","","","0.0854","0.0961","","","","","","1.033","","","","has coordinates,has disorder","242676","2020-10-21","18:00:00",""
"4132775","16.38752","0.00019","15.60553","0.00019","14.32079","0.00016","90","","91.8","0.001","90","","3660.53","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H77 Mo4 N13 O21 -","- C68 H77 Mo4 N13 O21 -","- C136 H154 Mo8 N26 O42 -","2","0.5","","Claire, F. James; Tenney, Stephanie M.; Li, Minyuan M.; Siegler, Maxime A.; Wagner, Justine S.; Hall, Anthony Shoji; Kempa, Thomas J.","Hierarchically Ordered Two-Dimensional Coordination Polymers Assembled from Redox-Active Dimolybdenum Clusters.","Journal of the American Chemical Society","2018","140","34","10673","10676","10.1021/jacs.8b06331","","","1.54178","CuKα","","0.0475","0.0281","","","0.0558","0.0633","","","","","","1.013","","","","has coordinates,has disorder","242677","2020-10-21","18:00:00",""
"4132776","8.1652","0.0004","19.9237","0.0008","11.5584","0.0005","90","","108.914","0.001","90","","1778.81","0.14","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 Pd -","- C18 H25 N3 Pd -","- C72 H100 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0421","0.0262","","","0.0518","0.0559","","","","","","1.029","","","","has coordinates","242678","2020-10-21","18:00:00",""
"4132777","9.9146","0.0006","18.0926","0.0012","10.9702","0.0008","90","","105.158","0.002","90","","1899.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 Pd -","- C21 H24 N4 Pd -","- C84 H96 N16 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","","0.71073","MoKα","","0.0422","0.0321","","","0.0796","0.0837","","","","","","1.075","","","","has coordinates","242679","2020-10-21","18:00:00",""
"4132778","10.2729","0.0008","17.4768","0.0012","7.5492","0.0007","90","","102.902","0.003","90","","1321.15","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 Pd -","- C14 H17 N3 Pd -","- C56 H68 N12 Pd4 -","4","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.1566","0.0742","","","0.115","0.1412","","","","","","1.023","","","","has coordinates","242680","2020-10-21","18:00:00",""
"4132779","8.1493","0.0005","10.1574","0.0007","10.6196","0.0008","113.946","0.002","91.188","0.002","96.721","0.002","795.61","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 F3 N3 Pd -","- C15 H16 F3 N3 Pd -","- C30 H32 F6 N6 Pd2 -","2","1","","Rudenko, Andrey E.; Clayman, Naomi E.; Walker, Katherine L.; Maclaren, Jana K.; Zimmerman, Paul M.; Waymouth, Robert M.","Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes.","Journal of the American Chemical Society","2018","140","36","11408","11415","10.1021/jacs.8b06398","","x-ray","0.71073","MoKα","","0.0327","0.0254","","","0.0618","0.0652","","","","","","1.071","","","","has coordinates,has disorder","242681","2020-10-21","18:00:00",""
"4132780","12.2741","0.0005","19.4126","0.0008","15.5112","0.0006","90","","108.397","0.002","90","","3507","0.2","100","2","100.01","","","","","","","","","8","P 1 21 1","P 2yb","4","","Plate","","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C77 H62 F3 Fe3 Mn N12 O8 S -","- C154 H124 F6 Fe6 Mn2 N24 O16 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0294","0.0256","","","0.0605","0.0617","","","","","","1.023","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132781","14.2908","0.0012","15.9691","0.0013","24.3709","0.0017","71.236","0.004","75.366","0.002","70.262","0.004","4891.6","0.7","100","2","99.99","","","","","","","","","10","P -1","-P 1","2","","","","- C105.06 H80.97 B Cl0.46 F3 Fe3 Mn N12 O10.47 S -","- C105.061 H80.972 B Cl0.456 F3 Fe3 Mn N12 O10.469 S -","- C210.122 H161.944 B2 Cl0.912 F6 Fe6 Mn2 N24 O20.938 S2 -","2","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","0.71073","MoKα","","0.0892","0.0635","","","0.1716","0.1897","","","","","","1.031","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132782","44.125","0.002","14.3106","0.0007","24.8034","0.001","90","","90.402","0.003","90","","15661.9","1.2","100","2","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H53.5 F9 Fe3 Mn N13.38 O14.12 S3 -","- C76 H53.5 F9 Fe3 Mn N13.379 O14.121 S3 -","- C608 H428 F72 Fe24 Mn8 N107.032 O112.968 S24 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1219","0.084","","","0.2131","0.2471","","","","","","1.038","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132783","12.2685","0.0006","29.896","0.002","19.6152","0.0017","90","","92.393","0.005","90","","7188.2","0.9","100","2","100.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C72 H62 F6 Fe3 Mn N12 O13 S2 -","- C288 H248 F24 Fe12 Mn4 N48 O52 S8 -","4","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1424","0.1109","","","0.206","0.223","","","","","","1.14","","","","has coordinates","242682","2020-10-21","18:00:00",""
"4132784","14.7283","0.0007","19.3808","0.001","45.518","0.002","90","","92.474","0.003","90","","12980.8","1.1","100","2","100.04","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C67 H49 F3 Fe3 Mn N12 O8 S -","- C536 H392 F24 Fe24 Mn8 N96 O64 S8 -","8","1","","Reed, Christopher J.; Agapie, Theodor","Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH<sub>2</sub>/OH Motifs Relevant to H<sub>2</sub>O Activation by the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","34","10900","10908","10.1021/jacs.8b06426","","","1.54178","CuKα","","0.1492","0.1305","","","0.2771","0.2862","","","","","","1.16","","","","has coordinates,has disorder","242682","2020-10-21","18:00:00",""
"4132785","8.048","0.0006","5.946","0.0004","34.639","0.003","90","","95.953","0.003","90","","1648.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 Br O3 -","- C20 H15 Br O3 -","- C80 H60 Br4 O12 -","4","2","","Cao, Yi-Ming; Lentz, Dieter; Christmann, Mathias","Synthesis of Enantioenriched Bromohydrins via Divergent Reactions of Racemic Intermediates from Anchimeric Oxygen Borrowing.","Journal of the American Chemical Society","2018","140","34","10677","10681","10.1021/jacs.8b06432","","","1.54178","CuKα","","0.029","0.028","","","0.0718","0.0724","","","","","","1.075","","","","has coordinates","242683","2020-10-21","18:00:00",""
"4132786","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Tian, Weisheng; Gui, Jinghan","Scalable Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","30","9413","9416","10.1021/jacs.8b06444","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","242684","2020-10-21","18:00:00",""
"4132787","26.483","0.003","21.984","0.002","20.235","0.002","90","","106.187","0.004","90","","11314","2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H83 Co F3 N6 O9 S -","- C52 H83 Co F3 N6 O9 S -","- C416 H664 Co8 F24 N48 O72 S8 -","8","2","","Shevick, Sophia L.; Obradors, Carla; Shenvi, Ryan A.","Mechanistic Interrogation of Co/Ni-Dual Catalyzed Hydroarylation.","Journal of the American Chemical Society","2018","140","38","12056","12068","10.1021/jacs.8b06458","","x-ray","0.71073","MoKα","","0.065","0.0413","","","0.0746","0.0826","","","","","","1.01","","","","has coordinates,has disorder","242685","2020-10-21","18:00:00",""
"4132788","15.4448","0.0011","19.9037","0.0013","26.3807","0.0018","86.411","0.005","82.181","0.006","79.782","0.006","7900.7","1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H22 Br2 N4 O8 -","- C53.946 H21.978 Br1.998 N3.996 O7.992 -","- C215.784 H87.912 Br7.992 N15.984 O31.968 -","4","2","","Ball, Melissa L.; Zhang, Boyuan; Xu, Qizhi; Paley, Daniel W.; Ritter, Virginia Cary; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin","Influence of Molecular Conformation on Electron Transport in Giant, Conjugated Macrocycles.","Journal of the American Chemical Society","2018","140","32","10135","10139","10.1021/jacs.8b06565","","x-ray","1.54184","CuKα","","0.2113","0.1673","","","0.4804","0.5119","","","","","","1.846","","","","has coordinates,has disorder","242686","2020-10-21","18:00:00",""
"4132789","9.16344","0.00015","15.7018","0.0003","17.4999","0.0003","90","","95.5026","0.0016","90","","2506.33","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 F12 N2 O3 W -","- C21 H22 F12 N2 O3 W -","- C84 H88 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0409","0.03","","","0.0554","0.0589","","","","","","1.05","","","","has coordinates,has disorder","242687","2020-10-21","18:00:00",""
"4132790","14.6224","0.0001","15.5338","0.0001","24.4917","0.0003","90","","92.123","0.001","90","","5559.26","0.09","100","4","100","4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","WO(OR)2(py)3","","- C23 H21 F12 N3 O3 W -","- C23 H21 F12 N3 O3 W -","- C184 H168 F96 N24 O24 W8 -","8","2","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0458","0.0335","","","0.0677","0.0725","","","","","","1.004","","","","has coordinates","242688","2020-10-21","18:00:00",""
"4132791","9.45008","0.00018","14.9417","0.0004","14.5852","0.0003","90","","99.0652","0.0019","90","","2033.71","0.08","111.92","0.15","111.92","0.15","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H59 Cl2 N O9 Si2 W -","- C29 H59 Cl2 N O9 Si2 W -","- C58 H118 Cl4 N2 O18 Si4 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0569","0.0534","","","0.1201","0.1226","","","","","","1.045","","","","has coordinates,has disorder","242689","2020-10-21","18:00:00",""
"4132792","19.9297","0.001","28.037","0.0014","16.571","0.0009","90","","90","","90","","9259.4","0.8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H69 N3 O9 Si2 W -","- C39 H69 N3 O9 Si2 W -","- C312 H552 N24 O72 Si16 W8 -","8","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","","0.71073","MoKα","","0.0945","0.038","","","0.0668","0.0831","","","","","","1.058","","","","has coordinates","242691","2020-10-21","18:00:00",""
"4132793","9.9222","0.0006","15.4195","0.001","15.579","0.001","90","","93.791","0.001","90","","2378.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","WO(OtBuF6)2(pyr)2(ethylene)","","- C20 H20 F12 N2 O3 W -","- C20 H20 F12 N2 O3 W -","- C80 H80 F48 N8 O12 W4 -","4","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0286","0.0217","","","0.044","0.0462","","","","","","1.029","","","","has coordinates","242693","2020-10-21","18:00:00",""
"4132794","9.8228","0.0006","9.9086","0.0006","14.9056","0.0008","89.146","0.002","75.888","0.002","78.116","0.002","1375.87","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","WO(OtBuF9)2(pyr)3","","- C23 H15 F18 N3 O3 W -","- C23 H15 F18 N3 O3 W -","- C46 H30 F36 N6 O6 W2 -","2","1","","Chan, Ka Wing; Lam, Erwin; D'Anna, Vincenza; Allouche, Florian; Michel, Carine; Safonova, Olga V.; Sautet, Philippe; Copéret, Christophe","C-H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)-Oxo Complex.","Journal of the American Chemical Society","2018","140","36","11395","11401","10.1021/jacs.8b06603","","x-ray","0.71073","MoKα","","0.0263","0.0205","","","0.0385","0.04","","","","","","1.068","","","","has coordinates,has disorder","242694","2020-10-21","18:00:00",""
"4132795","18.6672","0.0003","6.4223","0.0001","16.6077","0.0002","90","","90.374","0.001","90","","1990.99","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0317","0.0313","","","0.0829","0.0837","","","","","","1.038","","","","has coordinates","242695","2020-10-21","18:00:00",""
"4132796","9.2547","0.0001","14.4223","0.0003","16.4644","0.0002","90","","90","","90","","2197.57","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O2 -","- C25 H32 B N O2 -","- C100 H128 B4 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0345","0.0343","","","0.0866","0.0868","","","","","","1.019","","","","has coordinates","242696","2020-10-21","18:00:00",""
"4132797","32.768","0.007","32.768","0.007","7.461","0.0017","90","","90","","120","","6938","3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C342 H378 N18 O36 -","18","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.078","0.0617","","","0.1649","0.1765","","","","","","1.067","","","","has coordinates","242697","2020-10-21","18:00:00",""
"4132798","6.69","0.002","14.091","0.004","31.349","0.011","90","","90","","90","","2955.2","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0707","0.0458","","","0.1122","0.1275","","","","","","1.021","","","","has coordinates","242698","2020-10-21","18:00:00",""
"4132799","7.9251","0.0001","28.218","0.0004","7.5682","0.0001","90","","95.489","0.001","90","","1684.72","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0475","0.0461","","","0.1228","0.1244","","","","","","1.055","","","","has coordinates","242699","2020-10-21","18:00:00",""
"4132800","18.2222","0.0016","17.2648","0.0015","16.207","0.0014","90","","90","","90","","5098.8","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H38 B N O2 -","- C28 H38 B N O2 -","- C224 H304 B8 N8 O16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0552","0.0476","","","0.1158","0.1204","","","","","","1.047","","","","has coordinates","242701","2020-10-21","18:00:00",""
"4132801","15.0877","0.0018","11.8705","0.0011","19.9549","0.0018","90","","99.75","0.004","90","","3522.3","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 -","- C22 H24 N2 -","- C176 H192 N16 -","8","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","0.71073","MoKα","","0.0482","0.0406","","","0.0979","0.1018","","","","","","1.063","","","","has coordinates","242702","2020-10-21","18:00:00",""
"4132802","10.66779","0.00016","13.865","0.0002","13.5618","0.0002","90","","94.8127","0.0015","90","","1998.84","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H17 Br O2 -","- C27 H17 Br O2 -","- C108 H68 Br4 O8 -","4","2","","Wen, Wei; Chen, Lei; Luo, Ming-Jing; Zhang, Yan; Chen, Ying-Chun; Ouyang, Qin; Guo, Qi-Xiang","Chiral Aldehyde Catalysis for the Catalytic Asymmetric Activation of Glycine Esters.","Journal of the American Chemical Society","2018","140","30","9774","9780","10.1021/jacs.8b06676","","x-ray","1.54184","CuKα","","0.0675","0.0666","","","0.1735","0.1755","","","","","","1.019","","","","has coordinates","242703","2020-10-21","18:00:00",""
"4132803","9.609","0.0004","8.9512","0.0004","12.4737","0.0005","90","","101.073","0.001","90","","1052.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 N2 O3 -","- C24 H32 N2 O3 -","- C48 H64 N4 O6 -","2","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0265","0.0265","","","0.0684","0.0684","","","","","","1.062","","","","has coordinates","242704","2020-10-21","18:00:00",""
"4132804","7.8167","0.0003","15.1723","0.0005","20.1325","0.0007","90","","90","","90","","2387.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0574","0.0461","","","0.1154","0.1232","","","","","","1.026","","","","has coordinates","242705","2020-10-21","18:00:00",""
"4132805","15.6389","0.0003","15.6389","","13.9429","0.0004","90","","90","","90","","3410.09","0.12","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0536","0.0535","","","0.1449","0.1449","","","","","","1.059","","","","has coordinates,has disorder","242706","2020-10-21","18:00:00",""
"4132806","15.0337","0.0001","15.0402","0.0001","25.0437","0.0002","90","","90","","90","","5662.63","0.07","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N6 O5.5 Zn -","- C11 H9 N6 O5.5 Zn -","- C176 H144 N96 O88 Zn16 -","16","2","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0665","0.0659","","","0.1743","0.1754","","","","","","1.066","","","","has coordinates","242707","2020-10-21","18:00:00",""
"4132807","15.6362","0.0001","15.6362","","13.9515","0.0001","90","","90","","90","","3411.01","0.03","100","2","100","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- C12.5 H10.5 N5.5 O5.5 Zn -","- C11 H7 N5 O5 Zn -","- C88 H56 N40 O40 Zn8 -","8","0.5","","Xu, Li-Li; Zhang, Hai-Feng; Li, Mian; Ng, Seik Weng; Feng, Jiang-He; Mao, Jiang-Gao; Li, Dan","Chiroptical Activity from an Achiral Biological Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","37","11569","11572","10.1021/jacs.8b06725","","","1.54184","CuKα","","0.0279","0.0279","","","0.0792","0.0792","","","","","","1.026","","","","has coordinates,has disorder","242708","2020-10-21","18:00:00",""
"4132808","16.644","0.002","16.644","0.002","13.854","0.002","90","","90","","90","","3837.9","0.9","293","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","- C58 H32 N6 O9 V Zn2 -","1","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","0.8","Synchrotron","","0.0984","0.0879","","","0.2547","0.2703","","","","","","1.07","","","","has coordinates","242709","2020-10-21","18:00:00",""
"4132809","13.3796","0.0002","13.3796","0.0002","9.7766","0.0003","90","","90","","90","","1750.15","0.07","293","2","293","2","","","","","","","","5","I 4","I 4","79","Titanyl Tetraphenylporphyrin","","","- C44 H28 N4 O Ti -","- C44 H28 N4 O Ti -","- C88 H56 N8 O2 Ti2 -","2","0.25","","Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro","Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","38","12090","12101","10.1021/jacs.8b06733","","","1.54184","CuKα","","0.0579","0.0503","","","0.1325","0.1399","","","","","","1.037","","","","has coordinates,has disorder","242710","2020-10-21","18:00:00",""
"4132810","12.8801","0.0001","14.6375","0.0001","11.2233","0.0001","90","","93.525","0.001","90","","2111.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 N4 O -","- C23 H30 N4 O -","- C92 H120 N16 O4 -","4","1","","Siu, Juno C.; Sauer, Gregory S.; Saha, Ambarneil; Macey, Reed L.; Fu, Niankai; Chauviré, Timothée; Lancaster, Kyle M.; Lin, Song","Electrochemical Azidooxygenation of Alkenes Mediated by a TEMPO-N<sub>3</sub> Charge-Transfer Complex.","Journal of the American Chemical Society","2018","140","39","12511","12520","10.1021/jacs.8b06744","","x-ray","1.54184","CuKα","","0.04","0.0388","","","0.1041","0.105","","","","","","1.043","","","","has coordinates","242711","2020-10-21","18:00:00",""
"4132811","34.835","0.007","43.607","0.009","15.766","0.003","90","","90","","90","","23949","8","100","2","100","2","","","","","","","","5","F m m 2","F 2 -2","42","","","","- C44 H96 Cl4 O164 Zr36 -","- C44 H74 Cl4 O180 Zr36 -","- C176 H296 Cl16 O720 Zr144 -","4","0.25","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.65","synchrotron","","0.0597","0.0477","","","0.1264","0.133","","","","","","0.979","","","","has coordinates","242712","2020-10-21","18:00:00",""
"4132812","37.539","0.004","37.539","0.004","37.539","0.004","90","","90","","90","","52899","10","100","2","100","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C48 H96 Cl3 K3 O168 Zr36 -","- C48 H72 Cl3 K3 O178.2 Zr36 -","- C384 H576 Cl24 K24 O1425.6 Zr288 -","8","0.166667","","Choi, Jong In; Chun, Hyungphil; Lah, Myoung Soo","Zirconium-Formate Macrocycles and Supercage: Molecular Packing versus MOF-like Network for Water Vapor Sorption.","Journal of the American Chemical Society","2018","140","34","10915","10920","10.1021/jacs.8b06757","","","0.7","synchrotron","","0.0725","0.0645","","","0.1925","0.2021","","","","","","1.05","","","","has coordinates","242713","2020-10-21","18:00:00",""
"4132813","12.5727","0.0015","13.0829","0.0016","13.4393","0.0017","94.145","0.004","96.365","0.004","107.952","0.004","2076.7","0.4","100","","99.91","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H29 B F17 P -","- C47 H29 B F17 P -","- C94 H58 B2 F34 P2 -","2","1","","Mandal, Dipendu; Gupta, Richa; Young, Rowan D.","Selective Monodefluorination and Wittig Functionalization of gem-Difluoromethyl Groups to Generate Monofluoroalkenes.","Journal of the American Chemical Society","2018","140","34","10682","10686","10.1021/jacs.8b06770","","","0.71073","MoKα","","0.1345","0.0908","","","0.2228","0.262","","","","","","1.032","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4132814","14.0315","0.0012","14.0315","0.0012","10.2484","0.0017","90","","90","","120","","1747.4","0.4","100","2","99.98","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.079","0.068","","","0.1909","0.1963","","","","","","1.114","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132815","13.657","0.0011","13.657","0.0011","9.7446","0.001","90","","90","","120","","1574","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1506","0.1093","","","0.347","0.3778","","","","","","1.371","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132816","13.729","0.002","13.729","0.002","9.58","0.004","90","","90","","120","","1563.8","0.7","100","2","100.01","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1695","0.1393","","","0.4038","0.4215","","","","","","1.711","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132817","13.7048","0.0007","13.7048","0.0007","10.1772","0.001","90","","90","","120","","1655.4","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1047","0.0789","","","0.2526","0.2723","","","","","","1.14","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132818","22.04","0.006","18.983","0.005","34.465","0.008","90","","97.799","0.004","90","","14286","6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C150 H134 Au10 Cl2 O P8 Pd -","- C150 H134 Au10 Cl2 O P8 Pd -","- C600 H536 Au40 Cl8 O4 P32 Pd4 -","4","1","","Takano, Shinjiro; Hirai, Haru; Muramatsu, Satoru; Tsukuda, Tatsuya","Hydride-Mediated Controlled Growth of a Bimetallic (Pd@Au<sub>8</sub>)<sup>2+</sup> Superatom to a Hydride-Doped (HPd@Au<sub>10</sub>)<sup>3+</sup> Superatom.","Journal of the American Chemical Society","2018","140","39","12314","12317","10.1021/jacs.8b06783","","","0.71075","MoKα","","0.0656","0.0579","","","0.1389","0.1461","","","","","","1.131","","","","has coordinates","242716","2020-10-21","18:00:00",""
"4132819","25.297","0.008","28.549","0.006","13.719","0.005","90","","90","","90","","9908","5","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C12.76 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2241","0.1303","","","0.3431","0.4277","","","","","","1.212","","","","has coordinates,has disorder","242717","2020-10-21","18:00:00",""
"4132820","25.238","0.003","26.867","0.003","16.779","0.002","90","","90","","90","","11377","2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H6 O16 Zr3 -","- C13 H6 O16 Zr3 -","- C104 H48 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1224","0.0824","","","0.2176","0.2713","","","","","","1.015","","","","has coordinates","242718","2020-10-21","18:00:00",""
"4132821","25.325","0.002","28.408","0.003","14.2372","0.0016","90","","90","","90","","10242.7","1.8","300","","299.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.192","0.1222","","","0.3282","0.4042","","","","","","1.249","","","","has coordinates,has disorder","242719","2020-10-21","18:00:00",""
"4132822","25.1372","0.0007","28.199","0.0008","15.8108","0.0005","90","","90","","90","","11207.4","0.6","200","","199.99","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11.87 H5 O16 Zr3 -","- C11.8666 H5 O16 Zr3 -","- C94.9328 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.0692","0.0473","","","0.1401","0.1501","","","","","","1.076","","","","has coordinates","242720","2020-10-21","18:00:00",""
"4132823","25.1305","0.0009","26.1041","0.0011","18.9051","0.0009","90","","90","","90","","12401.9","0.9","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H3 O16 Zr4.8 -","- C13 H3 O16 Zr4.8 -","- C104 H24 O128 Zr38.4 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2184","0.1547","","","0.4405","0.4817","","","","","","1.834","","","","has coordinates","242721","2020-10-21","18:00:00",""
"4132824","25.385","0.003","30.661","0.003","8.2771","0.0009","90","","90","","90","","6442.3","1.2","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C11 H5 O16 Zr3 -","- C11 H5 O16 Zr3 -","- C88 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1164","0.0882","","","0.2212","0.239","","","","","","1.037","","","","has coordinates","242722","2020-10-21","18:00:00",""
"4132825","25.2517","0.0015","29.1742","0.0016","12.7318","0.0011","90","","90","","90","","9379.5","1.1","200","","200","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C23 H10 O28 Zr6 -","- C23 H10 O28 Zr6 -","- C92 H40 O112 Zr24 -","4","0.25","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.1176","0.0741","","","0.1961","0.2359","","","","","","0.952","","","","has coordinates","242723","2020-10-21","18:00:00",""
"4132826","25.347","0.002","28.534","0.004","13.8822","0.0015","90","","90","","90","","10040.3","1.9","250","","249.98","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- C13 H5 O16 Zr3 -","- C13 H5 O16 Zr3 -","- C104 H40 O128 Zr24 -","8","0.5","","Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei; Otake, Ken-Ichi; Wang, Xingjie; Redfern, Louis R.; Malliakas, Christos D.; Li, Zhanyong; Islamoglu, Timur; Wang, Bo; Farha, Omar K.","A Flexible Metal-Organic Framework with 4-Connected Zr<sub>6</sub> Nodes.","Journal of the American Chemical Society","2018","140","36","11179","11183","10.1021/jacs.8b06789","","x-ray","0.71073","MoKα","","0.2331","0.1297","","","0.3353","0.4277","","","","","","1.177","","","","has coordinates","242724","2020-10-21","18:00:00",""
"4132827","8.2246","0.0004","11.1146","0.0005","13.3192","0.0006","90","","90","","90","","1217.55","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Wang, Chao; Ge, Shaozhong","Versatile Cobalt-Catalyzed Enantioselective Entry to Boryl-Functionalized All-Carbon Quaternary Stereogenic Centers.","Journal of the American Chemical Society","2018","140","34","10687","10690","10.1021/jacs.8b06814","","","1.54178","CuKα","","0.0258","0.0256","","","0.0672","0.0675","","","","","","1.061","","","","has coordinates","242725","2020-10-21","18:00:00",""
"4132828","9.6162","0.0003","11.1763","0.0004","19.1286","0.0007","90","","90","","90","","2055.82","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O4 Si -","- C17 H32 O4 Si -","- C68 H128 O16 Si4 -","4","1","","Shim, Su Yong; Choi, Yuna; Ryu, Do Hyun","Asymmetric Synthesis of Cyclobutanone via Lewis Acid Catalyzed Tandem Cyclopropanation/Semipinacol Rearrangement.","Journal of the American Chemical Society","2018","140","36","11184","11188","10.1021/jacs.8b06835","","","0.71073","MoKα","","0.0813","0.0511","","","0.1123","0.1283","","","","","","1.035","","","","has coordinates","242726","2020-10-21","18:00:00",""
"4132829","15.389","0.002","15.389","0.002","15.389","0.002","90","","90","","90","","3644.4","0.8","143","2","143","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C56 H40 O2 -","- C55.9992 H39.9984 O1.9998 -","- C223.997 H159.994 O7.9992 -","4","0.166667","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0586","0.0447","","","0.1178","0.1269","","","","","","1.071","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132830","14.5888","0.0002","17.7841","0.0003","24.7553","0.0003","88.1169","0.0012","77.0096","0.0012","71.8812","0.0013","5943.27","0.16","123","2","123.15","","","","","","","","","3","P -1","-P 1","2","","","","- C76 H46.88 Cl3.38 -","- C76 H46.875 Cl3.375 -","- C304 H187.5 Cl13.5 -","4","2","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","x-ray","0.71073","MoKα","","0.1735","0.1122","","","0.3374","0.3797","","","","","","1.337","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132831","21.2743","0.0006","21.2743","0.0006","39.683","0.0013","90","","90","","120","","15554.1","0.8","123","","123","","","","","","","","","3","P 63","P 6c","173","","","","- C131 H48 S5.2 -","- C130.998 H48 S5.1664 -","- C785.99 H288 S30.9984 -","6","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71073","MoKα","","0.2331","0.1554","","","0.3771","0.4369","","","","","","1.596","","","","has coordinates,has disorder","242727","2020-10-21","18:00:00",""
"4132832","15.3269","0.0018","15.3269","0.0018","6.7369","0.0008","90","","90","","90","","1582.6","0.3","123","","123","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","","","- C32 H8 Br8 -","- C32 H8 Br8 -","- C64 H16 Br16 -","2","0.25","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0627","0.0499","","","0.1206","0.1269","","","","","","1.04","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132833","26.519","0.003","16.3677","0.0014","7.2411","0.0005","90","","91.013","0.003","90","","3142.5","0.5","123","2","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br8 -","- C32 H16 Br8 -","- C128 H64 Br32 -","4","0.5","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0257","0.0207","","","0.0549","0.056","","","","","","1.018","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132834","17.425","0.005","17.425","0.005","4.1752","0.0011","90","","90","","90","","1267.7","0.6","123","","123","2","","","","","","","","3","P -4","P -4","81","","","","- C16 H10 Br2 -","- C16 H10 Br2 -","- C64 H40 Br8 -","4","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0566","0.0437","","","0.0913","0.0946","","","","","","0.938","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132835","9.151","0.003","16.045","0.005","17.033","0.004","101.204","0.007","91.626","0.005","103.253","0.006","2380.9","1.2","123","2","123","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H24 Br12 -","- C48 H24 Br12 -","- C96 H48 Br24 -","2","1","","Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro","Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.","Journal of the American Chemical Society","2018","140","31","10054","10059","10.1021/jacs.8b06842","","","0.71075","MoKα","","0.0535","0.0308","","","0.0569","0.0636","","","","","","1.004","","","","has coordinates","242727","2020-10-21","18:00:00",""
"4132836","16.0517","0.0002","8.0441","0.0001","24.0949","0.0003","90","","101.394","0.001","90","","3049.85","0.07","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N7 O6 -","- C11 H15 N7 O6 -","- C88 H120 N56 O48 -","8","1","","Li, Hongze; Shen, Shou-Jie; Zhu, Cheng-Liang; Xu, Hao","Enantioselective Synthesis of Oseltamivir Phosphate (Tamiflu) via the Iron-Catalyzed Stereoselective Olefin Diazidation.","Journal of the American Chemical Society","2018","140","33","10619","10626","10.1021/jacs.8b06900","","","1.54178","CuKα","","0.0351","0.0344","","","0.0879","0.0886","","","","","","1.065","","","","has coordinates","242728","2020-10-21","18:00:00",""
"4132837","21.9819","0.0008","40.8081","0.0014","26.4575","0.0008","90","","109.805","0.001","90","","22329.6","1.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 Ni P16 -","- C208 H176 Cu8 N8 Ni P16 -","- C832 H704 Cu32 N32 Ni4 P64 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.0801","0.0479","","","0.1282","0.1361","","","","","","1.056","","","","has coordinates,has disorder","242729","2020-10-21","18:00:00",""
"4132838","22.102","0.003","41.025","0.007","26.653","0.003","90","","109.729","0.005","90","","22749","6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pt -","- C208 H176 Cu8 N8 P16 Pt -","- C832 H704 Cu32 N32 P64 Pt4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1172","0.0591","","","0.1309","0.146","","","","","","0.977","","","","has coordinates,has disorder","242730","2020-10-21","18:00:00",""
"4132839","25.734","0.002","25.734","","15.573","0.001","90","","90","","120","","8931.4","0.9","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C52 H44 Cl0 Cu2 F0 N2 P4 -","- C52 H44 Cu2 N2 P4 -","- C312 H264 Cu12 N12 P24 -","6","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71069","MoKα","","0.0894","0.0587","","","0.1356","0.1463","","","","","","0.935","","","","has coordinates,has disorder","242731","2020-10-21","18:00:00",""
"4132840","22.143","0.002","40.92","0.004","26.645","0.002","90","","109.747","0.004","90","","22723","4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C208 H176 Cl0 Cu8 F0 N8 P16 Pd -","- C208 H176 Cu8 N8 P16 Pd -","- C832 H704 Cu32 N32 P64 Pd4 -","4","1","","Evariste, Sloane; Khalil, Ali Moustafa; Moussa, Mehdi Elsayed; Chan, Alan Kwun-Wa; Hong, Eugene Yau-Hin; Wong, Hok-Lai; Le Guennic, Boris; Calvez, Guillaume; Costuas, Karine; Yam, Vivian Wing-Wah; Lescop, Christophe","Adaptive Coordination-Driven Supramolecular Syntheses toward New Polymetallic Cu(I) Luminescent Assemblies.","Journal of the American Chemical Society","2018","140","39","12521","12526","10.1021/jacs.8b06901","","","0.71073","MoKα","","0.1047","0.0536","","","0.1244","0.1375","","","","","","0.953","","","","has coordinates,has disorder","242732","2020-10-21","18:00:00",""
"4132841","9.953","0.002","11.3275","0.0018","20.749","0.007","100.758","0.014","92.964","0.018","107.228","0.017","2180.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C94 H148 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0634","0.0463","","","0.1036","0.1112","","","","","","1.043","","","","has coordinates","242733","2020-10-21","18:00:00",""
"4132842","9.284","0.003","10.496","0.003","13.51","0.004","85.852","0.009","89.48","0.02","76.537","0.009","1276.9","0.7","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H44 B N3 -","- C27 H44 B N3 -","- C54 H88 B2 N6 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0703","0.0465","","","0.101","0.1118","","","","","","1.02","","","","has coordinates","242734","2020-10-21","18:00:00",""
"4132843","10.2712","0.0015","13.8992","0.0018","16.968","0.002","112.261","0.004","95.387","0.005","95.049","0.005","2211.8","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H76 B2 N4 -","- C47 H76 B2 N4 -","- C94 H152 B4 N8 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.07","0.0495","","","0.1153","0.1294","","","","","","1.016","","","","has coordinates","242735","2020-10-21","18:00:00",""
"4132844","10.071","0.006","11.638","0.006","20.934","0.013","75.374","0.018","87.833","0.017","71.33","0.02","2247","2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H74 B2 N4 O -","- C48 H74 B2 N4 O -","- C96 H148 B4 N8 O2 -","2","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0565","0.0412","","","0.0933","0.1011","","","","","","1.024","","","","has coordinates","242736","2020-10-21","18:00:00",""
"4132845","9.589","0.005","26.28","0.014","17.416","0.018","90","","95.42","0.05","90","","4369","6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H74 B2 N4 -","- C47 H74 B2 N4 -","- C188 H296 B8 N16 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0959","0.0539","","","0.1119","0.128","","","","","","1.009","","","","has coordinates","242737","2020-10-21","18:00:00",""
"4132846","11.7","0.006","29.459","0.015","15.953","0.005","90","","92.18","0.03","90","","5495","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B2 N6 -","- C60 H92 B2 N6 -","- C240 H368 B8 N24 -","4","1","","Böhnke, Julian; Arrowsmith, Merle; Braunschweig, Holger","Reactivity Enhancement of a Zerovalent Diboron Compound by Desymmetrization.","Journal of the American Chemical Society","2018","140","32","10368","10373","10.1021/jacs.8b06930","","","0.71073","MoKα","","0.0511","0.0399","","","0.0934","0.099","","","","","","1.017","","","","has coordinates","242738","2020-10-21","18:00:00",""
"4132847","12.5497","0.0017","16.7205","0.0017","49.892","0.007","90","","90","","90","","10469","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H83 Cl17 N4 O S6 -","- C94 H83 Cl17 N4 O S6 -","- C376 H332 Cl68 N16 O4 S24 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","1.54184","CuKα","","0.2229","0.1417","","","0.2946","0.3695","","","","","","1.116","","","","has coordinates,has disorder","242739","2020-10-21","18:00:00",""
"4132848","13.511","0.003","27.674","0.006","14.945","0.003","90","","115.79","0.03","90","","5031","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 N2 S3 -","- C42 H30 N2 S3 -","- C168 H120 N8 S12 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.1368","0.1272","","","0.3594","0.3649","","","","","","1.089","","","","has coordinates","242740","2020-10-21","18:00:00",""
"4132849","12.841","0.003","13.475","0.003","13.87","0.003","90.48","0.03","109.93","0.03","96.86","0.03","2237","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 N2 S3 -","- C42 H31 N2 S3 -","- C84 H62 N4 S6 -","2","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0886","0.0867","","","0.2683","0.2692","","","","","","1.092","","","","has coordinates","242741","2020-10-21","18:00:00",""
"4132850","16.094","0.003","35.62","0.007","15.672","0.003","90","","90","","90","","8984","3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C84 H63 I3 N4 S6 -","- C84 H63 I3 N4 S6 -","- C336 H252 I12 N16 S24 -","4","0.5","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","0.6525","synchrotron","","0.0712","0.0653","","","0.1867","0.1949","","","","","","1.024","","","","has coordinates","242742","2020-10-21","18:00:00",""
"4132851","8.712","0.012","9.31","0.012","10.408","0.014","90.938","0.015","106.524","0.011","110.571","0.016","751.3","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","- C30 H40 N2 O2 S4 -","1","0.5","","Zang, Yaping; Ray, Suman; Fung, E-Dean; Borges, Anders; Garner, Marc H.; Steigerwald, Michael L.; Solomon, Gemma C.; Patil, Satish; Venkataraman, Latha","Resonant Transport in Single Diketopyrrolopyrrole Junctions.","Journal of the American Chemical Society","2018","140","41","13167","13170","10.1021/jacs.8b06964","","","0.71073","MoKα","","0.0759","0.0597","","","0.1956","0.2234","","","","","","0.853","","","","has coordinates","242743","2020-10-21","18:00:00",""
"4132852","8.4494","0.0006","12.7483","0.0008","25.855","0.002","90","","90","","90","","2785","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C128 H112 I8 N8 O8 -","8","2","","Yoon, Hyung; Marchese, Austin D.; Lautens, Mark","Carboiodination Catalyzed by Nickel.","Journal of the American Chemical Society","2018","140","35","10950","10954","10.1021/jacs.8b06966","","","0.71073","MoKα","","0.052","0.0392","","","0.0859","0.0908","","","","","","1.045","","","","has coordinates,has disorder","242744","2020-10-21","18:00:00",""
"4132853","12.9127","0.0005","15.209","0.0006","27.6092","0.0009","90","","90.251","0.003","90","","5422.1","0.3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C54 H59 Cl2 Fe2 O2 P3 S3 -","- C216 H236 Cl8 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71073","MoKα","","0.0784","0.0526","","","0.1155","0.1253","","","","","","1.012","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132854","13.971","0.002","25.09","0.004","18.274","0.003","90","","102.738","0.002","90","","6248","1.7","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C54 H60 B Cl2 F4 Fe2 O2 P3 S3 -","- C216 H240 B4 Cl8 F16 Fe8 O8 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","","0.71","MoKα","","0.1201","0.0621","","","0.1386","0.1718","","","","","","1.017","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132855","17.9369","0.0005","18.5508","0.0006","18.5978","0.0006","87.191","0.003","75.218","0.003","72.693","0.003","5710.2","0.3","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C85 H70 B F24 Fe2 O2 P3 S3 -","- C170 H140 B2 F48 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.1","0.0759","","","0.2119","0.2416","","","","","","1.129","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132856","12.9031","0.0005","14.8618","0.0006","17.6715","0.0007","97.274","0.003","107.312","0.003","109.106","0.004","2961.3","0.2","172.9","0.5","172.9","0.5","","","","","","","","9","P -1","-P 1","2","","","","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C56 H64 B Cl4 F4 Fe2 O2 P3 S3 -","- C112 H128 B2 Cl8 F8 Fe4 O4 P6 S6 -","2","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","0.71073","MoKα","","0.0715","0.0519","","","0.1328","0.1414","","","","","","1.09","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132857","12.6592","0.0002","21.1825","0.0004","23.4254","0.0004","90","","97.296","0.002","90","","6230.74","0.19","173","0.1","173","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C57 H62 B Cl6 F4 Fe2 O3 P3 S3 -","- C228 H248 B4 Cl24 F16 Fe8 O12 P12 S12 -","4","1","","Yu, Xin; Pang, Maofu; Zhang, Shengnan; Hu, Xinlong; Tung, Chen-Ho; Wang, Wenguang","Terminal Thiolate-Dominated H/D Exchanges and H<sub>2</sub> Release: Diiron Thiol-Hydride.","Journal of the American Chemical Society","2018","140","36","11454","11463","10.1021/jacs.8b06996","","x-ray","1.54184","CuKα","","0.0772","0.0559","","","0.116","0.1326","","","","","","1.036","","","","has coordinates","242745","2020-10-21","18:00:00",""
"4132858","11.9577","0.0006","16.1735","0.0005","20.8289","0.0013","94.728","0.004","105.621","0.005","95.118","0.003","3840.1","0.3","173","0.14","173","0.14","","","","","","","","8","P -1","-P 1","2","","","","- C61 H87 B F24 Fe N2 P4 Si3 -","- C61 H87 B F24 Fe N2 P4 Si3 -","- C122 H174 B2 F48 Fe2 N4 P8 Si6 -","2","1","","Piascik, Adam D.; Li, Ruohao; Wilkinson, Harry J.; Green, Jennifer C.; Ashley, Andrew E.","Fe-Catalyzed Conversion of N<sub>2</sub> to N(SiMe<sub>3</sub>)<sub>3</sub> via an Fe-Hydrazido Resting State.","Journal of the American Chemical Society","2018","140","34","10691","10694","10.1021/jacs.8b06999","","x-ray","0.71073","MoKα","","0.1426","0.079","","","0.1875","0.2098","","","","","","1.013","","","","has coordinates,has disorder","242746","2020-10-21","18:00:00",""
"4132859","5.7976","0.0004","9.0018","0.0007","32.4827","0.0018","90","","90","","90","","1695.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Huang, Rui-Zhi; Lau, Kai Kiat; Li, Zhaofeng; Liu, Tang-Lin; Zhao, Yu","Rhodium-Catalyzed Enantioconvergent Isomerization of Homoallylic and Bishomoallylic Secondary Alcohols.","Journal of the American Chemical Society","2018","140","44","14647","14654","10.1021/jacs.8b07007","","","1.54178","CuKα","","0.0289","0.0288","","","0.0771","0.0771","","","","","","0.999","","","","has coordinates","242747","2020-10-21","18:00:00",""
"4132860","22.24","0.005","22.24","0.005","15.76","0.005","90","","90","","90","","7795","4","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C60 N8 O32 Zr6 -","- C60 N8 O32 Zr6 -","- C120 N16 O64 Zr12 -","2","0.0625","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.82656","synchrotron","","0.1779","0.1614","","","0.427","0.4507","","","","","","1.837","","","","has coordinates","242748","2020-10-21","18:00:00",""
"4132861","21.19","0.005","21.19","0.005","18.91","0.005","90","0.005","90","0.005","90","0.005","8491","4","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C24 H12 N4 O16 Zr3 -","- C24 H12 N4 O16 Zr3 -","- C96 H48 N16 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.147","0.125","","","0.3303","0.3753","","","","","","1.57","","","","has coordinates","242749","2020-10-21","18:00:00",""
"4132862","16.68","","16.68","","17.94","","90","","90","","90","","4991.31","","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C12 H8 O16 Zr3 -","- C12 H8 O16 Zr3 -","- C48 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.1488","0.138","","","0.3859","0.3986","","","","","","1.655","","","","has coordinates","242750","2020-10-21","18:00:00",""
"4132863","17.54","0.005","17.54","0.005","22.85","0.005","90","0.005","90","0.005","90","0.005","7030","3","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C24 H8 O16 Zr3 -","- C24 H8 O16 Zr3 -","- C96 H32 O64 Zr12 -","4","0.125","","Guillerm, Vincent; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Maspoch, Daniel","Zigzag Ligands for Transversal Design in Reticular Chemistry: Unveiling New Structural Opportunities for Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","32","10153","10157","10.1021/jacs.8b07050","","","0.71656","synchrotron","","0.0985","0.0791","","","0.2255","0.2555","","","","","","1.141","","","","has coordinates","242751","2020-10-21","18:00:00",""
"4132864","11.8908","0.0003","15.5218","0.0003","19.7689","0.0005","95.344","0.001","90.555","0.001","108.045","0.001","3451.27","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","- C165 H252 Li8 N8 -","1","0.5","","Mesgar, Milad; Nguyen-Le, Justin; Daugulis, Olafs","New Hindered Amide Base for Aryne Insertion into Si-P, Si-S, Si-N, and C-C Bonds.","Journal of the American Chemical Society","2018","140","42","13703","13710","10.1021/jacs.8b07064","","","1.54178","CuKα","","0.0668","0.0591","","","0.1575","0.1674","","","","","","1.014","","","","has coordinates,has disorder","242752","2020-10-21","18:00:00",""
"4132865","23.127","0.004","7.4851","0.0012","24.166","0.004","90","","117.648","0.002","90","","3705.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.65 H80.68 N9 O12.41 S3 -","- C57.663 H80.698 N9 O12.407 S3 -","- C115.326 H161.396 N18 O24.814 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1471","0.0914","","","0.2259","0.2612","","","","","","1.04","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132866","24.069","0.002","24.069","0.002","7.3724","0.0007","90","","90","","120","","3698.8","0.6","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.71 H75 F4.71 N9 O12 S3 -","- C58.71 H75 F4.71 N9 O12 S3 -","- C117.42 H150 F9.42 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0552","0.0466","","","0.1108","0.1157","","","","","","1.072","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132867","24.1573","0.0019","24.1573","0.0019","7.3306","0.0006","90","","90","","120","","3704.8","0.5","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C60 H75 F6 N9 O12 S3 -","- C60 H75 F6 N9 O12 S3 -","- C120 H150 F12 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0374","0.0334","","","0.0806","0.0843","","","","","","1.041","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132868","23.536","0.016","7.566","0.005","23.941","0.017","90","","118.697","0.013","90","","3740","4","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52.3 H72.35 N9 O11.81 S3 -","- C52.29 H72.34 N9 O11.81 S3 -","- C104.58 H144.68 N18 O23.62 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1721","0.1524","","","0.3773","0.4011","","","","","","1.524","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132869","23.138","0.003","7.4965","0.0009","24.249","0.003","90","","117.913","0.0019","90","","3716.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.99 H78.1 N9 O12.22 S3 -","- C55.989 H78.094 N9 O12.221 S3 -","- C111.978 H156.188 N18 O24.442 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1178","0.0853","","","0.2315","0.2637","","","","","","1.015","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132870","23.56","0.02","7.427","0.007","24.06","0.02","90","","119.054","0.008","90","","3680","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.97 H68.53 F2.13 N9 O11.54 S3 -","- C52.02 H68.56 F2.16 N9 O11.54 S3 -","- C104.04 H137.12 F4.32 N18 O23.08 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.186","0.1634","","","0.4232","0.4395","","","","","","1.669","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132871","23.775","0.019","7.455","0.006","24.128","0.019","90","","119.33","0.007","90","","3728","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51.86 H67.42 F2.74 N9 O11.46 S3 -","- C51.9 H67.44 F2.76 N9 O11.46 S3 -","- C103.8 H134.88 F5.52 N18 O22.92 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1512","0.1335","","","0.3627","0.3766","","","","","","1.502","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132872","24.102","0.013","24.102","0.013","7.467","0.004","90","","90","","120","","3756","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C53.9 H69.35 F3.53 N9 O11.6 S3 -","- C53.922 H69.372 F3.54 N9 O11.598 S3 -","- C107.844 H138.744 F7.08 N18 O23.196 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1215","0.1013","","","0.2538","0.2711","","","","","","1.06","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132873","23.156","0.003","7.5003","0.0011","24.257","0.003","90","","117.923","0.002","90","","3722.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.79 H77.78 N9 O12.2 S3 -","- C55.8 H77.8 N9 O12.2 S3 -","- C111.6 H155.6 N18 O24.4 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1187","0.0853","","","0.2285","0.2586","","","","","","1.018","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132874","24.155","0.016","24.155","0.016","7.471","0.005","90","","90","","120","","3775","4","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C55.24 H71.95 F3.2 N9 O11.78 S3 -","- C55.254 H71.976 F3.198 N9 O11.784 S3 -","- C110.508 H143.952 F6.396 N18 O23.568 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1132","0.0877","","","0.2165","0.2346","","","","","","1.072","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132875","24.002","0.005","24.002","0.005","7.3978","0.0014","90","","90","","120","","3690.9","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.32 H73.09 F3.55 N9 O11.86 S3 -","- C56.31 H73.068 F3.552 N9 O11.862 S3 -","- C112.62 H146.136 F7.104 N18 O23.724 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0792","0.0617","","","0.157","0.1678","","","","","","1.052","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132876","24.012","0.005","24.012","0.005","7.3899","0.0015","90","","90","","120","","3690","1.3","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C56.94 H73.66 F3.8 N9 O11.9 S3 -","- C56.94 H73.656 F3.804 N9 O11.904 S3 -","- C113.88 H147.312 F7.608 N18 O23.808 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0755","0.055","","","0.1353","0.1459","","","","","","1.057","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132877","22.955","0.005","7.4557","0.0016","24.079","0.005","90","","117.366","0.003","90","","3659.8","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.06 H79.76 N9 O12.34 S3 -","- C57.06 H79.76 N9 O12.34 S3 -","- C114.12 H159.52 N18 O24.68 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0996","0.0781","","","0.2126","0.2289","","","","","","1.051","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132878","24.031","0.003","24.031","0.003","7.4029","0.0009","90","","90","","120","","3702.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C58.98 H75 F4.98 N9 O12 S3 -","- C58.974 H75 F4.974 N9 O12 S3 -","- C117.948 H150 F9.948 N18 O24 S6 -","2","0.333333","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.0389","0.035","","","0.0873","0.0896","","","","","","1.064","","","","has coordinates","242753","2020-10-21","18:00:00",""
"4132879","23.083","0.006","7.4875","0.0019","24.195","0.006","90","","117.476","0.004","90","","3710","1.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.35 H80.21 N9 O12.37 S3 -","- C57.33 H80.18 N9 O12.37 S3 -","- C114.66 H160.36 N18 O24.74 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.71073","MoKα","","0.1077","0.0774","","","0.2043","0.2313","","","","","","1.013","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132880","23.21","0.007","7.505","0.002","24.29","0.007","90","","118.069","0.006","90","","3733.4","1.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55.58 H77.45 N9 O12.18 S3 -","- C55.593 H77.478 N9 O12.177 S3 -","- C111.186 H154.956 N18 O24.354 S6 -","2","1","","Li, Yuantao; Handke, Marcel; Chen, Yu-Sheng; Shtukenberg, Alexander G.; Hu, Chunhua T.; Ward, Michael D.","Guest Exchange through Facilitated Transport in a Seemingly Impenetrable Hydrogen-Bonded Framework.","Journal of the American Chemical Society","2018","140","40","12915","12921","10.1021/jacs.8b07065","","","0.41328","synchrotron","","0.2129","0.1386","","","0.3236","0.3789","","","","","","1.246","","","","has coordinates,has disorder","242753","2020-10-21","18:00:00",""
"4132881","13.9142","0.0002","8.6687","0.0001","15.2614","0.0002","90","","106.428","0.001","90","","1765.65","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.0416","0.0361","","","0.094","0.0982","","","","","","1.039","","","","has coordinates","242754","2020-10-21","18:00:00",""
"4132882","4.9956","0.0002","9.5201","0.0004","17.7596","0.0007","102.122","0.003","92.757","0.003","90.57","0.003","824.66","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C36 H42 N6 O4 -","2","1","","Shao, Baihao; Baroncini, Massimo; Qian, Hai; Bussotti, Laura; Di Donato, Mariangela; Credi, Alberto; Aprahamian, Ivan","Solution and Solid-State Emission Toggling of a Photochromic Hydrazone.","Journal of the American Chemical Society","2018","140","39","12323","12327","10.1021/jacs.8b07108","","","1.54178","CuKα","","0.1159","0.0585","","","0.1267","0.1527","","","","","","0.977","","","","has coordinates,has disorder","242755","2020-10-21","18:00:00",""
"4132883","17.7914","0.0005","22.1948","0.0006","12.5214","0.0003","90","","108.913","0.003","90","","4677.5","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 O8 Th -","- C24 H12 O8 Th -","- C192 H96 O64 Th8 -","8","1","","Andreo, Jacopo; Priola, Emanuele; Alberto, Gabriele; Benzi, Paola; Marabello, Domenica; Proserpio, Davide M.; Lamberti, Carlo; Diana, Eliano","Autoluminescent Metal-Organic Frameworks (MOFs): Self-Photoemission of a Highly Stable Thorium MOF.","Journal of the American Chemical Society","2018","140","43","14144","14149","10.1021/jacs.8b07113","","x-ray","1.54184","CuKα","","0.036","0.0206","","","0.045","0.0513","","","","","","1.053","","","","has coordinates","242756","2020-10-21","18:00:00",""
"4132884","12.2182","0.0011","18.0171","0.0017","12.297","0.0012","90","","92.787","0.002","90","","2703.8","0.4","293","2","293","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C54 H64 B Cl4 F4 N2 O4 P2 Rh -","- C108 H128 B2 Cl8 F8 N4 O8 P4 Rh2 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0565","0.0509","","","0.1217","0.1254","","","","","","1.035","","","","has coordinates","242757","2020-10-21","18:00:00",""
"4132885","8.1187","0.0005","17.3795","0.0011","26.7272","0.0017","90","","90","","90","","3771.2","0.4","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 N O4 -","- C46 H55 N O4 -","- C184 H220 N4 O16 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0589","0.0455","","","0.1053","0.1125","","","","","","1.031","","","","has coordinates","242758","2020-10-21","18:00:00",""
"4132886","11.4166","0.0014","11.8782","0.0015","13.8141","0.0017","90","","90","","90","","1873.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O2 P -","- C22 H24 N O2 P -","- C88 H96 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0481","0.0437","","","0.1037","0.1069","","","","","","1.053","","","","has coordinates","242759","2020-10-21","18:00:00",""
"4132887","9.5365","0.001","9.5132","0.001","12.9888","0.0014","90","","97.298","0.002","90","","1168.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br2 N O3 -","- C25 H27 Br2 N O3 -","- C50 H54 Br4 N2 O6 -","2","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0493","0.039","","","0.0904","0.095","","","","","","0.922","","","","has coordinates","242760","2020-10-21","18:00:00",""
"4132888","11.5285","0.0015","14.1892","0.0018","18.146","0.002","90","","90","","90","","2968.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N O2 P -","- C36 H36 N O2 P -","- C144 H144 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.064","0.0506","","","0.1218","0.1306","","","","","","1.023","","","","has coordinates","242761","2020-10-21","18:00:00",""
"4132889","9.8789","0.0007","16.8273","0.0011","18.6928","0.0012","90","","92.193","0.001","90","","3105.1","0.4","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Au Cl N O2 P -","- C36 H36 Au Cl N O2 P -","- C144 H144 Au4 Cl4 N4 O8 P4 -","4","2","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0296","0.0233","","","0.0527","0.0565","","","","","","1.004","","","","has coordinates","242762","2020-10-21","18:00:00",""
"4132890","16.751","0.0018","18.5377","0.0019","11.9955","0.0013","90","","90","","90","","3724.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H48 Cl N O2 P Rh -","- C44 H48 Cl N O2 P Rh -","- C176 H192 Cl4 N4 O8 P4 Rh4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0439","0.0401","","","0.0912","0.0933","","","","","","1.096","","","","has coordinates","242763","2020-10-21","18:00:00",""
"4132891","9.9333","0.0009","11.0826","0.001","17.7523","0.0017","90","","90","","90","","1954.3","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0568","0.0419","","","0.0949","0.1024","","","","","","1.021","","","","has coordinates","242764","2020-10-21","18:00:00",""
"4132892","8.3744","0.0009","25.699","0.003","9.3187","0.0009","90","","90","","90","","2005.5","0.4","130","","130","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0808","0.0478","","","0.0926","0.1057","","","","","","1.012","","","","has coordinates","242765","2020-10-21","18:00:00",""
"4132893","10.326","0.0005","25.5247","0.0011","11.4411","0.0005","90","","91.155","0.002","90","","3014.9","0.2","100","2","99.9","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.32 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C59.322 H39 Cl5.89 Co2 F6 N6 O12 S2 -","- C118.644 H78 Cl11.78 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0738","0.0613","","","0.1365","0.1461","","","","","","1.058","","","","has coordinates,has disorder","242766","2020-10-21","18:00:00",""
"4132894","10.3499","0.0005","25.461","0.0012","11.4211","0.0006","90","","91.403","0.003","90","","3008.8","0.3","100","2","100.15","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59.42 H45.61 Cl3.81 Co2 F6 N6 O12 S2 -","- C59.406 H45.604 Cl3.802 Co2 F6 N6 O12 S2 -","- C118.812 H91.208 Cl7.604 Co4 F12 N12 O24 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0572","0.0509","","","0.1131","0.1159","","","","","","1.045","","","","has coordinates,has disorder","242768","2020-10-21","18:00:00",""
"4132895","10.2985","0.0004","22.9298","0.0009","25.5072","0.0009","90","","90","","90","","6023.3","0.4","100","2","100.29","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C223.2 H172.8 Cl8 F36 N24 O51.2 S8 Zn8 -","4","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0681","0.0657","","","0.1934","0.1953","","","","","","1.101","","","","has coordinates,has disorder","242769","2020-10-21","18:00:00",""
"4132896","10.1791","0.0003","25.6037","0.0008","11.4781","0.0004","90","","90.4539","0.0018","90","","2991.36","0.17","100","2","100.34","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H55 Co2 F9 N6 O14 S2 -","- C59 H55 Co2 F9 N6 O14 S2 -","- C118 H110 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0724","0.0634","","","0.1402","0.1467","","","","","","1.108","","","","has coordinates,has disorder","242770","2020-10-21","18:00:00",""
"4132897","10.164","0.0006","25.6088","0.0015","11.4722","0.0007","90","","90.213","0.003","90","","2986.1","0.3","100","2","100.22","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C57 H49 Cl2 Co2 F9 N6 O14 S2 -","- C114 H98 Cl4 Co4 F18 N12 O28 S4 -","2","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0625","0.0505","","","0.1092","0.117","","","","","","1.03","","","","has coordinates,has disorder","242771","2020-10-21","18:00:00",""
"4132898","21.588","0.0013","21.588","0.0013","41.146","0.003","90","","90","","120","","16606.7","1.9","296","2","296","2","","","","","","","","5","P 32 1 2","P 32 2 (0 0 2)","153","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0461","0.0317","","","0.0703","0.0752","","","","","","0.969","","","","has coordinates","242772","2020-10-21","18:00:00",""
"4132899","24.8037","0.0008","24.8037","0.0008","44.986","0.003","90","","90","","120","","23968.5","1.9","170","2","170","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 In35 N0 O15 S48 -","- C9 In35 O15 S48 -","- C36 In140 O60 S192 -","4","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.115","0.0878","","","0.2804","0.3154","","","","","","1.142","","","","has coordinates,has disorder","242773","2020-10-21","18:00:00",""
"4132900","21.5809","0.0019","21.5809","0.0019","41.108","0.004","90","","90","","120","","16580","3","296","2","296","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C6 In35 N4 O8 S48 -","- C6 In35 N4 O8 S48 -","- C18 In105 N12 O24 S144 -","3","0.5","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.0557","0.0314","","","0.0824","0.1037","","","","","","0.701","","","","has coordinates","242775","2020-10-21","18:00:00",""
"4132901","25.029","0.002","30.399","0.003","17.1175","0.0017","90","","109.996","0.006","90","","12239","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 In10 N0 O8 S16 -","- C9 In10 O8 S16 -","- C36 In40 O32 S64 -","4","1","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1579","0.1341","","","0.3145","0.3264","","","","","","1.03","","","","has coordinates","242776","2020-10-21","18:00:00",""
"4132902","37.421","0.003","37.421","0.003","20.6962","0.0017","90","","90","","120","","25099","4","120","2","120","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C9 H3 Fe12 In48 N0 O15 S93 -","- C9 H3 Fe12 In48 O15 S93 -","- C18 H6 Fe24 In96 O30 S186 -","2","0.166667","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.1218","0.0792","","","0.2103","0.2286","","","","","","1.156","","","","has coordinates","242777","2020-10-21","18:00:00",""
"4132903","29.569","0.002","29.569","0.002","54.901","0.008","90","","90","","90","","48001","8","296","2","296","2","","","","","","","","2","I 41/a c d :2","-I 4bd 2c","142","","","","- In136 S216 -","- In136 S216 -","- In272 S432 -","2","0.0625","","Yang, Huajun; Zhang, Jiaxu; Luo, Min; Wang, Wei; Lin, Haiping; Li, Youyong; Li, Dongsheng; Feng, Pingyun; Wu, Tao","The Largest Supertetrahedral Oxychalcogenide Nanocluster and Its Unique Assembly.","Journal of the American Chemical Society","2018","140","36","11189","11192","10.1021/jacs.8b07349","","","0.71073","MoKα","","0.2039","0.1061","","","0.3201","0.4106","","","","","","1.047","","","","has coordinates","242778","2020-10-21","18:00:00",""
"4132904","11.0414","0.0002","11.7274","0.0002","14.0159","0.0003","86.421","0.001","80.895","0.001","62.793","0.001","1593.64","0.05","302","2","302.02","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N3 O3 -","- C17 H19 N3 O3 -","- C68 H76 N12 O12 -","4","2","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","1.34139","GaKα","","0.0782","0.0532","","","0.1237","0.1435","","","","","","1.051","","","","has coordinates","242779","2020-10-21","18:00:00",""
"4132905","12.4909","0.0008","26.885","0.002","15.9657","0.0013","90","","92.28","0.002","90","","5357.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C228 H252 N36 O36 -","12","3","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.1387","0.0946","","","0.2572","0.3078","","","","","","0.998","","","","has coordinates,has disorder","242780","2020-10-21","18:00:00",""
"4132906","6.4918","0.0002","15.5506","0.0004","15.7687","0.0005","90","","90","","90","","1591.87","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0388","0.0342","","","0.0826","0.0861","","","","","","1.042","","","","has coordinates","242781","2020-10-21","18:00:00",""
"4132907","11.064","0.0005","6.8437","0.0003","11.2124","0.0005","90","","108.073","0.002","90","","807.1","0.06","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C38 H36 N8 O4 -","2","0.5","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0403","0.0368","","","0.0952","0.0984","","","","","","1.108","","","","has coordinates","242782","2020-10-21","18:00:00",""
"4132908","13.695","0.0007","7.7192","0.0004","15.7441","0.0007","90","","103.099","0.002","90","","1621.07","0.14","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H15 F3 N4 O2 -","- C16 H15 F3 N4 O2 -","- C64 H60 F12 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0607","0.0524","","","0.1218","0.13","","","","","","1.022","","","","has coordinates,has disorder","242783","2020-10-21","18:00:00",""
"4132909","16.6835","0.001","13.0751","0.0007","7.3965","0.0005","90","","105.815","0.002","90","","1552.39","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H15 Br N4 O2 -","- C15 H15 Br N4 O2 -","- C60 H60 Br4 N16 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0438","0.04","","","0.1057","0.1084","","","","","","1.058","","","","has coordinates","242784","2020-10-21","18:00:00",""
"4132910","7.4513","0.0006","12.5611","0.0011","18.4953","0.0015","90","","90","","90","","1731.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","","Leth, Lars A.; Næsborg, Line; Reyes-Rodríguez, Gabriel J; Tobiesen, Henriette N.; Iversen, Marc V.; Jørgensen, Karl Anker","Enantioselective Oxidative Coupling of Carboxylic Acids to α-Branched Aldehydes.","Journal of the American Chemical Society","2018","140","40","12687","12690","10.1021/jacs.8b07394","","","0.56086","AgKα","","0.0301","0.0286","","","0.0949","0.0976","","","","","","0.8658","","","","has coordinates","242785","2020-10-21","18:00:00",""
"4132911","9.3825","0.0006","10.3799","0.0006","11.1183","0.0003","76.894","0.004","89.918","0.004","73.255","0.005","1007.51","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Br F3 N2 Ni -","- C22 H19 Br F3 N2 Ni -","- C44 H38 Br2 F6 N4 Ni2 -","2","1","","Shen, Yangyang; Gu, Yiting; Martin, Ruben","sp<sup>3</sup> C-H Arylation and Alkylation Enabled by the Synergy of Triplet Excited Ketones and Nickel Catalysts.","Journal of the American Chemical Society","2018","140","38","12200","12209","10.1021/jacs.8b07405","","","0.7107","MoKα","","0.0777","0.0455","","","0.1031","0.1112","","","","","","0.919","","","","has coordinates","242786","2020-10-21","18:00:00",""
"4132912","18.569","0.005","34.591","0.0015","32.2034","0.0011","90","","90","","90","","20685","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C20 H16 N0.5 O8 Zr1.5 -","- C20 H10.5 N0.5 O8 Zr1.5 -","- C320 H168 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.087","0.0579","","","0.1262","0.1313","","","","","","1.002","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132913","17.7043","0.001","33.0203","0.0013","34.5937","0.0013","90","","90","","90","","20223.5","1.6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C21 H16 N0.5 O8 Zr1.5 -","- C21 H11 N0.5 O8 Zr1.5 -","- C336 H176 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0729","0.0476","","","0.1019","0.104","","","","","","1.075","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132914","19.073","0.003","32.404","0.004","34.125","0.005","90","","90","","90","","21091","5","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C25.25 H16.5 N0.5 O8 Zr1.5 -","- C25.25 H13.5 N0.5 O8 Zr1.5 -","- C404 H216 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.1411","0.0749","","","0.1627","0.1734","","","","","","1.013","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132915","22.7409","0.0008","30.7669","0.001","32.844","0.0012","90","","90","","90","","22979.9","1.4","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C96 H42 N2 O32 Zr6 -","- C96 H42 N2 O32 Zr6 -","- C384 H168 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0949","0.0712","","","0.2327","0.2529","","","","","","1.07","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132916","18.9651","0.0006","33.3385","0.0012","33.5366","0.0013","90","","90","","90","","21204.1","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C26.25 H16 N0.5 O8 Zr1.5 -","- C26.25 H14 N0.5 O8 Zr1.5 -","- C420 H224 N8 O128 Zr24 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0571","0.0414","","","0.104","0.1063","","","","","","1.143","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132917","23.203","0.002","31.023","0.004","33.332","0.003","90","","90","","90","","23993","4","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C102 H52 N2 O32 Zr6 -","- C102 H52 N2 O32 Zr6 -","- C408 H208 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54178","CuKα","","0.1651","0.12","","","0.3001","0.3285","","","","","","1.056","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132918","23.1736","0.0006","31.635","0.0009","32.1726","0.0009","90","","90","","90","","23585.6","1.1","150","2","150.02","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53 H27 N O16 Zr3 -","- C53 H27 N O16 Zr3 -","- C424 H216 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0824","0.0687","","","0.1987","0.2101","","","","","","1.088","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132919","23.215","0.0008","30.6351","0.0011","33.548","0.0008","90","","90","","90","","23859.1","1.3","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C109 H64 N2 O32 Zr6 -","- C109 H60 N2 O32 Zr6 -","- C436 H240 N8 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.1159","0.0787","","","0.2213","0.2429","","","","","","0.963","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132920","20.8534","0.0009","32.2081","0.0014","33.4473","0.0016","90","","90","","90","","22464.8","1.7","100","2","100","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C105 H54 N4 O32 Zr6 -","- C105 H54 N4 O32 Zr6 -","- C420 H216 N16 O128 Zr24 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.057","0.0484","","","0.1479","0.154","","","","","","1.111","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132921","21.4248","0.0007","31.7902","0.0011","33.5013","0.0011","90","","90","","90","","22817.7","1.3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C53.5 H30 N O16 Zr3 -","- C53.5 H28 N O16 Zr3 -","- C428 H224 N8 O128 Zr24 -","8","0.5","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0406","0.0332","","","0.0871","0.0881","","","","","","1.031","","","","has coordinates","242787","2020-10-21","18:00:00",""
"4132922","18.7781","0.001","35.2745","0.0008","16.0212","0.0003","90","","90","","90","","10612.3","0.6","173","2","173","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C10 H5.5 N0 O4.5 Zr0.75 -","- C10 H5.5 O4.5 Zr0.75 -","- C160 H88 O72 Zr12 -","16","1","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","","1.54184","CuKα","","0.0507","0.0452","","","0.1283","0.1308","","","","","","1.002","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132923","21.531","0.003","35.053","0.004","15.0898","0.0017","90","","90","","90","","11389","2","100","2","100","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C88 H44 O36 Zr6 -","- C88 H44 O36 Zr6 -","- C176 H88 O72 Zr12 -","2","0.125","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","0.71073","MoKα","","0.0941","0.0758","","","0.2164","0.2316","","","","","","1.052","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132924","23.1272","0.0007","34.0179","0.001","15.0243","0.0005","90","","90","","90","","11820.2","0.6","100","2","100.15","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H24 O18 Zr3 -","- C50 H24 O18 Zr3 -","- C200 H96 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.0829","0.0745","","","0.2034","0.2164","","","","","","1.087","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132925","23.1663","0.0006","34.0796","0.0008","14.9174","0.0004","90","","90","","90","","11777.3","0.5","100","2","100.01","","","","","","","","","4","C m m m","-C 2 2","65","","","","- C54 H30 O18 Zr3 -","- C54 H28 O18 Zr3 -","- C216 H112 O72 Zr12 -","4","0.25","","Pang, Jiandong; Yuan, Shuai; Qin, Junsheng; Wu, Mingyan; Lollar, Christina T.; Li, Jialuo; Huang, Ning; Li, Bao; Zhang, Peng; Zhou, Hong-Cai","Enhancing Pore-Environment Complexity Using a Trapezoidal Linker: Toward Stepwise Assembly of Multivariate Quinary Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","39","12328","12332","10.1021/jacs.8b07411","","x-ray","1.54184","CuKα","","0.08","0.0716","","","0.209","0.2177","","","","","","1.073","","","","has coordinates","242788","2020-10-21","18:00:00",""
"4132926","11.101","0.004","12.844","0.004","21.787","0.007","101.462","0.014","99.26","0.009","93.809","0.011","2989.2","1.7","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 O2 Zr -","- C71 H78 O2 Zr -","- C142 H156 O4 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.047","0.0396","","","0.099","0.103","","","","","","1.057","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132927","12.4092","0.0006","12.775","0.0008","20.5948","0.0017","93.281","0.003","103.293","0.004","99.373","0.003","3119.7","0.4","100","2","99.98","","","","","","","","","4","P -1","-P 1","2","","","","- C72.44 H93.74 O6.57 Zr -","- C72.437 H93.526 O6.563 Zr -","- C144.874 H187.052 O13.126 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0671","0.0423","","","0.0902","0.0986","","","","","","1.038","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132928","12.35","0.002","12.845","0.002","27.404","0.004","78.961","0.007","80.374","0.005","63.052","0.012","3787.4","1.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C92.42 H96.49 O3 Zr -","- C92.422 H96.493 O3 Zr -","- C184.844 H192.986 O6 Zr2 -","2","1","","Low, Choon Heng; Rosenberg, Jeffrey N.; Lopez, Marco A.; Agapie, Theodor","Oxidative Coupling with Zr(IV) Supported by a Noninnocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines.","Journal of the American Chemical Society","2018","140","38","11906","11910","10.1021/jacs.8b07418","","","0.71073","MoKα","","0.0749","0.0661","","","0.1712","0.1768","","","","","","1.147","","","","has coordinates,has disorder","242789","2020-10-21","18:00:00",""
"4132929","23.2475","0.0004","22.7475","0.0004","28.3112","0.0005","90","","91.6402","0.0007","90","","14965.5","0.5","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C140 H82 B3 Cl4 F72 Pd13 -","- C140 H82 B3 Cl4 F72 Pd13 -","- C560 H328 B12 Cl16 F288 Pd52 -","4","1","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.0646","0.0462","","","0.1275","0.1385","","","","","","1.099","","","","has coordinates","242790","2020-10-21","18:00:00",""
"4132930","23.2659","0.0007","18.4382","0.0005","24.9602","0.0007","90","","93.4714","0.0008","90","","10687.8","0.5","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C107 H64 B2 Cl2 F48 Pd13 -","- C106 H66 B2 F48 Pd13 -","- C424 H264 B8 F192 Pd52 -","4","0.5","","Teramoto, Masahiro; Iwata, Kosuke; Yamaura, Hiroshige; Kurashima, Kenta; Miyazawa, Koshi; Kurashige, Yuki; Yamamoto, Koji; Murahashi, Tetsuro","Three-Dimensional Sandwich Nanocubes Composed of 13-Atom Palladium Core and Hexakis-Carbocycle Shell.","Journal of the American Chemical Society","2018","140","40","12682","12686","10.1021/jacs.8b07430","","","0.71075","MoKα","","0.1213","0.0944","","","0.2439","0.2669","","","","","","1.117","","","","has coordinates","242791","2020-10-21","18:00:00",""
"4132931","5.5448","0.0011","10.37","0.002","37.244","0.008","90","","90","","90","","2141.5","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N4 O3 S -","- C19 H16 Br F3 N4 O3 S -","- C76 H64 Br4 F12 N16 O12 S4 -","4","1","","Fu, Liang; Zhou, Song; Wan, Xiaolong; Chen, Pinhong; Liu, Guosheng","Enantioselective Trifluoromethylalkynylation of Alkenes via Copper-Catalyzed Radical Relay.","Journal of the American Chemical Society","2018","140","35","10965","10969","10.1021/jacs.8b07436","","","0.71073","MoKα","","0.112","0.0586","","","0.1472","0.1749","","","","","","1.014","","","","has coordinates","242792","2020-10-21","18:00:00",""
"4132932","16.4682","0.0014","12.3313","0.001","12.8238","0.001","90","","92.629","0.004","90","","2601.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 Fe N6 O8 -","- C22 H24 Cl2 Fe N6 O8 -","- C88 H96 Cl8 Fe4 N24 O32 -","4","1","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","0.71073","MoKα","","0.0969","0.0579","","","0.1247","0.1385","","","","","","1.035","","","","has coordinates,has disorder","242793","2020-10-21","18:00:00",""
"4132933","13.3863","0.0003","17.7438","0.0004","40.7345","0.0013","90","","90","","90","","9675.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(SBPy3)Zn(tpena)](ClO4)6(H2O)3","","","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C336 H360 Cl24 Fe8 N80 O124 Zn8 -","8","2","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","1.54184","CuKα","","0.0819","0.0765","","","0.184","0.1885","","","","","","1.059","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132934","9.9843","0.0007","12.6207","0.0007","16.1903","0.0017","90","","90","","90","","2040.1","0.3","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Ga2 N2 O S7 Sb2 -","- C4 H18 Ga2 N2 O S7 Sb2 -","- C16 H72 Ga8 N8 O4 S28 Sb8 -","4","1","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.0652","0.0527","","","0.112","0.1182","","","","","","1.007","","","","has coordinates","242795","2020-10-21","18:00:00",""
"4132935","11.7107","0.0002","11.7107","0.0002","34.3827","0.0017","90","","90","","90","","4715.3","0.3","295","2","295","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H26 Ga2 N2 O S7 Sb2 -","- C8 H24 Ga2 N2 O S7 Sb2 -","- C64 H192 Ga16 N16 O8 S56 Sb16 -","8","0.5","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.1025","0.064","","","0.1264","0.1432","","","","","","1.01","","","","has coordinates,has disorder","242796","2020-10-21","18:00:00",""
"4132936","52.809","0.011","37.841","0.008","55.765","0.011","90","","107.03","0.03","90","","106551","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C840.6 H951.3 B264 Cd13 F6 N125.3 O56 Rh12 S2 -","- C816.6 H936.21 B276 Cd13 F6 N125.3 O56 Rh12 S2 -","- C3266.4 H3744.84 B1104 Cd52 F24 N501.2 O224 Rh48 S8 -","4","0.5","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","0.6889","Synchrotron","","0.1419","0.1161","","","0.3411","0.3745","","","","","","1.122","","","","has coordinates,has disorder","242797","2020-10-21","18:00:00",""
"4132937","37.6891","0.0015","37.6891","0.0015","37.6891","0.0015","90","","90","","90","","53536","4","180","2","180","2","","","","","","","","8","P n -3 :2","-P 2ab 2bc 3","201","","","","- C600 H396 Cd12 F72 N84 O120 Rh12 S24 -","- C576 H396 Cd12 N84 O48 Rh12 -","- C1152 H792 Cd24 N168 O96 Rh24 -","2","0.0833333","","Rizzuto, Felix J.; Ramsay, William J.; Nitschke, Jonathan R.","Otherwise Unstable Structures Self-Assemble in the Cavities of Cuboctahedral Coordination Cages.","Journal of the American Chemical Society","2018","140","36","11502","11509","10.1021/jacs.8b07494","","","1.54178","CuKα","","0.158","0.1231","","","0.3272","0.3559","","","","","","1.083","","","","has coordinates","242799","2020-10-21","18:00:00",""
"4132938","8.2945","0.0017","16.449","0.004","18.288","0.004","90","","90","","90","","2495.1","1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B N3 O3 S -","- C24 H34 B N3 O3 S -","- C96 H136 B4 N12 O12 S4 -","4","1","","Hayama, Noboru; Kuramoto, Ryuta; Földes, Tamás; Nishibayashi, Kazuya; Kobayashi, Yusuke; Pápai, Imre; Takemoto, Yoshiji","Mechanistic Insight into Asymmetric Hetero-Michael Addition of α,β-Unsaturated Carboxylic Acids Catalyzed by Multifunctional Thioureas.","Journal of the American Chemical Society","2018","140","38","12216","12225","10.1021/jacs.8b07511","","","1.54187","CuKα","","","0.0431","","","","0.1051","","","","","","2.021","","","","has coordinates","242801","2020-10-21","18:00:00",""
"4132939","19.161","0.003","34.02","0.005","14.927","0.002","90","","90","","90","","9730","2","230","","230","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 Mo6 O64.5 -","- C48 H56 Mo6 O64.5 -","- C192 H224 Mo24 O258 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","x-ray","0.71073","MoKα","","0.045","0.0401","","","0.1111","0.1144","","","","","","1.043","","","","has coordinates","242802","2020-10-21","18:00:00",""
"4132940","19.19","0.002","33.973","0.004","14.9308","0.0018","90","","90","","90","","9734","1.9","200","2","200","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H56 O72.5 W6 -","- C48 H56 O72.5 W6 -","- C192 H224 O290 W24 -","4","1","","Falaise, Clément; Moussawi, Mhamad Aly; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim N.; Haouas, Mohamed; Cadot, Emmanuel","Probing Dynamic Library of Metal-Oxo Building Blocks with γ-Cyclodextrin.","Journal of the American Chemical Society","2018","140","36","11198","11201","10.1021/jacs.8b07525","","","0.71073","MoKα","","0.0387","0.0351","","","0.084","0.0863","","","","","","1.046","","","","has coordinates","242803","2020-10-21","18:00:00",""
"4132941","10.2116","0.0003","17.9533","0.0005","10.9656","0.0004","90","","110.432","0.004","90","","1883.87","0.11","105","7","105","7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C88 H64 Br4 Cl4 O8 -","4","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0596","0.0487","","","0.1189","0.1239","","","","","","1.034","","","","has coordinates,has disorder","242804","2020-10-21","18:00:00",""
"4132942","8.9198","0.0001","14.4186","0.0001","29.7333","0.0002","90","","90","","90","","3824.03","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S)-1-(5-bromo-2-chlorophenyl)-2,2-diphenylcyclopropanecarboxylic acid","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C176 H128 Br8 Cl8 O16 -","8","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0253","0.0242","","","0.0618","0.0621","","","","","","1.057","","","","has coordinates,has disorder","242805","2020-10-21","18:00:00",""
"4132943","25.1525","0.0004","5.53398","0.00004","27.2474","0.0004","90","","117.465","0.0019","90","","3365.19","0.1","100","2","100","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C34 H42 F6 O4 -","- C34 H42 F6 O4 -","- C136 H168 F24 O16 -","4","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0412","0.0363","","","0.0853","0.0885","","","","","","0.985","","","","has coordinates","242806","2020-10-21","18:00:00",""
"4132944","21.469","0.0003","17.1974","0.0003","29.1637","0.0004","90","","106.965","0.002","90","","10299","0.3","100.3","0.5","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C182 H131 Br8 Cl8 N3 O17 Rh4 -","- C364 H262 Br16 Cl16 N6 O34 Rh8 -","2","1","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0935","0.0813","","","0.2229","0.2353","","","","","","1.079","","","","has coordinates,has disorder","242807","2020-10-21","18:00:00",""
"4132945","20.4695","0.0006","20.4695","0.0006","19.2209","0.0008","90","","90","","90","","8053.6","0.5","100","2","100","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C88 H64 Br4 Cl4 O10 Rh2 -","- C88 H60 Br4 Cl4 O8 Rh2 -","- C352 H240 Br16 Cl16 O32 Rh8 -","4","0.5","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","0.71073","MoKα","","0.0938","0.0611","","","0.1166","0.1273","","","","","","1.027","","","","has coordinates","242808","2020-10-21","18:00:00",""
"4132946","12.2343","0.0005","21.2749","0.0008","13.2088","0.0005","90","","104.038","0.001","90","","3335.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Fe N3 O2 -","- C36 H48 Fe N3 O2 -","- C144 H192 Fe4 N12 O8 -","4","1","","Rummelt, Stephan M.; Zhong, Hongyu; Korobkov, Ilia; Chirik, Paul J.","Iron-Mediated Coupling of Carbon Dioxide and Ethylene: Macrocyclic Metallalactones Enable Access to Various Carboxylates.","Journal of the American Chemical Society","2018","140","37","11589","11593","10.1021/jacs.8b07558","","","0.71073","MoKα","","0.0556","0.0439","","","0.1111","0.1233","","","","","","1.08","","","","has coordinates","242809","2020-10-21","18:00:00",""
"4132947","5.761","0.0007","11.0868","0.0013","14.5326","0.0013","90","","94.069","0.007","90","","925.87","0.18","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.83 H12 Cu D2.48 N2 O4 -","- C20.8264 H12 Cu D2.4792 N2 O4 -","- C41.6528 H24 Cu2 D4.9584 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09475","","1.07","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132948","5.8065","0.0007","11.1456","0.0011","14.5188","0.0011","90","","94.423","0.007","90","","936.81","0.16","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.33 H12 Cu D3.99 N2 O4 -","- C21.3316 H12 Cu D3.9948 N2 O4 -","- C42.6632 H24 Cu2 D7.9896 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09004","","1.06","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132949","5.6951","0.0005","10.9729","0.0013","14.5655","0.0012","90","","93.64","0.007","90","","908.39","0.15","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.31 H12 Cu D0.62 N2 O4 -","- C20.308 H12 Cu D0.616 N2 O4 -","- C40.616 H24 Cu2 D1.232 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.07449","","0.99","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132950","5.6674","0.0005","10.9072","0.0012","14.5876","0.0011","90","","93.491","0.007","90","","900.07","0.14","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cu N2 O4 -","- C20 H12 Cu N2 O4 -","- C40 H24 Cu2 N4 O8 -","2","0.5","","Lin, Rui-Biao; Wu, Hui; Li, Libo; Tang, Xiao-Liang; Li, Zhiqiang; Gao, Junkuo; Cui, Hui; Zhou, Wei; Chen, Banglin","Boosting Ethane/Ethylene Separation within Isoreticular Ultramicroporous Metal-Organic Frameworks.","Journal of the American Chemical Society","2018","140","40","12940","12946","10.1021/jacs.8b07563","powder diffraction","neutron","2.0774","","","","","","","","","0.09172","","1","","","","","","","has coordinates","242810","2020-10-21","18:00:00",""
"4132951","12.296","0.002","14.074","0.003","23.151","0.004","101.373","0.002","90.809","0.002","110.821","0.002","3655.7","1.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 Co2 N5 O23 Zn2 -","- C71 H73 Co2 N5 O23 Zn2 -","- C142 H146 Co4 N10 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.0876","0.064","","","0.1638","0.1877","","","","","","1.063","","","","has coordinates","242811","2020-10-21","18:00:00",""
"4132952","12.27","0.003","14.116","0.004","23.055","0.006","101.594","0.005","90.371","0.004","110.5","0.003","3651.1","1.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H79 N5 Ni2 O23 Zn2 -","- C71 H73 N5 Ni2 O23 Zn2 -","- C142 H146 N10 Ni4 O46 Zn4 -","2","1","","Rao, Koya Prabhakara; Higuchi, Masakazu; Suryachandram, Jettiboina; Kitagawa, Susumu","Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method.","Journal of the American Chemical Society","2018","140","42","13786","13792","10.1021/jacs.8b07577","","","0.71073","MoKα","","0.1674","0.1063","","","0.2275","0.2647","","","","","","1.162","","","","has coordinates","242812","2020-10-21","18:00:00",""
"4132953","12.911","0.003","13.862","0.003","13.052","0.003","90","","112.921","0.002","90","","2151.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu2 N3 O7 -","- C16 H19 Cu2 N3 O7 -","- C64 H76 Cu8 N12 O28 -","4","1","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.1264","0.1242","","","0.3139","0.3152","","","","","","1.149","","","","has coordinates","242813","2020-10-21","18:00:00",""
"4132954","11.684","0.001","12.866","0.0012","14.0116","0.0012","90","","90","","90","","2106.3","0.3","296","2","296","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C24 H16 Cl4 Cu5 N4 O9 -","- C24 H16 Cl4 Cu5 N4 O9 -","- C48 H32 Cl8 Cu10 N8 O18 -","2","0.25","","Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng","Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO<sub>2</sub> Capture.","Journal of the American Chemical Society","2018","140","51","17825","17829","10.1021/jacs.8b07589","","","0.71073","MoKα","","0.0161","0.0157","","","0.0447","0.0453","","","","","","1.096","","","","has coordinates","242814","2020-10-21","18:00:00",""
"4132955","8.2576","0.0004","22.2625","0.001","17.3321","0.001","90","","90.025","0.004","90","","3186.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C144 H128 N16 O32 -","8","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1151","0.0744","","","0.1983","0.2287","","","","","","1.019","","","","has coordinates","242815","2020-10-21","18:00:00",""
"4132956","10.4958","0.0017","9.1991","0.0015","19.482","0.003","90","","97.6635","0.0019","90","","1864.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0635","0.05","","","0.1325","0.1477","","","","","","1.064","","","","has coordinates","242816","2020-10-21","18:00:00",""
"4132957","8.5136","0.0008","10.2478","0.001","17.2085","0.0017","90","","90.122","0.001","90","","1501.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0545","0.0404","","","0.1019","0.1133","","","","","","1.043","","","","has coordinates","242817","2020-10-21","18:00:00",""
"4132958","11.1866","0.0003","21.5051","0.0005","33.2328","0.0008","90","","90","","90","","7994.8","0.3","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C352 H384 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","","","","0.122","","","","","","","","","","","","","","","has coordinates","242818","2020-10-21","18:00:00",""
"4132959","10.6043","0.0003","21.8901","0.0007","32.5434","0.0008","90","","90","","90","","7554.3","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C336 H352 N32 O64 -","16","2","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.1536","0.0676","","","0.1474","0.1894","","","","","","0.996","","","","has coordinates","242819","2020-10-21","18:00:00",""
"4132960","9.4897","0.0015","9.7609","0.0015","11.1738","0.0017","104.546","0.002","101.764","0.002","96.889","0.002","964.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0844","0.0465","","","0.1072","0.1272","","","","","","1.032","","","","has coordinates","242820","2020-10-21","18:00:00",""
"4132961","12.418","0.006","8.669","0.004","16.915","0.008","90","","105.261","0.005","90","","1756.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.0563","0.0426","","","0.1095","0.1224","","","","","","1.036","","","","has coordinates","242821","2020-10-21","18:00:00",""
"4132962","18.041","0.003","8.9247","0.0017","21.595","0.004","90","","90","","90","","3477","1.1","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","0.71073","MoKα","","0.1091","0.0577","","","0.1367","0.1657","","","","","","1.016","","","","has coordinates,has disorder","242822","2020-10-21","18:00:00",""
"4132963","15.4635","0.0004","4.98269","0.00012","23.2124","0.0006","90","","103.774","0.003","90","","1737.08","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","x-ray","1.54184","CuKα","","0.0914","0.0699","","","0.175","0.1932","","","","","","1.03","","","","has coordinates,has disorder","242823","2020-10-21","18:00:00",""
"4132964","11.122","0.0001","11.03","0.0001","16.3913","0.0002","90","","102.894","0.0005","90","","1960.11","0.03","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0457","0.0404","","","0.103","0.1073","","","","","","1.044","","","","has coordinates","242824","2020-10-21","18:00:00",""
"4132965","21.8904","0.0004","22.987","0.0004","6.9137","0.0001","90","","90","","90","","3478.94","0.1","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C19.25 H18.75 N2 O4.125 -","- C19.25 H18.75 N2 O4.125 -","- C154 H150 N16 O33 -","8","1","","Li, Quan; Qian, Hai; Shao, Baihao; Hughes, Russell P.; Aprahamian, Ivan","Building Strain with Large Macrocycles and Using It To Tune the Thermal Half-Lives of Hydrazone Photochromes.","Journal of the American Chemical Society","2018","140","37","11829","11835","10.1021/jacs.8b07612","","","1.54178","CuKα","","0.0679","0.0552","","","0.1633","0.1734","","","","","","1.084","","","","has coordinates","242825","2020-10-21","18:00:00",""
"4132966","9.7573","0.0007","11.8897","0.0008","16.0751","0.0011","82.4","0.002","79.506","0.003","81.035","0.002","1800.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.44 H28 Cl1.34 D0.44 F3 N O4 -","- C46.4468 H28 Cl1.3404 D0.4468 F3 N O4 -","- C92.8936 H56 Cl2.6808 D0.8936 F6 N2 O8 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0565","0.0485","","","0.1213","0.126","","","","","","1.064","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132967","10.015","0.0005","11.8686","0.0005","16.0169","0.0008","85.793","0.002","82.542","0.002","81.689","0.002","1865.01","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C49 H28 Br0.5 D2.5 F3 N O3 S -","- C98 H56 Br D5 F6 N2 O6 S2 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0649","0.0453","","","0.0986","0.1069","","","","","","1.034","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132968","11.3616","0.0011","11.9741","0.0011","16.8141","0.0015","110.535","0.003","97.936","0.003","94.658","0.003","2100.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl2 N O3 S2 -","- C53 H37 Cl2 N O3 S2 -","- C106 H74 Cl4 N2 O6 S4 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0525","0.0444","","","0.1052","0.1102","","","","","","1.024","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132969","11.3098","0.001","18.9055","0.0013","19.3753","0.0015","90","","100.184","0.003","90","","4077.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H33 N O4 S2 -","- C44 H33 N O4 S2 -","- C176 H132 N4 O16 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0681","0.0637","","","0.1449","0.1468","","","","","","1.233","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132970","11.0741","0.0008","18.618","0.0011","19.0103","0.0013","90","","94.754","0.002","90","","3906","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H33 N O3 S2 -","- C53 H33 N O3 S2 -","- C212 H132 N4 O12 S8 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0472","0.0407","","","0.0925","0.0959","","","","","","1.061","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132971","36.371","0.003","36.371","0.003","9.5002","0.0006","90","","90","","120","","10883.6","1.4","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C33 H23 N O2 S -","- C33 H23 N O2 S -","- C594 H414 N18 O36 S18 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0726","0.0576","","","0.1355","0.1432","","","","","","1.072","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132972","36.213","0.002","36.213","0.002","9.4339","0.0006","90","","90","","120","","10714","1.1","100","2","100","2","","","","","","","","4","P -3","-P 3","147","","","","- C33 H23 N O3 -","- C33 H23 N O3 -","- C594 H414 N18 O54 -","18","3","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.1172","0.0691","","","0.1514","0.1721","","","","","","1.053","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132973","10.8932","0.0006","11.5571","0.0006","17.0474","0.0009","78.371","0.001","72.486","0.001","63.695","0.001","1828.89","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H33 N O5 -","- C53 H33 N O5 -","- C106 H66 N2 O10 -","2","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","","0.71073","MoKα","","0.0497","0.0413","","","0.1","0.1053","","","","","","1.021","","","","has coordinates","242826","2020-10-21","18:00:00",""
"4132974","15.8387","0.0008","24.154","0.0012","10.684","0.0005","90","","102.962","0.002","90","","3983.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.81 H30.81 Cl5.44 N O5 -","- C44.8126 H30.8126 Cl5.4378 N O5 -","- C179.25 H123.25 Cl21.7512 N4 O20 -","4","1","","Hwang, Jungwun; Li, Ping; Smith, Mark D.; Warden, Constance E.; Sirianni, Dominic A.; Vik, Erik C.; Maier, Josef M.; Yehl, Christopher J.; Sherrill, C. David; Shimizu, Ken D.","Tipping the Balance between S-π and O-π Interactions.","Journal of the American Chemical Society","2018","140","41","13301","13307","10.1021/jacs.8b07617","","x-ray","0.71073","MoKα","","0.0458","0.0402","","","0.0934","0.097","","","","","","1.037","","","","has coordinates,has disorder","242826","2020-10-21","18:00:00",""
"4132975","9.9146","0.0006","17.8444","0.0012","12.4027","0.0008","90","","109.094","0.001","90","","2073.6","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(PEt3)Ni(mu2-O,O-tBuCOO)2]2","","- C32 H66 Ni2 O8 P2 -","- C32 H66 Ni2 O8 P2 -","- C64 H132 Ni4 O16 P4 -","2","0.5","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.0375","0.0256","","","0.0599","0.063","","","","","","1.008","","","","has coordinates,has disorder","242827","2020-10-21","18:00:00",""
"4132976","10.7609","0.0005","16.9421","0.0007","28.0175","0.0013","90","","99.602","0.001","90","","5036.4","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H38 N3 Ni O P -","- C26.5 H38 N3 Ni O P -","- C212 H304 N24 Ni8 O8 P8 -","8","2","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","x-ray","0.71073","MoKα","","0.079","0.0532","","","0.0954","0.1062","","","","","","1.103","","","","has coordinates","242828","2020-10-21","18:00:00",""
"4132977","27.062","0.002","27.062","0.002","10.3516","0.0011","90","","90","","120","","6565.4","1","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","(Cy)(Me)N(C=O)N(H)(quinolin-8-yl)","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C306 H378 N54 O18 -","18","1","","Beattie, D. Dawson; Grunwald, Anna C.; Perse, Thibaut; Schafer, Laurel L.; Love, Jennifer A.","Understanding Ni(II)-Mediated C(sp<sup>3</sup>)-H Activation: Tertiary Ureas as Model Substrates.","Journal of the American Chemical Society","2018","140","39","12602","12610","10.1021/jacs.8b07708","","","0.71073","MoKα","","0.045","0.0355","","","0.0867","0.0901","","","","","","1.043","","","","has coordinates","242829","2020-10-21","18:00:00",""
"4132978","39.581","0.006","8.9068","0.0018","8.9084","0.0013","90","","90.047","","90","","3140.6","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H30 I7 N3 Pb2 -","- C10 H30 I7 N3 Pb2 -","- C40 H120 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1168","0.0577","","","0.091","0.0981","","","","1.94","1.94","1.53","","","","has coordinates","242830","2020-10-21","18:00:00",""
"4132979","26.918","0.003","8.7853","0.0007","8.7627","0.0009","90","","92.835","0.009","90","","2069.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H24 I4 N2 Pb -","- C9 H24 I4 N2 Pb -","- C36 H96 I16 N8 Pb4 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.0434","0.0367","","","0.0721","0.0729","","","","2.17","2.17","2.07","","","","has coordinates","242831","2020-10-21","18:00:00",""
"4132980","38.089","0.005","8.9053","0.0018","8.9109","0.0013","90","","90","0.012","90","","3022.5","0.9","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H28 I7 N3 Pb2 -","- C9 H28 I7 N3 Pb2 -","- C36 H112 I28 N12 Pb8 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1536","0.0647","","","0.1187","0.1267","","","","2.06","2.06","1.41","","","","has coordinates","242832","2020-10-21","18:00:00",""
"4132981","25.686","0.005","8.9106","0.0013","8.9159","0.0013","90","","100.024","0.0015","90","","2009.5","0.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I10 N4 Pb3 -","- C10 H34 I10 N4 Pb3 -","- C20 H68 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1204","0.0836","","","0.165","0.1705","","","","3.71","3.71","2.98","","","","has coordinates","242833","2020-10-21","18:00:00",""
"4132982","26.4807","0.0009","8.915","0.007","8.9145","0.0008","90","","99.6902","","90","","2074.5","1.6","293","","293","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H36 I10 N4 Pb3 -","- C11 H36 I10 N4 Pb3 -","- C22 H72 I20 N8 Pb6 -","2","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.081","0.048","","","0.0854","0.0904","","","","1.97","1.97","1.66","","","","has coordinates","242834","2020-10-21","18:00:00",""
"4132983","63.186","0.006","8.9126","0.0005","8.9043","0.0008","90","","90.015","0.008","90","","5014.5","0.7","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H40 I13 N5 Pb4 -","- C11 H40 I13 N5 Pb4 -","- C44 H160 I52 N20 Pb16 -","4","1","","Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH<sub>3</sub>C <sub>m</sub>H<sub>2 m</sub>NH<sub>3</sub>)(CH<sub>3</sub>NH<sub>3</sub>) <sub>n-1</sub>Pb <sub>n</sub>I<sub>3 n+1</sub> ( m = 4-9; n = 1-4).","Journal of the American Chemical Society","2018","140","38","12226","12238","10.1021/jacs.8b07712","","x-ray","0.71073","MoKα","","0.1995","0.1224","","","0.2598","0.2744","","","","5.39","5.39","3.8","","","","has coordinates","242835","2020-10-21","18:00:00",""
"4132984","20.1544","0.0003","17.4378","0.0003","8.4225","0.0001","90","","98.0107","0.0008","90","","2931.19","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B2 Br Co N9 -","- C31 H29 B2 Br Co N9 -","- C124 H116 B8 Br4 Co4 N36 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0378","0.0332","","","0.0895","0.0927","","","","","","0.964","","","","has coordinates","242836","2020-10-21","18:00:00",""
"4132985","17.3684","0.0003","32.2134","0.0005","17.9799","0.0003","90","","92.556","0.001","90","","10049.7","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 B2 Co F6 N10 O5 S2 -","- C33 H31 B2 Co F6 N10 O5 S2 -","- C264 H248 B16 Co8 F48 N80 O40 S16 -","8","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.051","0.0434","","","0.1124","0.1161","","","","","","0.976","","","","has coordinates,has disorder","242837","2020-10-21","18:00:00",""
"4132986","8.1792","0.0011","19.504","0.003","18.065","0.003","90","","90","","90","","2881.9","0.8","174","2","174","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 Co N9 -","- C31 H29 B2 Co N9 -","- C124 H116 B8 Co4 N36 -","4","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0414","0.037","","","0.0993","0.1035","","","","","","1.164","","","","has coordinates","242838","2020-10-21","18:00:00",""
"4132987","12.8849","0.0002","18.1277","0.0003","15.838","0.0003","90","","90.622","0.001","90","","3699.12","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 B4 Li2 N18 -","- C62 H58 B4 Li4 N18 -","- C124 H116 B8 Li8 N36 -","2","0.5","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1149","0.0903","","","0.2724","0.3038","","","","","","1.046","","","","has coordinates,has disorder","242839","2020-10-21","18:00:00",""
"4132988","13.6686","0.0008","15.0534","0.0008","18.3053","0.001","89.947","0.004","77.865","0.003","86.508","0.003","3675.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H58 B4 Co2 N18 O2 -","- C62 H58 B4 Co2 N18 O2 -","- C124 H116 B8 Co4 N36 O4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0783","0.0608","","","0.1576","0.1771","","","","","","1.045","","","","has coordinates","242840","2020-10-21","18:00:00",""
"4132989","23.5774","0.0017","14.5959","0.0008","41.157","0.003","90","","90","","90","","14163.5","1.6","173","","173","","","","","","","","","9","P n a 21","P 2c -2n","33","","","","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C144 H128 B4 Co2 F12 N20 O14 P4 S4 -","- C576 H512 B16 Co8 F48 N80 O56 P16 S16 -","4","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.1209","0.0872","","","0.2276","0.2676","","","","","","0.979","","","","has coordinates,has disorder","242841","2020-10-21","18:00:00",""
"4132990","11.8764","0.0002","12.0398","0.0002","21.6388","0.0004","82.92","0.001","88.996","0.001","75.524","0.001","2972.76","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C55 H77 B2 Br2 Co Li2 N9 O6 -","- C110 H154 B4 Br4 Co2 Li4 N18 O12 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","1.54178","CuKα","","0.0449","0.0434","","","0.1249","0.1265","","","","","","1.048","","","","has coordinates","242842","2020-10-21","18:00:00",""
"4132991","11.4399","0.0008","12.8145","0.0007","15.6046","0.0011","66.021","0.004","70.673","0.003","82.425","0.004","1972.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H29 B2 Co F6 N10 O4 S2 -","- C33 H29 B2 Co F6 N10 O4 S2 -","- C66 H58 B4 Co2 F12 N20 O8 S4 -","2","1","","Nurdin, Lucie; Spasyuk, Denis M.; Fairburn, Laura; Piers, Warren E.; Maron, Laurent","Oxygen-Oxygen Bond Cleavage and Formation in Co(II)-Mediated Stoichiometric O<sub>2</sub> Reduction via the Potential Intermediacy of a Co(IV) Oxyl Radical.","Journal of the American Chemical Society","2018","140","47","16094","16105","10.1021/jacs.8b07726","","","0.71073","MoKα","","0.1112","0.0793","","","0.1468","0.1604","","","","","","1.068","","","","has coordinates","242843","2020-10-21","18:00:00",""
"4132992","7.9741","0.0006","12.0163","0.0009","14.0689","0.0011","76.587","0.001","77.576","0.001","80.26","0.001","1270.46","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(5-fp)RhTFA","","","- C24 H18 F3 N4 O2 Rh -","- C24 H18 F3 N4 O2 Rh -","- C48 H36 F6 N8 O4 Rh2 -","2","1","","Chen, Junqi; Nielsen, Robert J.; Goddard, 3rd, William A; McKeown, Bradley A.; Dickie, Diane A.; Gunnoe, T. Brent","Catalytic Synthesis of Superlinear Alkenyl Arenes Using a Rh(I) Catalyst Supported by a ""Capping Arene"" Ligand: Access to Aerobic Catalysis.","Journal of the American Chemical Society","2018","140","49","17007","17018","10.1021/jacs.8b07728","","","0.71073","MoKα","","0.0514","0.0377","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","242844","2020-10-21","18:00:00",""
"4132993","14.8756","0.0005","17.3356","0.0005","18.8823","0.0005","84.622","0.002","73.131","0.003","77.478","0.002","4546.5","0.2","105","","105","","","","","","","","","5","P -1","-P 1","2","","PyPbCl_HCN","","- C65 H143 Cl15 N8 Pb4 -","- C65 H143 Cl15 N8 Pb4 -","- C130 H286 Cl30 N16 Pb8 -","2","1","","Zhou, Chenkun; Lin, Haoran; Worku, Michael; Neu, Jennifer; Zhou, Yan; Tian, Yu; Lee, Sujin; Djurovich, Peter; Siegrist, Theo; Ma, Biwu","Blue Emitting Single Crystalline Assembly of Metal Halide Clusters.","Journal of the American Chemical Society","2018","140","41","13181","13184","10.1021/jacs.8b07731","","","0.71073","MoKα","","0.0832","0.07","","0.1952","0.1752","0.1817","","","","","","0.9946","","","","has coordinates","242845","2020-10-21","18:00:00",""
"4132994","10.049","0.004","15.976","0.007","18.86","0.008","90","","90","","90","","3028","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F6 Mn N5 O8 S2 -","- C25 H22 F6 Mn N5 O8 S2 -","- C100 H88 F24 Mn4 N20 O32 S8 -","4","1","","Sankaralingam, Muniyandi; Lee, Yong-Min; Karmalkar, Deepika G.; Nam, Wonwoo; Fukuzumi, Shunichi","A Mononuclear Non-heme Manganese(III)-Aqua Complex as a New Active Oxidant in Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2018","140","40","12695","12699","10.1021/jacs.8b07772","","","0.71073","MoKα","","0.0366","0.032","","","0.0697","0.0716","","","","","","1.027","","","","has coordinates","242846","2020-10-21","18:00:00",""
"4132995","42.0383","0.0012","42.0383","0.0012","42.3916","0.0014","90","","90","","120","","64878","3","100","2","100","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Mn24 O96 -","- C288 H312 Mn24 O96 -","- C1728 H1872 Mn144 O576 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","","1.54178","CuKα","","0.1634","0.1393","","","0.3894","0.458","","","","","","2.179","","","","has coordinates,has disorder","242847","2020-10-21","18:00:00",""
"4132996","42.319","0.0008","42.319","0.0008","43.0661","0.0013","90","","90","","120","","66794","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C288 H312 Cl8 Mn24 O102 -","- C288 H312 Cl8 Mn24 O102 -","- C1728 H1872 Cl48 Mn144 O612 -","6","0.166667","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Barnes, Charles L.; Atwood, Jerry L.","Oxidation State Distributions Provide Insight into Parameters Directing the Assembly of Metal-Organic Nanocapsules.","Journal of the American Chemical Society","2018","140","40","13022","13027","10.1021/jacs.8b07775","","x-ray","1.54178","CuKα","","0.2219","0.1329","","","0.348","0.4024","","","","","","1.238","","","","has coordinates","242848","2020-10-21","18:00:00",""
"4132997","14.594","0.004","15.377","0.004","15.584","0.004","93.674","0.001","117.541","0.001","117.376","0.003","2578","1.2","173.15","","173.15","","","","","","","","","3","P -1","-P 1","2","","","","- C104 H70 N12 -","- C104 H70 N12 -","- C104 H70 N12 -","1","0.5","","Tang, Jian-Hong; Cai, Zhenfeng; Yan, Dong; Tang, Kun; Shao, Jiang-Yang; Zhan, Chuanlang; Wang, Dong; Zhong, Yu-Wu; Wan, Li-Jun; Yao, Jiannian","Molecular Quadripod as a Noncovalent Interfacial Coupling Reagent for Forming Immobilized Coordination Assemblies.","Journal of the American Chemical Society","2018","140","39","12337","12340","10.1021/jacs.8b07777","","","0.71073","MoKα","","0.1201","0.1058","","","0.2978","0.3107","","","","","","1.141","","","","has coordinates","242849","2020-10-21","18:00:00",""
"4132998","6.587","0.002","9.123","0.003","11.052","0.004","76.48","0.03","77.86","0.03","74.261","0.019","613.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 Se2 -","- C9 H17 B N2 Se2 -","- C18 H34 B2 N4 Se4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0241","0.0217","","","0.0551","0.0563","","","","","","1.057","","","","has coordinates","242850","2020-10-21","18:00:00",""
"4132999","9.051","0.0013","9.9167","0.0012","21.724","0.004","90","","90.139","0.007","90","","1949.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B Mn N2 O2 Te2 -","- C16 H22 B Mn N2 O2 Te2 -","- C64 H88 B4 Mn4 N8 O8 Te8 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0168","0.0166","","","0.0382","0.0383","","","","","","1.197","","","","has coordinates","242851","2020-10-21","18:00:00",""
"4133000","12.364","0.003","7.522","0.003","12.85","0.003","90","","109.438","0.01","90","","1127","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 S -","- C9 H17 B N2 S -","- C36 H68 B4 N8 S4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0459","0.0394","","","0.1053","0.1105","","","","","","1.056","","","","has coordinates","242853","2020-10-21","18:00:00",""
"4133001","8.085","0.002","8.208","0.003","9.845","0.003","108.77","0.02","100.22","0.02","108.1","0.02","559.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","- C18 H34 B2 N4 Se2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0549","0.0526","","","0.1699","0.1708","","","","","","1.483","","","","has coordinates","242854","2020-10-21","18:00:00",""
"4133002","12.404","0.007","7.679","0.004","12.8","0.007","90","","108.23","0.04","90","","1158","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 B N2 Se -","- C9 H17 B N2 Se -","- C36 H68 B4 N8 Se4 -","4","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0559","0.037","","","0.081","0.0877","","","","","","1.031","","","","has coordinates","242855","2020-10-21","18:00:00",""
"4133003","8.0243","0.002","8.053","0.003","9.721","0.004","105.103","0.009","104.95","0.02","106.457","0.018","543","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","- C18 H34 B2 N4 S2 -","1","0.5","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0431","0.0387","","","0.0904","0.0928","","","","","","1.173","","","","has coordinates","242856","2020-10-21","18:00:00",""
"4133004","6.4382","0.002","9.07","0.003","10.891","0.003","75.737","0.008","77.099","0.008","74.734","0.019","586","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 B N2 S2 -","- C9 H17 B N2 S2 -","- C18 H34 B2 N4 S4 -","2","1","","Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger","A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.","Journal of the American Chemical Society","2018","140","36","11223","11226","10.1021/jacs.8b07829","","","0.71073","MoKα","","0.0306","0.0275","","","0.0664","0.0681","","","","","","1.069","","","","has coordinates","242857","2020-10-21","18:00:00",""
"4133005","26.4448","0.0019","26.4448","0.0019","34.036","0.003","90","","90","","90","","23802","3","150","2","150","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C187 H633 Br12 Gd60 N15 O399 -","- C32 H36 Br12 Gd60 O224 -","- C64 H72 Br24 Gd120 O448 -","2","0.125","","Luo, Xi-Ming; Hu, Zhao-Bo; Lin, Qing-Fang; Cheng, Weiwei; Cao, Jia-Peng; Cui, Chen-Hui; Mei, Hua; Song, You; Xu, Yan","Exploring the Performance Improvement of Magnetocaloric Effect Based Gd-Exclusive Cluster Gd<sub>60</sub>.","Journal of the American Chemical Society","2018","140","36","11219","11222","10.1021/jacs.8b07841","","","0.71073","MoKα","","0.1625","0.098","","","0.2788","0.3201","","","","","","1.108","","","","has coordinates,has disorder","242858","2020-10-21","18:00:00",""
"4133006","11.9001","0.0005","12.2874","0.0006","15.746","0.0007","68.156","0.003","80.248","0.003","72.507","0.003","2033.95","0.17","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 B11 N O2 -","- C40 H52 B11 N O2 -","- C80 H104 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.1179","0.073","","","0.1909","0.2215","","","","","","1.042","","","","has coordinates","242859","2020-10-21","18:00:00",""
"4133007","8.7528","0.0001","9.9635","0.0002","24.541","0.0004","90","","96.176","0.001","90","","2127.76","0.06","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B11 N3 O2 Pd -","- C9 H26 B11 N3 O2 Pd -","- C36 H104 B44 N12 O8 Pd4 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0357","0.0322","","","0.0849","0.0876","","","","","","1.087","","","","has coordinates","242860","2020-10-21","18:00:00",""
"4133008","18.1297","0.0009","12.7407","0.0006","23.8742","0.0013","90","","106.874","0.005","90","","5277.2","0.5","120.2","","120.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.09 H76.48 B11 N O4 -","- C52.1 H76.5 B11 N O4 -","- C208.4 H306 B44 N4 O16 -","4","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1069","0.0735","","","0.1872","0.2167","","","","","","1.034","","","","has coordinates,has disorder","242861","2020-10-21","18:00:00",""
"4133009","14.629","0.0005","14.9866","0.0005","22.4078","0.0007","90","","90","","90","","4912.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H86 B22 Cl22 N2 -","- C79 H86 B22 Cl22 N2 -","- C158 H172 B44 Cl44 N4 -","2","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0712","0.0609","","","0.16","0.1712","","","","","","1.062","","","","has coordinates,has disorder","242862","2020-10-21","18:00:00",""
"4133010","7.236","0.0003","26.5714","0.0013","26.8768","0.0009","90","","90","","90","","5167.6","0.4","137.1","","137.1","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C45 H59 B11 Br5 N O2 -","- C45 H59 B11 Br5 N O2 -","- C180 H236 B44 Br20 N4 O8 -","4","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0998","0.0835","","","0.1537","0.16","","","","","","1.184","","","","has coordinates,has disorder","242863","2020-10-21","18:00:00",""
"4133011","11.4673","0.0002","16.6842","0.0003","12.3236","0.0002","90","","110.724","0.001","90","","2205.23","0.07","170","2","170.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H62 B11 N O2 -","- C45 H62 B11 N O2 -","- C90 H124 B22 N2 O4 -","2","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","1.34139","GaKα","","0.0433","0.0425","","","0.1108","0.1119","","","","","","1.053","","","","has coordinates","242864","2020-10-21","18:00:00",""
"4133012","23.6242","0.0015","19.1081","0.0009","22.3852","0.001","90","","90","","90","","10105","0.9","293","2","293.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C46 H64 B11 N O7 -","- C46 H64 B11 N O7 -","- C368 H512 B88 N8 O56 -","8","1","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.1287","0.0796","","","0.2146","0.2654","","","","","","1.043","","","","has coordinates,has disorder","242865","2020-10-21","18:00:00",""
"4133013","6.9848","0.0008","14.498","0.001","8.2571","0.0007","90","","90","","90","","836.16","0.13","100","0.1","100","0.1","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- C16 H15 N3 O6 U -","- C16 H14.5 N3 O6 U -","- C32 H29 N6 O12 U2 -","2","0.25","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.1024","0.1015","","","0.2511","0.2591","","","","","","1.17","","","","has coordinates,has disorder","242866","2020-10-21","18:00:00",""
"4133014","14.332","0.0005","20.4637","0.0007","18.2836","0.0005","90","","90","","90","","5362.3","0.3","140","0.1","140","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H65 Co N7 O6 U -","- C56 H65 Co N7 O6 U -","- C224 H260 Co4 N28 O24 U4 -","4","0.5","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.091","0.0856","","","0.219","0.2229","","","","","","1.055","","","","has coordinates,has disorder","242867","2020-10-21","18:00:00",""
"4133015","12.6577","0.0003","23.5758","0.0004","15.4346","0.0003","90","","107.908","0.002","90","","4382.77","0.16","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H51 K N5 O12 U -","- C34 H51 K N5 O12 U -","- C136 H204 K4 N20 O48 U4 -","4","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","0.71073","MoKα","","0.0501","0.0319","","","0.0594","0.0643","","","","","","1.018","","","","has coordinates","242868","2020-10-21","18:00:00",""
"4133016","6.8944","0.0008","11.1491","0.0012","14.7213","0.0015","67.959","0.007","81.512","0.01","82.702","0.01","1034.2","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 D10 N3 O11 U -","- C16 H15 D10 N3 O11 U -","- C32 H30 D20 N6 O22 U2 -","2","1","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","","0.71073","MoKα","","0.0474","0.0372","","","0.0801","0.0856","","","","","","1.077","","","","has coordinates","242869","2020-10-21","18:00:00",""
"4133017","10.3525","0.0003","19.8443","0.0005","19.8538","0.0005","84.793","0.002","78.643","0.002","77.371","0.002","3897.26","0.18","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N6 O8 U -","- C32 H30 N6 O8 U -","- C128 H120 N24 O32 U4 -","4","2","","Faizova, Radmila; Scopelliti, Rosario; Chauvin, Anne-Sophie; Mazzanti, Marinella","Synthesis and Characterization of a Water Stable Uranyl(V) Complex.","Journal of the American Chemical Society","2018","140","42","13554","13557","10.1021/jacs.8b07885","","x-ray","1.54184","CuKα","","0.0639","0.0623","","","0.1638","0.1656","","","","","","1.042","","","","has coordinates","242870","2020-10-21","18:00:00",""
"4133018","15.1318","0.0015","9.1148","0.001","4.2826","0.0005","90","","110.435","0.003","90","","553.5","0.1","293","","293","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- C6 Ag5 S6 -","- C6 Ag5 S6 -","- C12 Ag10 S12 -","2","0.25","","Huang, Xing; Li, Haisheng; Tu, Zeyi; Liu, Liyao; Wu, Xiaoyu; Chen, Jie; Liang, Yingying; Zou, Ye; Yi, Yuanping; Sun, Junliang; Xu, Wei; Zhu, Daoben","Highly Conducting Neutral Coordination Polymer with Infinite Two-Dimensional Silver-Sulfur Networks.","Journal of the American Chemical Society","2018","140","45","15153","15156","10.1021/jacs.8b07921","powder diffraction","x-ray","1.54051","CuKα","","0.0597","0.0597","","0.0813","0.0813","","","","5.71","","","","","","","has coordinates","242871","2020-10-21","18:00:00",""
"4133019","7.1834","0.0001","11.0051","0.0002","21.1383","0.0003","90","","97.142","0.001","90","","1658.1","0.04","170","2","170.01","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H58 O3 Si -","- C34 H58 O3 Si -","- C68 H116 O6 Si2 -","2","1","","Zhang, Hai-Jun; Yin, Liang","Asymmetric Synthesis of α,β-Unsaturated δ-Lactones through Copper(I)-Catalyzed Direct Vinylogous Aldol Reaction.","Journal of the American Chemical Society","2018","140","38","12270","12279","10.1021/jacs.8b07929","","","1.34139","GaKα","","0.0527","0.0426","","","0.0894","0.0956","","","","","","1.087","","","","has coordinates","242872","2020-10-21","18:00:00",""
"4133020","18.1823","0.0004","15.6106","0.0002","17.709","0.0004","90","","117.612","0.003","90","","4453.98","0.19","291.8","0.1","291.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H47 B Cl3 F2 N5 -","- C51 H47 B Cl3 F2 N5 -","- C204 H188 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0883","0.0732","","","0.198","0.21","","","","","","1.051","","","","has coordinates","242873","2020-10-21","18:00:00",""
"4133021","12.02532","0.00019","16.4219","0.0002","43.1429","0.0005","90","","95.3076","0.0013","90","","8483.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H49 N5 -","- C53.5 H49 N5 -","- C428 H392 N40 -","8","2","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0559","0.0509","","","0.1296","0.1331","","","","","","1.055","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4133022","18.2483","0.0003","15.01136","0.00014","18.489","0.0004","90","","119.446","0.003","90","","4410.46","0.18","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 B Cl3 F2 N5 -","- C51 H45 B Cl3 F2 N5 -","- C204 H180 B4 Cl12 F8 N20 -","4","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","x-ray","1.54184","CuKα","","0.0539","0.0504","","","0.129","0.1313","","","","","","1.066","","","","has coordinates","242875","2020-10-21","18:00:00",""
"4133023","29.5594","0.0009","11.4252","0.0002","32.9221","0.0008","90","","90","","90","","11118.5","0.5","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C63 H48 B Cl3 Cu F2 N5 O -","- C63 H48 B Cl3 Cu F2 N5 O -","- C504 H384 B8 Cl24 Cu8 F16 N40 O8 -","8","1","","Xie, Daguan; Liu, Yang; Rao, Yutao; Kim, Gakhyun; Zhou, Mingbo; Yu, Donghai; Xu, Ling; Yin, Bangshao; Liu, Shubin; Tanaka, Takayuki; Aratani, Naoki; Osuka, Atsuhiro; Liu, Qingyun; Kim, Dongho; Song, Jianxin","meso-Triaryl-Substituted Smaragdyrins: Facile Aromaticity Switching.","Journal of the American Chemical Society","2018","140","48","16553","16559","10.1021/jacs.8b07973","","","1.54184","CuKα","","0.1055","0.098","","","0.2528","0.2586","","","","","","1.128","","","","has coordinates,has disorder","242876","2020-10-21","18:00:00",""
"4133024","16.6605","0.0006","12.2075","0.0003","11.3131","0.0004","90","","95.0619","0.0013","90","","2291.92","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 B4 N6 -","- C20 H34 B4 N6 -","- C80 H136 B16 N24 -","4","0.5","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.0979","0.063","","","0.1221","0.1404","","","","","","1.093","","","","has coordinates","242877","2020-10-21","18:00:00",""
"4133025","16.2795","0.0004","17.1593","0.0004","22.3276","0.0006","90.0344","0.0018","90.0987","0.0017","106.28","0.0017","5987","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H188 B8 K4 N12 O21 -","- C100 H188 B8 K4 N12 O21 -","- C200 H376 B16 K8 N24 O42 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.1127","0.0864","","","0.2104","0.2412","","","","","","1.045","","","","has coordinates,has disorder","242878","2020-10-21","18:00:00",""
"4133026","11.4106","0.0002","26.175","0.0006","13.0678","0.0003","90","","101.516","0.0014","90","","3824.42","0.14","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H122 B4 K2 N6 O17 -","- C64 H122 B4 K2 N6 O17 -","- C128 H244 B8 K4 N12 O34 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","1.54178","CuKα","","0.0748","0.0665","","","0.157","0.1633","","","","","","1.006","","","","has coordinates,has disorder","242879","2020-10-21","18:00:00",""
"4133027","10.4493","0.0003","17.1573","0.0005","14.9166","0.0005","90","","106.791","0.0012","90","","2560.25","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H80 B4 K2 N6 O8 -","- C42 H80 B4 K2 N6 O8 -","- C84 H160 B8 K4 N12 O16 -","2","1","","Su, Bochao; Ota, Kei; Xu, Kai; Hirao, Hajime; Kinjo, Rei","Zwitterionic Inorganic Benzene Valence Isomer with σ-Bonding between Two π-Orbitals.","Journal of the American Chemical Society","2018","140","38","11921","11925","10.1021/jacs.8b08025","","","0.71073","MoKα","","0.1015","0.0607","","","0.1216","0.1439","","","","","","1.037","","","","has coordinates","242880","2020-10-21","18:00:00",""
"4133028","39.258","0.005","39.258","0.005","39.258","0.005","90","","90","","90","","60504","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C600 H660 N54 O24 Zn6 -","- C600.096 H320.16 N54 O24 Zn6 -","- C1200.19 H640.32 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.148","0.1302","","","0.3819","0.4051","","","","","","1.579","","","","has coordinates,has disorder","242881","2020-10-21","18:00:00",""
"4133029","40.05","0.006","40.05","0.006","37.745","0.008","90","","90","","90","","60543","18","100","2","100.15","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C592 H656 N52 O26 Zn6 -","- C587.998 H592 N52 O26 Zn6 -","- C1176 H1184 N104 O52 Zn12 -","2","0.125","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.66","synchrotron","","0.1931","0.1199","","","0.3525","0.3809","","","","","","0.994","","","","has coordinates","242882","2020-10-21","18:00:00",""
"4133030","38.945","0.005","38.945","0.005","38.945","0.005","90","","90","","90","","59068","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C588 H654 N54 O24 Zn6 -","- C575.904 H216 N54 O24 Zn6 -","- C1151.81 H432 N108 O48 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.8","synchrotron","","0.1419","0.1291","","","0.3872","0.4072","","","","","","1.708","","","","has coordinates,has disorder","242883","2020-10-21","18:00:00",""
"4133031","39.074","0.005","39.074","0.005","39.074","0.005","90","","90","","90","","59657","13","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C606 H672 N54 O30 Zn6 -","- C606 H216 N54 O30 Zn6 -","- C1212 H432 N108 O60 Zn12 -","2","0.0416667","","Kim, Younghoon; Koo, Jaehyoung; Hwang, In-Chul; Mukhopadhyay, Rahul Dev; Hong, Soonsang; Yoo, Jejoong; Dar, Ajaz Ahmad; Kim, Ikjin; Moon, Dohyun; Shin, Tae Joo; Ko, Young Ho; Kim, Kimoon","Rational Design and Construction of Hierarchical Superstructures Using Shape-Persistent Organic Cages: Porphyrin Box-Based Metallosupramolecular Assemblies.","Journal of the American Chemical Society","2018","140","44","14547","14551","10.1021/jacs.8b08030","","","0.9","synchrotron","","0.151","0.139","","","0.3894","0.4095","","","","","","1.779","","","","has coordinates,has disorder","242884","2020-10-21","18:00:00",""
"4133032","13.5493","0.0016","13.5493","0.0016","9.484","0.003","90","","90","","120","","1507.8","0.5","10","2","10","2","","","","","","","","6","P 3","P 3","143","","","","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","0.71073","MoKα","","0.152","0.0715","","","0.1912","0.2391","","","","","","1.086","","","","has coordinates","242885","2020-10-21","18:00:00",""
"4133033","13.616","0.002","13.616","0.002","9.43","0.004","90","","90","","120","","1514.1","0.7","150.01","0.1","150.01","0.1","","","","","","","","6","P 3","P 3","143","","","","- C22 H67 Cl3 Fe2 N9 O41 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","1.54184","CuKα","","0.063","0.0396","","","0.1135","0.1258","","","","","","0.87","","","","has coordinates","242886","2020-10-21","18:00:00",""
"4133034","11.0154","0.0002","17.1376","0.0004","19.6952","0.0004","100.319","0.001","106.005","0.001","91.226","0.001","3506.22","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H72 F4 N4 O4 -","- C88 H72 F4 N4 O4 -","- C176 H144 F8 N8 O8 -","2","1","","Schwarz, J. Luca; Schäfers, Felix; Tlahuext-Aca, Adrian; Lückemeier, Lukas; Glorius, Frank","Diastereoselective Allylation of Aldehydes by Dual Photoredox and Chromium Catalysis.","Journal of the American Chemical Society","2018","140","40","12705","12709","10.1021/jacs.8b08052","","","1.54178","CuKα","","0.0727","0.05","","","0.1064","0.1166","","","","","","1.049","","","","has coordinates,has disorder","242887","2020-10-21","18:00:00",""
"4133035","10.827","0.0003","11.5685","0.0003","21.0508","0.0005","90","","90","","90","","2636.66","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0272","0.0261","","","0.0653","0.0661","","","","","","1.057","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133036","7.6815","0.0002","10.626","0.0003","22.9383","0.0006","90","","90","","90","","1872.31","0.09","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0316","0.0291","","","0.0712","0.0734","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133037","7.6714","0.0003","10.6397","0.0004","22.9376","0.0008","90","","90","","90","","1872.2","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0284","0.0273","","","0.0679","0.0692","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133038","7.8914","0.0001","14.9048","0.0003","16.1601","0.0003","90","","90","","90","","1900.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0331","0.0301","","","0.0729","0.0749","","","","","","1.054","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133039","7.8906","0.0003","14.9107","0.0004","16.1614","0.0005","90","","90","","90","","1901.46","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","x-ray","1.54178","CuKα","K-L~3~","0.0289","0.0278","","","0.0692","0.0701","","","","","","1.07","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133040","23.3289","0.0006","7.9711","0.0002","10.6124","0.0003","90","","110.47","0.001","90","","1848.84","0.09","100","","100.01","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0273","0.027","","","0.0696","0.07","","","","","","1.06","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133041","23.322","0.0006","7.9725","0.0002","10.6113","0.0003","90","","110.411","0.001","90","","1849.13","0.09","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0279","0.0273","","","0.0701","0.0706","","","","","","1.072","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133042","8.4372","0.0004","9.7417","0.0005","17.5976","0.0008","103.786","0.003","103.714","0.003","91.567","0.003","1359.28","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H44 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","- C50 H43.9996 F24 N4 O2.25 P4 -","1","0.5","","Wu, Yilei; Zhou, Jiawang; Nelson, Jordan N.; Young, Ryan M.; Krzyaniak, Matthew D.; Wasielewski, Michael R.","Covalent Radical Pairs as Spin Qubits: Influence of Rapid Electron Motion between Two Equivalent Sites on Spin Coherence.","Journal of the American Chemical Society","2018","140","40","13011","13021","10.1021/jacs.8b08105","","","1.54178","CuKα","","0.0804","0.0675","","","0.1869","0.1989","","","","","","1.027","","","","has coordinates,has disorder","242889","2020-10-21","18:00:00",""
"4133043","7.103","0.0014","7.171","0.0014","22.409","0.004","94.46","0.03","96.95","0.03","98.47","0.03","1115.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0783","0.0673","","","0.2047","0.2151","","","","","","1.058","","","","has coordinates","242890","2020-10-21","18:00:00",""
"4133044","37.321","0.007","7.449","0.0015","16.822","0.003","90","","101.13","0.03","90","","4588.6","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H28 Cl N O2 -","- C28 H28 Cl N O2 -","- C224 H224 Cl8 N8 O16 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0803","0.0726","","","0.2002","0.208","","","","","","1.132","","","","has coordinates","242891","2020-10-21","18:00:00",""
"4133045","7.1224","0.0008","7.4835","0.0008","37.037","0.004","90","","94.938","0.003","90","","1966.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C88 H80 Cl8 N8 O8 -","8","2","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.1045","0.0945","","","0.235","0.2385","","","","","","1.246","","","","has coordinates","242892","2020-10-21","18:00:00",""
"4133046","5.1777","0.0002","20.3335","0.0007","11.7701","0.0005","90","","102.093","0.0015","90","","1211.67","0.08","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0752","0.0457","","","0.0834","0.0934","","","","","","1.019","","","","has coordinates","242893","2020-10-21","18:00:00",""
"4133047","13.412","0.003","14.379","0.003","15.278","0.003","91.54","0.03","106.29","0.03","106.58","0.03","2692.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N O -","- C15 H10 Br N O -","- C120 H80 Br8 N8 O8 -","8","4","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.7","synchrotron","","0.0782","0.0726","","","0.2156","0.219","","","","","","1.073","","","","has coordinates","242894","2020-10-21","18:00:00",""
"4133048","11.286","0.003","8.552","0.0018","20.17","0.005","90","","102.313","0.008","90","","1902","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N O -","- C12 H11 N O -","- C96 H88 N8 O8 -","8","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0872","0.0527","","","0.1187","0.1344","","","","","","1.038","","","","has coordinates","242895","2020-10-21","18:00:00",""
"4133049","7.406","0.0015","13.453","0.003","17.441","0.003","90","","90.02","0.03","90","","1737.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.67","synchrotron","","0.0666","0.0584","","","0.1641","0.1706","","","","","","1.102","","","","has coordinates","242896","2020-10-21","18:00:00",""
"4133050","19.4538","0.0008","15.5386","0.0007","21.3223","0.001","90","","93.348","0.002","90","","6434.4","0.5","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C63.17 H42.35 B Cl2.35 F24 Ir N2 O2 -","- C63.172 H42.344 B Cl2.344 F24.012 Ir N2 O2 -","- C252.688 H169.376 B4 Cl9.376 F96.048 Ir4 N8 O8 -","4","1","","Hong, Seung Youn; Son, Junsoo; Kim, Dongwook; Chang, Sukbok","Ir(III)-Catalyzed Stereoselective Haloamidation of Alkynes Enabled by Ligand Participation.","Journal of the American Chemical Society","2018","140","39","12359","12363","10.1021/jacs.8b08134","","","0.71073","MoKα","","0.0592","0.0378","","","0.0822","0.0919","","","","","","1.056","","","","has coordinates,has disorder","242897","2020-10-21","18:00:00",""
"4133051","9.204","0.003","10.736","0.003","37.751","0.009","90","","90","","90","","3730.3","1.8","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N4 O4 S -","- C17 H22 N4 O4 S -","- C136 H176 N32 O32 S8 -","8","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0569","0.0478","","","0.1148","0.1191","","","","","","1.093","","","","has coordinates,has disorder","242898","2020-10-21","18:00:00",""
"4133052","16.188","0.002","6.4618","0.0008","16.639","0.002","90","","111.357","0.002","90","","1621","0.3","100","","99.96","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 Cl F N2 O5 -","- C15 H20 Cl F N2 O5 -","- C60 H80 Cl4 F4 N8 O20 -","4","1","","Lennox, Alastair J. J.; Goes, Shannon L.; Webster, Matthew P.; Koolman, Hannes F.; Djuric, Stevan W.; Stahl, Shannon S.","Electrochemical Aminoxyl-Mediated α-Cyanation of Secondary Piperidines for Pharmaceutical Building Block Diversification.","Journal of the American Chemical Society","2018","140","36","11227","11231","10.1021/jacs.8b08145","","x-ray","0.71073","MoKα","","0.0422","0.0373","","","0.0986","0.102","","","","","","1.04","","","","has coordinates,has disorder","242899","2020-10-21","18:00:00",""
"4133053","9.0808","0.0003","14.9109","0.0004","12.3558","0.0004","90","","106.119","0.002","90","","1607.24","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","- C76 H84 N4 O4 -","1","0.5","","Wang, Kuai; Ding, Zhengtian; Zhou, Zhijun; Kong, Wangqing","Ni-Catalyzed Enantioselective Reductive Diarylation of Activated Alkenes by Domino Cyclization/Cross-Coupling.","Journal of the American Chemical Society","2018","140","39","12364","12368","10.1021/jacs.8b08190","","","1.54184","CuKα","","0.0478","0.0427","","","0.1074","0.1112","","","","","","1.036","","","","has coordinates","242900","2020-10-21","18:00:00",""
"4133054","10.3734","0.0004","18.3383","0.0006","11.1315","0.0004","90","","104.216","0.002","90","","2052.7","0.13","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 B2 N2 -","- C32 H18 B2 N2 -","- C128 H72 B8 N8 -","4","1","","Nakatsuka, Soichiro; Yasuda, Nobuhiro; Hatakeyama, Takuji","Four-Step Synthesis of B<sub>2</sub>N<sub>2</sub>-Embedded Corannulene.","Journal of the American Chemical Society","2018","140","42","13562","13565","10.1021/jacs.8b08197","","","0.7813","synchrotron","","0.071","0.0396","","","0.0792","0.1164","","","","","","1.178","","","","has coordinates","242901","2020-10-21","18:00:00",""
"4133055","23.4058","0.0012","9.7389","0.0004","21.1026","0.0011","90","","114.635","0.006","90","","4372.4","0.4","318","2","318","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","0.5","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.1059","0.0584","","","0.1651","0.1836","","","","","","1.098","","","","has coordinates","242902","2020-10-21","18:00:00",""
"4133056","9.8401","0.0003","9.8401","0.0003","7.9506","0.0003","90","","90","","120","","666.7","0.04","298","2","298","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C4 H11 F I3 N Pb -","- C4.0002 H11.001 F1.0002 I3 N Pb -","- C8.0004 H22.002 F2.0004 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0292","0.0276","","","0.0748","0.0759","","","","","","1.063","","","","has coordinates","242903","2020-10-21","18:00:00",""
"4133057","9.8122","0.0002","9.8122","0.0002","7.9417","0.0002","90","","90","","120","","662.18","0.03","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H12 I3 N Pb -","- C4.0002 H12.0006 I3 N Pb -","- C8.0004 H24.0012 I6 N2 Pb2 -","2","0.166667","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0302","0.0258","","","0.0804","0.0819","","","","","","1.013","","","","has coordinates","242904","2020-10-21","18:00:00",""
"4133058","10.0295","0.0004","10.0295","0.0004","8.0329","0.0004","90","","90","","120","","699.78","0.05","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Cl I3 N Pb -","- C4.0002 H11.0004 Cl I3 N Pb -","- C8.0004 H22.0008 Cl2 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0541","0.0329","","","0.1158","0.127","","","","","","1.096","","","","has coordinates","242905","2020-10-21","18:00:00",""
"4133059","23.3952","0.0008","9.6647","0.0002","21.1827","0.0006","90","","114.928","0.004","90","","4343.4","0.3","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H33 I12 N3 Pb3 -","- C12 H33 I12 N3 Pb3 -","- C48 H132 I48 N12 Pb12 -","4","1","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0462","0.043","","","0.1186","0.1205","","","","","","1.007","","","","has coordinates","242906","2020-10-21","18:00:00",""
"4133060","10.0802","0.0005","10.0802","0.0005","8.0696","0.0005","90","","90","","120","","710.1","0.07","298","2","298","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C4 H11 Br I3 N Pb -","- C4.0002 H11.0004 Br1.0002 I3 N Pb -","- C8.0004 H22.0008 Br2.0004 I6 N2 Pb2 -","2","0.0833333","","Hua, Xiu-Ni; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Zhao, Dewei; Xiong, Ren-Gen","A Room-Temperature Hybrid Lead Iodide Perovskite Ferroelectric.","Journal of the American Chemical Society","2018","140","38","12296","12302","10.1021/jacs.8b08286","","","0.71073","MoKα","","0.0549","0.0486","","","0.16","0.1686","","","","","","1.055","","","","has coordinates","242907","2020-10-21","18:00:00",""
"4133061","16.3036","0.0007","16.3036","0.0007","9.2767","0.0004","90","","90","","120","","2135.46","0.16","174","2","174","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H42 O13 Zn4 -","- C30 H42 O13 Zn4 -","- C60 H84 O26 Zn8 -","2","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0668","0.0382","","","0.0657","0.0724","","","","","","0.886","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133062","21.407","0.004","21.407","0.004","29.254","0.006","90","","90","","120","","11610","4","174","2","174","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C132 H132 N36 O25 Zn13 -","- C132 H132 N36 O25 Zn13 -","- C396 H396 N108 O75 Zn39 -","3","0.333333","","Zhao, Xiang; Yang, Huajun; Nguyen, Edward T.; Padilla, Joshua; Chen, Xitong; Feng, Pingyun; Bu, Xianhui","Enabling Homochirality and Hydrothermal Stability in Zn<sub>4</sub>O-Based Porous Crystals.","Journal of the American Chemical Society","2018","140","42","13566","13569","10.1021/jacs.8b08316","","","0.71073","MoKα","","0.0493","0.0397","","","0.1109","0.1171","","","","","","0.899","","","","has coordinates","242908","2020-10-21","18:00:00",""
"4133063","18.0896","0.0013","19.6293","0.0014","26.2525","0.0019","95.895","0.004","98.643","0.005","105.487","0.004","8781","1.1","230","2","230","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H225 Ag Au20 S15 -","- C150 H225 Ag Au20 S15 -","- C300 H450 Ag2 Au40 S30 -","2","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.081","0.0579","","","0.1758","0.192","","","","","","1.04","","","","has coordinates","242909","2020-10-21","18:00:00",""
"4133064","28.5598","0.0009","28.5598","0.0009","73.154","0.004","90","","90","","120","","51675","4","229.9","","229.91","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C150 H225 Ag7.85 Au15.15 S15 -","- C150 H225 Ag7.42 Au15.58 S15 -","- C1800 H2700 Ag89.04 Au186.96 S180 -","12","0.333333","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.0866","0.0619","","","0.1557","0.1741","","","","","","1.071","","","","has coordinates","242910","2020-10-21","18:00:00",""
"4133065","17.4011","0.0006","44.214","0.002","30.335","0.0013","90","","93.106","0.003","90","","23304.6","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag4 Au19 S15 -","- C150 H225 Ag4 Au19 S15 -","- C600 H900 Ag16 Au76 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1494","0.1317","","","0.3186","0.3306","","","","","","1.136","","","","has coordinates","242911","2020-10-21","18:00:00",""
"4133066","17.435","0.0008","34.747","0.002","31.2829","0.0015","90","","93.945","0.003","90","","18906.7","1.7","230","2","230.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H225 Ag5.76 Au17.24 S15 -","- C150 H225 Ag5.76 Au17.24 S15 -","- C600 H900 Ag23.04 Au68.96 S60 -","4","1","","Li, Yingwei; Luo, Tian-Yi; Zhou, Meng; Song, Yongbo; Rosi, Nathaniel L.; Jin, Rongchao","A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping.","Journal of the American Chemical Society","2018","140","43","14235","14243","10.1021/jacs.8b08335","","x-ray","1.54178","CuKα","","0.1241","0.0945","","","0.2418","0.2617","","","","","","1.059","","","","has coordinates","242912","2020-10-21","18:00:00",""
"4133067","10.14479","0.00018","15.77","0.0003","18.0637","0.0003","90","","90","","90","","2889.89","0.09","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H38 F6 Fe N4 O3 S2 -","- C23 H38 F6 Fe N4 O3 S2 -","- C92 H152 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0235","0.0225","","","0.0536","0.0543","","","","","","1.057","","","","has coordinates","242913","2020-10-21","18:00:00",""
"4133068","8.69605","0.0001","27.0715","0.0003","11.47003","0.00012","90","","99.8988","0.0011","90","","2660.02","0.05","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H39 F3 Fe N4 O3 S2 -","- C22 H39 F3 Fe N4 O3 S2 -","- C88 H156 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","1.54178","CuKα","","0.0284","0.0252","","","0.06","0.0619","","","","","","1.022","","","","has coordinates","242914","2020-10-21","18:00:00",""
"4133069","16.8056","0.0003","12.9548","0.0002","25.241","0.0005","90","","90","","90","","5495.3","0.17","110","2","110","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C38 H58 F12 Fe2 N10 O11 S4 -","- C38 H58 F12 Fe2 N10 O11 S4 -","- C152 H232 F48 Fe8 N40 O44 S16 -","4","0.5","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0352","0.0301","","","0.0715","0.0746","","","","","","1.029","","","","has coordinates,has disorder","242915","2020-10-21","18:00:00",""
"4133070","8.3436","0.0002","23.146","0.0006","12.0896","0.0005","90","","94.827","0.003","90","","2326.47","0.13","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 F6 Fe N4 O3 S2 -","- C17 H26 F6 Fe N4 O3 S2 -","- C68 H104 F24 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.031","0.0262","","","0.0613","0.0639","","","","","","1.043","","","","has coordinates,has disorder","242916","2020-10-21","18:00:00",""
"4133071","8.5954","0.0002","20.9367","0.0005","12.2537","0.0004","90","","106.051","0.003","90","","2119.2","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H27 F3 Fe N4 O3 S2 -","- C16 H27 F3 Fe N4 O3 S2 -","- C64 H108 F12 Fe4 N16 O12 S8 -","4","1","","Gordon, Jesse B.; McGale, Jeremy P.; Prendergast, Joshua R.; Shirani-Sarmazeh, Zahra; Siegler, Maxime A.; Jameson, Guy N. L.; Goldberg, David P.","Structures, Spectroscopic Properties, and Dioxygen Reactivity of 5- and 6-Coordinate Nonheme Iron(II) Complexes: A Combined Enzyme/Model Study of Thiol Dioxygenases.","Journal of the American Chemical Society","2018","140","44","14807","14822","10.1021/jacs.8b08349","","","0.71073","MoKα","","0.0324","0.0267","","","0.0618","0.0646","","","","","","1.026","","","","has coordinates,has disorder","242917","2020-10-21","18:00:00",""
"4133072","7.1478","0.0007","19.364","0.002","20.976","0.002","90","","90","","90","","2903.3","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H8 N2 O4 -","- C20 H8 N2 O4 -","- C160 H64 N16 O32 -","8","1","","Zhang, Bing; Wei, Mufeng; Mao, Haiyan; Pei, Xiaokun; Alshmimri, Sultan A.; Reimer, Jeffrey A.; Yaghi, Omar M.","Crystalline Dioxin-Linked Covalent Organic Frameworks from Irreversible Reactions.","Journal of the American Chemical Society","2018","140","40","12715","12719","10.1021/jacs.8b08374","","x-ray","0.7288","synchrotron","","0.0438","0.0375","","","0.0963","0.1021","","","","","","1.066","","","","has coordinates","242918","2020-10-21","18:00:00",""
"4133073","6.5384","0.0007","19.201","0.002","12.6755","0.0014","90","","92.199","0.002","90","","1590.2","0.3","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","bis(mu2-2,2,2',2'-tetramethyl-1,3-benzenedipropanoato-O,O')-aqua-rhodium- bismuth","","- C32 H41.44 Bi O9 Rh -","- C32 H41.4366 Bi O9 Rh -","- C64 H82.8732 Bi2 O18 Rh2 -","2","1","","Collins, Lee R.; van Gastel, Maurice; Neese, Frank; Fürstner, Alois","Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational Study.","Journal of the American Chemical Society","2018","140","40","13042","13055","10.1021/jacs.8b08384","","","0.71073","Mo-Kα","","0.0476","0.0418","","","0.0872","0.0887","","","","","","1.223","","","","has coordinates,has disorder","242919","2020-10-21","18:00:00",""
"4133074","19.557","0.004","5.417","0.0011","21.739","0.004","90","","102.53","0.03","90","","2248.2","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 S3 -","- C21 H19 N O4 S3 -","- C84 H76 N4 O16 S12 -","4","1","","Huang, Zixuan; Noble, Benjamin B.; Corrigan, Nathaniel; Chu, Yingying; Satoh, Kotaro; Thomas, Donald S.; Hawker, Craig J.; Moad, Graeme; Kamigaito, Masami; Coote, Michelle L.; Boyer, Cyrille; Xu, Jiangtao","Discrete and Stereospecific Oligomers Prepared by Sequential and Alternating Single Unit Monomer Insertion.","Journal of the American Chemical Society","2018","140","41","13392","13406","10.1021/jacs.8b08386","","","0.71073","MoKα","","0.3022","0.1801","","","0.4042","0.4696","","","","","","1.226","","","","has coordinates","242920","2020-10-21","18:00:00",""
"4133075","10.069","0.005","13.923","0.003","23.605","0.004","99.637","0.016","96.307","0.017","102.375","0.019","3150","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H106 B2 Cl9 N P2 Pt -","- C54 H106 B2 Cl9 N P2 Pt -","- C108 H212 B4 Cl18 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0721","0.0489","","","0.0939","0.1013","","","","","","1.082","","","","has coordinates,has disorder","242922","2020-10-21","18:00:00",""
"4133076","17.525","0.008","8.667","0.004","18.103","0.005","90","","90","","90","","2749.6","1.9","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C35 H26 B2 Cl2 -","- C35 H26 B2 Cl2 -","- C140 H104 B8 Cl8 -","4","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0387","0.0322","","","0.0837","0.0884","","","","","","1.04","","","","has coordinates","242923","2020-10-21","18:00:00",""
"4133077","9.098","0.003","14.582","0.004","20.853","0.003","90","","99.45","0.02","90","","2729","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 B2 F2 P2 Pt -","- C24 H40 B2 F2 P2 Pt -","- C96 H160 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0271","0.021","","","0.0476","0.0496","","","","","","1.05","","","","has coordinates","242924","2020-10-21","18:00:00",""
"4133078","15.01","0.008","13.878","0.007","19.709","0.01","90","","93.77","0.02","90","","4097","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 B2 F2 -","- C28 H18 B2 F2 -","- C224 H144 B16 F16 -","8","2","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.1018","0.0493","","","0.1006","0.122","","","","","","0.998","","","","has coordinates","242925","2020-10-21","18:00:00",""
"4133079","6.4637","0.0016","12.672","0.004","8.946","0.003","90","","95.955","0.011","90","","728.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 B2 Cl4 P2 -","- C6 H18 B2 Cl4 P2 -","- C12 H36 B4 Cl8 P4 -","2","0.5","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0202","0.0174","","","0.0435","0.0443","","","","","","1.081","","","","has coordinates","242926","2020-10-21","18:00:00",""
"4133080","10.061","0.004","13.999","0.007","23.687","0.01","99.726","0.008","96.352","0.005","102.088","0.007","3178","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H106 B2 Br Cl8 N P2 Pt -","- C54 H106 B2 Br Cl8 N P2 Pt -","- C108 H212 B4 Br2 Cl16 N2 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0496","","","0.116","0.1233","","","","","","1.078","","","","has coordinates,has disorder","242927","2020-10-21","18:00:00",""
"4133081","9.3437","0.0015","12.3226","0.0019","33.839","0.008","90","","97.135","0.014","90","","3866","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 B2 F2 P2 Pt -","- C39 H64 B2 F2 P2 Pt -","- C156 H256 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0381","0.0324","","","0.0727","0.0744","","","","","","1.182","","","","has coordinates","242928","2020-10-21","18:00:00",""
"4133082","10.568","0.003","10.666","0.003","21.787","0.008","95.4","0.02","98.984","0.014","90.482","0.014","2414.2","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H65 B2 F2 P2 Pt2 -","- C53 H65 B2 F2 P2 Pt2 -","- C106 H130 B4 F4 P4 Pt4 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0377","0.0248","","","0.0591","0.0651","","","","","","1.031","","","","has coordinates","242929","2020-10-21","18:00:00",""
"4133083","12.422","0.003","13.924","0.003","19.359","0.005","90","","95.423","0.012","90","","3333.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B2 F2 P2 Pt -","- C30 H52 B2 F2 P2 Pt -","- C120 H208 B8 F8 P8 Pt4 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.022","0.0179","","","0.0436","0.0452","","","","","","1.078","","","","has coordinates","242930","2020-10-21","18:00:00",""
"4133084","17.286","0.005","11.333","0.004","22.6","0.007","90","","96.45","0.03","90","","4399","2","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C63 H46 B2 -","- C63 H46 B2 -","- C252 H184 B8 -","4","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0629","0.0525","","","0.1342","0.1432","","","","","","1.071","","","","has coordinates","242931","2020-10-21","18:00:00",""
"4133085","9.869","0.005","11.089","0.006","21.351","0.012","94.42","0.03","99.27","0.019","96.16","0.02","2282","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H74 B2 Cl4 P2 Pt -","- C43 H74 B2 Cl4 P2 Pt -","- C86 H148 B4 Cl8 P4 Pt2 -","2","1","","Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger","Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.","Journal of the American Chemical Society","2018","140","40","13056","13063","10.1021/jacs.8b08428","","","0.71073","MoKα","","0.0279","0.0242","","","0.0545","0.0562","","","","","","1.054","","","","has coordinates,has disorder","242932","2020-10-21","18:00:00",""
"4133086","20.56","0.0003","20.56","0.0003","67.1128","0.0011","90","","90","","90","","28369.5","0.7","293","","293","","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_SO2","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C44 H24 N2 O44.544 S14.272 Zr3 -","- C352 H192 N16 O356.352 S114.176 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","3.10498","","","","","","","","2.76239","","","","","","","has coordinates","242933","2020-10-21","18:00:00",""
"4133087","20.5905","0.0004","20.5905","0.0004","66.874","0.002","90","","90","","90","","28352.5","1.2","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","MFM-600","","","- C38.13 H20 N1.73 O11.47 Zr2 -","- C39.6 H20.6667 N1.8 O11.6 Zr2 -","- C475.2 H248 N21.6 O139.2 Zr24 -","12","0.375","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","","x-ray","1.54184","CuKα","","0.1091","0.0837","","","0.234","0.2628","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4133088","20.7442","0.0002","20.7442","0.0002","66.4456","0.0007","90","","90","","90","","28593","0.5","298","","298","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_empty","- C44 H24 N2 O16 Zr3 -","- C44 H24 N2 O16 Zr3 -","- C352 H192 N16 O128 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","6.04349","","","","","","","","4.07772","","","","","","","has coordinates","242935","2020-10-21","18:00:00",""
"4133089","20.6839","0.0003","20.6839","0.0003","66.7301","0.0009","90","","90","","90","","28548.7","0.7","200","","200","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","MFM-601_CO2","- C51.36 H24 N2 O28.72 Zr3 -","- C51.044 H24 N2 O28.404 Zr3 -","- C408.352 H192 N16 O227.232 Zr24 -","8","0.25","","Carter, Joseph H.; Han, Xue; Moreau, Florian Y.; da Silva, Ivan; Nevin, Adam; Godfrey, Harry G. W.; Tang, Chiu C.; Yang, Sihai; Schröder, Martin","Exceptional Adsorption and Binding of Sulfur Dioxide in a Robust Zirconium-Based Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","46","15564","15567","10.1021/jacs.8b08433","powder diffraction","","0.826013","synchrotron","","4.98582","","","","","","","","3.30269","","","","","","","has coordinates","242936","2020-10-21","18:00:00",""
"4133090","13.0018","0.0005","18.0812","0.0007","18.4092","0.0007","100.535","0.001","105.668","0.002","105.893","0.002","3850.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H53 B Cl F24 Mo N3 P2 -","- C79 H53 B Cl F24 Mo N3 P2 -","- C158 H106 B2 Cl2 F48 Mo2 N6 P4 -","2","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0448","0.0422","","","0.1111","0.1134","","","","","","1.091","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133091","37.1367","0.0009","11.2491","0.0003","17.4213","0.0004","90","","90","","90","","7277.8","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C81 H57 B F24 Mo N3 P2 -","- C81 H57 B F24 Mo N3 P2 -","- C324 H228 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0334","0.0333","","","0.0861","0.0862","","","","","","1.076","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133092","19.2322","0.0004","17.1195","0.0004","23.0976","0.0005","90","","100.715","0.001","90","","7472.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H58 B F24 Mo N3 P2 -","- C81 H58 B F24 Mo N3 P2 -","- C324 H232 B4 F96 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0433","0.041","","","0.1018","0.1038","","","","","","1.045","","","","has coordinates,has disorder","242937","2020-10-21","18:00:00",""
"4133093","10.3714","0.0002","16.5866","0.0003","22.7054","0.0004","90","","96.857","0.001","90","","3877.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 Mo N3 P2 -","- C49 H45 Mo N3 P2 -","- C196 H180 Mo4 N12 P8 -","4","1","","Bezdek, Máté J; Chirik, Paul J.","Proton-Coupled Electron Transfer to a Molybdenum Ethylene Complex Yields a β-Agostic Ethyl: Structure, Dynamics and Mechanism.","Journal of the American Chemical Society","2018","140","42","13817","13826","10.1021/jacs.8b08460","","","1.54178","CuKα","","0.0298","0.0271","","","0.0621","0.0638","","","","","","1.126","","","","has coordinates","242937","2020-10-21","18:00:00",""
"4133094","4.5113","0.0003","17.3791","0.001","15.5995","0.0009","90","","94.788","0.003","90","","1218.77","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","1","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.1058","0.0602","","","0.1338","0.1494","","","","","","1.022","","","","has coordinates","242938","2020-10-21","18:00:00",""
"4133095","14.4912","0.0006","9.6735","0.0004","16.1593","0.0007","90","","115.133","0.001","90","","2050.76","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 N6 O6 -","- C46 H58 N6 O6 -","- C92 H116 N12 O12 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.059","0.0468","","","0.1229","0.1313","","","","","","1.045","","","","has coordinates","242939","2020-10-21","18:00:00",""
"4133096","19.855","0.002","5.3006","0.0006","15.6536","0.0018","90","","90","","90","","1647.4","0.3","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C37 H39 N3 O3 -","- C37 H39 N3 O3 -","- C74 H78 N6 O6 -","2","0.5","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0891","0.0577","","","0.1156","0.1269","","","","","","1.057","","","","has coordinates","242940","2020-10-21","18:00:00",""
"4133097","6.0098","0.0003","7.2615","0.0003","27.0654","0.0011","93.947","0.001","90.405","0.001","91.11","0.001","1178.07","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H28 N2 O3 -","- C31 H28 N2 O3 -","- C62 H56 N4 O6 -","2","2","","DeHaven, Baillie A.; Goodlett, Dustin W.; Sindt, Ammon J.; Noll, Niklas; De Vetta, Martina; Smith, Mark D.; Martin, Corey R.; González, Leticia; Shimizu, Linda S.","Enhancing the Stability of Photogenerated Benzophenone Triplet Radical Pairs through Supramolecular Assembly.","Journal of the American Chemical Society","2018","140","40","13064","13070","10.1021/jacs.8b08501","","x-ray","0.71073","MoKα","","0.0868","0.056","","","0.1464","0.1642","","","","","","1.028","","","","has coordinates","242941","2020-10-21","18:00:00",""
"4133098","18.3453","0.0008","18.3453","0.0008","52.3638","0.0016","90","","90","","120","","15262","1.1","120","2","120.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","MFM-102-NH2","","","- C28 H14 Cu2 N2 O10 -","- C30 H14 Cu2 N2 O10 -","- C270 H126 Cu18 N18 O90 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.0916","0.0836","","","0.2756","0.2895","","","","","","1.278","","","","has coordinates,has disorder","242942","2020-10-21","18:00:00",""
"4133099","18.3933","0.0006","18.3933","0.0006","52.3346","0.0018","90","","90","","120","","15333.4","0.9","120","2","120","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H13 Cu2 N2 O14 -","- C28 H13 Cu2 N2 O14 -","- C252 H117 Cu18 N18 O126 -","9","0.25","","Duong, Thien D.; Sapchenko, Sergey A.; da Silva, Ivan; Godfrey, Harry G. W.; Cheng, Yongqiang; Daemen, Luke L.; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","Optimal Binding of Acetylene to a Nitro-Decorated Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16006","16009","10.1021/jacs.8b08504","","","1.54184","CuKα","","0.091","0.0857","","","0.3166","0.3301","","","","","","1.517","","","","has coordinates,has disorder","242943","2020-10-21","18:00:00",""
"4133100","33.633","0.003","10.3014","0.0011","33.059","0.003","90","","103.544","0.005","90","","11135.3","1.9","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 F20 N8 O2 P2 -","- C54 H52 F20 N8 O2 P2 -","- C432 H416 F160 N64 O16 P16 -","8","2","","Wang, Yuping; Cheng, Tao; Sun, Junling; Liu, Zhichang; Frasconi, Marco; Goddard, 3rd, William A; Stoddart, J. Fraser","Neighboring Component Effect in a Tri-stable [2]Rotaxane.","Journal of the American Chemical Society","2018","140","42","13827","13834","10.1021/jacs.8b08519","","","1.54178","CuKα","","0.1922","0.1162","","","0.2785","0.3297","","","","","","1.017","","","","has coordinates","242945","2020-10-21","18:00:00",""
"4133101","10.4011","0.0012","14.499","0.0017","15.8935","0.0018","77.913","0.006","75.424","0.006","84.359","0.006","2265.6","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N6 O2 -","- C51 H58 B Fe N6 O2 -","- C102 H116 B2 Fe2 N12 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0588","0.0409","","","0.111","0.1149","","","","","","1.094","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133102","11.3063","0.0004","14.0433","0.0005","14.6725","0.0005","81.601","0.002","85.289","0.002","71.56","0.002","2184.75","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O -","- C51 H58 B Fe N5 O -","- C102 H116 B2 Fe2 N10 O2 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.0379","0.0355","","","0.0963","0.0976","","","","","","1.048","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133103","10.5114","0.0003","15.288","0.0004","17.6141","0.0005","71.067","0.002","76.115","0.002","72.057","0.001","2516.18","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H66 B Fe N6 O4 -","- C55 H66 B Fe N6 O4 -","- C110 H132 B2 Fe2 N12 O8 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","1.54178","CuKα","","0.06","0.0543","","","0.1567","0.1616","","","","","","1.079","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133104","12.7147","0.0005","13.7514","0.0005","16.3476","0.0007","90","","108.215","0.004","90","","2715.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Fe N4 O2 -","- C29 H38 Fe N4 O2 -","- C116 H152 Fe4 N16 O8 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0426","0.0336","","","0.0865","0.0946","","","","","","1.055","","","","has coordinates,has disorder","242946","2020-10-21","18:00:00",""
"4133105","9.1431","0.0001","12.8888","0.0002","19.5058","0.0003","91.109","0.001","97.201","0.001","101.123","0.001","2235.43","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 B Fe N5 O2 -","- C51 H58 B Fe N5 O2 -","- C102 H116 B2 Fe2 N10 O4 -","2","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","x-ray","0.71073","MoKα","","0.0318","0.0284","","","0.0739","0.0759","","","","","","1.045","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133106","16.165","0.002","9.9467","0.0014","17.475","0.003","90","","95.499","0.003","90","","2796.8","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Fe N4 O3 -","- C29 H38 Fe N4 O3 -","- C116 H152 Fe4 N16 O12 -","4","1","","Cheung, Pui Man; Burns, Kyle T.; Kwon, Yubin M.; Deshaye, Megan Y.; Aguayo, Kristopher J.; Oswald, Victoria F.; Seda, Takele; Zakharov, Lev N.; Kowalczyk, Tim; Gilbertson, John D.","Hemilabile Proton Relays and Redox Activity Lead to {FeNO} <sup>x</sup> and Significant Rate Enhancements in NO<sub>2</sub><sup>-</sup> Reduction.","Journal of the American Chemical Society","2018","140","49","17040","17050","10.1021/jacs.8b08520","","","0.71073","MoKα","","0.0418","0.0354","","","0.0914","0.0977","","","","","","1.04","","","","has coordinates","242946","2020-10-21","18:00:00",""
"4133107","19.5737","0.0003","51.8182","0.0007","14.2647","0.00017","90","","90.833","0.001","90","","14466.8","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99.45 H115.73 Cl12 N17.3 O5.48 Pd6 -","- C98.5 H103.325 Cl12 N17.31 O5.485 Pd6 -","- C394 H413.3 Cl48 N69.24 O21.94 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1289","0.1085","","","0.242","0.2511","","","","","","1.172","","","","has coordinates,has disorder","242947","2020-10-21","18:00:00",""
"4133108","7.9169","0.0003","19.429","0.0009","7.3475","0.0003","90","","98.185","0.004","90","","1118.66","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.042","0.0367","","","0.0964","0.0993","","","","","","1.078","","","","has coordinates","242948","2020-10-21","18:00:00",""
"4133109","19.5614","0.0005","51.55","0.002","14.2922","0.0004","90","","90.911","0.002","90","","14410.3","0.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89.75 H96.62 Cl12 N14.87 O2 Pd6 -","- C89.74 H92.61 Cl12 N14.87 O2 Pd6 -","- C358.96 H370.44 Cl48 N59.48 O8 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.2288","0.1763","","","0.366","0.3914","","","","","","1.089","","","","has coordinates","242949","2020-10-21","18:00:00",""
"4133110","19.58634","0.00019","52.1165","0.0005","14.22037","0.00014","90","","91.446","0.001","90","","14511.1","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102.62 H103.47 Cl12 N17.69 O5.6 Pd6 -","- C102.64 H103.504 Cl12 N17.696 O5.604 Pd6 -","- C410.56 H414.016 Cl48 N70.784 O22.416 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1209","0.1052","","","0.2312","0.2381","","","","","","1.185","","","","has coordinates,has disorder","242950","2020-10-21","18:00:00",""
"4133111","19.5974","0.0002","51.9761","0.0006","14.2421","0.00014","90","","90.977","0.001","90","","14504.8","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98.38 H114.46 Cl12 N16.83 O6 Pd6 -","- C96.45 H99.75 Cl12 N16.86 O6 Pd6 -","- C385.8 H399 Cl48 N67.44 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71073","MoKα","","0.1065","0.0948","","","0.2199","0.2259","","","","","","1.161","","","","has coordinates,has disorder","242951","2020-10-21","18:00:00",""
"4133112","19.6067","0.0004","51.7809","0.0013","14.2567","0.0003","90","","90.818","0.002","90","","14472.7","0.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93.05 H109.57 Cl12 N16.53 O6 Pd6 -","- C93.02 H97.53 Cl12 N16.51 O6 Pd6 -","- C372.08 H390.12 Cl48 N66.04 O24 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1793","0.1544","","","0.3196","0.3302","","","","","","1.177","","","","has coordinates","242952","2020-10-21","18:00:00",""
"4133113","19.548","0.0002","51.5698","0.0008","14.2643","0.00015","90","","90.991","0.001","90","","14377.5","0.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C91.55 H103.3 Cl12 N15.77 O3.99 Pd6 -","- C91.56 H95.34 Cl12 N15.78 O3.99 Pd6 -","- C366.24 H381.36 Cl48 N63.12 O15.96 Pd24 -","4","1","","Yonezawa, Hirotaka; Tashiro, Shohei; Shiraogawa, Takafumi; Ehara, Masahiro; Shimada, Rintaro; Ozawa, Takeaki; Shionoya, Mitsuhiko","Preferential Photoreaction in a Porous Crystal, Metal-Macrocycle Framework: Pd<sup>II</sup>-Mediated Olefin Migration over [2+2] Cycloaddition.","Journal of the American Chemical Society","2018","140","48","16610","16614","10.1021/jacs.8b08534","","","0.71075","MoKα","","0.1824","0.1637","","","0.3404","0.3501","","","","","","1.153","","","","has coordinates","242953","2020-10-21","18:00:00",""
"4133114","9.445","0.006","17.635","0.011","12.818","0.009","90","","100.343","0.018","90","","2100","2","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H65 N O2 -","- C48 H65 N O2 -","- C96 H130 N2 O4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0622","0.0449","","","0.1115","0.1227","","","","","","1.049","","","","has coordinates","242954","2020-10-21","18:00:00",""
"4133115","10.9104","0.0004","11.69","0.0004","19.0142","0.0007","84.791","0.001","89.599","0.001","64.421","0.001","2177","0.14","102.64","","102.64","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H58 F12 N2 O Sb2 -","- C37 H58 F12 N2 O Sb2 -","- C74 H116 F24 N4 O2 Sb4 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0284","0.0243","","","0.0576","0.0593","","","","","","1.067","","","","has coordinates,has disorder","242955","2020-10-21","18:00:00",""
"4133116","21.146","0.01","10.812","0.005","21.727","0.014","90","","113.97","0.03","90","","4539","4","150.07","","150.07","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C42 H42 Cl2 F12 N2 O3 Sb2 -","- C168 H168 Cl8 F48 N8 O12 Sb8 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.1219","0.0618","","","0.105","0.1232","","","","","","1.015","","","","has coordinates","242956","2020-10-21","18:00:00",""
"4133117","15.9767","0.0014","14.0442","0.0012","18.0755","0.0012","90","","112.971","0.002","90","","3734.2","0.5","149.95","","149.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 Cl3 N2 O3 -","- C38 H49 Cl3 N2 O3 -","- C152 H196 Cl12 N8 O12 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0588","0.0423","","","0.1032","0.1136","","","","","","1.035","","","","has coordinates","242957","2020-10-21","18:00:00",""
"4133118","16.5937","0.0015","18.4373","0.0017","19.3881","0.0018","90","","90","","90","","5931.7","0.9","99.99","","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 N2 O -","- C38 H38 N2 O -","- C304 H304 N16 O8 -","8","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0962","0.0567","","","0.1261","0.1437","","","","","","1.04","","","","has coordinates","242958","2020-10-21","18:00:00",""
"4133119","16.3993","0.0004","10.4714","0.0003","21.894","0.0006","90","","108.739","0.001","90","","3560.42","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H55 F6 N O Sb -","- C35 H55 F6 N O Sb -","- C140 H220 F24 N4 O4 Sb4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.56086","AgKα","","0.0601","0.0527","","","0.1239","0.1283","","","","","","1.132","","","","has coordinates,has disorder","242959","2020-10-21","18:00:00",""
"4133120","11.107","0.0007","11.9674","0.0012","13.1084","0.0011","100.218","0.004","106.913","0.002","101.637","0.004","1580.1","0.2","149.95","","149.95","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 N O -","- C39 H47 N O -","- C78 H94 N2 O2 -","2","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0504","0.0449","","","0.1263","0.1316","","","","","","1.038","","","","has coordinates","242960","2020-10-21","18:00:00",""
"4133121","10.6399","0.0005","16.1527","0.0007","18.8284","0.0009","90","","104.567","0.002","90","","3131.9","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H55 N O -","- C35 H55 N O -","- C140 H220 N4 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.051","0.0417","","","0.1112","0.1175","","","","","","1.047","","","","has coordinates","242961","2020-10-21","18:00:00",""
"4133122","29.162","0.002","37.089","0.003","21.3845","0.0016","90","","128.754","0.002","90","","18037","2","149.93","","149.93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H44 N2 O -","- C34 H44 N2 O -","- C816 H1056 N48 O24 -","24","6","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0702","0.0503","","","0.136","0.1503","","","","","","1.028","","","","has coordinates","242962","2020-10-21","18:00:00",""
"4133123","16.9545","0.0014","8.8519","0.0009","20.4216","0.0019","90","","96.701","0.004","90","","3043.9","0.5","150.02","","150.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N2 O -","- C34 H46 N2 O -","- C136 H184 N8 O4 -","4","1","","Antoni, Patrick W.; Hansmann, Max M.","Pyrylenes: A New Class of Tunable, Redox-Switchable, Photoexcitable Pyrylium-Carbene Hybrids with Three Stable Redox-States.","Journal of the American Chemical Society","2018","140","44","14823","14835","10.1021/jacs.8b08545","","","0.71073","MoKα","","0.0566","0.0492","","","0.1357","0.1427","","","","","","1.038","","","","has coordinates,has disorder","242963","2020-10-21","18:00:00",""
"4133124","9.091","0.007","13.501","0.01","24.173","0.017","90","","92.202","0.009","90","","2965","4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","GaRhOPh","GaRhOPh","","- C33 H35 Ga N7 O Rh -","- C33 H35 Ga N7 O Rh -","- C132 H140 Ga4 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0406","0.0292","","","0.0634","0.0687","","","","","","1.029","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133125","9.896","0.006","14.132","0.008","29.945","0.017","95.787","0.007","92.199","0.007","100.755","0.006","4086","4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","monoRh","monoRh","","- C29 H36 N7 O Rh -","- C29 H36 N7 O Rh -","- C174 H216 N42 O6 Rh6 -","6","3","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0501","0.0357","","","0.0801","0.0861","","","","","","0.967","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133126","19.294","0.0008","12.8245","0.0005","19.7857","0.0008","90","","90","","90","","4895.7","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","GaRhCl","GaRhCl","","- C22 H26 Cl3 Ga N7 Rh -","- C22 H26 Cl3 Ga N7 Rh -","- C176 H208 Cl24 Ga8 N56 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0325","0.0243","","","0.0551","0.06","","","","","","1.052","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133127","17.4625","0.0007","12.5659","0.0005","20.6692","0.0009","90","","90","","90","","4535.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GaRhMe","GaRhMe","","- C23 H28.5 Ga N7.5 Rh -","- C23 H28.5 Ga N7.5 Rh -","- C184 H228 Ga8 N60 Rh8 -","8","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0219","0.0187","","","0.0445","0.0458","","","","","","1.051","","","","has coordinates,has disorder","242964","2020-10-21","18:00:00",""
"4133128","8.842","0.004","22.611","0.008","18.333","0.008","90","","103.081","0.019","90","","3570","3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Rh(OPh)diphenylacetylene","Rh(OPh)diphenylacetylene","","- C41 H42 N7 O Rh -","- C41 H42 N7 O Rh -","- C164 H168 N28 O4 Rh4 -","4","1","","Desai, Sai Puneet; Ye, Jingyun; Zheng, Jian; Ferrandon, Magali S.; Webber, Thomas E.; Platero-Prats, Ana E; Duan, Jiaxin; Garcia-Holley, Paula; Camaioni, Donald M.; Chapman, Karena W.; Delferro, Massimiliano; Farha, Omar K.; Fulton, John L.; Gagliardi, Laura; Lercher, Johannes A.; Penn, R. Lee; Stein, Andreas; Lu, Connie C.","Well-Defined Rhodium-Gallium Catalytic Sites in a Metal-Organic Framework: Promoter-Controlled Selectivity in Alkyne Semihydrogenation to E-Alkenes.","Journal of the American Chemical Society","2018","140","45","15309","15318","10.1021/jacs.8b08550","","","0.71073","MoKα","","0.0793","0.0428","","","0.0666","0.076","","","","","","1.046","","","","has coordinates","242964","2020-10-21","18:00:00",""
"4133129","31.9639","0.0007","19.6929","0.0003","18.4105","0.0004","90","","108.64","0.002","90","","10980.8","0.4","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-OAc","[Fe2((Py2PhO2)MP)(OAc)2](CoCp2)","","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C51 H53 Cl4 Co Fe2 N4 O7 -","- C408 H424 Cl32 Co8 Fe16 N32 O56 -","8","1","","Dong, Hai T.; White, Corey J.; Zhang, Bo; Krebs, Carsten; Lehnert, Nicolai","Non-Heme Diiron Model Complexes Can Mediate Direct NO Reduction: Mechanistic Insight into Flavodiiron NO Reductases.","Journal of the American Chemical Society","2018","140","41","13429","13440","10.1021/jacs.8b08567","","","1.54178","CuKα","","0.0668","0.0553","","","0.15","0.1615","","","","","","1.019","","","","has coordinates,has disorder","242965","2020-10-21","18:00:00",""
"4133130","13.9343","0.0003","5.64024","0.00015","10.3593","0.0003","90","","90","","90","","814.17","0.04","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H6 Cl2 N2 -","- C8 H6 Cl2 N2 -","- C32 H24 Cl8 N8 -","4","1","","Liu, Huiyu; Zhang, Weiguo; Halasyamani, P. Shiv; Stokes, Harold T.; Campbell, Branton J.; Evans, John S. O.; Evans, Ivana Radosavljevic","Understanding the Behavior of the Above-Room-Temperature Molecular Ferroelectric 5,6-Dichloro-2-methylbenzimidazole Using Symmetry Adapted Distortion Mode Analysis.","Journal of the American Chemical Society","2018","140","41","13441","13448","10.1021/jacs.8b08591","","","0.71073","MoKα","","0.03","0.0272","","0.0488","0.0456","0.0456","","","","","","1","","","","has coordinates","242966","2020-10-21","18:00:00",""
"4133131","10.242","0.0002","11.6419","0.0002","23.9124","0.0005","90","","102.025","0.001","90","","2788.66","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(η^2^,η^2^-Tetraphenylcyclopentadienone)-tricarbonyl-iron methylene chloride solvate","","- C33 H22 Cl2 Fe O4 -","- C33 H22 Cl2 Fe O4 -","- C132 H88 Cl8 Fe4 O16 -","4","1","","Lehnherr, Dan; Ji, Yining; Neel, Andrew J.; Cohen, Ryan D.; Brunskill, Andrew P. J.; Yang, Junyu; Reibarkh, Mikhail","Discovery of a Photoinduced Dark Catalytic Cycle Using in Situ LED-NMR Spectroscopy.","Journal of the American Chemical Society","2018","140","42","13843","13853","10.1021/jacs.8b08596","","","1.54178","CuKα","","0.0317","0.0302","","","0.0769","0.0779","","","","","","1.04","","","","has coordinates","242967","2020-10-21","18:00:00",""
"4133132","8.9859","0.0001","10.7111","0.0001","12.6455","0.0002","80.524","0.001","74.47","0.001","72.238","0.001","1112.21","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 N O5 S -","- C24 H29 N O5 S -","- C48 H58 N2 O10 S2 -","2","1","","Wu, Xiangyu; Hao, Wei; Ye, Ke-Yin; Jiang, Binyang; Pombar, Gisselle; Song, Zhidong; Lin, Song","Ti-Catalyzed Radical Alkylation of Secondary and Tertiary Alkyl Chlorides Using Michael Acceptors.","Journal of the American Chemical Society","2018","140","44","14836","14843","10.1021/jacs.8b08605","","x-ray","1.54184","CuKα","","0.0365","0.0354","","","0.098","0.0991","","","","","","1.075","","","","has coordinates,has disorder","242968","2020-10-21","18:00:00",""
"4133133","8.185","0.0003","19.0335","0.0007","14.056","0.0006","90","","101.603","0.003","90","","2145.02","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O4 -","- C24 H20 N4 O4 -","- C96 H80 N16 O16 -","4","1","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0585","0.0404","","","0.0986","0.1099","","","","","","1.012","","","","has coordinates","242969","2020-10-21","18:00:00",""
"4133134","9.0474","0.0002","17.4635","0.0004","7.6236","0.0002","90","","111.407","0.001","90","","1121.42","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Zhang, Rui; Peterson, Joshua P.; Fischer, Logan J.; Ellern, Arkady; Winter, Arthur H.","Effect of Structure on the Spin-Spin Interactions of Tethered Dicyanomethyl Diradicals.","Journal of the American Chemical Society","2018","140","43","14308","14313","10.1021/jacs.8b08628","","","1.54178","CuKα","","0.0368","0.0366","","","0.0954","0.0957","","","","","","1.05","","","","has coordinates","242970","2020-10-21","18:00:00",""
"4133135","12.5991","0.0006","12.6108","0.0006","16.3357","0.0007","88.513","0.002","87.106","0.002","81.009","0.002","2559.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C64 H44 N4 O16 S8 Zn4 -","2","1","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.0795","0.0771","","","0.194","0.1955","","","","","","1.032","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133136","16.408","0.003","9.176","0.002","22.573","0.005","90","","90","","90","","3398.6","1.2","100","2","100","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.25","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.149","0.099","","","0.2366","0.2681","","","","","","1.073","","","","has coordinates","242971","2020-10-21","18:00:00",""
"4133137","8.7483","0.0007","16.381","0.0012","23.7451","0.0016","90","","90","","90","","3402.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N2 O8 S4 Zn2 -","- C32 H22 N2 O8 S4 Zn2 -","- C128 H88 N8 O32 S16 Zn8 -","4","0.5","","Zhu, Ai-Xin; Yang, Qing-Yuan; Kumar, Amrit; Crowley, Clare; Mukherjee, Soumya; Chen, Kai-Jie; Wang, Shi-Qiang; O Nolan, Daniel; Shivanna, Mohana; Zaworotko, Michael J.","Coordination Network That Reversibly Switches between Two Nonporous Polymorphs and a High Surface Area Porous Phase.","Journal of the American Chemical Society","2018","140","46","15572","15576","10.1021/jacs.8b08642","","","1.54178","CuKα","","0.1314","0.0762","","","0.172","0.2003","","","","","","1.065","","","","has coordinates,has disorder","242971","2020-10-21","18:00:00",""
"4133138","21.1019","0.0007","7.5385","0.0002","27.224","0.0008","90","","111.514","0.004","90","","4029","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Br N6 O2 -","- C20 H21 Br N6 O2 -","- C160 H168 Br8 N48 O16 -","8","2","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0466","0.0358","","","0.0862","0.0931","","","","","","1.028","","","","has coordinates","242972","2020-10-21","18:00:00",""
"4133139","16.4964","0.0002","20.5023","0.0003","5.05085","0.00007","90","","90","","90","","1708.27","0.04","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0312","0.0287","","","0.0717","0.0733","","","","","","1.056","","","","has coordinates","242973","2020-10-21","18:00:00",""
"4133140","10.1486","0.0004","10.7029","0.0005","11.017","0.0005","78.363","0.004","81.711","0.004","62.2","0.004","1035.05","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 I N6 O2 -","- C20 H21 I N6 O2 -","- C40 H42 I2 N12 O4 -","2","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0238","0.0228","","","0.0576","0.0587","","","","","","1.048","","","","has coordinates","242974","2020-10-21","18:00:00",""
"4133141","7.44527","0.00012","9.34308","0.00012","30.9935","0.0005","90","","94.8031","0.0015","90","","2148.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N5 O2 -","- C20 H17 N5 O2 -","- C80 H68 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0527","0.0513","","","0.1242","0.1249","","","","","","1.165","","","","has coordinates","242975","2020-10-21","18:00:00",""
"4133142","7.4234","0.0005","18.5015","0.001","14.8435","0.0008","90","","91.626","0.005","90","","2037.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl Li N5 O6 -","- C20 H17 Cl Li N5 O6 -","- C80 H68 Cl4 Li4 N20 O24 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.1009","0.0546","","","0.112","0.1363","","","","","","1.011","","","","has coordinates","242976","2020-10-21","18:00:00",""
"4133143","10.4474","0.0004","14.5733","0.0004","13.6575","0.0004","90","","91.382","0.003","90","","2078.79","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 I K N5 O2 -","- C20 H17 I K N5 O2 -","- C80 H68 I4 K4 N20 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0618","0.0565","","","0.1482","0.1512","","","","","","1.11","","","","has coordinates","242977","2020-10-21","18:00:00",""
"4133144","6.8614","0.0002","19.3391","0.0006","15.0522","0.0004","90","","98.006","0.003","90","","1977.86","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 I N5 Na O2 -","- C20 H17 I N5 Na O2 -","- C80 H68 I4 N20 Na4 O8 -","4","1","","Kokan, Zoran; Chmielewski, Michał J","A Photoswitchable Heteroditopic Ion-Pair Receptor.","Journal of the American Chemical Society","2018","140","47","16010","16014","10.1021/jacs.8b08689","","x-ray","1.54184","CuKα","","0.0394","0.0301","","","0.0715","0.0757","","","","","","1.004","","","","has coordinates","242978","2020-10-21","18:00:00",""
"4133145","10.536","0.002","12.415","0.002","16.43","0.003","90","","96.77","0.03","90","","2134.1","0.7","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C36 H96 Br24 N12 Pb6 -","6","3","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.137","0.0575","","","0.1332","0.1807","","","","","","0.862","","","","has coordinates","242980","2020-10-21","18:00:00",""
"4133146","6.2455","0.0004","16.8901","0.001","20.1013","0.0011","73.597","0.003","84.96","0.003","88.793","0.003","2026.2","0.2","250","2","249.96","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H48 Br10 N6 Pb2 -","- C18 H48 Br10 N6 Pb2 -","- C36 H96 Br20 N12 Pb4 -","2","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0441","0.0315","","","0.0847","0.0951","","","","","","0.971","","","","has coordinates","242981","2020-10-21","18:00:00",""
"4133147","28.452","0.006","12.218","0.002","15.839","0.003","90","","104.93","0.03","90","","5320.2","1.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H14 Br4 N2 Pb -","- C5 H14 Br4 N2 Pb -","- C80 H224 Br64 N32 Pb16 -","16","2","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0914","0.0566","","","0.1289","0.1467","","","","","","1.053","","","","has coordinates","242982","2020-10-21","18:00:00",""
"4133148","17.745","0.004","10.235","0.002","7.8299","0.0016","90","","90","","90","","1422.1","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H16 Br3.97 N2 Pb -","- C6 H16 Br3.969 N2 Pb -","- C24 H64 Br15.876 N8 Pb4 -","4","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.0559","0.0452","","","0.1156","0.1284","","","","","","1.06","","","","has coordinates,has disorder","242983","2020-10-21","18:00:00",""
"4133149","16.55","0.003","39.66","0.008","7.9623","0.0016","90","","90","0.03","90","","5226.2","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H16 Br3 N Pb -","- C7 H16 Br3 N Pb -","- C112 H256 Br48 N16 Pb16 -","16","4","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1588","0.0921","","","0.267","0.3147","","","","","","1.044","","","","has coordinates","242984","2020-10-21","18:00:00",""
"4133150","45.062","0.009","9.5432","0.0019","15.205","0.003","90","","97.92","0.03","90","","6476","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Br10 N4 Pb3 -","- C10 H28 Br10 N4 Pb3 -","- C80 H224 Br80 N32 Pb24 -","8","1","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1231","0.0662","","","0.1497","0.1736","","","","","","1.03","","","","has coordinates","242985","2020-10-21","18:00:00",""
"4133151","7.9457","0.0004","16.1647","0.0009","37.86","0.002","90","","89.999","0.001","90","","4862.7","0.4","250","2","249.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Br3 N Pb -","- C6 H14 Br3 N Pb -","- C96 H224 Br48 N16 Pb16 -","16","8","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Hadar, Ido; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Structural Diversity in White-Light-Emitting Hybrid Lead Bromide Perovskites.","Journal of the American Chemical Society","2018","140","40","13078","13088","10.1021/jacs.8b08691","","","0.71073","MoKα","","0.1117","0.05","","","0.1378","0.1639","","","","","","1.101","","","","has coordinates","242986","2020-10-21","18:00:00",""
"4133152","11.9001","0.0002","13.9565","0.0003","15.9207","0.0003","69.733","0.002","69.229","0.002","78.64","0.002","2310.95","0.09","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C44 H38 F6 N6 O2 P2 Ru S2 -","- C88 H76 F12 N12 O4 P4 Ru2 S4 -","2","1","","Woods, Joshua J.; Cao, Jian; Lippert, Alexander R.; Wilson, Justin J.","Characterization and Biological Activity of a Hydrogen Sulfide-Releasing Red Light-Activated Ruthenium(II) Complex.","Journal of the American Chemical Society","2018","140","39","12383","12387","10.1021/jacs.8b08695","","x-ray","1.54184","CuKα","","0.0498","0.0445","","","0.1211","0.1258","","","","","","1.026","","","","has coordinates","242987","2020-10-21","18:00:00",""
"4133153","14.3442","0.0006","13.0303","0.0005","21.5769","0.0009","90","","90","","90","","4032.9","0.3","223","2","223.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H52 Ba Cl N5 O14 -","- C33 H52 Ba Cl N5 O14 -","- C132 H208 Ba4 Cl4 N20 O56 -","4","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","","0.71073","MoKα","","0.0574","0.0347","","","0.0642","0.0706","","","","","","1.06","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133154","18.3741","0.00008","15.68602","0.00006","28.35948","0.00011","90","","92.4109","0.0004","90","","8166.44","0.06","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C35 H51 Ba Cl N6 O13 -","- C35 H51 Ba Cl N6 O13 -","- C280 H408 Ba8 Cl8 N48 O104 -","8","1","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.07","0.0705","","","","","","1.036","","","","has coordinates,has disorder","242988","2020-10-21","18:00:00",""
"4133155","28.8306","0.0001","21.5132","0.0001","13.926","0.0001","90","","90","","90","","8637.44","0.08","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H56 Ba N4 O21 S2 -","- C32 H56 Ba N4 O21 S2 -","- C256 H448 Ba8 N32 O168 S16 -","8","0.5","","Thiele, Nikki A.; MacMillan, Samantha N.; Wilson, Justin J.","Rapid Dissolution of BaSO<sub>4</sub> by Macropa, an 18-Membered Macrocycle with High Affinity for Ba<sup>2</sup>.","Journal of the American Chemical Society","2018","140","49","17071","17078","10.1021/jacs.8b08704","","x-ray","1.54184","CuKα","","0.0144","0.0142","","","0.0374","0.0375","","","","","","1.133","","","","has coordinates","242988","2020-10-21","18:00:00",""
"4133156","8.0992","0.0003","9.9826","0.0003","10.9592","0.0004","94.4146","0.0012","93.3668","0.0012","110.814","0.0011","822.25","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N Si -","- C19 H23 N Si -","- C38 H46 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0553","0.0404","","","0.1069","0.1144","","","","","","1.045","","","","has coordinates","242990","2020-10-21","18:00:00",""
"4133157","8.6064","0.0012","11.501","0.0017","12.8161","0.0018","71.48","0.005","71.156","0.005","69.281","0.005","1092.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N Si -","- C26 H29 N Si -","- C52 H58 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.052","0.0431","","","0.1184","0.126","","","","","","1.031","","","","has coordinates","242992","2020-10-21","18:00:00",""
"4133158","8.3674","0.0004","9.8239","0.0005","10.5168","0.0005","84.3339","0.0017","89.5971","0.0018","71.2191","0.0017","814.18","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 F N Si -","- C19 H22 F N Si -","- C38 H44 F2 N2 Si2 -","2","1","","Zhang, Jianbo; Park, Sehoon; Chang, Sukbok","Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp<sup>3</sup> and sp<sup>2</sup> C-Si Bond Formation.","Journal of the American Chemical Society","2018","140","41","13209","13213","10.1021/jacs.8b08733","","","0.71073","MoKα","","0.0409","0.0354","","","0.0907","0.0944","","","","","","1.037","","","","has coordinates","242993","2020-10-21","18:00:00",""
"4133159","17.8832","0.0019","9.1254","0.001","23.86","0.003","90","","104.659","0.0019","90","","3767","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cr2 I2 O8 Si2 -","- C24 H54 Cr2 I2 O8 Si2 -","- C96 H216 Cr8 I8 O32 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0661","0.0398","","","0.0793","0.088","","","","","","1.054","","","","has coordinates,has disorder","242995","2020-10-21","18:00:00",""
"4133160","8.3985","0.0002","12.6561","0.0004","15.8544","0.0004","90","","92.0756","0.0013","90","","1684.09","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 Cr I O3 -","- C12 H24 Cl2 Cr I O3 -","- C48 H96 Cl8 Cr4 I4 O12 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0361","0.0312","","","0.0896","0.0926","","","","","","1.07","","","","has coordinates","242996","2020-10-21","18:00:00",""
"4133161","10.496","0.0009","17.3331","0.0014","10.989","0.0009","90","","96.7186","0.0012","90","","1985.5","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H70 Cr N2 O8 Si2 -","- C30 H70 Cr N2 O8 Si2 -","- C60 H140 Cr2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0462","0.0382","","","0.0766","0.081","","","","","","1.016","","","","has coordinates","242997","2020-10-21","18:00:00",""
"4133162","13.319","0.0008","13.6739","0.0008","21.8226","0.0013","80.7633","0.0009","80.5611","0.0009","62.7355","0.0009","3468.4","0.4","100.1","","100.1","","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H111.5 Cr2 I O16 Si4 -","- C49.5 H111.5 Cr2 I O16 Si4 -","- C99 H223 Cr4 I2 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0453","0.0339","","","0.0964","0.1144","","","","","","1.132","","","","has coordinates,has disorder","242998","2020-10-21","18:00:00",""
"4133163","9.2746","0.0013","14.813","0.002","17.529","0.002","82.759","0.002","87.291","0.002","73.148","0.002","2286.3","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H73 Cr I N2 O8 Si2 -","- C33 H73 Cr I N2 O8 Si2 -","- C66 H146 Cr2 I2 N4 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0537","0.0309","","","0.068","0.0806","","","","","","1.044","","","","has coordinates","242999","2020-10-21","18:00:00",""
"4133164","27.7924","0.0018","9.4487","0.0006","42.685","0.003","90","","101.37","0.001","90","","10989.2","1.3","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C43.75 H77 Cr I2 N2 O8 Si2 -","- C350 H616 Cr8 I16 N16 O64 Si16 -","8","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0567","0.0456","","","0.1117","0.1216","","","","","","1.194","","","","has coordinates,has disorder","243000","2020-10-21","18:00:00",""
"4133165","10.4074","0.0009","15.274","0.0014","17.3686","0.0017","114.788","0.005","90.356","0.005","109.864","0.005","2321.4","0.4","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H78 Cr I O11 Si2 -","- C36 H78 Cr I O11 Si2 -","- C72 H156 Cr2 I2 O22 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1163","0.0977","","","0.2493","0.2593","","","","","","1.247","","","","has coordinates","243001","2020-10-21","18:00:00",""
"4133166","16.4739","0.0012","17.6022","0.0012","20.0801","0.0014","90","","109.305","0.0011","90","","5495.3","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C41 H87 Cl2 Cr2 I O12 Si2 -","- C164 H348 Cl8 Cr8 I4 O48 Si8 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0726","0.0439","","","0.0985","0.1152","","","","","","1.099","","","","has coordinates,has disorder","243002","2020-10-21","18:00:00",""
"4133167","13.6739","0.0004","14.7859","0.0004","19.0519","0.0005","94.5434","0.0014","107.625","0.0014","93.1097","0.0014","3647.15","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H116 Cr2 I2 O16 Si4 -","- C52 H116 Cr2 I2 O16 Si4 -","- C104 H232 Cr4 I4 O32 Si8 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0396","0.0287","","","0.0641","0.0704","","","","","","1.05","","","","has coordinates,has disorder","243003","2020-10-21","18:00:00",""
"4133168","10.0937","0.0014","11.5433","0.0016","21.451","0.003","79.581","0.003","89.987","0.003","66.108","0.003","2240.1","0.5","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H62 Cr2 I4 O8 Si2 -","- C28 H62 Cr2 I4 O8 Si2 -","- C56 H124 Cr4 I8 O16 Si4 -","2","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.0784","0.0654","","","0.1821","0.1941","","","","","","1.069","","","","has coordinates,has disorder","243004","2020-10-21","18:00:00",""
"4133169","11.379","0.002","11.659","0.002","18.521","0.004","90","","102.867","0.004","90","","2395.4","0.8","100","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C16 H40 Cl2 Cr I N4 O -","- C16 H40 Cl2 Cr I N4 O -","- C64 H160 Cl8 Cr4 I4 N16 O4 -","4","1","","Werner, Daniel; Anwander, Reiner","Unveiling the Takai Olefination Reagent via Tris( tert-butoxy)siloxy Variants.","Journal of the American Chemical Society","2018","140","43","14334","14341","10.1021/jacs.8b08739","","","0.71073","MoKα","","0.1768","0.1002","","","0.1315","0.1499","","","","","","1.131","","","","has coordinates","243005","2020-10-21","18:00:00",""
"4133170","10.5685","0.0002","13.0804","0.0003","23.2344","0.0005","80.624","0.0019","80.4638","0.0017","85.7415","0.0017","3121.54","0.12","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","- C118 H150 Cu2 K4 N26 O18 -","1","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0436","0.0374","","","0.0796","0.0834","","","","","","1.015","","","","has coordinates,has disorder","243006","2020-10-21","18:00:00",""
"4133171","10.8014","0.0003","22.6917","0.0005","24.9802","0.0006","90","","93.912","0.002","90","","6108.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cu K2 N12 O8.43 -","- C60 H76 Cu K2 N12 O8.425 -","- C240 H304 Cu4 K8 N48 O33.7 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0516","0.0371","","","0.0892","0.0966","","","","","","1.032","","","","has coordinates,has disorder","243007","2020-10-21","18:00:00",""
"4133172","10.5275","0.0003","12.676","0.0004","13.3299","0.0004","107.227","0.003","102.602","0.003","113.837","0.003","1433.19","0.11","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0375","0.031","","","0.0734","0.0769","","","","","","1.026","","","","has coordinates","243008","2020-10-21","18:00:00",""
"4133173","13.8966","0.0003","14.4757","0.0003","18.7995","0.0004","83.2946","0.0019","78.288","0.002","72.69","0.002","3528.88","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H86 Cu K2 N14 O10 -","- C64 H86 Cu K2 N14 O10 -","- C128 H172 Cu2 K4 N28 O20 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0535","0.0374","","","0.0859","0.0939","","","","","","1.023","","","","has coordinates,has disorder","243009","2020-10-21","18:00:00",""
"4133174","10.4164","0.0003","12.635","0.0003","13.0917","0.0004","115.77","0.003","91.641","0.003","114.016","0.003","1372.35","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","- C52 H60 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0326","0.0288","","","0.0705","0.0728","","","","","","1.03","","","","has coordinates","243010","2020-10-21","18:00:00",""
"4133175","14.10475","0.00017","22.8433","0.0002","17.8727","0.0002","90","","90","","90","","5758.57","0.11","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H84 Cu K2 N12 O8 -","- C48 H84 Cu K2 N12 O8 -","- C192 H336 Cu4 K8 N48 O32 -","4","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.078","0.0674","","","0.1931","0.2076","","","","","","1.092","","","","has coordinates,has disorder","243011","2020-10-21","18:00:00",""
"4133176","14.1664","0.0003","16.1836","0.0004","14.5015","0.0003","90","","98.339","0.002","90","","3289.51","0.13","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64 H84 Cu K2 N12 O8 -","- C64 H84 Cu K2 N12 O8 -","- C128 H168 Cu2 K4 N24 O16 -","2","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0363","0.0314","","","0.0653","0.0675","","","","","","1.021","","","","has coordinates,has disorder","243012","2020-10-21","18:00:00",""
"4133177","10.5273","0.0006","11.4588","0.0008","12.4511","0.0007","67.423","0.006","89.508","0.005","74.316","0.006","1327.56","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","- C44 H76 Cu K2 N12 O8 -","1","0.5","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","1.54178","CuKα","","0.0381","0.0363","","","0.0999","0.1021","","","","","","1.078","","","","has coordinates","243013","2020-10-21","18:00:00",""
"4133178","22.0617","0.0003","19.6394","0.0003","19.1538","0.0004","90","","90","","90","","8298.9","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H62 Cu K2 N10 O6 -","- C30 H62 Cu K2 N10 O6 -","- C240 H496 Cu8 K16 N80 O48 -","8","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.041","0.0324","","","0.0796","0.0846","","","","","","1.05","","","","has coordinates,has disorder","243014","2020-10-21","18:00:00",""
"4133179","23.4541","0.0005","22.9965","0.0004","20.0455","0.0005","90","","112.559","0.003","90","","9984.5","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H120 Cu2 K4 N24 O16 -","- C88 H120 Cu2 K4 N24 O16 -","- C352 H480 Cu8 K16 N96 O64 -","4","1","","Rajabimoghadam, Khashayar; Darwish, Yousef; Bashir, Umyeena; Pitman, Dylan; Eichelberger, Sidney; Siegler, Maxime A.; Swart, Marcel; Garcia-Bosch, Isaac","Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups.","Journal of the American Chemical Society","2018","140","48","16625","16634","10.1021/jacs.8b08748","","","0.71073","MoKα","","0.0521","0.0375","","","0.0867","0.0945","","","","","","1.033","","","","has coordinates,has disorder","243015","2020-10-21","18:00:00",""
"4133180","22.378","0.002","22.378","0.002","7.1487","0.0007","90","","90","","120","","3100.3","0.5","100","0.1","100","0.1","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- C42 H99 Cl6 N6 O16.5 -","- C42 H66 Cl6 N6 O16.4999 -","- C84 H132 Cl12 N12 O32.9998 -","2","0.333333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.118","0.1137","","","0.3002","0.3072","","","","","","1.372","","","","has coordinates,has disorder","243016","2020-10-21","18:00:00",""
"4133181","43.918","0.002","43.918","0.002","13.7792","0.0008","90","","90","","120","","23017","2","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H66 Cl6 I0.84 N6 -","- C42 H66 Cl6 I0.84375 N6 -","- C672 H1056 Cl96 I13.5 N96 -","16","5.33333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.2326","0.2189","","","0.4973","0.512","","","","","","2.383","","","","has coordinates,has disorder","243017","2020-10-21","18:00:00",""
"4133182","15.0781","0.0006","19.0103","0.0007","29.5991","0.0016","90","","90","","90","","8484.3","0.6","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C46 H56 Br N4 Ni -","- C46 H56 Br N4 Ni -","- C368 H448 Br8 N32 Ni8 -","8","0.25","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","1.34138","GaKα","","0.0928","0.0866","","","0.2476","0.2514","","","","","","1.136","","","","has coordinates","243018","2020-10-21","18:00:00",""
"4133183","12.6355","0.0007","8.3115","0.0005","19.5467","0.0011","90","","97.342","0.002","90","","2036","0.2","223","2","223","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H56 N4 Ni -","- C46 H56 N4 Ni -","- C92 H112 N8 Ni2 -","2","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0453","0.0379","","","0.101","0.1055","","","","","","1.076","","","","has coordinates","243019","2020-10-21","18:00:00",""
"4133184","19.6677","0.001","14.8601","0.0007","14.6996","0.0008","90","","90","","90","","4296.2","0.4","223","2","223","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H56 Br2 N4 Ni -","- C46 H56 Br2 N4 Ni -","- C184 H224 Br8 N16 Ni4 -","4","0.5","","Cao, Zhi-Chao; Xie, Si-Jun; Fang, Huayi; Shi, Zhang-Jie","Ni-Catalyzed Cross-Coupling of Dimethyl Aryl Amines with Arylboronic Esters under Reductive Conditions.","Journal of the American Chemical Society","2018","140","42","13575","13579","10.1021/jacs.8b08779","","","0.71073","","","0.0694","0.0363","","","0.0785","0.0918","","","","","","1.032","","","","has coordinates","243020","2020-10-21","18:00:00",""
"4133185","28.438","0.004","16.021","0.002","17.035","0.002","90","","116.691","0.002","90","","6934.2","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H105 Cl3 N2 O19 S2 V6 -","- C49.4994 H102.998 Cl3 N2 O19 S1.9998 V6 -","- C197.998 H411.994 Cl12 N8 O76 S7.9992 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0651","0.0516","","","0.1413","0.1509","","","","","","1.062","","","","has coordinates,has disorder","243021","2020-10-21","18:00:00",""
"4133186","10.7421","0.0015","18.328","0.003","16.454","0.002","90","","90.571","0.003","90","","3239.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H98 N2 O19 S2 V6 -","- C54 H98 N2 O19 S2 V6 -","- C108 H196 N4 O38 S4 V12 -","2","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0676","0.0428","","","0.1088","0.1141","","","","","","0.958","","","","has coordinates,has disorder","243022","2020-10-21","18:00:00",""
"4133187","25.81","0.0012","25.81","0.0014","26.8358","0.0011","90","","90","","120","","15481.8","1.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H103.6 Cl1.6 N2 O19.8 S2 V6 -","- C44 H92.248 N2 O19 S2 V6 -","- C396 H830.232 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0809","0.058","","","0.15","0.17","","","","","","1.039","","","","has coordinates,has disorder","243023","2020-10-21","18:00:00",""
"4133188","13.357","0.003","15.425","0.003","15.865","0.003","87.435","0.003","82.492","0.003","73.74","0.003","3110.9","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C44.75 H89.5 Cl1.5 F6 N2 O19 S2 V6 -","- C89.5 H179 Cl3 F12 N4 O38 S4 V12 -","2","1","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0885","0.0604","","","0.1657","0.188","","","","","","1.033","","","","has coordinates,has disorder","243024","2020-10-21","18:00:00",""
"4133189","25.7726","0.0011","25.7726","0.0011","26.9789","0.0012","90","","90","","120","","15519.3","1.2","100","2","100.15","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C48 H102 Cl4 N2 O19 S2 V6 -","- C45.138 H91.482 N2 O19 S2 V6 -","- C406.242 H823.338 N18 O171 S18 V54 -","9","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.0706","0.0552","","","0.151","0.1644","","","","","","1.048","","","","has coordinates,has disorder","243025","2020-10-21","18:00:00",""
"4133190","12.3292","0.001","24.206","0.002","23.3258","0.0019","90","","91.057","0.002","90","","6960.2","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H102 N2 O19 S2 V6 -","- C62.444 H86.298 N2 O19 S2 V6 -","- C249.776 H345.192 N8 O76 S8 V24 -","4","0.5","","Linnenberg, Oliver; Moors, Marco; Notario-Estévez, Almudena; López, Xavier; de Graaf, Coen; Peter, Sophia; Baeumer, Christoph; Waser, Rainer; Monakhov, Kirill Yu","Addressing Multiple Resistive States of Polyoxovanadates: Conductivity as a Function of Individual Molecular Redox States.","Journal of the American Chemical Society","2018","140","48","16635","16640","10.1021/jacs.8b08780","","","0.71073","MoKα","","0.1121","0.0633","","","0.1531","0.1802","","","","","","1.025","","","","has coordinates,has disorder","243026","2020-10-21","18:00:00",""
"4133191","10.7657","0.0007","11.8832","0.0009","14.3028","0.001","96.927","0.004","104.549","0.004","116.762","0.003","1522.5","0.2","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.2 H2.8 O0.8 -","- C2.2 H2.8 O0.8 -","- C66 H84 O24 -","30","15","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1555","0.0745","","","0.1324","0.1727","","","","","","1.061","","","","has coordinates","243027","2020-10-21","18:00:00",""
"4133192","8.582","0.001","9.142","0.0012","10.6911","0.0014","98.618","0.008","93.721","0.007","96.898","0.007","820.37","0.18","166","2","166","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 F O6 -","- C17 H17 F O6 -","- C34 H34 F2 O12 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.1591","0.0648","","","0.139","0.178","","","","","","1.006","","","","has coordinates,has disorder","243028","2020-10-21","18:00:00",""
"4133193","14.7312","0.0014","10.3767","0.001","15.206","0.0016","90","","90","","90","","2324.4","0.4","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H14 O6 -","- C11 H15 O6 -","- C88 H120 O48 -","8","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","","","","0.117","","","","","","","","","","","","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133194","8.1399","0.0007","8.1896","0.0006","14.1026","0.0011","77.958","0.004","87.753","0.004","61.189","0.004","803.55","0.12","150","2","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2.25 H2.5 O0.75 -","- C18 H20 O6.006 -","- C36 H40 O12.012 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.116","0.0596","","","0.1259","0.1524","","","","","","1.016","","","","has coordinates,has disorder","243030","2020-10-21","18:00:00",""
"4133195","13.5011","0.0009","6.1459","0.0004","24.3994","0.0014","90","","105.244","0.002","90","","1953.3","0.2","150","2","149.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C88 H100 N4 O28 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0838","0.0477","","","0.11","0.1285","","","","","","1.025","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133196","8.8949","0.001","9.8794","0.0009","10.4047","0.0012","114.453","0.005","98.559","0.006","94.609","0.005","812.74","0.16","150","2","149.99","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0835","0.0461","","","0.1113","0.1297","","","","","","1.055","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4133197","11.0702","0.0016","9.1717","0.0013","16.694","0.002","90","","91.027","0.003","90","","1694.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.071","0.0577","","","0.1494","0.1579","","","","","","1.059","","","","has coordinates,has disorder","243033","2020-10-21","18:00:00",""
"4133198","9.116","0.007","13.014","0.015","12.764","0.011","90","","106.22","0.07","90","","1454","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Hu, Anhua; Chen, Yilin; Guo, Jing-Jing; Yu, Na; An, Qing; Zuo, Zhiwei","Cerium-Catalyzed Formal Cycloaddition of Cycloalkanols with Alkenes through Dual Photoexcitation.","Journal of the American Chemical Society","2018","140","42","13580","13585","10.1021/jacs.8b08781","","","0.71073","MoKα","","0.0883","0.0657","","","0.1538","0.1654","","","","","","1.091","","","","has coordinates,has disorder","243034","2020-10-21","18:00:00",""
"4133199","11.39","0.002","31.815","0.006","17.352","0.003","90","","92.79","0.03","90","","6280","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C272 H224 F48 N48 O48 -","16","4","","Kim, Hyunwoo; Heo, Joon; Kim, Junho; Baik, Mu-Hyun; Chang, Sukbok","Copper-Mediated Amination of Aryl C-H Bonds with the Direct Use of Aqueous Ammonia via a Disproportionation Pathway.","Journal of the American Chemical Society","2018","140","43","14350","14356","10.1021/jacs.8b08826","","","0.67","synchrotron","","0.0477","0.0422","","","0.112","0.1159","","","","","","1.048","","","","has coordinates","243035","2020-10-21","18:00:00",""
"4133200","14.0798","0.0005","10.3541","0.0004","26.2464","0.001","90","","91.818","0.002","90","","3824.4","0.2","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C56 H46 -","- C56 H46 -","- C224 H184 -","4","0.5","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0626","0.0579","","","0.1384","0.1413","","","","","","1.084","","","","has coordinates","243037","2020-10-21","18:00:00",""
"4133201","12.8513","0.001","62.643","0.006","9.5148","0.0009","90","","90","","90","","7659.8","1.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C27 H20 O3 -","- C27 H20 O3 -","- C432 H320 O48 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0989","0.0525","","","0.097","0.125","","","","","","1.042","","","","has coordinates","243038","2020-10-21","18:00:00",""
"4133202","13.736","0.004","56.462","0.016","9.796","0.003","90","","90","","90","","7597","4","100","2","100","2","","","","","","","","2","F d d 2","F 2 -2d","43","","","","- C28 H22 -","- C28 H22 -","- C448 H352 -","16","1","","Hsieh, Ya-Chu; Wu, Cheng-Feng; Chen, Yi-Ting; Fang, Chia-Te; Wang, Chi-Shin; Li, Chia-Hsin; Chen, Liang-Yu; Cheng, Mu-Jeng; Chueh, Chu-Chen; Chou, Pi-Tai; Wu, Yao-Ting","5,14-Diaryldiindeno[2,1- f:1',2' -j]picene: A New Stable [7]Helicene with a Partial Biradical Character.","Journal of the American Chemical Society","2018","140","43","14357","14366","10.1021/jacs.8b08840","","","0.71073","MoKα","","0.0991","0.0729","","","0.1654","0.1778","","","","","","1.046","","","","has coordinates","243039","2020-10-21","18:00:00",""
"4133203","10.9292","0.0004","13.6903","0.0005","13.1466","0.0005","90","","90.262","0.003","90","","1967.03","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O2 S -","- C24 H24 O2 S -","- C96 H96 O8 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0603","0.0463","","","0.1106","0.1195","","","","","","1.043","","","","has coordinates","243040","2020-10-21","18:00:00",""
"4133204","13.9317","0.0007","11.1577","0.0004","11.7175","0.0005","90","","112.171","0.006","90","","1686.76","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0788","0.0539","","","0.1339","0.1535","","","","","","1.048","","","","has coordinates","243041","2020-10-21","18:00:00",""
"4133205","8.6308","0.0007","13.3546","0.0012","15.575","0.0014","90","","90","","90","","1795.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O4 S -","- C16 H16 F3 N O4 S -","- C64 H64 F12 N4 O16 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.1074","0.0699","","","0.1695","0.2003","","","","","","1.036","","","","has coordinates","243042","2020-10-21","18:00:00",""
"4133206","11.8908","0.0004","14.2458","0.0005","9.8084","0.0003","90","","90","","90","","1661.48","0.1","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 F3 O5 S Si -","- C12 H17 F3 O5 S Si -","- C48 H68 F12 O20 S4 Si4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.0506","0.0401","","","0.0998","0.1091","","","","","","1.072","","","","has coordinates,has disorder","243043","2020-10-21","18:00:00",""
"4133207","9.8881","0.0015","5.814","0.0009","9.7349","0.0015","90","","90","","90","","559.65","0.15","90","2","90","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C30 H24 N4 -","2","0.5","","Taniguchi, Tohru; Suzuki, Takahiro; Satoh, Haruka; Shichibu, Yukatsu; Konishi, Katsuaki; Monde, Kenji","Preparation of Carbodiimides with One-Handed Axial Chirality.","Journal of the American Chemical Society","2018","140","46","15577","15581","10.1021/jacs.8b08969","","","0.71073","MoKα","","0.0526","0.0351","","","0.0708","0.0784","","","","","","1.051","","","","has coordinates","243044","2020-10-21","18:00:00",""
"4133208","17.302","0.002","17.302","0.002","17.302","0.002","90","","90","","90","","5179.5","1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.7","synchrotron","","0.0529","0.0348","","","0.0908","0.1022","","","","","","1.052","","","","has coordinates","243045","2020-10-21","18:00:00",""
"4133209","17.3893","0.0003","17.3893","0.0003","17.3893","0.0003","90","","90","","90","","5258.31","0.16","296","2","296","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","a-ZIF-65(Zn)","","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0697","0.032","","","0.0665","0.076","","","","","","0.899","","","","has coordinates","243046","2020-10-21","18:00:00",""
"4133210","34.502","0.004","34.502","0.004","34.502","0.004","90","","90","","90","","41071","8","100","2","100","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","b-ZIF-65(Zn)","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.61","synchrotron","","0.068","0.0467","","","0.1433","0.1499","","","","","","1.069","","","","has coordinates","243047","2020-10-21","18:00:00",""
"4133211","34.6372","0.0002","34.6372","0.0002","34.6372","0.0002","90","","90","","90","","41555.5","0.4","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C12 H8 N12 O8 Zn2 -","- C12 H8 N12 O8 Zn2 -","- C576 H384 N576 O384 Zn96 -","48","1","","Choi, Yejin; Noh, Kyungkyou; Lee, Jisu; Kim, Jaheon","Porosity Properties of the Conformers of Sodalite-like Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","44","14586","14589","10.1021/jacs.8b08997","","","0.71073","MoKα","","0.0828","0.0487","","","0.12","0.1391","","","","","","1.015","","","","has coordinates","243048","2020-10-21","18:00:00",""
"4133212","12.1823","0.0003","16.0289","0.0004","13.5075","0.0003","90","","109.227","0.0014","90","","2490.47","0.11","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59 H60 Br Cl N4 O5 -","- C59 H60 Br Cl N4 O5 -","- C118 H120 Br2 Cl2 N8 O10 -","2","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0405","0.0354","","0.0918","0.089","0.0918","","","","","","1.0051","","","","has coordinates,has disorder","243049","2020-10-21","18:00:00",""
"4133213","7.4084","0.0002","13.4101","0.0005","20.1483","0.0006","90","","90","","90","","2001.68","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F3 N4 O3 -","- C20 H19 F3 N4 O3 -","- C80 H76 F12 N16 O12 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","1.54178","CuKα","","0.0271","0.0262","","0.0685","0.0677","0.0685","","","","","","0.9959","","","","has coordinates","243050","2020-10-21","18:00:00",""
"4133214","15.5144","0.0005","15.5144","0.0005","53.2848","0.0017","90","","90","","90","","12825.5","0.7","120","2","120","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","binh-02-60","","","- C53 H47 Br Cl3 N3 O2 -","- C53 H47 Br Cl3 N3 O2 -","- C424 H376 Br8 Cl24 N24 O16 -","8","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.097","0.0618","","","0.1591","0.1849","","","","","","1.025","","","","has coordinates","243051","2020-10-21","18:00:00",""
"4133215","35.1304","0.001","11.2909","0.0003","12.404","0.0004","90","","90","","90","","4920.1","0.2","120","","120","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56.91 H52.86 Br Cl N6.95 O2.55 -","- C56.906 H52.859 Br Cl N6.953 O2.547 -","- C227.624 H211.436 Br4 Cl4 N27.812 O10.188 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","0.71073","MoKα","","0.0985","0.0852","","0.216","0.2117","0.216","","","","","","1.0183","","","","has coordinates,has disorder","243052","2020-10-21","18:00:00",""
"4133216","12.846","0.0009","50.973","0.004","15.908","0.0011","90","","113.212","0.002","90","","9573.4","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Co3 N18 O6 -","- C78 H82 Co3 N18 O6 -","- C312 H328 Co12 N72 O24 -","4","0.5","","Li, Bao; Wang, Xiao-Ning; Kirchon, Angelo; Qin, Jun-Sheng; Pang, Jian-Dong; Zhuang, Gui-Lin; Zhou, Hong-Cai","Sophisticated Construction of Electronically Labile Materials: A Neutral, Radical-Rich, Cobalt Valence Tautomeric Triangle.","Journal of the American Chemical Society","2018","140","44","14581","14585","10.1021/jacs.8b09062","","","1.54178","CuKα","","0.1762","0.1224","","","0.3259","0.356","","","","","","1.262","","","","has coordinates","243053","2020-10-21","18:00:00",""
"4133217","15.759","0.0012","13.8266","0.0009","23.4425","0.0017","90","","94.27","0.004","90","","5093.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 N O3 P V -","- C56 H50 N4 O3 P V -","- C224 H200 N16 O12 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2377","0.1028","","","0.2507","0.3228","","","","","","1.017","","","","has coordinates","243054","2020-10-21","18:00:00",""
"4133218","13.07","0.004","26.267","0.009","33.074","0.011","90","","90.71","0.02","90","","11354","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 Co N O P V -","- C68 H70 Co N4 O P V -","- C544 H560 Co8 N32 O8 P8 V8 -","8","2","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.3452","0.0997","","","0.112","0.1749","","","","","","0.937","","","","has coordinates","243055","2020-10-21","18:00:00",""
"4133219","12.989","0.014","13.604","0.011","31.33","0.06","90","","92.53","0.13","90","","5531","13","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Cl4 F3 N O4 P S Si V -","- C54 H53 Cl4 F3 N4 O4 P S Si V -","- C216 H212 Cl16 F12 N16 O16 P4 S4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.4212","0.1316","","","0.2138","0.3371","","","","","","0.883","","","","has coordinates","243056","2020-10-21","18:00:00",""
"4133220","22.904","0.004","18.478","0.002","9.8154","0.0017","90","","98.016","0.009","90","","4113.5","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 F10 N4 O P V -","- C48 H30 F10 N4 O P V -","- C192 H120 F40 N16 O4 P4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2421","0.141","","","0.2652","0.29","","","","","","1.178","","","","has coordinates","243057","2020-10-21","18:00:00",""
"4133221","11.123","0.002","11.304","0.002","20.103","0.004","86.349","0.004","83.12","0.004","64.869","0.004","2271.7","0.7","99","2","99","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H39 F10 N O P Si V -","- C51 H39 F10 N4 O P Si V -","- C102 H78 F20 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.0776","0.046","","","0.0894","0.1016","","","","","","1.008","","","","has coordinates","243058","2020-10-21","18:00:00",""
"4133222","13.735","0.006","13.546","0.006","40.419","0.016","90","","92.518","0.004","90","","7513","6","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C79 H47 B Cl2 F30 N O P Si V -","- C79 H47 B Cl2 F30 N4 O P Si V -","- C316 H188 B4 Cl8 F120 N16 O4 P4 Si4 V4 -","4","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2855","0.0931","","","0.1918","0.2668","","","","","","0.938","","","","has coordinates","243059","2020-10-21","18:00:00",""
"4133223","15.851","0.003","17.848","0.004","41.744","0.01","90","","97.977","0.014","90","","11695","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C71 H62 Co F10.5 N O P V -","- C71 H62 Co F10.5 N4 O P V -","- C568 H496 Co8 F84 N32 O8 P8 V8 -","8","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.2109","0.1751","","","0.4086","0.4246","","","","","","1.202","","","","has coordinates","243060","2020-10-21","18:00:00",""
"4133224","10.07","0.008","11.163","0.009","20.61","0.018","91.307","0.018","101.044","0.018","92.562","0.017","2270","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H49 N O P Si V -","- C51 H49 N4 O P Si V -","- C102 H98 N8 O2 P2 Si2 V2 -","2","1","","Chu, Jiaxiang; Carroll, Timothy G.; Wu, Guang; Telser, Joshua; Dobrovetsky, Roman; Ménard, Gabriel","Probing Hydrogen Atom Transfer at a Phosphorus(V) Oxide Bond Using a ""Bulky Hydrogen Atom"" Surrogate: Analogies to PCET.","Journal of the American Chemical Society","2018","140","45","15375","15383","10.1021/jacs.8b09063","","","0.71073","MoKα","","0.1703","0.0728","","","0.1591","0.203","","","","","","0.952","","","","has coordinates,has disorder","243061","2020-10-21","18:00:00",""
"4133225","13.0759","0.0009","13.57","0.0011","22.569","0.0016","74.875","0.006","89.235","0.006","89.21","0.006","3865.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H67 Cl8 N -","- C99 H68 Cl8 N -","- C198 H136 Cl16 N2 -","2","1","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54184","CuKα","","0.2775","0.1169","","","0.2877","0.4086","","","","","","1.013","","","","has coordinates","243062","2020-10-21","18:00:00",""
"4133226","17.612","0.002","17.855","0.002","18.518","0.002","103.889","0.006","97.137","0.006","91.927","0.006","5597","1.1","152","2","152","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H80 O4 -","- C70 H80 O4 -","- C280 H320 O16 -","4","2","","Zeng, Wangdong; Gopalakrishna, Tullimilli Y.; Phan, Hoa; Tanaka, Takayuki; Herng, Tun Seng; Ding, Jun; Osuka, Atsuhiro; Wu, Jishan","Superoctazethrene: An Open-Shell Graphene-like Molecule Possessing Large Diradical Character but Still with Reasonable Stability.","Journal of the American Chemical Society","2018","140","43","14054","14058","10.1021/jacs.8b09075","","","1.54178","CuKα","","0.1699","0.1534","","","0.3955","0.4034","","","","","","1.078","","","","has coordinates,has disorder","243063","2020-10-21","18:00:00",""
"4133229","7.654","0.0004","17.305","0.0009","10.5413","0.0006","90","","107.269","0.002","90","","1333.28","0.13","150","0.1","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 K O -","- C13 H19 K O -","- C52 H76 K4 O4 -","4","1","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0662","0.0536","","","0.1534","0.166","","","","","","1.051","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133230","7.3832","0.0005","8.9146","0.0006","11.0651","0.0008","90","","99.998","0.002","90","","717.23","0.09","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Yb -","- C18 H18 Yb -","- C36 H36 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.055","0.0401","","","0.1127","0.1182","","","","","","1.368","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133231","7.3082","0.0004","9.0727","0.0005","11.3296","0.0006","90","","99.968","0.002","90","","739.87","0.07","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Sm -","- C18 H18 Sm -","- C36 H36 Sm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0411","0.0197","","","0.0537","0.0645","","","","","","0.99","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133232","13.5501","0.0004","12.9804","0.0004","8.9048","0.0003","90","","90","","90","","1566.23","0.09","150","0.1","150","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C34 H50 O4 Yb -","- C34 H50 O4 Yb -","- C68 H100 O8 Yb2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0209","0.0203","","","0.0516","0.0518","","","","","","1.062","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133233","21.525","0.003","22.637","0.003","14.4941","0.0019","90","","106.479","0.004","90","","6772.3","1.6","150","0.1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N7 Yb -","- C32 H39 N7 Yb -","- C256 H312 N56 Yb8 -","8","2","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0938","0.0786","","","0.1925","0.2","","","","","","1.17","","","","has coordinates","243066","2020-10-21","18:00:00",""
"4133234","7.3412","0.0005","8.8404","0.0005","11.1729","0.0007","90","","100.906","0.002","90","","712.02","0.08","150","0.1","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Tm -","- C18 H18 Tm -","- C36 H36 Tm2 -","2","0.5","","Xémard, Mathieu; Zimmer, Sébastien; Cordier, Marie; Goudy, Violaine; Ricard, Louis; Clavaguéra, Carine; Nocton, Grégory","Lanthanidocenes: Synthesis, Structure, and Bonding of Linear Sandwich Complexes of Lanthanides.","Journal of the American Chemical Society","2018","140","43","14433","14439","10.1021/jacs.8b09081","","","0.71069","MoKα","","0.0396","0.0219","","","0.056","0.0647","","","","","","0.988","","","","has coordinates,has disorder","243066","2020-10-21","18:00:00",""
"4133235","5.551","0.0003","10.2724","0.0005","27.7122","0.0013","90","","90","","90","","1580.21","0.14","146","2","146","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","C12H13N2O4S","","","- C13 H16 Cl2 N2 O4 S -","- C13 H16 Cl2 N2 O4 S -","- C52 H64 Cl8 N8 O16 S4 -","4","1","","Mavila, Sudheendran; Worrell, Brady T.; Culver, Heidi R.; Goldman, Trevor M.; Wang, Chen; Lim, Chern-Hooi; Domaille, Dylan W.; Pattanayak, Sankha; McBride, Matthew K.; Musgrave, Charles B.; Bowman, Christopher N.","Dynamic and Responsive DNA-like Polymers.","Journal of the American Chemical Society","2018","140","42","13594","13598","10.1021/jacs.8b09105","","","0.71073","MoKα","","0.0423","0.0365","","","0.0913","0.0958","","","","","","1.044","","","","has coordinates","243067","2020-10-21","18:00:00",""
"4133236","29.0474","0.0007","11.7153","0.0003","13.2128","0.0003","90","","97.585","0.0012","90","","4456.96","0.19","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C59 H80 O -","- C59 H80 O -","- C236 H320 O4 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0555","0.0435","","","0.1107","0.1166","","","","","","1.076","","","","has coordinates","243068","2020-10-21","18:00:00",""
"4133237","10.593","0.002","19.456","0.004","21.861","0.006","90","","118.01","0.02","90","","3977.7","1.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Cl9 -","- C39 H51 Cl9 -","- C156 H204 Cl36 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.212","0.0635","","","0.1124","0.1508","","","","","","0.823","","","","has coordinates,has disorder","243069","2020-10-21","18:00:00",""
"4133238","20.4549","0.0005","19.4089","0.0005","23.0083","0.0006","90","","94.7795","0.0014","90","","9102.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H76 O -","- C55.0028 H76.0038 O1.00005 -","- C440.022 H608.03 O8.0004 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.1131","0.104","","","0.2985","0.3092","","","","","","1.038","","","","has coordinates,has disorder","243070","2020-10-21","18:00:00",""
"4133239","11.3602","0.0013","21.871","0.002","32.332","0.004","90","","90","","90","","8033.2","1.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H33 Cl -","- C26 H33 Cl -","- C416 H528 Cl16 -","16","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1192","0.0694","","","0.1367","0.1575","","","","","","1.028","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4133240","13.8958","0.0005","14.0534","0.0005","14.3343","0.0005","77.366","0.0014","70.7236","0.0013","78.8692","0.0014","2556.05","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C140 H108 O2 -","- C140 H108 O2 -","- C140 H108 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0709","0.0481","","","0.1046","0.1149","","","","","","1.042","","","","has coordinates,has disorder","243072","2020-10-21","18:00:00",""
"4133241","10.086","0.002","34.47","0.007","9.927","0.002","90","","94.27","0.03","90","","3441.7","1.2","190","2","190","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Br -","- C37 H51 Br -","- C148 H204 Br4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.082","0.0455","","","0.1103","0.126","","","","","","0.973","","","","has coordinates,has disorder","243073","2020-10-21","18:00:00",""
"4133242","15.5467","0.0015","15.551","0.0015","20.3357","0.0019","69.259","0.003","86.608","0.003","81.081","0.003","4542.2","0.8","101","2","101","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H76 -","- C55 H76 -","- C220 H304 -","4","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.1266","0.0909","","","0.2416","0.2663","","","","","","1.06","","","","has coordinates,has disorder","243074","2020-10-21","18:00:00",""
"4133243","10.1775","0.0004","34.3842","0.0014","9.6944","0.0004","90","","95.3263","0.0013","90","","3377.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl -","- C36.9988 H50.9983 Cl -","- C147.995 H203.993 Cl4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0621","0.0506","","","0.1237","0.1301","","","","","","1.065","","","","has coordinates,has disorder","243075","2020-10-21","18:00:00",""
"4133244","18.4517","0.001","38.562","0.002","11.4056","0.0006","90","","90","","90","","8115.5","0.7","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C26 H33 I -","- C26 H33 I -","- C416 H528 I16 -","16","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0187","0.0183","","","0.041","0.0411","","","","","","1.23","","","","has coordinates","243076","2020-10-21","18:00:00",""
"4133245","23.5536","0.001","13.4374","0.0005","21.2696","0.0008","90","","97.976","0.003","90","","6666.7","0.5","173","0.1","173","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 O2 -","- C74 H102 O2 -","- C296 H408 O8 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","x-ray","1.54184","CuKα","","0.1109","0.0813","","","0.2304","0.2667","","","","","","1.068","","","","has coordinates,has disorder","243077","2020-10-21","18:00:00",""
"4133246","11.5417","0.0006","6.9746","0.0004","24.1738","0.0013","90","","93.308","0.002","90","","1942.72","0.18","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 -","- C26 H34 -","- C104 H136 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0631","0.0604","","","0.1424","0.144","","","","","","1.15","","","","has coordinates","243078","2020-10-21","18:00:00",""
"4133247","14.0036","0.0005","30.433","0.0011","18.9714","0.0007","90","","111.484","0.0014","90","","7523.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0718","0.0517","","","0.1163","0.1262","","","","","","1.035","","","","has coordinates,has disorder","243079","2020-10-21","18:00:00",""
"4133248","14.2696","0.0008","37.998","0.002","14.4381","0.0008","90","","95.9972","0.0019","90","","7785.7","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C43 H64 O -","- C43 H64 O -","- C344 H512 O8 -","8","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0861","0.0615","","","0.132","0.1422","","","","","","1.077","","","","has coordinates,has disorder","243080","2020-10-21","18:00:00",""
"4133249","23.2294","0.0011","23.2294","0.0011","10.0567","0.0005","90","","90","","120","","4699.6","0.4","100","2","100","2","","","","","","","","2","P 3","P 3","143","","","","- C37 H52 -","- C37 H52 -","- C222 H312 -","6","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0967","0.0801","","","0.2068","0.221","","","","","","1.046","","","","has coordinates,has disorder","243081","2020-10-21","18:00:00",""
"4133250","12.6525","0.0005","9.5748","0.0004","17.5463","0.0007","90","","109.533","0.0014","90","","2003.31","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0545","0.045","","","0.1144","0.1203","","","","","","1.017","","","","has coordinates","243082","2020-10-21","18:00:00",""
"4133251","25.9425","0.0018","15.1325","0.001","25.2819","0.0017","90","","103.379","0.0019","90","","9655.7","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C114 H158 O3 -","- C114 H158 O3 -","- C456 H632 O12 -","4","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0686","0.0631","","","0.1626","0.1668","","","","","","1.087","","","","has coordinates,has disorder","243083","2020-10-21","18:00:00",""
"4133252","20.4052","0.0016","18.9266","0.0014","23.252","0.0017","90","","93.788","0.002","90","","8960.3","1.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C110 H151 -","- C110.018 H151.025 -","- C440.072 H604.1 -","4","1","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0857","0.0663","","","0.1679","0.1827","","","","","","1.029","","","","has coordinates,has disorder","243084","2020-10-21","18:00:00",""
"4133253","11.309","0.0005","13.9251","0.0006","14.1513","0.0006","119.435","0.0014","91.4672","0.0018","97.0346","0.0017","1916.74","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C110 H78 O2 -","- C110 H78 O2 -","- C110 H78 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.063","0.0482","","","0.1133","0.1208","","","","","","1.038","","","","has coordinates","243085","2020-10-21","18:00:00",""
"4133254","16.1705","0.0017","16.7215","0.0017","17.0809","0.0017","96.565","0.004","110.299","0.004","111.443","0.004","3875","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C200 H240 O2 -","- C200 H240 O2 -","- C200 H240 O2 -","1","0.5","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","0.71073","MoKα","","0.0768","0.0527","","","0.1215","0.1338","","","","","","1.026","","","","has coordinates,has disorder","243086","2020-10-21","18:00:00",""
"4133255","11.8324","0.0005","11.8564","0.0004","12.4505","0.0005","93.443","0.002","91.068","0.002","105.257","0.002","1681","0.11","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","- C70 H72 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0756","0.0527","","","0.1293","0.1418","","","","","","1.04","","","","has coordinates,has disorder","243087","2020-10-21","18:00:00",""
"4133256","17.8845","0.0007","15.4597","0.0006","25.0685","0.0009","90","","97.972","0.003","90","","6864.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H78 N8 O10 -","- C75 H78 N8 O10 -","- C300 H312 N32 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1598","0.0834","","","0.2202","0.2633","","","","","","1.037","","","","has coordinates","243088","2020-10-21","18:00:00",""
"4133257","13.6519","0.0008","15.7069","0.0009","17.7443","0.001","90","","93.209","0.003","90","","3798.9","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C84 H86 N2 O11 -","- C84 H86 N2 O11 -","- C168 H172 N4 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1113","0.1025","","","0.3437","0.3583","","","","","","1.632","","","","has coordinates,has disorder","243089","2020-10-21","18:00:00",""
"4133258","11.8762","0.0005","12.101","0.0005","12.2447","0.0005","90.885","0.001","92.499","0.002","103.131","0.002","1711.51","0.12","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","- C70 H75 N3 O11 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0869","0.0818","","","0.3078","0.32","","","","","","1.507","","","","has coordinates,has disorder","243090","2020-10-21","18:00:00",""
"4133259","11.551","0.0008","16.7298","0.0011","17.9121","0.0012","90","","94.897","0.003","90","","3448.8","0.4","150","2","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C70 H72 N4 O11 -","- C70 H72 N4 O11 -","- C140 H144 N8 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0679","0.0568","","","0.1514","0.1589","","","","","","1.044","","","","has coordinates","243091","2020-10-21","18:00:00",""
"4133260","11.6938","0.0008","12.648","0.001","13.6896","0.0009","111.697","0.004","112.056","0.005","96.412","0.004","1668.2","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.1289","0.1086","","","0.3536","0.3736","","","","","","1.56","","","","has coordinates,has disorder","243092","2020-10-21","18:00:00",""
"4133261","11.9576","0.001","12.13","0.001","12.1777","0.001","91.122","0.004","92.4","0.003","103.052","0.004","1718.4","0.2","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","- C69 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","x-ray","1.54178","CuKα","","0.0618","0.0577","","","0.1515","0.1548","","","","","","1.042","","","","has coordinates,has disorder","243093","2020-10-21","18:00:00",""
"4133262","14.1297","0.0004","15.4771","0.0005","17.635","0.0005","90.663","0.001","94.291","0.001","113.283","0.001","3528.98","0.18","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N6 O11 -","- C82 H88 N6 O11 -","- C164 H176 N12 O22 -","2","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0516","0.0474","","","0.1249","0.1286","","","","","","1.031","","","","has coordinates","243094","2020-10-21","18:00:00",""
"4133263","16.721","0.007","16.773","0.008","25.853","0.015","90","","100.627","0.017","90","","7126","6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H91 N7 O10 -","- C86 H91 N7 O10 -","- C344 H364 N28 O40 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0891","0.0746","","","0.1919","0.2052","","","","","","1.025","","","","has coordinates,has disorder","243095","2020-10-21","18:00:00",""
"4133264","11.8886","0.0006","12.0858","0.0006","12.2579","0.0006","91.892","0.002","90.473","0.002","103.736","0.002","1709.72","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","- C70 H74 N2 O12 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0573","0.0489","","","0.1262","0.1318","","","","","","1.059","","","","has coordinates,has disorder","243096","2020-10-21","18:00:00",""
"4133265","13.286","0.003","20.911","0.004","12.852","0.003","90","","75.33","0.03","90","","3454.2","1.4","148","2","148.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C69 H71 N3 O11 -","- C69 H69 N3 O11 -","- C138 H138 N6 O22 -","2","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0832","0.0779","","","0.2269","0.2327","","","","","","1.089","","","","has coordinates,has disorder","243097","2020-10-21","18:00:00",""
"4133266","11.856","0.0005","11.8594","0.0005","12.5172","0.0005","89.974","0.002","86.799","0.002","73.599","0.002","1685.52","0.12","150","","150.01","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","- C70 H70 N4 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0492","0.044","","","0.1125","0.1167","","","","","","1.036","","","","has coordinates,has disorder","243098","2020-10-21","18:00:00",""
"4133267","11.9332","0.0006","12.1357","0.0006","12.1476","0.0006","92.363","0.003","103.597","0.003","90.206","0.003","1708.27","0.15","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","- C70 H77 N3 O10 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.0859","0.065","","","0.1636","0.1767","","","","","","1.046","","","","has coordinates,has disorder","243099","2020-10-21","18:00:00",""
"4133268","11.6154","0.0005","12.7648","0.0005","13.8417","0.0006","112.66","0.003","111.734","0.003","96.511","0.002","1678.92","0.14","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","- C69 H72 N2 O13 -","1","0.5","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1383","0.1113","","","0.3102","0.3342","","","","","","1.076","","","","has coordinates,has disorder","243100","2020-10-21","18:00:00",""
"4133269","17.764","0.0006","15.6487","0.0006","24.7929","0.0009","90","","92.274","0.002","90","","6886.6","0.4","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N4 O10 S2 -","- C72 H72 N4 O10 S2 -","- C288 H288 N16 O40 S8 -","4","1","","Yao, Huan; Ke, Hua; Zhang, Xiaobin; Pan, San-Jiang; Li, Ming-Shuang; Yang, Liu-Pan; Schreckenbach, Georg; Jiang, Wei","Molecular Recognition of Hydrophilic Molecules in Water by Combining the Hydrophobic Effect with Hydrogen Bonding.","Journal of the American Chemical Society","2018","140","41","13466","13477","10.1021/jacs.8b09157","","","1.54178","CuKα","","0.1025","0.0827","","","0.2361","0.2562","","","","","","1.022","","","","has coordinates,has disorder","243101","2020-10-21","18:00:00",""
"4133270","27.11","0.003","21.353","0.003","60.606","0.007","90","","91.001","0.006","90","","35078","7","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C273 H281 Ag43 Cl2 P4 S25 -","- C273 H281 Ag43 Cl2 P4 S25 -","- C1092 H1124 Ag172 Cl8 P16 S100 -","4","1","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1151","0.0781","","","0.2364","0.2537","","","","","","1.084","","","","has coordinates","243102","2020-10-21","18:00:00",""
"4133271","22.9163","0.0008","23.0825","0.0008","23.4244","0.0008","112.218","0.002","97.802","0.002","116.569","0.002","9538.5","0.7","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C352 H354 Ag45.98 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","- C352 H354 Ag45.978 Cl4 O6 P8 S26 -","1","0.5","","Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou","A Unique Pair: Ag<sub>40</sub> and Ag<sub>46</sub> Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.","Journal of the American Chemical Society","2018","140","46","15582","15585","10.1021/jacs.8b09162","","","0.71073","MoKα","","0.1564","0.082","","","0.2062","0.2665","","","","","","1.015","","","","has coordinates","243103","2020-10-21","18:00:00",""
"4133272","7.4991","0.0003","16.1174","0.0006","9.0582","0.0004","90","","96.884","0.004","90","","1086.94","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H23 B F4 N2 O -","- C25 H23 B F4 N2 O -","- C50 H46 B2 F8 N4 O2 -","2","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0369","0.0337","","","0.0858","0.0885","","","","","","1.044","","","","has coordinates","243104","2020-10-21","18:00:00",""
"4133273","8.9313","0.0003","12.0973","0.0005","12.7783","0.0005","90","","90","","90","","1380.63","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0308","0.0281","","","0.0765","0.0793","","","","","","1.003","","","","has coordinates","243105","2020-10-21","18:00:00",""
"4133274","10.5827","0.0007","13.954","0.001","17.8701","0.001","104.664","0.005","105.533","0.005","104.296","0.006","2315.2","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H64 Co N4 O5 -","- C52 H64 Co N4 O5 -","- C104 H128 Co2 N8 O10 -","2","1","","Paquette, Michelle M.; Plaul, Daniel; Kurimoto, Aiko; Patrick, Brian O.; Frank, Natia L.","Opto-Spintronics: Photoisomerization-Induced Spin State Switching at 300 K in Photochrome Cobalt-Dioxolene Thin Films.","Journal of the American Chemical Society","2018","140","44","14990","15000","10.1021/jacs.8b09190","","","1.54178","CuKα","","0.1732","0.0764","","","0.1424","0.1716","","","","","","1.03","","","","has coordinates","243106","2020-10-21","18:00:00",""
"4133275","10.6434","0.0014","11.5563","0.0014","15.779","0.002","101.439","0.003","98.369","0.004","104.009","0.003","1807","0.4","149","2","149","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H50 Au N3 -","- C43 H50 Au N3 -","- C86 H100 Au2 N6 -","2","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0298","0.0215","","","0.0426","0.0444","","","","","","1.067","","","","has coordinates","243107","2020-10-21","18:00:00",""
"4133276","17.1108","0.0008","10.1518","0.0005","23.0061","0.0011","90","","94.888","0.002","90","","3981.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Au F3 N3 O -","- C44 H51 Au F3 N3 O -","- C176 H204 Au4 F12 N12 O4 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0736","0.0495","","","0.1075","0.1182","","","","","","1.055","","","","has coordinates,has disorder","243108","2020-10-21","18:00:00",""
"4133277","7.3969","0.0004","22.2469","0.0011","20.6523","0.001","90","","98.442","0.001","90","","3361.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Au F2 N3 -","- C39 H40 Au F2 N3 -","- C156 H160 Au4 F8 N12 -","4","1","","Tang, Man-Chung; Leung, Ming-Yi; Lai, Shiu-Lun; Ng, Maggie; Chan, Mei-Yee; Wing-Wah Yam, Vivian","Realization of Thermally Stimulated Delayed Phosphorescence in Arylgold(III) Complexes and Efficient Gold(III) Based Blue-Emitting Organic Light-Emitting Devices.","Journal of the American Chemical Society","2018","140","40","13115","13124","10.1021/jacs.8b09205","","","0.71073","MoKα","","0.0317","0.0277","","","0.0684","0.0707","","","","","","1.036","","","","has coordinates","243109","2020-10-21","18:00:00",""
"4133278","5.3608","0.0003","7.6509","0.0004","8.9401","0.0006","93.728","0.006","94.854","0.005","105.912","0.004","349.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(Methanesulfonyl)peroxide","(((Methylsulfonyl)peroxy)sulfonyl)methane","","- C2 H6 O6 S2 -","- C2 H6 O6 S2 -","- C4 H12 O12 S4 -","2","1","","Börgel, Jonas; Tanwar, Lalita; Berger, Florian; Ritter, Tobias","Late-Stage Aromatic C-H Oxygenation.","Journal of the American Chemical Society","2018","140","47","16026","16031","10.1021/jacs.8b09208","","","0.71073","MoKα","","0.0366","0.0304","","","0.0788","0.0831","","","","","","1.044","","","","has coordinates","243110","2020-10-21","18:00:00",""
"4133279","10.1535","0.0002","18.4694","0.0005","21.3666","0.0005","90","","93.9442","0.0011","90","","3997.37","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 B F15 Ge Hf Si2 -","- C40 H34 B F15 Ge Hf Si2 -","- C160 H136 B4 F60 Ge4 Hf4 Si8 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0419","0.0265","","","0.0544","0.0593","","","","","","1.005","","","","has coordinates","243111","2020-10-21","18:00:00",""
"4133280","25.1613","0.0006","12.6112","0.0003","36.1806","0.0009","90","","91.2732","0.0013","90","","11477.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 B F20 Ge Hf Si2 -","- C60 H50 B F20 Ge Hf Si2 -","- C480 H400 B8 F160 Ge8 Hf8 Si16 -","8","2","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.0869","0.0458","","","0.0813","0.0919","","","","","","1.031","","","","has coordinates,has disorder","243112","2020-10-21","18:00:00",""
"4133281","9.2339","0.0004","19.4522","0.0009","16.5267","0.0008","90","","98.7615","0.0014","90","","2933.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Si -","- C34 H48 Si -","- C136 H192 Si4 -","4","1","","Dong, Zhaowen; Cramer, Hanna H.; Schmidtmann, Marc; Paul, Lucas A.; Siewert, Inke; Müller, Thomas","Evidence for a Single Electron Shift in a Lewis Acid-Base Reaction.","Journal of the American Chemical Society","2018","140","45","15419","15424","10.1021/jacs.8b09214","","","0.71073","MoKα","","0.065","0.0507","","","0.1355","0.1447","","","","","","1.078","","","","has coordinates,has disorder","243113","2020-10-21","18:00:00",""
"4133282","8.3958","0.0004","9.7344","0.0005","18.4678","0.0009","90","","90","","90","","1509.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","0.71073","MoKα","","0.0464","0.0399","","","0.0936","0.1009","","","","","","1.026","","","","has coordinates","243114","2020-10-21","18:00:00",""
"4133283","14.1079","0.0008","20.7305","0.0013","32.5579","0.0019","90","","90","","90","","9522","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C344 H396 B8 Cl48 Cu8 F32 N16 O36 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","1.54184","CuKα","","0.0991","0.0766","","","0.201","0.2353","","","","","","1.038","","","","has coordinates,has disorder","243115","2020-10-21","18:00:00",""
"4133284","25.154","0.002","11.917","0.0009","15.3471","0.0011","90","","98.553","0.007","90","","4549.3","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H55 B Ge K O7 P -","- C49 H55 B Ge K O7 P -","- C196 H220 B4 Ge4 K4 O28 P4 -","4","0.5","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.1347","0.0767","","","0.1954","0.2087","","","","","","1.103","","","","has coordinates,has disorder","243116","2020-10-21","18:00:00",""
"4133285","6.4177","0.0003","28.9354","0.0015","25.7657","0.0014","90","","92.35","0.002","90","","4780.6","0.4","423","2","423","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20.67 Cl2 O P Ru -","- C13 H20.6667 Cl2 O P Ru -","- C156 H248 Cl24 O12 P12 Ru12 -","12","3","","Szkop, Kevin M.; Jupp, Andrew R.; Stephan, Douglas W.","P, P-Dimethylformylphosphine: The Phosphorus Analogue of N, N-Dimethylformamide.","Journal of the American Chemical Society","2018","140","40","12751","12755","10.1021/jacs.8b09266","","","0.71073","MoKα","","0.0428","0.0375","","","0.0778","0.0796","","","","","","1.172","","","","has coordinates,has disorder","243117","2020-10-21","18:00:00",""
"4133286","11.0864","0.0007","12.6716","0.0008","23.6012","0.0015","86.285","0.003","76.55","0.003","68.456","0.003","2998.6","0.3","100","2","100.01","","","","","","","","","10","P -1","-P 1","2","","","","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C68 H69 B Cl Fe N2 O P Pt S2 -","- C136 H138 B2 Cl2 Fe2 N4 O2 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0591","0.0525","","","0.1172","0.1203","","","","","","1.097","","","","has coordinates","243118","2020-10-21","18:00:00",""
"4133287","17.862","0.004","9.0804","0.0018","15.254","0.003","90","","99.06","0.03","90","","2443.2","0.9","100","2","99.94","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl4 Fe N2 Pt S -","- C22 H24 Cl4 Fe N2 Pt S -","- C88 H96 Cl16 Fe4 N8 Pt4 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0384","0.0281","","","0.0539","0.0569","","","","","","0.986","","","","has coordinates,has disorder","243119","2020-10-21","18:00:00",""
"4133288","11.8881","0.0004","9.8041","0.0004","18.9098","0.0008","90","","94.289","0.002","90","","2197.81","0.15","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 B2 F8 Fe N2 S -","- C20 H21 B2 F8 Fe N2 S -","- C80 H84 B8 F32 Fe4 N8 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0942","0.0713","","","0.16","0.1698","","","","","","1.159","","","","has coordinates,has disorder","243120","2020-10-21","18:00:00",""
"4133289","17.6572","0.0008","11.1718","0.0004","9.4143","0.0006","90","","98.445","0.004","90","","1836.95","0.16","100","2","100.09","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl Fe N2 O0.5 S -","- C20 H22 Cl Fe N2 O0.5 S -","- C80 H88 Cl4 Fe4 N8 O2 S4 -","4","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0782","0.0499","","","0.0812","0.089","","","","","","1.051","","","","has coordinates","243121","2020-10-21","18:00:00",""
"4133290","9.755","0.002","10.735","0.003","20.825","0.005","88.803","0.006","79.374","0.007","79.79","0.006","2109.3","0.9","100","2","100.02","","","","","","","","","10","P -1","-P 1","2","","","","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C41 H41 B2 Cl2 F8 Fe N2 P Pt S2 -","- C82 H82 B4 Cl4 F16 Fe2 N4 P2 Pt2 S4 -","2","1","","Cheng, Ho Fung; d'Aquino, Andrea I; Barroso-Flores, Joaquín; Mirkin, Chad A.","A Redox-Switchable, Allosteric Coordination Complex.","Journal of the American Chemical Society","2018","140","44","14590","14594","10.1021/jacs.8b09321","","","0.71073","MoKα","","0.0364","0.0305","","","0.079","0.0808","","","","","","1.063","","","","has coordinates","243122","2020-10-21","18:00:00",""
"4133291","9.981","0.0005","10.8463","0.0005","9.8571","0.0005","103.871","0.003","103.223","0.003","95.421","0.004","995.85","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Mn2 N12 W -","- C14 H8 Mn2 N12 W -","- C28 H16 Mn4 N24 W2 -","2","1","","Magott, Michał; Reczyński, Mateusz; Gaweł, Bartłomiej; Sieklucka, Barbara; Pinkowicz, Dawid","A Photomagnetic Sponge: High-Temperature Light-Induced Ferrimagnet Controlled by Water Sorption.","Journal of the American Chemical Society","2018","140","46","15876","15882","10.1021/jacs.8b09322","powder diffraction","x-ray","1.5418","CoKα","","0.0299","0.0296","","0.0363","0.0363","","","","1.83","","","","","","","has coordinates","243123","2020-10-21","18:00:00",""
"4133292","12.8769","0.0001","20.105","0.0002","25.9848","0.0003","86.853","0.001","84.592","0.001","89.208","0.001","6686.91","0.12","150.01","0.11","150.01","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C66 H72 B F24 P2 Rh -","- C66 H72 B F24 P2 Rh -","- C264 H288 B4 F96 P8 Rh4 -","4","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0494","0.0421","","","0.1046","0.1102","","","","","","1.038","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133293","19.5269","0.0002","34.2076","0.0004","20.0095","0.0002","90","","94.0077","0.0009","90","","13333","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 B F24 P2 Rh -","- C66 H70 B F24 P2 Rh -","- C528 H560 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0519","0.0393","","","0.0991","0.107","","","","","","1.028","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133294","19.0717","0.0001","17.8106","0.0001","19.8381","0.0001","90","","92.228","0.001","90","","6733.48","0.06","149.9","0.4","149.9","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 B F24 P2 Rh -","- C66 H74 B F24 P2 Rh -","- C264 H296 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0357","0.0328","","","0.0859","0.0884","","","","","","1.056","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133295","19.4403","0.0002","17.1515","0.0002","20.2397","0.0002","90","","92.845","0.001","90","","6740.21","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H74 B F24 P2 Rh -","- C67 H74 B F23.994 P2 Rh -","- C268 H296 B4 F95.976 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0405","0.0392","","","0.1004","0.1015","","","","","","1.045","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133296","18.9278","0.001","18.8687","0.0006","19.0357","0.0005","90","","92.417","0.003","90","","6792.4","0.5","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 B F24 P2 Rh -","- C67 H78 B F24 P2 Rh -","- C268 H312 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.0971","0.0727","","","0.2135","0.2393","","","","","","1.096","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133297","19.47695","0.00014","17.24051","0.00012","20.25038","0.00014","90","","94.11","0.0007","90","","6782.44","0.08","149.9","0.3","149.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 B F24 P2 Rh -","- C67 H72 B F24 P2 Rh -","- C268 H288 B4 F96 P8 Rh4 -","4","0.5","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0538","0.0513","","","0.1354","0.1382","","","","","","1.058","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133298","19.0032","0.00012","18.02691","0.00011","20.0666","0.00011","90","","92.2234","0.0006","90","","6869.02","0.07","150","0.4","150","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H76 B F24 P2 Rh -","- C67 H76 B F24 P2 Rh -","- C268 H304 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0425","0.0388","","","0.1024","0.1067","","","","","","1.032","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133299","19.707","0.0004","34.3875","0.0008","20.3368","0.0004","90","","94.0465","0.0018","90","","13747.4","0.5","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H76 B F24 P2 Rh -","- C68 H76 B F24 P2 Rh -","- C544 H608 B8 F192 P16 Rh8 -","8","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.117","0.0834","","","0.2148","0.2329","","","","","","0.938","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133300","20.2541","0.0005","17.6079","0.0003","79.0504","0.0015","90","","96.729","0.002","90","","27997.7","1","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C68 H74 B F24 P2 Rh -","- C68 H74 B F24 P2 Rh -","- C1088 H1184 B16 F384 P32 Rh16 -","16","2","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0613","0.0533","","","0.1447","0.1538","","","","","","1.034","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133301","20.6397","0.0007","17.8","0.0005","77.042","0.002","90","","94.612","0.003","90","","28212.6","1.4","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C136 H154 B2 F48 P4 Rh2 -","- C136 H154 B2 F48 P4 Rh2 -","- C1088 H1232 B16 F384 P32 Rh16 -","8","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","","0.6889","synchrotron","","0.2238","0.158","","","0.3934","0.4456","","","","","","1.459","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133302","13.7187","0.0001","16.7165","0.0001","29.163","0.0002","90","","93.382","0.001","90","","6676.26","0.08","150","0.4","150","0.4","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 B Cl2 F24 P2 Rh -","- C62 H68 B Cl2 F24 P2 Rh -","- C248 H272 B4 Cl8 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.04","0.0372","","","0.0991","0.102","","","","","","1.029","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133303","14.3089","0.0001","17.4465","0.0002","27.6835","0.0002","90","","94.654","0.001","90","","6888.13","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 B F24 P2 Rh -","- C69 H78 B F23.994 P2 Rh -","- C276 H312 B4 F95.976 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.0407","0.0368","","","0.0984","0.1018","","","","","","1.016","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133304","14.4218","0.0003","17.6642","0.0006","27.4924","0.0005","90","","94.5641","0.0018","90","","6981.5","0.3","149.99","0.16","149.99","0.16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78.98 B F24 P2 Rh -","- C69 H78.9771 B F24 P2 Rh -","- C276 H315.908 B4 F96 P8 Rh4 -","4","1","","Martínez-Martínez, Antonio J; Tegner, Bengt E.; McKay, Alasdair I.; Bukvic, Alexander J.; Rees, Nicholas H.; Tizzard, Graham J.; Coles, Simon J.; Warren, Mark R.; Macgregor, Stuart A.; Weller, Andrew S.","Modulation of σ-Alkane Interactions in [Rh(L<sub>2</sub>)(alkane)]<sup>+</sup> Solid-State Molecular Organometallic (SMOM) Systems by Variation of the Chelating Phosphine and Alkane: Access to η<sup>2</sup>,η<sup>2</sup>-σ-Alkane Rh(I), η<sup>1</sup>-σ-Alkane Rh(III) Complexes, and Alkane Encapsulation.","Journal of the American Chemical Society","2018","140","44","14958","14970","10.1021/jacs.8b09364","","x-ray","1.54184","CuKα","","0.1197","0.0961","","","0.2751","0.2992","","","","","","1.057","","","","has coordinates,has disorder","243125","2020-10-21","18:00:00",""
"4133305","25.7941","0.0007","7.4589","0.0002","20.1543","0.0006","90","","90.743","0.003","90","","3877.27","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 B F4 N -","- C24 H20 B F4 N -","- C192 H160 B8 F32 N8 -","8","1","","Karim, Alavi; Schulz, Nils; Andersson, Hanna; Nekoueishahraki, Bijan; Carlsson, Anna-Carin C; Sarabi, Daniel; Valkonen, Arto; Rissanen, Kari; Gräfenstein, Jürgen; Keller, Sandro; Erdélyi, Máté","Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally.","Journal of the American Chemical Society","2018","140","50","17571","17579","10.1021/jacs.8b09367","","","1.54184","CuKα","","0.1164","0.1142","","","0.3662","0.3671","","","","","","1.14","","","","has coordinates","243126","2020-10-21","18:00:00",""
"4133306","15.571","0.003","9.728","0.002","16.373","0.004","90","","100.123","0.008","90","","2441.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F3 N4 O4 -","- C27 H24 F3 N4 O4 -","- C108 H96 F12 N16 O16 -","4","1","","Basnet, Prakash; Kc, Shekhar; Dhungana, Roshan K.; Shrestha, Bijay; Boyle, Timothy J.; Giri, Ramesh","Synergistic Bimetallic Ni/Ag and Ni/Cu Catalysis for Regioselective γ,δ-Diarylation of Alkenyl Ketimines: Addressing β-H Elimination by in Situ Generation of Cationic Ni(II) Catalysts.","Journal of the American Chemical Society","2018","140","46","15586","15590","10.1021/jacs.8b09401","","","0.71073","MoKα","","0.1836","0.0697","","","0.163","0.2188","","","","","","0.941","","","","has coordinates","243127","2020-10-21","18:00:00",""
"4133307","11.5281","0.0003","9.2306","0.0002","30.703","0.0007","90","","96.237","0.001","90","","3247.81","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H40 Br N3 O3 -","- C33 H40 Br N3 O3 -","- C132 H160 Br4 N12 O12 -","4","2","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0614","0.0337","","","0.0654","0.0757","","","","","","1.01","","","","has coordinates","243128","2020-10-21","18:00:00",""
"4133308","11.1116","0.0014","10.1824","0.0013","12.4713","0.0016","90","","101.661","0.003","90","","1381.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl N3 O3 -","- C31 H30 Cl N3 O3 -","- C62 H60 Cl2 N6 O6 -","2","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0441","0.0394","","","0.0956","0.0992","","","","","","1.043","","","","has coordinates","243129","2020-10-21","18:00:00",""
"4133309","5.5125","0.0001","13.5718","0.0003","14.9","0.0003","90","","90","","90","","1114.74","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","1.54178","CuKα","","0.0341","0.0334","","","0.0887","0.0898","","","","","","1.102","","","","has coordinates","243130","2020-10-21","18:00:00",""
"4133310","5.3565","0.0005","22.187","0.002","23.89","0.002","90","","90","","90","","2839.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 F N3 O4 -","- C32 H32 F N3 O4 -","- C128 H128 F4 N12 O16 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0635","0.0436","","","0.0917","0.0996","","","","","","1.006","","","","has coordinates","243131","2020-10-21","18:00:00",""
"4133311","7.1275","0.0002","13.5886","0.0004","8.1305","0.0002","90","","97.048","0.001","90","","781.51","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0442","0.0353","","","0.0925","0.0987","","","","","","1.057","","","","has coordinates","243132","2020-10-21","18:00:00",""
"4133312","25.8059","0.0005","11.555","0.0002","8.0141","0.0002","90","","93.927","0.001","90","","2384.09","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H10 N12 O7 -","- C3 H10 N12 O7 -","- C24 H80 N96 O56 -","8","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.043","0.0397","","","0.0941","0.097","","","","","","1.066","","","","has coordinates,has disorder","243133","2020-10-21","18:00:00",""
"4133313","10.3002","0.0005","5.9834","0.0003","11.2693","0.0006","90","","90.942","0.002","90","","694.44","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C12 H8 N32 O8 -","4","1","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","0.71073","MoKα","","0.0489","0.0388","","","0.106","0.1138","","","","","","1.02","","","","has coordinates","243134","2020-10-21","18:00:00",""
"4133314","8.289","0.0004","12.021","0.0005","12.4452","0.0006","64.042","0.002","84.743","0.003","81.763","0.003","1102.88","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H10 N12 O5 -","- C3 H10 N12 O5 -","- C12 H40 N48 O20 -","4","2","","Hu, Lu; Yin, Ping; Zhao, Gang; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Gao, Haixiang; Shreeve, Jean'ne M.","Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials.","Journal of the American Chemical Society","2018","140","44","15001","15007","10.1021/jacs.8b09519","","","1.54178","CuKα","","0.0923","0.067","","","0.149","0.163","","","","","","1.064","","","","has coordinates","243135","2020-10-21","18:00:00",""
"4133315","16.0554","0.001","6.2996","0.0004","14.4609","0.0009","90","","106.151","0.004","90","","1404.89","0.16","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Li, Man-Bo; Inge, A. Ken; Posevins, Daniels; Gustafson, Karl P. J.; Qiu, Youai; Bäckvall, Jan-E","Chemodivergent and Diastereoselective Synthesis of γ-Lactones and γ-Lactams: A Heterogeneous Palladium-Catalyzed Oxidative Tandem Process.","Journal of the American Chemical Society","2018","140","44","14604","14608","10.1021/jacs.8b09562","","","1.54178","CuKα","","0.2342","0.0825","","","0.1466","0.1964","","","","","","0.965","","","","has coordinates","243136","2020-10-21","18:00:00",""
"4133316","21.728","","21.728","","21.728","","90","","90","","90","","10257.9","","120","","120","","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C216 H244 Cl4 Co4 F72 N76 O16 P12 -","- C120 H100 Cl4 Co4 F72 N28 O16 P12 -","- C240 H200 Cl8 Co8 F144 N56 O32 P24 -","2","0.0833333","","Burke, Benjamin P.; Grantham, William; Burke, Michael J.; Nichol, Gary S.; Roberts, David; Renard, Isaline; Hargreaves, Rebecca; Cawthorne, Christopher; Archibald, Stephen J.; Lusby, Paul J.","Visualizing Kinetically Robust Co<sup>III</sup><sub>4</sub>L<sub>6</sub> Assemblies in Vivo: SPECT Imaging of the Encapsulated [<sup>99m</sup>Tc]TcO<sub>4</sub><sup>-</sup> Anion.","Journal of the American Chemical Society","2018","140","49","16877","16881","10.1021/jacs.8b09582","","x-ray","1.54178","CuKα","","0.1452","0.1451","","","0.3653","0.3656","","","","","","1.976","","","","has coordinates,has disorder","243137","2020-10-21","18:00:00",""
"4133317","32.5979","0.0005","32.5979","0.0005","32.5979","0.0005","90","","90","","90","","34639.3","0.9","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-68-Me","","","- C2.62 H1.38 O0.67 Zr0.12 -","- C2.625 H1.375 O0.666667 Zr0.125 -","- C504 H264 O128 Zr24 -","192","1","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.71073","MoKα","","0.0853","0.0735","","","0.2011","0.2195","","","","","","1.092","","","","has coordinates,has disorder","243138","2020-10-21","18:00:00",""
"4133318","32.0319","0.0007","32.0319","0.0007","32.0319","0.0007","90","","90","","90","","32866.1","1.2","100","2","100","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","UiO-68-Cu","","","- C90 H78 Cu3 N6 O22 Zr3 -","- C90 H78 Cu3 N6 O22 Zr3 -","- C720 H624 Cu24 N48 O176 Zr24 -","8","0.0833333","","Tan, Chunxia; Han, Xing; Li, Zijian; Liu, Yan; Cui, Yong","Controlled Exchange of Achiral Linkers with Chiral Linkers in Zr-Based UiO-68 Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","47","16229","16236","10.1021/jacs.8b09606","","","0.82654","synchrotron","","0.0819","0.0737","","","0.209","0.2172","","","","","","1.087","","","","has coordinates,has disorder","243139","2020-10-21","18:00:00",""
"4133319","6.261","0.0007","7.4076","0.0008","24.242","0.002","90","","90","","90","","1124.3","0.2","175","","175","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","1.54178","CuKα","","0.0261","0.0261","","","0.0678","0.0679","","","","","","1.092","","","","has coordinates","243140","2020-10-21","18:00:00",""
"4133320","6.3854","0.0018","6.702","0.002","25.222","0.005","90","","90","","90","","1079.4","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0262","0.021","","","0.0533","0.0542","","","","","","1.025","","","","has coordinates","243141","2020-10-21","18:00:00",""
"4133321","5.7304","0.0006","8.3275","0.0007","10.4712","0.0008","90","","92.034","0.003","90","","499.37","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br O2 S -","- C10 H9 Br O2 S -","- C20 H18 Br2 O4 S2 -","2","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0175","0.0163","","","0.0408","0.0412","","","","","","0.859","","","","has coordinates","243142","2020-10-21","18:00:00",""
"4133322","17.0065","0.0004","17.0065","0.0004","21.4575","0.0006","90","","90","","90","","6206","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C51.5 H70 F24 Mo2 O11 -","- C51.5 H70 F24 Mo2 O11 -","- C206 H280 F96 Mo8 O44 -","4","0.5","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0446","0.0396","","","0.0847","0.0869","","","","","","1.173","","","","has coordinates,has disorder","243143","2020-10-21","18:00:00",""
"4133323","11.0925","0.0007","15.0304","0.001","34.812","0.003","90","","90.062","0.002","90","","5804","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H76 Mo O5 Si2 -","- C62 H76 Mo O5 Si2 -","- C248 H304 Mo4 O20 Si8 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0506","0.0458","","","0.1139","0.1162","","","","","","1.21","","","","has coordinates,has disorder","243144","2020-10-21","18:00:00",""
"4133324","31.9462","0.0016","11.8211","0.0006","27.6304","0.0014","90","","104.247","0.001","90","","10113.4","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Mo O4 -","- C56 H58 Mo O4 -","- C448 H464 Mo8 O32 -","8","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0415","0.035","","","0.0821","0.0853","","","","","","1.123","","","","has coordinates,has disorder","243145","2020-10-21","18:00:00",""
"4133325","21.5299","0.0019","23.117","0.002","11.3996","0.001","90","","90","","90","","5673.7","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H40 F36 Mo2 O11 -","- C44 H40 F36 Mo2 O11 -","- C176 H160 F144 Mo8 O44 -","4","1","","Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter","Syntheses of Molybdenum Oxo Benzylidene Complexes.","Journal of the American Chemical Society","2018","140","42","13609","13613","10.1021/jacs.8b09616","","","0.71073","MoKα","","0.0533","0.0478","","","0.1105","0.1134","","","","","","1.13","","","","has coordinates,has disorder","243146","2020-10-21","18:00:00",""
"4133326","25.8755","0.0002","23.2023","0.0002","17.0251","0.0001","90","","92.263","0.001","90","","10213.4","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H54 Cl0.5 Cs F0.5 N4 O7 -","- C51.2 H54 Cl0.4 Cs F0.5 N4 O7.1 -","- C409.6 H432 Cl3.2 Cs8 F4 N32 O56.8 -","8","2","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.8","synchrotron","","0.0821","0.0774","","","0.2378","0.2411","","","","","","1.324","","","","has coordinates,has disorder","243147","2020-10-21","18:00:00",""
"4133327","14.248","0.002","18.85","0.003","18.471","0.002","90","","111.445","0.009","90","","4617.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 N4 O7 -","- C54 H60 N4 O7 -","- C216 H240 N16 O28 -","4","1","","Chi, Xiaodong; Peters, Gretchen M.; Brockman, Chandler; Lynch, Vincent M.; Sessler, Jonathan L.","Controlling Structure Beyond the Initial Coordination Sphere: Complexation-Induced Reversed Micelle Formation in Calix[4]pyrrole-Containing Diblock Copolymers.","Journal of the American Chemical Society","2018","140","41","13219","13222","10.1021/jacs.8b09620","","","0.71073","MoKα","","0.1846","0.0884","","","0.1672","0.2039","","","","","","1.019","","","","has coordinates,has disorder","243148","2020-10-21","18:00:00",""
"4133328","19.007","0.005","10.872","0.004","27.409","0.008","90","","102.88","0.02","90","","5521","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H32.08 N O4.54 S2 -","- C31.5 H32.0751 N O4.53755 S2 -","- C252 H256.601 N8 O36.3004 S16 -","8","2","","Hu, Xiaoran; McFadden, Molly E.; Barber, Ross W.; Robb, Maxwell J.","Mechanochemical Regulation of a Photochemical Reaction.","Journal of the American Chemical Society","2018","140","43","14073","14077","10.1021/jacs.8b09628","","","0.71073","MoKα","","0.0527","0.0378","","","0.0958","0.1054","","","","","","1.051","","","","has coordinates,has disorder","243149","2020-10-21","18:00:00",""
"4133329","16.2363","0.0006","22.6153","0.001","29.9087","0.0012","90","","94.639","0.002","90","","10946.2","0.8","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 DMF-solvate","","","- C414 H422 Cd24 N122 O26 -","- C402 H394 Cd24 N118 O22 -","- C402 H394 Cd24 N118 O22 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.7288","synchrotron","","0.0782","0.0596","","","0.1412","0.1508","","","","","","1.115","","","","has coordinates,has disorder","243150","2020-10-21","18:00:00",""
"4133330","14.7241","0.0007","21.4248","0.001","17.2433","0.0007","90","","113.366","0.002","90","","4993.5","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdIF-13 CH2Cl2-solvate","","","- C178 H140 Cd12 Cl20 N48 -","- C176 H136 Cd12 Cl16 N48 -","- C176 H136 Cd12 Cl16 N48 -","1","0.25","","McGuirk, C. Michael; Runčevski, Tomče; Oktawiec, Julia; Turkiewicz, Ari; Taylor, Mercedes K.; Long, Jeffrey R.","Influence of Metal Substitution on the Pressure-Induced Phase Change in Flexible Zeolitic Imidazolate Frameworks.","Journal of the American Chemical Society","2018","140","46","15924","15933","10.1021/jacs.8b09631","","","0.8856","synchrotron","","0.08","0.0592","","","0.1495","0.1635","","","","","","1.067","","","","has coordinates","243151","2020-10-21","18:00:00",""
"4133331","5.9715","0.0004","34.571","0.002","9.5588","0.0007","90","","100.25","0.007","90","","1941.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.7107","MoKα","","0.0946","0.0478","","","0.1028","0.1133","","","","","","0.863","","","","has coordinates","243152","2020-10-21","18:00:00",""
"4133332","8.9219","0.001","5.6293","0.0007","17.187","0.002","90","","103.268","0.004","90","","840.16","0.17","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.054","0.0431","","","0.1028","0.1086","","","","","","1.049","","","","has coordinates","243153","2020-10-21","18:00:00",""
"4133333","15.1384","0.0007","16.8907","0.0008","7.8396","0.0004","90","","115.744","0.0012","90","","1805.6","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O4 -","- C23 H22 O4 -","- C92 H88 O16 -","4","0.5","","Cañellas, Santiago; Montgomery, John; Pericàs, Miquel À","Nickel-Catalyzed Reductive [2+2] Cycloaddition of Alkynes.","Journal of the American Chemical Society","2018","140","50","17349","17355","10.1021/jacs.8b09677","","","0.71073","MoKα","","0.0502","0.0395","","","0.1068","0.1136","","","","","","1.059","","","","has coordinates","243154","2020-10-21","18:00:00",""
"4133334","7.75079","0.00004","17.50986","0.00009","18.79506","0.00009","90","","90","","90","","2550.78","0.02","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O3 Si -","- C26 H43 N O3 Si -","- C104 H172 N4 O12 Si4 -","4","1","","Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.","Total Synthesis of (-)-Mitrephorone A.","Journal of the American Chemical Society","2018","140","48","16704","16710","10.1021/jacs.8b09685","","x-ray","1.54184","CuKα","","0.0274","0.0271","","","0.0707","0.071","","","","","","1.042","","","","has coordinates","243155","2020-10-21","18:00:00",""
"4133349","22.8468","0.0011","5.9484","0.0003","18.8992","0.0009","90","","106.705","0.001","90","","2460","0.2","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O2 -","- C29 H33 N3 O2 -","- C116 H132 N12 O8 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Huynh, Mioy T.; Goings, Joshua J.; Liddell, Paul A.; Groy, Thomas L.; Gervaldo, Miguel; Sereno, Leónides E; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays.","Journal of the American Chemical Society","2018","140","45","15450","15460","10.1021/jacs.8b09724","","","0.71073","MoKα","","0.0579","0.0492","","","0.1225","0.1276","","","","","","1.1","","","","has coordinates","243170","2020-10-21","18:00:00",""
"4133350","9.3556","0.0006","23.2292","0.0017","16.8874","0.0013","90","","105.518","0.008","90","","3536.2","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H61 I Th -","- C35 H61 I Th -","- C140 H244 I4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0545","0.0441","","","0.0976","0.1031","","","","","","1.051","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133351","10.6013","0.0002","31.8019","0.0006","15.7364","0.0003","90","","94.685","0.002","90","","5287.67","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H93 P Th -","- C58 H93 P Th -","- C232 H372 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0527","0.0458","","","0.1089","0.1127","","","","","","1.109","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133352","14.5566","0.0002","25.565","0.0005","15.0749","0.0002","90","","92.616","0.001","90","","5604.12","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H92 P S2 Th -","- C59 H92 P S2 Th -","- C236 H368 P4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.057","0.0489","","","0.1127","0.1175","","","","","","1.087","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133353","11.7105","0.0004","14.3546","0.0006","27.5103","0.0009","90","","93.334","0.003","90","","4616.6","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H63 N S2 Th -","- C41 H63 N S2 Th -","- C164 H252 N4 S8 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0731","0.0589","","","0.152","0.1639","","","","","","1.099","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133354","21.8176","0.0002","10.7827","0.0001","27.5783","0.0003","90","","90","","90","","6487.87","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C68 H116 S2 Th2 -","- C68 H116 S2 Th2 -","- C272 H464 S8 Th8 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.03","0.0261","","","0.0489","0.0509","","","","","","1.024","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133355","10.323","0.0007","28.5977","0.0014","18.6295","0.0011","90","","100.592","0.006","90","","5406","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H92 N P Th -","- C59 H92 N P Th -","- C236 H368 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.088","0.0697","","","0.1737","0.1866","","","","","","1.082","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133356","10.3818","0.0003","28.7489","0.0012","18.6498","0.0006","90","","96.834","0.003","90","","5526.8","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H98 N P Th -","- C59 H98 N P Th -","- C236 H392 N4 P4 Th4 -","4","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","0.71073","MoKα","","0.0977","0.0763","","","0.1387","0.1471","","","","","","1.273","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133357","10.5187","0.0004","11.0949","0.0004","25.1635","0.0009","78.722","0.003","85.304","0.003","76.16","0.003","2794.46","0.18","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H99 N P Th -","- C60 H99 N P Th -","- C120 H198 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0447","0.0388","","","0.0869","0.0905","","","","","","1.026","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133358","15.8047","0.0004","18.1652","0.0004","24.3339","0.0006","89.366","0.002","84.928","0.002","64.381","0.002","6271.8","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C132 H194 N4 P2 Th2 -","- C132 H194 N4 P2 Th2 -","- C264 H388 N8 P4 Th4 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0962","0.0876","","","0.211","0.2143","","","","","","1.174","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133359","11.1972","0.0002","20.3586","0.0004","28.01","0.0005","90","","100.882","0.002","90","","6270.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C138 H200 N4 P2 Th2 -","- C138 H200 N4 P2 Th2 -","- C276 H400 N8 P4 Th4 -","2","0.5","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0372","0.0292","","","0.0655","0.0696","","","","","","1.017","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133360","12.4141","0.0003","14.2991","0.0004","18.8879","0.0004","99.847","0.002","97.762","0.002","96.856","0.002","3238.1","0.14","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C66 H97 N2 P Th -","- C66 H97 N2 P Th -","- C132 H194 N4 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0719","0.0596","","","0.152","0.1604","","","","","","1.081","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133361","12.8472","0.0008","13.0939","0.0007","21.1147","0.0012","85.562","0.004","74.609","0.005","63.017","0.006","3047.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H105 N P Si Th -","- C65 H105 N P Si Th -","- C130 H210 N2 P2 Si2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0437","0.0399","","","0.0923","0.0942","","","","","","1.124","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133362","10.769","0.0004","15.6072","0.0004","19.4589","0.0005","77.538","0.002","83.282","0.002","75.504","0.003","3084.95","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H107 N P Th -","- C68 H107 N P Th -","- C136 H214 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.0667","0.0591","","","0.151","0.1566","","","","","","1.061","","","","has coordinates,has disorder","243171","2020-10-21","18:00:00",""
"4133363","13.3682","0.0004","14.9534","0.0005","16.5128","0.0005","105.788","0.003","90.91","0.002","94.865","0.002","3162.33","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C61 H96 N P Th -","- C61 H96 N P Th -","- C122 H192 N2 P2 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.027","0.0252","","","0.0546","0.0559","","","","","","1.019","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133364","14.5978","0.0008","18.9744","0.001","19.2277","0.001","101.751","0.004","90.019","0.004","99.921","0.005","5132.7","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H87 N4 P Th -","- C52 H87 N4 P Th -","- C208 H348 N16 P4 Th4 -","4","2","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","x-ray","1.54184","CuKα","","0.102","0.0842","","","0.2139","0.2295","","","","","","1.022","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133365","10.625","0.008","12.002","0.01","20.851","0.017","100.631","0.015","90.727","0.014","115.77","0.013","2340","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 N2 Th -","- C50 H74 N2 Th -","- C100 H148 N4 Th2 -","2","1","","Zhang, Congcong; Hou, Guohua; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","A Base-Free Terminal Actinide Phosphinidene Metallocene: Synthesis, Structure, Reactivity, and Computational Studies.","Journal of the American Chemical Society","2018","140","43","14511","14525","10.1021/jacs.8b09746","","","0.71073","MoKα","","0.0749","0.047","","","0.1023","0.1183","","","","","","1.06","","","","has coordinates","243171","2020-10-21","18:00:00",""
"4133376","27.7428","0.0006","12.2385","0.0002","25.2788","0.0005","90","","102.219","0.002","90","","8388.5","0.3","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H110 Al2 N4 O8 W -","- C90.5 H110 Al2 N4 O8 W -","- C362 H440 Al8 N16 O32 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","0.71073","MoKα","","0.0597","0.0376","","","0.0715","0.0791","","","","","","1.027","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133377","15.3318","0.0003","21.4894","0.0003","21.5498","0.0003","90","","92.4806","0.0014","90","","7093.4","0.2","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 Al2 N4 O9 W -","- C74 H90 Al2 N4 O9 W -","- C296 H360 Al8 N16 O36 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.061","0.0422","","","0.1017","0.1149","","","","","","1","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133378","17.8441","0.0009","19.0576","0.0005","22.2871","0.0008","90","","92.815","0.004","90","","7569.9","0.5","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H94 Al2 N4 O10 W -","- C78.994 H93.994 Al2 N4 O10 W -","- C315.976 H375.976 Al8 N16 O40 W4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.0679","0.0525","","","0.1364","0.1463","","","","","","1.03","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133379","36.7014","0.0009","15.0966","0.0004","28.7796","0.0009","90","","111.273","0.003","90","","14859.3","0.8","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77.5 H94 Al2 N4 O10 W -","- C77.5 H94 Al2 N4 O10 W -","- C620 H752 Al16 N32 O80 W8 -","8","2","","Kong, Richard Y.; Crimmin, Mark R.","Carbon Chain Growth by Sequential Reactions of CO and CO<sub>2</sub> with [W(CO)<sub>6</sub>] and an Aluminum(I) Reductant.","Journal of the American Chemical Society","2018","140","42","13614","13617","10.1021/jacs.8b09761","","x-ray","1.54184","CuKα","","0.1049","0.071","","","0.1773","0.1965","","","","","","1.047","","","","has coordinates,has disorder","243182","2020-10-21","18:00:00",""
"4133380","24.246","0.006","15.3192","0.0014","24.56","0.006","90","","119.55","0.03","90","","7936","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MOS-1","","","- Br3 Mo3 S10 -","- Br3 Mo3 S10 -","- Br24 Mo24 S80 -","8","2","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.91165","synchrotron","","0.2033","0.1687","","","0.4416","0.4714","","","","","","1.268","","","","has coordinates,has disorder","243183","2020-10-21","18:00:00",""
"4133381","24.8186","0.0016","21.5751","0.0016","33.513","0.002","90","","106.853","0.002","90","","17174","2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 Mo6 N6 O18 S8 -","- C54 H36 Mo6 N6 O18 S8 -","- C432 H288 Mo48 N48 O144 S64 -","8","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.71073","MoKα","","0.0749","0.0487","","","0.1166","0.1261","","","","","","1.046","","","","has coordinates","243184","2020-10-21","18:00:00",""
"4133382","12.4938","0.0005","42.4264","0.0017","22.2065","0.001","90","","90","","90","","11770.9","0.9","100","","100","","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C60 H126 Br10 Mo6 N6 S18 -","- C60 H126 Br10 Mo6 N6 S18 -","- C240 H504 Br40 Mo24 N24 S72 -","4","0.25","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","1.54178","CuKα","","0.1392","0.1048","","","0.2558","0.2766","","","","","","1.07","","","","has coordinates","243185","2020-10-21","18:00:00",""
"4133383","30.418","0.018","12.37","0.008","21.063","0.013","90","","90","","90","","7925","8","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H5.5 Br6 Mo6 S20 -","- C9 H5 Br6 Mo6 S20 -","- C36 H20 Br24 Mo24 S80 -","4","1","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1253","0.0517","","","0.0894","0.1099","","","","","","0.823","","","","has coordinates","243186","2020-10-21","18:00:00",""
"4133384","32.877","0.005","32.877","0.005","32.877","0.005","90","","90","","90","","35537","9","100","","100","","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C144 H144 Mo24 N24 O150 S32 Zn6 -","- C288 H288 Mo48 N48 O300 S64 Zn12 -","2","0.0208333","","Ji, Zhe; Trickett, Christopher; Pei, Xiaokun; Yaghi, Omar M.","Linking Molybdenum-Sulfur Clusters for Electrocatalytic Hydrogen Evolution.","Journal of the American Chemical Society","2018","140","42","13618","13622","10.1021/jacs.8b09807","","","0.7749","synchrotron","","0.1557","0.1228","","","0.3652","0.431","","","","","","1.928","","","","has coordinates","243187","2020-10-21","18:00:00",""
"4133385","27.657","0.0007","7.6139","0.0003","35.2089","0.0013","90","","100.653","0.003","90","","7286.4","0.4","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","helically twisted kekulene 1","dinaphtho[1'',2'':6,7;1''',2''':6',7']diphenanthro[3,2-a:2',3'-j]anthracene","","- C57.26 H37.26 O0.26 -","- C57.263 H37.263 O0.263 -","- C458.104 H298.104 O2.104 -","8","1","","Nakakuki, Yusuke; Hirose, Takashi; Matsuda, Kenji","Synthesis of a Helical Analogue of Kekulene: A Flexible π-Expanded Helicene with Large Helical Diameter Acting as a Soft Molecular Spring.","Journal of the American Chemical Society","2018","140","45","15461","15469","10.1021/jacs.8b09825","","","0.71073","MoKα","","0.1024","0.0644","","","0.1702","0.1938","","","","","","1.042","","","","has coordinates,has disorder","243188","2020-10-21","18:00:00",""
"4133386","5.5819","0.0002","9.2612","0.0003","12.4359","0.0005","79.19","0.001","86.826","0.001","86.365","0.001","629.58","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.1112","0.0605","","","0.1308","0.1533","","","","","","1.019","","","","has coordinates","243189","2020-10-21","18:00:00",""
"4133387","7.9989","0.0003","8.2629","0.0003","11.7753","0.0004","75.035","0.002","78.866","0.002","84.766","0.002","737.03","0.05","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C36 H34 N6 -","2","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.0949","0.0525","","","0.1188","0.1371","","","","","","1.035","","","","has coordinates","243190","2020-10-21","18:00:00",""
"4133388","23.609","0.0009","10.8697","0.0004","15.2722","0.0006","90","","106.999","0.002","90","","3748","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C152 H168 N24 O24 S8 -","8","1","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","1.54178","CuKα","","0.1161","0.0863","","","0.2173","0.2456","","","","","","1.045","","","","has coordinates","243191","2020-10-21","18:00:00",""
"4133389","5.451","0.004","39.24","0.03","7.731","0.006","90","","95.806","0.008","90","","1645","2","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","2","","Ren, Yansong; Xie, Sheng; Svensson Grape, Erik; Inge, A. Ken; Ramström, Olof","Multistimuli-Responsive Enaminitrile Molecular Switches Displaying H<sup>+</sup>-Induced Aggregate Emission, Metal Ion-Induced Turn-On Fluorescence, and Organogelation Properties.","Journal of the American Chemical Society","2018","140","42","13640","13643","10.1021/jacs.8b09843","","","0.71073","MoKα","","0.2465","0.1365","","","0.2978","0.3255","","","","","","1.504","","","","has coordinates","243192","2020-10-21","18:00:00",""
"4133390","16.555","0.0013","11.7095","0.0002","17.7899","0.0014","90","","90","","90","","3448.6","0.4","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H29 Li N2 Ni -","- C16 H29 Li N2 Ni -","- C128 H232 Li8 N16 Ni8 -","8","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates","276364","2022-06-28","17:43:35",""
"4133391","10.5241","0.0013","18.135","0.002","17.197","0.002","90","","107.478","0.002","90","","3130.6","0.6","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Li2 Ni O4 -","- C32 H56 Li2 Ni O4 -","- C128 H224 Li8 Ni4 O16 -","4","1","","Nattmann, Lukas; Lutz, Sigrid; Ortsack, Pascal; Goddard, Richard; Cornella, Josep","A Highly Reduced Ni-Li-Olefin Complex for Catalytic Kumada-Corriu Cross-Couplings.","Journal of the American Chemical Society","2018","140","42","13628","13633","10.1021/jacs.8b09849","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","276364","2022-06-28","17:43:35",""
"4133392","9.5716","0.0004","9.5716","0.0004","64.226","0.003","90","","90","","90","","5884.1","0.4","200","1","200","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C36 H31 Ge N O2 -","- C36 H31 Ge N O2 -","- C288 H248 Ge8 N8 O16 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0318","0.0307","","","0.0773","0.078","","","","","","1.065","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133393","10.4058","0.0003","20.8929","0.0007","13.6211","0.0005","90","","111.976","0.002","90","","2746.16","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Ge N O2 -","- C34 H29 Ge N O2 -","- C136 H116 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0334","0.0255","","","0.0635","0.0674","","","","","","1.021","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133394","11.7444","0.0005","15.9338","0.0008","32.3292","0.0016","90","","92.83","0.003","90","","6042.5","0.5","200","1","200","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Ge N O3 Si -","- C30 H37 Ge N O3 Si -","- C240 H296 Ge8 N8 O24 Si8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0558","0.0455","","","0.1239","0.1319","","","","","","1.031","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133395","11.4162","0.0003","16.8675","0.0005","24.7995","0.0007","90","","96.907","0.002","90","","4740.8","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 F3 Ge N O2 -","- C26 H24 F3 Ge N O2 -","- C208 H192 F24 Ge8 N8 O16 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0561","0.0333","","","0.0716","0.0787","","","","","","1.006","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133396","11.0689","0.0002","17.7248","0.0003","16.4657","0.0003","90","","90.862","0.001","90","","3230.11","0.1","200","2","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Ge N O2 -","- C39 H33 Ge N O2 -","- C156 H132 Ge4 N4 O8 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0555","0.0385","","","0.0936","0.1016","","","","","","1.075","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133397","21.4118","0.0005","12.0493","0.0002","39.1926","0.0008","90","","90","","90","","10111.6","0.4","200","1","200","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C52 H52 Cl4 Ge2 N2 O4 Zn -","- C416 H416 Cl32 Ge16 N16 O32 Zn8 -","8","2","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0726","0.0486","","","0.1156","0.126","","","","","","1.023","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133398","13.4291","0.0006","17.2102","0.0008","23.7226","0.0012","90","","90","","90","","5482.7","0.4","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C216 H224 Cl16 Ge8 N8 O16 Zn4 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0776","0.0628","","","0.1609","0.1732","","","","","","1.04","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133399","16.3298","0.0009","12.8553","0.0007","28.1785","0.0016","90","","97.582","0.002","90","","5863.6","0.6","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H35 Ge O3 P -","- C32 H35 Ge O3 P -","- C256 H280 Ge8 O24 P8 -","8","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","0.71073","MoKα","","0.0338","0.0273","","","0.0653","0.0683","","","","","","1.05","","","","has coordinates","243195","2020-10-21","18:00:00",""
"4133400","6.6811","0.0015","8.3367","0.0018","13.932","0.003","92.589","0.007","97.506","0.007","93.047","0.007","767.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","Mn(4-mercaptomethyl-2,2'-bipyridine)(CO)3Br","","- C14 H10 Br Mn N2 O3 S -","- C14 H10 Br Mn N2 O3 S -","- C28 H20 Br2 Mn2 N4 O6 S2 -","2","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","x-ray","0.71073","MoKα","","0.1085","0.0619","","","0.1211","0.137","","","","","","1.0647","","","","has coordinates","243197","2020-10-21","18:00:00",""
"4133401","10.5295","0.0006","12.7123","0.0008","11.9526","0.0008","90","","98.859","0.002","90","","1580.82","0.17","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Re(4-methylthio-2,2'-bipyridine)(CO)3Cl","","- C14 H10 Cl N2 O3 Re S -","- C14 H10 Cl N2 O3 Re S -","- C56 H40 Cl4 N8 O12 Re4 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0491","0.0447","","","0.1066","0.1099","","","","","","1.0015","","","","has coordinates","243198","2020-10-21","18:00:00",""
"4133402","7.0306","0.0005","10.251","0.0007","12.9104","0.001","90","","101.624","0.004","90","","911.38","0.12","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 S -","- C10 H8 N2 S -","- C40 H32 N8 S4 -","4","1","","Clark, Melissa L.; Ge, Aimin; Videla, Pablo E.; Rudshteyn, Benjamin; Miller, Christopher J.; Song, Jia; Batista, Victor S.; Lian, Tianquan; Kubiak, Clifford P.","CO<sub>2</sub> Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields.","Journal of the American Chemical Society","2018","140","50","17643","17655","10.1021/jacs.8b09852","","","0.71073","MoKα","","0.0526","0.0377","","","0.0827","0.0893","","","","","","1.0365","","","","has coordinates","243199","2020-10-21","18:00:00",""
"4133403","11.4372","0.0006","11.5112","0.0007","20.7806","0.0017","95.647","0.006","103.837","0.006","90.081","0.005","2642.7","0.3","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0583","0.0554","","","0.1401","0.142","","","","","","1.053","","","","has coordinates,has disorder","243200","2020-10-21","18:00:00",""
"4133404","11.3719","0.0002","19.8321","0.0004","12.1517","0.0002","90","","107.788","0.002","90","","2609.54","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H84 Si8 Sn -","- C36 H84 Si8 Sn -","- C72 H168 Si16 Sn2 -","2","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0359","0.0342","","","0.0871","0.0879","","","","","","1.036","","","","has coordinates","243201","2020-10-21","18:00:00",""
"4133405","12.5863","0.0003","16.2257","0.0004","20.9657","0.0006","90","","100.864","0.003","90","","4204.91","0.19","99.9","0.4","99.9","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H63 K Si6 Sn -","- C27 H63 K Si6 Sn -","- C108 H252 K4 Si24 Sn4 -","4","1","","Koby, Ross F.; Hanusa, Timothy P.; Schley, Nathan D.","Mechanochemically Driven Transformations in Organotin Chemistry: Stereochemical Rearrangement, Redox Behavior, and Dispersion-Stabilized Complexes.","Journal of the American Chemical Society","2018","140","46","15934","15942","10.1021/jacs.8b09862","","x-ray","1.54184","CuKα","","0.0678","0.0577","","","0.1308","0.1381","","","","","","1.045","","","","has coordinates,has disorder","243202","2020-10-21","18:00:00",""
"4133406","9.3269","0.0004","18.8579","0.001","9.8275","0.0004","90","","101.531","0.005","90","","1693.63","0.14","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 I O3 S -","- C34 H23 I O3 S -","- C68 H46 I2 O6 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0508","0.0371","","","0.0692","0.0752","","","","","","0.978","","","","has coordinates","243203","2020-10-21","18:00:00",""
"4133407","7.6112","0.0002","9.4733","0.0002","32.0728","0.0009","90","","90","","90","","2312.55","0.1","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0443","0.0338","","","0.0583","0.0621","","","","","","1.04","","","","has coordinates","243204","2020-10-21","18:00:00",""
"4133408","9.5781","0.0003","12.2304","0.0004","23.1878","0.0008","90","","90","","90","","2716.31","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0688","0.0462","","","0.0915","0.1002","","","","","","0.996","","","","has coordinates","243205","2020-10-21","18:00:00",""
"4133409","9.1728","0.0004","20.333","0.0007","9.8676","0.0003","90","","100.761","0.004","90","","1808.05","0.12","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H32 Cl I O5 S -","- C39 H32 Cl I O5 S -","- C78 H64 Cl2 I2 O10 S2 -","2","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0473","0.0373","","","0.0739","0.0794","","","","","","1.056","","","","has coordinates","243206","2020-10-21","18:00:00",""
"4133410","25.7743","0.0009","16.3541","0.0005","28.9052","0.001","90","","92.161","0.004","90","","12175.3","0.7","250.2","0.3","250.2","0.3","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C352 H180 Co12 P12 Te16 -","- C349.76 H180 Co12 P12 Te15 -","- C699.52 H360 Co24 P24 Te30 -","2","0.25","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0864","0.0496","","","0.126","0.1529","","","","","","1.069","","","","has coordinates,has disorder","243207","2020-10-21","18:00:00",""
"4133411","25.3864","0.0006","16.3196","0.0003","28.8221","0.0006","90","","92.581","0.002","90","","11928.8","0.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C352 H180 Co12 P12 Te16 -","- C352.14 H180 Co12 P12 Te16 -","- C704.28 H360 Co24 P24 Te32 -","2","0.5","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.069","0.0454","","","0.0782","0.0869","","","","","","1.067","","","","has coordinates,has disorder","243208","2020-10-21","18:00:00",""
"4133412","16.603","0.0008","16.603","0.0008","12.9455","0.0009","90","","90","","120","","3090.5","0.3","340.3","0.4","340.3","0.4","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C176 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","- C176.028 H90 Co6 P6 Te8 -","1","0.0833333","","O'Brien, Evan S; Russell, Jake C.; Bartnof, Matthew; Christodoulides, Alexander D.; Lee, Kihong; DeGayner, Jordan A.; Paley, Daniel W.; McGaughey, Alan J. H.; Ong, Wee-Liat; Malen, Jonathan A.; Zhu, X.-Y.; Roy, Xavier","Spontaneous Electronic Band Formation and Switchable Behaviors in a Phase-Rich Superatomic Crystal.","Journal of the American Chemical Society","2018","140","46","15601","15605","10.1021/jacs.8b09905","","x-ray","0.71073","MoKα","","0.0728","0.0608","","","0.1801","0.1922","","","","","","1.071","","","","has coordinates,has disorder","243209","2020-10-21","18:00:00",""
"4133413","10.1118","0.0003","11.8308","0.0004","12.5795","0.0004","83.377","0.001","70.474","0.001","72.023","0.001","1348.98","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C35 H31 B O3 -","- C35 H31 B O3 -","- C70 H62 B2 O6 -","2","2","","Myhill, Jesse A.; Wilhelmsen, Christopher A.; Zhang, Liang; Morken, James P.","Diastereoselective and Enantioselective Conjunctive Cross-Coupling Enabled by Boron Ligand Design.","Journal of the American Chemical Society","2018","140","45","15181","15185","10.1021/jacs.8b09909","","","1.54178","CuKα","","0.045","0.0449","","","0.1164","0.1165","","","","","","1.022","","","","has coordinates","243210","2020-10-21","18:00:00",""
"4133414","12.0274","0.0002","14.89","0.0003","20.8508","0.0004","90","","94.768","0.007","90","","3721.21","0.13","123","2","123","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F12 N4 O P3 Ru -","- C37 H27 F12 N4 O P3 Ru -","- C148 H108 F48 N16 O4 P12 Ru4 -","4","1","","Lee, Sze Koon; Kondo, Mio; Okamura, Masaya; Enomoto, Takafumi; Nakamura, Go; Masaoka, Shigeyuki","Function-Integrated Ru Catalyst for Photochemical CO<sub>2</sub> Reduction.","Journal of the American Chemical Society","2018","140","49","16899","16903","10.1021/jacs.8b09933","","x-ray","0.71073","MoKα","","0.0372","0.0276","","","0.0618","0.0648","","","","","","1.034","","","","has coordinates","243211","2020-10-21","18:00:00",""
"4133417","14.2765","0.001","14.3034","0.0008","23.7048","0.0018","72.614","0.002","87.529","0.002","67.645","0.002","4258.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C94 H71 Cl2 Mn4 N6 O13 P3 -","- C188 H142 Cl4 Mn8 N12 O26 P6 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.078","0.0495","","","0.1122","0.1244","","","","","","1.012","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133418","14.3608","0.0009","27.4932","0.0017","23.6617","0.0014","90","","101.255","0.002","90","","9162.5","1","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C95 H71 Cl2 F3 Mn4 N6 O16 P3 S -","- C380 H284 Cl8 F12 Mn16 N24 O64 P12 S4 -","4","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0861","0.059","","","0.1539","0.1739","","","","","","1.049","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133419","13.2586","0.0018","15.443","0.003","18.255","0.003","89.004","0.005","85.374","0.005","82.474","0.005","3693.4","1.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C73.55 H56 Cl2.51 Mn4 N8 O12.57 -","- C73.542 H56 Cl2.508 Mn4 N8 O12.572 -","- C147.084 H112 Cl5.016 Mn8 N16 O25.144 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0781","0.0626","","","0.1885","0.2028","","","","","","1.052","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133420","12.925","0.002","15.479","0.002","18.467","0.003","81.151","0.006","84.367","0.006","66.925","0.007","3355.7","0.9","100","2","100.04","","","","","","","","","8","P -1","-P 1","2","","","","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C68 H57 Cl2 F3 Mn4 N8 O14 S -","- C136 H114 Cl4 F6 Mn8 N16 O28 S2 -","2","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","1.54178","CuKα","","0.1078","0.0786","","","0.2145","0.2416","","","","","","1.029","","","","has coordinates,has disorder","243214","2020-10-21","18:00:00",""
"4133421","41.9795","0.0015","15.5642","0.0008","26.7105","0.0008","90","","122.423","0.001","90","","14731.5","1","100","2","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C77 H65 F6 Mn4 N8 O15 S -","- C77 H65 F6 Mn4 N8 O15 S -","- C616 H520 F48 Mn32 N64 O120 S8 -","8","1","","Lee, Heui Beom; Shiau, Angela A.; Oyala, Paul H.; Marchiori, David A.; Gul, Sheraz; Chatterjee, Ruchira; Yano, Junko; Britt, R. David; Agapie, Theodor","Tetranuclear [Mn<sup>III</sup>Mn<sub>3</sub><sup>IV</sup>O<sub>4</sub>] Complexes as Spectroscopic Models of the S<sub>2</sub> State of the Oxygen Evolving Complex in Photosystem II.","Journal of the American Chemical Society","2018","140","49","17175","17187","10.1021/jacs.8b09961","","","0.71073","MoKα","","0.0991","0.0766","","","0.2334","0.2585","","","","","","1.051","","","","has coordinates","243214","2020-10-21","18:00:00",""
"4133422","14.5237","0.0008","23.9029","0.0014","38.344","0.002","90","","90.844","0.004","90","","13310","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H104 La3 N16 O32 -","- C104 H104 La3 N16 O32 -","- C416 H416 La12 N64 O128 -","4","1","","Wang, Xiaozhu; Jaraquemada-Peláez, María de Guadalupe; Rodríguez-Rodríguez, Cristina; Cao, Yang; Buchwalder, Christian; Choudhary, Neha; Jermilova, Una; Ramogida, Caterina F.; Saatchi, Katayoun; Häfeli, Urs O; Patrick, Brian O.; Orvig, Chris","H<sub>4</sub>octox: Versatile Bimodal Octadentate Acyclic Chelating Ligand for Medicinal Inorganic Chemistry.","Journal of the American Chemical Society","2018","140","45","15487","15500","10.1021/jacs.8b09964","","x-ray","0.71073","MoKα","","0.0851","0.0661","","","0.1742","0.1854","","","","","","1.039","","","","has coordinates,has disorder","243215","2020-10-21","18:00:00",""
"4133423","8.6052","0.0004","10.8224","0.0006","16.0638","0.0008","72.9449","0.0006","78.4844","0.0007","73.8845","0.0006","1362.58","0.12","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C50 H74 Br2 Cl2 N2 O8 Si2 -","2","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0285","0.0249","","","0.062","0.0639","","","","","","1.04","","","","has coordinates","243216","2020-10-21","18:00:00",""
"4133424","15.3662","0.001","13.9849","0.0009","17.6635","0.0011","90","","97.3964","0.0008","90","","3764.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0526","0.0441","","","0.1102","0.1163","","","","","","1.032","","","","has coordinates","243217","2020-10-21","18:00:00",""
"4133425","7.9555","0.0007","16.5243","0.0015","21.253","0.002","90","","90","","90","","2793.9","0.4","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C100 H148 Br4 Cl4 N4 O16 Si4 -","4","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0799","0.0734","","","0.1781","0.1815","","","","","","1.076","","","","has coordinates","243218","2020-10-21","18:00:00",""
"4133426","17.139","0.002","17.0795","0.0018","20.123","0.002","90","","98.862","0.005","90","","5820.2","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","q07jf128_200K","","","- C76 H64 O -","- C76 H64 O -","- C304 H256 O4 -","4","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.4528","0.1804","","","0.3883","0.5311","","","","","","1.036","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133427","12.7107","0.0005","16.888","0.0007","17.1768","0.0008","93.094","0.002","100.081","0.002","107.113","0.002","3447.6","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","jf130_200K","","","- C78 H61 Cl3.5 O1.5 -","- C78 H61 Cl3.5 O1.5 -","- C156 H122 Cl7 O3 -","2","1","","Fernández-García, Jesús M; Evans, Paul J.; Medina Rivero, Samara; Fernández, Israel; García-Fresnadillo, David; Perles, Josefina; Casado, Juan; Martín, Nazario","π-Extended Corannulene-Based Nanographenes: Selective Formation of Negative Curvature.","Journal of the American Chemical Society","2018","140","49","17188","17196","10.1021/jacs.8b09992","","","0.71073","MoKα","","0.2383","0.1801","","","0.501","0.552","","","","","","1.216","","","","has coordinates","243219","2020-10-21","18:00:00",""
"4133428","9.0211","0.0004","9.8773","0.0005","12.0584","0.0006","90.0808","0.0016","99.2615","0.0016","91.3378","0.0016","1060.14","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","QC279","","","- C9 H8 F N3 O4 S -","- C9 H8 F N3 O4 S -","- C36 H32 F4 N12 O16 S4 -","4","2","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0447","0.0397","","","0.1014","0.1048","","","","","","1.081","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133429","26.7901","0.0006","26.7901","0.0006","5.9921","0.0001","90","","90","","120","","3724.42","0.13","100","2","100","2","","","","","","","","4","P 65","P 65","170","QC469","","","- C29 H29 N O4 -","- C29 H29 N O4 -","- C174 H174 N6 O24 -","6","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0472","0.0403","","","0.0971","0.0994","","","","","","1.064","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133430","11.1451","0.0004","16.3538","0.0006","10.6857","0.0004","90","","90","","90","","1947.63","0.12","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","ef-89","","","- C22 H17 N O4 S2 -","- C22 H17 N O4 S2 -","- C88 H68 N4 O16 S8 -","4","1","","Jangra, Harish; Chen, Quan; Fuks, Elina; Zenz, Ivo; Mayer, Peter; Ofial, Armin R.; Zipse, Hendrik; Mayr, Herbert","Nucleophilicity and Electrophilicity Parameters for Predicting Absolute Rate Constants of Highly Asynchronous 1,3-Dipolar Cycloadditions of Aryldiazomethanes.","Journal of the American Chemical Society","2018","140","48","16758","16772","10.1021/jacs.8b09995","","","0.71073","MoKα","","0.0461","0.0404","","","0.0986","0.1047","","","","","","1.077","","","","has coordinates","243220","2020-10-21","18:00:00",""
"4133431","27.392","0.003","8.3185","0.0007","18.8264","0.0019","90","","126.339","0.003","90","","3455.5","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 F3 O3 -","- C20 H17 F3 O3 -","- C160 H136 F24 O24 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0915","0.0601","","","0.1549","0.1744","","","","","","1.011","","","","has coordinates","243221","2020-10-21","18:00:00",""
"4133432","6.3241","0.0004","8.6365","0.0005","41.542","0.002","90","","90","","90","","2268.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br5 O2 -","- C22 H17 Br5 O2 -","- C88 H68 Br20 O8 -","4","1","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0467","0.0338","","","0.0612","0.0643","","","","","","0.999","","","","has coordinates","243222","2020-10-21","18:00:00",""
"4133433","5.766","0.0005","17.9957","0.0014","21.5234","0.0015","90","","90","","90","","2233.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","1.54178","CuKα","","0.0411","0.0368","","","0.0908","0.0936","","","","","","1.068","","","","has coordinates","243223","2020-10-21","18:00:00",""
"4133447","6.3235","0.0001","8.7307","0.0002","16.0117","0.0003","92.4545","0.0011","91.3114","0.0011","107.094","0.001","843.57","0.03","103","2","103","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","- C39 H53 N3 O3 -","1","1","","Liu, Guofeng; Sheng, Jianhui; Teo, Wei Liang; Yang, Guangbao; Wu, Hongwei; Li, Yongxin; Zhao, Yanli","Control on Dimensions and Supramolecular Chirality of Self-Assemblies through Light and Metal Ions.","Journal of the American Chemical Society","2018","140","47","16275","16283","10.1021/jacs.8b10024","","","1.54178","CuKα","","0.0482","0.0469","","","0.1188","0.1216","","","","","","1.067","","","","has coordinates,has disorder","243225","2020-10-21","18:00:00",""
"4133448","13.1308","0.0006","14.3903","0.0007","22.4509","0.0011","94.5275","0.0008","91.9082","0.0008","100.816","0.0008","4148.9","0.3","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C86 H76 B F24 Fe6 N12 O2 -","- C86 H76 B F24 Fe6 N12 O2 -","- C172 H152 B2 F48 Fe12 N24 O4 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1208","0.0619","","","0.1353","0.1595","","","","","","1.021","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133449","12.9618","0.0009","13.4006","0.001","23.834","0.0018","91.711","0.002","104.785","0.0019","117.907","0.0018","3482.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H78 F6 Fe6 N18 P -","- C76 H78 F6 Fe6 N18 P -","- C152 H156 F12 Fe12 N36 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.41328","synchrotron","","0.0583","0.0376","","","0.0935","0.11","","","","","","1.094","","","","has coordinates","243226","2020-10-21","18:00:00",""
"4133450","23.0565","0.0018","15.886","0.0012","17.9778","0.0014","90","","105.974","0.001","90","","6330.6","0.8","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H84 Fe6 N13 -","- C62 H84 Fe6 N13 -","- C248 H336 Fe24 N52 -","4","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0355","0.0256","","","0.0577","0.0602","","","","","","1.032","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133451","13.473","0.0006","15.5825","0.0007","17.2825","0.0007","100.978","0.0014","107.685","0.0013","98.7756","0.0014","3306.6","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C70 H97 Fe6 N12 O4 P -","- C70 H97 Fe6 N12 O4 P -","- C140 H194 Fe12 N24 O8 P2 -","2","1","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.0633","0.0431","","","0.0946","0.1044","","","","","","1.043","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133452","13.945","0.003","14.132","0.003","15.316","0.003","95.563","0.003","103.823","0.003","117.557","0.003","2521.8","0.9","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","- C110 H152 Fe6 N18 -","1","0.5","","Sánchez, Raúl Hernández; Betley, Theodore A.","Thermally Persistent High-Spin Ground States in Octahedral Iron Clusters.","Journal of the American Chemical Society","2018","140","48","16792","16806","10.1021/jacs.8b10181","","","0.71073","MoKα","","0.1589","0.0647","","","0.1056","0.1307","","","","","","0.937","","","","has coordinates,has disorder","243226","2020-10-21","18:00:00",""
"4133453","29.594","0.006","27.812","0.006","30.175","0.006","90","","95.96","0.03","90","","24702","9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C348 H476 Cl20 Fe32 N12 O100 -","- C348 H431 Cl20 Fe32 N12 O100 -","- C696 H862 Cl40 Fe64 N24 O200 -","2","0.5","","Rathnayake, Asanka S.; Fraser, Hector W. L.; Brechin, Euan K.; Dalgarno, Scott J.; Baumeister, Jakob E.; White, Joshua; Rungthanaphatsophon, Pokpong; Walensky, Justin R.; Kelley, Steven P.; Barnes, Charles L.; Atwood, Jerry L.","Site-Specific Metal Chelation Facilitates the Unveiling of Hidden Coordination Sites in an Fe<sup>II</sup>/Fe<sup>III</sup>-Seamed Pyrogallol[4]arene Nanocapsule.","Journal of the American Chemical Society","2018","140","46","15611","15615","10.1021/jacs.8b10186","","","1.54184","CuKα","","0.186","0.1166","","","0.255","0.2997","","","","","","1.034","","","","has coordinates,has disorder","243227","2020-10-21","18:00:00",""
"4133454","12.2367","0.0003","12.6872","0.0003","22.0591","0.0005","96.517","0.001","100.607","0.001","113.124","0.001","3029.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H94 N6 O11 -","- C63 H94 N6 O11 -","- C126 H188 N12 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0778","0.065","","","0.1805","0.1913","","","","","","1.028","","","","has coordinates,has disorder","243228","2020-10-21","18:00:00",""
"4133455","12.4803","0.0008","13.1925","0.0009","22.0752","0.0012","97.674","0.005","99.394","0.005","113.819","0.006","3199.3","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H82 N3 O10 -","- C66 H82 N3 O10 -","- C132 H164 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.1462","0.0907","","","0.2591","0.3215","","","","","","1.035","","","","has coordinates,has disorder","243229","2020-10-21","18:00:00",""
"4133456","18.251","0.002","12.4803","0.0013","25.254","0.003","90","","94.868","0.01","90","","5731.6","1.1","154.7","","154.7","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C60 H83 N3 O10.5 -","- C60 H83 N3 O10.5 -","- C240 H332 N12 O42 -","4","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.2155","0.1157","","","0.2672","0.3411","","","","","","1.035","","","","has coordinates,has disorder","243230","2020-10-21","18:00:00",""
"4133457","12.4043","0.0003","12.7618","0.0003","22.4296","0.0005","97.336","0.001","100.5","0.001","113.674","0.001","3116.82","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H95 N3 O10 -","- C66 H95 N3 O10 -","- C132 H190 N6 O20 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","1.54178","CuKα","","0.0711","0.0637","","","0.1787","0.1854","","","","","","1.052","","","","has coordinates,has disorder","243231","2020-10-21","18:00:00",""
"4133458","12.2429","0.0006","12.5858","0.0007","22.187","0.0009","96.046","0.004","101.187","0.004","114.345","0.005","2989.2","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H89 N3 O11 -","- C63 H89 N3 O11 -","- C126 H178 N6 O22 -","2","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Huang, Feihe","Post-Synthetic Modification of Nonporous Adaptive Crystals of Pillar[4]arene[1]quinone by Capturing Vaporized Amines.","Journal of the American Chemical Society","2018","140","44","15070","15079","10.1021/jacs.8b10192","","","0.71073","MoKα","","0.111","0.0792","","","0.2139","0.2472","","","","","","1.04","","","","has coordinates","243232","2020-10-21","18:00:00",""
"4133459","6.764","0.004","7.374","0.005","8.058","0.005","98.976","0.011","100.324","0.011","109.945","0.01","361.3","0.4","100","2","99.99","","","","","","","","","4","P -1","-P 1","2","formamidinium nitroformate","formamidinium nitroformate","","- C2 H5 N5 O6 -","- C2 H5 N5 O6 -","- C4 H10 N10 O12 -","2","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.1238","0.0525","","","0.0989","0.1255","","","","","","0.967","","","","has coordinates","243233","2020-10-21","18:00:00",""
"4133460","10.023","0.004","9.24","0.003","8.25","0.003","90","","116.017","0.005","90","","686.6","0.4","100","2","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","ethylenediammonium dinitroformate","","- C4 H10 N8 O12 -","- C4 H10 N8 O12 -","- C8 H20 N16 O24 -","2","0.25","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0386","0.0327","","","0.0845","0.0882","","","","","","1.051","","","","has coordinates","243234","2020-10-21","18:00:00",""
"4133461","7.409","0.003","9.031","0.004","12.671","0.005","90","","92.666","0.007","90","","846.9","0.6","100","1","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","dimethylammonium nitroformate","","- C3 H8 N4 O6 -","- C3 H8 N4 O6 -","- C12 H32 N16 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0672","0.0385","","","0.112","0.133","","","","","","0.92","","","","has coordinates","243235","2020-10-21","18:00:00",""
"4133462","8.5003","0.0011","9.2107","0.0012","10.3713","0.0014","90","","108.348","0.002","90","","770.73","0.18","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","methylhydrazinium nitroformate","","- C2 H7 N5 O6 -","- C2 H7 N5 O6 -","- C8 H28 N20 O24 -","4","1","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","x-ray","0.71073","MoKα","","0.0525","0.0338","","","0.0769","0.0855","","","","","","1.037","","","","has coordinates","243236","2020-10-21","18:00:00",""
"4133463","8.226","0.002","8.403","0.002","10.367","0.003","90","","90","","90","","716.6","0.3","100","1","99.99","","","","","","","","","4","P n m a","-P 2ac 2n","62","","methylammonium nitroformate","","- C2 H6 N4 O6 -","- C2 H6 N4 O6 -","- C8 H24 N16 O24 -","4","0.5","","Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf","Formamidinium Nitroformate: An Insensitive RDX Alternative.","Journal of the American Chemical Society","2018","140","44","15089","15098","10.1021/jacs.8b10200","","","0.71073","MoKα","","0.0429","0.035","","","0.0915","0.0975","","","","","","1.0816","","","","has coordinates,has disorder","243237","2020-10-21","18:00:00",""
"4133464","11.8977","0.0008","12.077","0.0008","12.1695","0.0008","76.118","0.001","89.803","0.001","84.021","0.001","1687.89","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","3ag","","","- C34 H43 Br N2 O4 S Si -","- C34 H43 Br N2 O4 S Si -","- C68 H86 Br2 N4 O8 S2 Si2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0627","0.0389","","","0.0825","0.0918","","","","","","1.01","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133465","7.3353","0.0002","14.8015","0.0005","11.0786","0.0004","90","","103.001","0.001","90","","1172.01","0.07","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","trans-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","","0.71073","MoKα","","0.0384","0.0341","","","0.0867","0.0899","","","","","","1.043","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133466","9.084","0.0004","6.6655","0.0003","18.9521","0.0008","90","","98.78","0.001","90","","1134.09","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","cis-6na","","","- C27 H27 N3 O2 S -","- C27 H27 N3 O2 S -","- C54 H54 N6 O4 S2 -","2","1","","Yang, Pei-Jun; Qi, Ling; Liu, Zhen; Yang, Gaosheng; Chai, Zhuo","Lewis Acid Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic N-Sulfonylaziridines.","Journal of the American Chemical Society","2018","140","49","17211","17217","10.1021/jacs.8b10217","","x-ray","0.71073","MoKα","","0.0344","0.0315","","","0.0753","0.0769","","","","","","1.02","","","","has coordinates","243238","2020-10-21","18:00:00",""
"4133471","16.056","0.018","15.486","0.017","17.51","0.03","90","","111.03","0.04","90","","4064","10","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Mn(III)(TBDAP)(OH)(PhIO)](OTf)2","","","- C32 H44 F6 I Mn N4 O9 S2 -","- C32 H44 F6 I Mn N4 O9 S2 -","- C128 H176 F24 I4 Mn4 N16 O36 S8 -","4","1","","Jeong, Donghyun; Ohta, Takehiro; Cho, Jaeheung","Structure and Reactivity of a Mononuclear Nonheme Manganese(III)-Iodosylarene Complex.","Journal of the American Chemical Society","2018","140","47","16037","16041","10.1021/jacs.8b10244","","","0.71073","MoKa","","0.0827","0.0525","","","0.1123","0.126","","","","","","1.043","","","","has coordinates","243240","2020-10-21","18:00:00",""
"4133476","6.7382","0.0005","13.5359","0.0009","14.4823","0.0009","90","","95.384","0.004","90","","1315.07","0.15","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 B10 -","- C8 H16 B10 -","- C32 H64 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.0929","0.054","","","0.143","0.1661","","","","","","1.027","","","","has coordinates","243245","2020-10-21","18:00:00",""
"4133477","8.9801","0.0003","10.7996","0.0004","12.6811","0.0004","112.362","0.0013","97.0307","0.0013","106.717","0.0012","1051.3","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H28 B10 -","- C18 H28 B10 -","- C36 H56 B20 -","2","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.0848","0.0702","","","0.202","0.2176","","","","","","1.066","","","","has coordinates","243246","2020-10-21","18:00:00",""
"4133478","10.227","0.0005","7.9359","0.0003","26.7561","0.0013","90","","91.4085","0.0016","90","","2170.88","0.17","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B10 -","- C17 H30 B10 -","- C68 H120 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","0.71073","MoKα","","0.1095","0.0663","","","0.1706","0.2038","","","","","","1.019","","","","has coordinates","243247","2020-10-21","18:00:00",""
"4133479","11.9901","0.0009","13.1211","0.0011","9.2461","0.0006","90","","90","","90","","1454.63","0.19","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H18 B10 -","- C9 H18 B10 -","- C36 H72 B40 -","4","1","","Tang, Cen; Zhang, Jiji; Zhang, Jie; Xie, Zuowei","Regioselective Nucleophilic Alkylation/Arylation of B-H Bonds in o-Carboranes: An Alternative Method for Selective Cage Boron Functionalization.","Journal of the American Chemical Society","2018","140","48","16423","16427","10.1021/jacs.8b10270","","","1.54178","CuKα","","0.13","0.0639","","","0.1465","0.1823","","","","","","1.014","","","","has coordinates","243248","2020-10-21","18:00:00",""
"4133484","9.52","0.0002","13.4283","0.0004","20.6016","0.0006","90","","90","","90","","2633.66","0.12","100","","99.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-((1S,2S)-1-(2,6-dimethylphenyl)-4-phenyl-2-(phenylthio)butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C30 H37 B O2 S -","- C30 H37 B O2 S -","- C120 H148 B4 O8 S4 -","4","1","","Tao, Zhonglin; Robb, Kevin A.; Panger, Jesse L.; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed Carbosulfenylation of Alkenylboronates by 1,2-Boronate Migration.","Journal of the American Chemical Society","2018","140","46","15621","15625","10.1021/jacs.8b10288","","","0.71073","MoKα","","0.0337","0.0306","","","0.0715","0.0733","","","","","","1.0408","","","","has coordinates","243253","2020-10-21","18:00:00",""
"4133486","5.028","0.001","10.144","0.002","10.796","0.002","109.16","0.03","95.29","0.03","92.72","0.03","516.2","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 F3 O2 -","- C11 H11 F3 O2 -","- C22 H22 F6 O4 -","2","1","","Liu, Jie; Wei, Yongliang; Tang, Pingping","Cobalt-Catalyzed Trifluoromethoxylation of Epoxides.","Journal of the American Chemical Society","2018","140","45","15194","15199","10.1021/jacs.8b10298","","","0.71073","MoKα","","0.0981","0.0533","","","0.1077","0.1246","","","","","","0.995","","","","has coordinates","243255","2020-10-21","18:00:00",""
"4133487","8.6067","0.0012","9.8761","0.0015","21.569","0.003","90","","90","","90","","1833.4","0.5","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1029","0.0735","","","0.1997","0.2157","","","","","","1.094","","","","has coordinates","243256","2020-10-21","18:00:00",""
"4133488","8.6046","0.001","9.8826","0.0011","21.43","0.003","90","","90","","90","","1822.3","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0809","0.056","","","0.1452","0.1589","","","","","","1.041","","","","has coordinates","243257","2020-10-21","18:00:00",""
"4133489","8.6191","0.0016","9.901","0.0019","21.737","0.004","90","","90","","90","","1855","0.6","269","2","269","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1025","0.0732","","","0.199","0.2149","","","","","","1.094","","","","has coordinates","243258","2020-10-21","18:00:00",""
"4133490","8.7702","0.0018","9.952","0.002","21.743","0.004","90","","90","","90","","1897.8","0.6","310","2","310","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1024","0.0717","","","0.1967","0.2173","","","","","","1.053","","","","has coordinates","243259","2020-10-21","18:00:00",""
"4133491","8.7678","0.0017","9.943","0.002","21.634","0.004","90","","90","","90","","1886","0.6","279","2","279","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.103","0.0713","","","0.1906","0.2115","","","","","","1.058","","","","has coordinates","243260","2020-10-21","18:00:00",""
"4133492","8.6175","0.0016","9.8992","0.0019","21.74","0.004","90","","90","","90","","1854.6","0.6","270","2","270","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1014","0.0747","","","0.201","0.2152","","","","","","1.089","","","","has coordinates","243261","2020-10-21","18:00:00",""
"4133493","8.6168","0.0015","9.898","0.0019","21.715","0.004","90","","90","","90","","1852.1","0.6","260","2","260","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0974","0.0717","","","0.1987","0.2129","","","","","","1.092","","","","has coordinates","243262","2020-10-21","18:00:00",""
"4133494","8.6152","0.0015","9.8905","0.0018","21.64","0.004","90","","90","","90","","1843.9","0.6","229","2","229","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0857","0.0689","","","0.1886","0.1999","","","","","","1.085","","","","has coordinates","243263","2020-10-21","18:00:00",""
"4133495","8.6189","0.0016","9.8998","0.0019","21.717","0.004","90","","90","","90","","1853","0.6","259","2","259","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0884","0.071","","","0.1935","0.2053","","","","","","1.079","","","","has coordinates","243264","2020-10-21","18:00:00",""
"4133496","8.7703","0.0018","9.946","0.002","21.667","0.005","90","","90","","90","","1890","0.7","289","2","289","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1053","0.0726","","","0.199","0.2201","","","","","","1.068","","","","has coordinates","243265","2020-10-21","18:00:00",""
"4133497","8.6116","0.0013","9.885","0.0016","21.582","0.003","90","","90","","90","","1837.2","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.099","0.0698","","","0.187","0.2009","","","","","","1.085","","","","has coordinates","243266","2020-10-21","18:00:00",""
"4133498","8.6181","0.0015","9.8959","0.0018","21.651","0.004","90","","90","","90","","1846.5","0.6","230","2","230","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1027","0.0734","","","0.2004","0.2165","","","","","","1.092","","","","has coordinates","243267","2020-10-21","18:00:00",""
"4133499","8.7614","0.0017","9.9569","0.0015","21.863","0.004","90","","90","","90","","1907.2","0.6","340","2","340","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.0973","0.0618","","","0.1841","0.2055","","","","","","1.061","","","","has coordinates","243268","2020-10-21","18:00:00",""
"4133500","8.7668","0.0016","9.9419","0.0019","21.658","0.004","90","","90","","90","","1887.7","0.6","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","HbimDTDA","4-(2'-benzimidazolyl)-1,2,3,5-dithiadiazolyl","","- C8 H5 N4 S2 -","- C8 H5 N4 S2 -","- C64 H40 N32 S16 -","8","1","","Mills, Michelle B.; Wohlhauser, Tobie; Stein, Benjamin; Verduyn, Willem R.; Song, Ellen; Dechambenoit, Pierre; Rouzières, Mathieu; Clérac, Rodolphe; Preuss, Kathryn E.","Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2'-Benzimidazolyl)-1,2,3,5-dithiadiazolyl.","Journal of the American Chemical Society","2018","140","49","16904","16908","10.1021/jacs.8b10370","","","0.71073","MoKα","","0.1001","0.0709","","","0.1934","0.2105","","","","","","1.046","","","","has coordinates","243270","2020-10-21","18:00:00",""
"4133501","8.824","0.0003","13.4501","0.0005","15.5579","0.0006","67.708","0.004","74.052","0.003","86.15","0.003","1641.28","0.12","99.8","0.8","99.8","0.8","","","","","","","","2","P -1","-P 1","2","","","","- C43 H46 -","- C43 H46 -","- C86 H92 -","2","1","","Choi, Inho; Yang, Sanghee; Choi, Tae-Lim","Preparing Semiconducting Nanoribbons with Tunable Length and Width via Crystallization-Driven Self-Assembly of a Simple Conjugated Homopolymer.","Journal of the American Chemical Society","2018","140","49","17218","17225","10.1021/jacs.8b10406","","x-ray","1.54184","CuKα","","0.063","0.058","","","0.1473","0.1509","","","","","","1.092","","","","has coordinates","243271","2020-10-21","18:00:00",""
"4133502","25.18","0.003","15.2158","0.0018","19.325","0.002","90","","92.509","0.002","90","","7397","1.5","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C118 H46 Cl6 N4 Ni S0 U -","- C118 H46 Cl6 N4 Ni U0.9996 -","- C472 H184 Cl24 N16 Ni4 U3.9984 -","4","0.5","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1842","0.1285","","","0.3656","0.3941","","","","","","1.403","","","","has coordinates,has disorder","243272","2020-10-21","18:00:00",""
"4133503","18.686","0.005","15.184","0.004","25.496","0.006","90","","91.39","0.006","90","","7232","3","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C113 H45 Cl3 I0 N4 Ni S0 U -","- C113 H45 Cl3 N4 Ni U -","- C452 H180 Cl12 N16 Ni4 U4 -","4","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","0.71073","MoKα","","0.1754","0.1236","","","0.3435","0.375","","","","","","1.263","","","","has coordinates,has disorder","243273","2020-10-21","18:00:00",""
"4133504","45.4289","0.0008","15.0655","0.0003","25.2663","0.0004","90","","120.302","0.001","90","","14930","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Th@C80/NiOEP/2(C6H6)","","","- C128 H56 N4 Ni Th -","- C128 H56 N4 Ni Th0.9996 -","- C1024 H448 N32 Ni8 Th7.9968 -","8","1","","Cai, Wenting; Abella, Laura; Zhuang, Jiaxin; Zhang, Xingxing; Feng, Lai; Wang, Yaofeng; Morales-Martínez, Roser; Esper, Ronda; Boero, Mauro; Metta-Magaña, Alejandro; Rodríguez-Fortea, Antonio; Poblet, Josep M.; Echegoyen, Luis; Chen, Ning","Synthesis and Characterization of Non-Isolated-Pentagon-Rule Actinide Endohedral Metallofullerenes U@ C<sub>1</sub>(17418)-C<sub>76</sub>, U@ C<sub>1</sub>(28324)-C<sub>80</sub>, and Th@ C<sub>1</sub>(28324)-C<sub>80</sub>: Low-Symmetry Cage Selection Directed by a Tetravalent Ion.","Journal of the American Chemical Society","2018","140","51","18039","18050","10.1021/jacs.8b10435","","","1.54178","CuKα","","0.1023","0.0967","","","0.2672","0.2743","","","","","","1.039","","","","has coordinates,has disorder","243274","2020-10-21","18:00:00",""
"4133505","9.7778","0.0003","10.9762","0.0003","23.229","0.0006","90","","93.747","0.002","90","","2487.68","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N3 O7 S -","- C26 H27 N3 O7 S -","- C104 H108 N12 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0531","0.0376","","","0.0842","0.0913","","","","","","1.019","","","","has coordinates,has disorder","243275","2020-10-21","18:00:00",""
"4133506","8.2302","0.0002","15.7113","0.0004","11.2016","0.0003","90","","93.2127","0.0014","90","","1446.17","0.06","100","","100.04","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0383","0.0336","","","0.0886","0.0918","","","","","","1.037","","","","has coordinates","243276","2020-10-21","18:00:00",""
"4133507","5.7714","0.0002","7.3205","0.0002","22.5971","0.0007","90","","90","","90","","954.72","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N -","- C11 H12 Cl N -","- C44 H48 Cl4 N4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0338","0.0287","","","0.0633","0.0653","","","","","","1.053","","","","has coordinates,has disorder","243277","2020-10-21","18:00:00",""
"4133508","12.6","0.0003","14.7908","0.0004","13.3412","0.0004","90","","105.054","0.002","90","","2400.99","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O7 S -","- C26 H28 N2 O7 S -","- C104 H112 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0527","0.0379","","","0.0897","0.0967","","","","","","1.025","","","","has coordinates","243278","2020-10-21","18:00:00",""
"4133509","16.3198","0.0011","12.408","0.0008","13.98","0.001","90","","113.396","0.004","90","","2598.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 F3 N2 O7 S -","- C24 H31 F3 N2 O7 S -","- C96 H124 F12 N8 O28 S4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.063","0.0436","","","0.1219","0.1402","","","","","","0.968","","","","has coordinates","243279","2020-10-21","18:00:00",""
"4133516","32.4628","0.0015","19.1378","0.001","14.8992","0.0008","90","","116.386","0.002","90","","8292","0.7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H51 N9 O9 -","- C45 H51 N9 O9 -","- C360 H408 N72 O72 -","8","1","","Zhao, Chenfei; Diercks, Christian S.; Zhu, Chenhui; Hanikel, Nikita; Pei, Xiaokun; Yaghi, Omar M.","Urea-Linked Covalent Organic Frameworks.","Journal of the American Chemical Society","2018","140","48","16438","16441","10.1021/jacs.8b10612","","x-ray","0.71073","MoKα","","0.1027","0.0842","","","0.2357","0.2604","","","","","","0.983","","","","has coordinates","243286","2020-10-21","18:00:00",""
"4133517","27.5497","0.0007","16.772","0.0005","24.5756","0.0007","90","","96.29","0.001","90","","11287.1","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[Cu(PPh2C4)2phen]2(PF6)2","","- C123 H119 Cu2 F12 N9 O P6 -","- C123 H119 Cu2 F12 N9 O P6 -","- C492 H476 Cu8 F48 N36 O4 P24 -","4","0.5","","Takeda, Hiroyuki; Kamiyama, Hiroko; Okamoto, Kouhei; Irimajiri, Mina; Mizutani, Toshihide; Koike, Kazuhide; Sekine, Akiko; Ishitani, Osamu","Highly Efficient and Robust Photocatalytic Systems for CO<sub>2</sub> Reduction Consisting of a Cu(I) Photosensitizer and Mn(I) Catalysts.","Journal of the American Chemical Society","2018","140","49","17241","17254","10.1021/jacs.8b10619","","","1.54178","CuKα","","0.1023","0.0842","","","0.2306","0.2507","","","","","","1.078","","","","has coordinates,has disorder","243287","2020-10-21","18:00:00",""
"4133518","8.3514","0.0004","13.3861","0.0006","15.2817","0.0007","83.607","0.002","86.533","0.002","87.048","0.002","1692.92","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0611","0.042","","","0.0934","0.1041","","","","","","1.039","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133519","13.0489","0.0003","15.1168","0.0004","16.9239","0.0004","90","","90","","90","","3338.37","0.14","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","175-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C160 H160 O24 S8 -","8","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0489","0.0347","","","0.081","0.092","","","","","","1.07","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133520","10.0205","0.0003","10.8597","0.0003","16.2287","0.0005","81.764","0.001","80.799","0.001","85.353","0.001","1722.24","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","175-B-F1","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","2","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0573","0.0417","","","0.0922","0.1012","","","","","","1.023","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133521","10.3115","0.0003","12.0645","0.0003","13.9574","0.0003","90","","90","","90","","1736.34","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","175-B-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0297","0.0271","","","0.0627","0.0644","","","","","","1.08","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133522","6.905","0.0002","20.104","0.0006","22.846","0.0006","90","","90","","90","","3171.44","0.16","298","","298","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H8 Br F5 N2 O Pd -","- C16 H8 Br F5 N2 O Pd -","- C128 H64 Br8 F40 N16 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0625","0.0364","","","0.0741","0.0843","","","","","","1.0365","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133523","7.4795","0.0004","12.5387","0.0007","12.6596","0.0006","71.425","0.005","83.843","0.004","75.99","0.005","1091.35","0.11","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 F5 N3 O3 Pd -","- C21 H16 F5 N3 O3 Pd -","- C42 H32 F10 N6 O6 Pd2 -","2","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0712","0.0485","","","0.1204","0.1624","","","","","","0.9654","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133524","7.8072","0.0003","15.7255","0.0006","32.2864","0.0016","90","","90","","90","","3963.9","0.3","298","","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F3 N3 O Pd -","- C22 H16 F3 N3 O Pd -","- C176 H128 F24 N24 O8 Pd8 -","8","1","","Salamanca, Vanesa; Toledo, Alberto; Albéniz, Ana C","[2,2'-Bipyridin]-6(1 H)-one, a Truly Cooperating Ligand in the Palladium-Mediated C-H Activation Step: Experimental Evidence in the Direct C-3 Arylation of Pyridine.","Journal of the American Chemical Society","2018","140","51","17851","17856","10.1021/jacs.8b10680","","x-ray","0.71073","MoKα","","0.0977","0.0512","","","0.0909","0.1122","","","","","","1.065","","","","has coordinates","243289","2020-10-21","18:00:00",""
"4133525","9.6036","0.0005","47.197","0.002","7.3012","0.0004","90","","90","","90","","3309.4","0.3","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C152 H168 N8 O16 -","4","1","","Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun","Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis.","Journal of the American Chemical Society","2018","140","49","16914","16919","10.1021/jacs.8b10766","","","1.34139","GaKα","","0.1524","0.1359","","","0.3285","0.344","","","","","","1.077","","","","has coordinates,has disorder","243290","2020-10-21","18:00:00",""
"4133529","7.2267","0.0008","10.4032","0.0012","14.3685","0.0016","90","","96.435","0.002","90","","1073.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Br Fe N3 O -","- C23 H24 Br Fe N3 O -","- C46 H48 Br2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","0.71073","MoKα","","0.0287","0.0259","","","0.0597","0.0604","","","","","","1.01","","","","has coordinates","243294","2020-10-21","18:00:00",""
"4133530","7.2168","0.0002","10.3152","0.0003","14.2483","0.0004","90","","95.891","0.002","90","","1055.08","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl Fe N3 O -","- C23 H24 Cl Fe N3 O -","- C46 H48 Cl2 Fe2 N6 O2 -","2","1","","Seidl, Frederick J.; Min, Chang; Lopez, Jovan A.; Burns, Noah Z.","Catalytic Regio- and Enantioselective Haloazidation of Allylic Alcohols.","Journal of the American Chemical Society","2018","140","46","15646","15650","10.1021/jacs.8b10799","","","1.54184","CuKα","","0.053","0.0427","","","0.084","0.0866","","","","","","0.938","","","","has coordinates","243295","2020-10-21","18:00:00",""
"4133531","9.323","0.0004","15.2792","0.0006","15.3454","0.0006","90","","90","","90","","2185.92","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Pizzolato, Stefano F.; Štacko, Peter; Kistemaker, Jos C. M.; van Leeuwen, Thomas; Otten, Edwin; Feringa, Ben L.","Central-to-Helical-to-Axial-to-Central Transfer of Chirality with a Photoresponsive Catalyst.","Journal of the American Chemical Society","2018","140","49","17278","17289","10.1021/jacs.8b10816","","","1.54178","CuKα","","0.0319","0.0299","","","0.071","0.0728","","","","","","1.094","","","","has coordinates","243296","2020-10-21","18:00:00",""
"4133532","15.49","0.005","16.481","0.005","21.309","0.005","90","","90","","90","","5440","3","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H66.5 N8 O35 S6 V5 W -","- C14 H54.5 N7 O39 S7 V5 W -","- C56 H218 N28 O156 S28 V20 W4 -","4","1","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.0405","0.0379","","","0.102","0.1037","","","","","","1.122","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133533","55.536","0.009","55.536","0.009","35.633","0.006","90","","90","","90","","109901","3","292","2","291.99","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C240 H120 O313.5 S12 V65 W15 -","- C240 H120 O313.5 S12 V65 W15 -","- C960 H480 O1254 S48 V260 W60 -","4","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.2339","0.1694","","","0.4577","0.5044","","","","","","1.198","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133534","43.2511","0.0016","43.2511","0.0016","39.0469","0.0013","90","","90","","90","","73043","5","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C450 H540 N45 O323.5 S12 V65 W15 -","- C350 O264 V60 W12 -","- C700 O528 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.13","0.0825","","","0.2223","0.2612","","","","","","1.044","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133535","51.595","0.005","29.778","0.005","29.872","0.005","90","","110.903","0.005","90","","42875","11","293","2","293","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C268 H412 N44 O316 S16 V60 W12 -","- C220 H208 N20 O316 S16.0002 V60 W12 -","- C440 H416 N40 O632 S32.0004 V120 W24 -","2","0.25","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.1675","0.0772","","","0.1915","0.244","","","","","","1","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133536","41.174","0.005","41.174","0.005","53.404","0.014","90","","90","","90","","90536","3","293","2","293","2","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C556 H544 N98 O304 S12 V60 W12 -","- C480 H240 N60 O304 S12 V60 W12 -","- C960 H480 N120 O608 S24 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71073","MoKα","","0.3943","0.2105","","","0.4703","0.535","","","","","","1.41","","","","has coordinates","243297","2020-10-21","18:00:00",""
"4133537","41.893","0.003","41.893","0.003","53.783","0.004","90","","90","","90","","94390","12","173","2","173.02","","","","","","","","","7","P 42/m m c","-P 4c 2","131","","","","- C540 H240 N60 O324 S10 V60 W12 -","- C540 H240 N60 O324 S10 V60 W12 -","- C1080 H480 N120 O648 S20 V120 W24 -","2","0.125","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","x-ray","1.54178","CuKα","","0.2185","0.1385","","","0.3897","0.4988","","","","","","1.013","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133538","6.6824","0.0004","6.7915","0.0005","19.0741","0.0011","90","","100.083","0.004","90","","852.28","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C38 H46 N2 O8 -","2","1","","Zhou, Yuebiao; Shi, Ying; Torker, Sebastian; Hoveyda, Amir H.","S<sub>N</sub>2″-Selective and Enantioselective Substitution with Unsaturated Organoboron Compounds and Catalyzed by a Sulfonate-Containing NHC-Cu Complex.","Journal of the American Chemical Society","2018","140","48","16842","16854","10.1021/jacs.8b10885","","","1.54178","CuKα","","0.0381","0.0365","","","0.0915","0.0928","","","","","","1.052","","","","has coordinates","243298","2020-10-21","18:00:00",""
"4133539","15.2986","0.0007","23.8567","0.0011","18.6523","0.0009","90","","96.007","0.001","90","","6770.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H105 I N2 O0.5 U -","- C74 H105 I N2 O0.5 U -","- C296 H420 I4 N8 O2 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0401","0.0268","","","0.0552","0.0593","","","","","","1.011","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133540","18.0536","0.0013","16.8949","0.0012","22.7572","0.0016","90","","106.972","0.001","90","","6639","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 N2 O U -","- C76 H108 N2 O U -","- C304 H432 N8 O4 U4 -","4","0.5","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0317","0.0274","","","0.0686","0.0708","","","","","","1.07","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133541","14.7775","0.0002","16.4035","0.0002","41.8881","0.0006","90","","90.893","0.001","90","","10152.6","0.2","172.98","","172.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H114.5 B F24 N2 O0.25 U -","- C105 H114.5 B F23.9997 N2 O0.25 U -","- C420 H458 B4 F95.9988 N8 O U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","1.54178","CuKα","","0.0954","0.0572","","","0.1242","0.1415","","","","","","1.014","","","","has coordinates,has disorder","243299","2020-10-21","18:00:00",""
"4133542","13.3008","0.0015","15.0013","0.0017","36.19","0.004","90","","94.323","0.001","90","","7200.4","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H114 I N2 U -","- C78 H114 I N2 U -","- C312 H456 I4 N8 U4 -","4","1","","Billow, Brennan S.; Livesay, Brooke N.; Mokhtarzadeh, Charles C.; McCracken, John; Shores, Matthew P.; Boncella, James M.; Odom, Aaron L.","Synthesis and Characterization of a Neutral U(II) Arene Sandwich Complex.","Journal of the American Chemical Society","2018","140","50","17369","17373","10.1021/jacs.8b10888","","","0.71073","MoKα","","0.0464","0.0344","","","0.077","0.0813","","","","","","1.035","","","","has coordinates","243299","2020-10-21","18:00:00",""
"4133543","6.608","0.0003","9.8783","0.0004","38.8492","0.0014","90","","90","","90","","2535.91","0.18","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 Si -","- C25 H38 O6 Si -","- C100 H152 O24 Si4 -","4","1","","Economou, Christos; Tomanik, Martin; Herzon, Seth B.","Synthesis of Myrocin G, the Putative Active Form of the Myrocin Antitumor Antibiotics.","Journal of the American Chemical Society","2018","140","47","16058","16061","10.1021/jacs.8b10891","","","1.54184","CuKα","","0.0629","0.0499","","","0.1041","0.1108","","","","","","1.088","","","","has coordinates","243300","2020-10-21","18:00:00",""
"4133544","9.67683","0.00019","11.05812","0.00017","20.5604","0.0005","90","","90","","90","","2200.12","0.08","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0573","0.0461","","","0.1144","0.1223","","","","","","1.082","","","","has coordinates","243301","2020-10-21","18:00:00",""
"4133545","6.45","0.00012","10.41727","0.00014","14.8501","0.0002","90","","99.2411","0.0017","90","","984.85","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0294","0.0278","","","0.0742","0.0755","","","","","","1.055","","","","has coordinates","243302","2020-10-21","18:00:00",""
"4133546","11.49513","0.00016","7.96423","0.0001","10.68229","0.00019","90","","109.079","0.0017","90","","924.24","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Verbraeken, Bart; Hullaert, Jan; van Guyse, Joachim; Van Hecke, Kristof; Winne, Johan; Hoogenboom, Richard","The Elusive Seven-Membered Cyclic Imino Ether Tetrahydrooxazepine.","Journal of the American Chemical Society","2018","140","50","17404","17408","10.1021/jacs.8b10918","","x-ray","1.54184","CuKα","","0.0376","0.0355","","","0.0928","0.095","","","","","","1.063","","","","has coordinates","243303","2020-10-21","18:00:00",""
"4133553","22.7496","0.0003","22.7496","0.0003","22.7496","0.0003","90","","90","","90","","11773.9","0.3","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","ZrTpmC*-CuI Metal-Organic Framework","- C206.85 Cu4.8 I4.8 N48 O157.62 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","- C206.852 Cu4.8 I4.8 N48 O157.616 Zr18 -","1","0.0208333","","Sun, Chenyue; Skorupskii, Grigorii; Dou, Jin-Hu; Wright, Ashley M.; Dincă, Mircea","Reversible Metalation and Catalysis with a Scorpionate-like Metallo-ligand in a Metal-Organic Framework.","Journal of the American Chemical Society","2018","140","50","17394","17398","10.1021/jacs.8b11085","","x-ray","0.412747","synchrotron","","","","","","","","","","3.385","","","","","","","has coordinates","243310","2020-10-21","18:00:00",""
"4133554","7.7628","0.0004","9.63","0.0004","16.0084","0.0006","84.37","0.003","88.502","0.004","70.429","0.004","1122.11","0.09","93.15","","93.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","x-ray","1.54184","CuKα","","0.0888","0.075","","","0.1959","0.2082","","","","","","1.039","","","","has coordinates","243311","2020-10-21","18:00:00",""
"4133555","7.7432","0.0003","9.6665","0.0004","16.3637","0.0009","84.384","0.004","76.739","0.004","71.034","0.004","1127.08","0.09","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","- C58 H66 N2 O4 -","1","0.5","","Okamoto, Yuta; Tanioka, Masaru; Muranaka, Atsuya; Miyamoto, Kazunori; Aoyama, Tetsuya; Ouyang, Xingmei; Kamino, Shinichiro; Sawada, Daisuke; Uchiyama, Masanobu","Stable Thiele's Hydrocarbon Derivatives Exhibiting Near-Infrared Absorption/Emission and Two-Step Electrochromism.","Journal of the American Chemical Society","2018","140","51","17857","17861","10.1021/jacs.8b11092","","","1.54184","CuKα","","0.0757","0.0655","","","0.1701","0.1792","","","","","","1.044","","","","has coordinates,has disorder","243312","2020-10-21","18:00:00",""
"4133556","10.729","0.002","20.345","0.004","16.436","0.003","90","","90.71","0.03","90","","3587.4","1.2","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H45 Li N8 Si0.97 -","- C36 H45 Li N8 Si0.9685 -","- C144 H180 Li4 N32 Si3.874 -","4","2","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1132","0.0543","","","0.0968","0.1157","","","","","","1.006","","","","has coordinates,has disorder","243313","2020-10-21","18:00:00",""
"4133557","9.009","0.0018","13.671","0.003","11.931","0.002","90","","108.59","0.03","90","","1392.8","0.5","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl2 K N4 Si -","- C29 H34 Cl2 K N4 Si -","- C58 H68 Cl4 K2 N8 Si2 -","2","1","","Ebner, Fabian; Greb, Lutz","Calix[4]pyrrole Hydridosilicate: The Elusive Planar Tetracoordinate Silicon Imparts Striking Stability to Its Anionic Silicon Hydride.","Journal of the American Chemical Society","2018","140","50","17409","17412","10.1021/jacs.8b11137","","","0.71073","MoKα","","0.1427","0.065","","","0.1177","0.1454","","","","","","1.015","","","","has coordinates","243314","2020-10-21","18:00:00",""
"4133558","5.9083","0.0009","13.523","0.002","21.616","0.003","90","","90","","90","","1727.1","0.4","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O P -","- C20 H25 O P -","- C80 H100 O4 P4 -","4","1","","Nie, Shao-Zhen; Davison, Ryan T.; Dong, Vy M.","Enantioselective Coupling of Dienes and Phosphine Oxides.","Journal of the American Chemical Society","2018","140","48","16450","16454","10.1021/jacs.8b11150","","","0.71073","MoKα","","0.0253","0.0246","","","0.0671","0.0678","","","","","","1.034","","","","has coordinates","243315","2020-10-21","18:00:00",""
"4133559","32.5147","0.0006","32.5147","0.0006","37.7674","0.0008","90","","90","","90","","39927.9","1.3","150","0.1","150","0.1","","","","","","","","8","I 4 2 2","I 4 2","97","","","","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C508.8 H317.76 B16 F64 Fe8 N120 O7.68 Pd6 -","- C1017.6 H635.52 B32 F128 Fe16 N240 O15.36 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.0883","0.0624","","","0.1669","0.1808","","","","","","0.88","","","","has coordinates","243316","2020-10-21","18:00:00",""
"4133560","32.3616","0.0012","32.3616","0.0012","37.4948","0.0019","90","","90","","90","","39267","3","150","0.1","150","0.1","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C488 H303.2 Fe8 N120 O5.6 Pd6 -","- C976 H606.4 Fe16 N240 O11.2 Pd12 -","2","0.125","","Hou, Ya-Jun; Wu, Kai; Wei, Zhang-Wen; Li, Kang; Lu, Yu-Lin; Zhu, Cheng-Yi; Wang, Jing-Si; Pan, Mei; Jiang, Ji-Jun; Li, Guang-Qin; Su, Cheng-Yong","Design and Enantioresolution of Homochiral Fe(II)-Pd(II) Coordination Cages from Stereolabile Metalloligands: Stereochemical Stability and Enantioselective Separation.","Journal of the American Chemical Society","2018","140","51","18183","18191","10.1021/jacs.8b11152","","","1.54184","CuKα","","0.1755","0.1029","","","0.2742","0.3318","","","","","","0.932","","","","has coordinates","243317","2020-10-21","18:00:00",""
"4133561","12.3928","0.0006","15.6251","0.0007","18.2747","0.0009","82.203","0.004","81.506","0.004","76.519","0.004","3384.5","0.3","127.6","","127.6","","","","","","","","","6","P -1","-P 1","2","","","","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","- C126 H139 Br20 I N2 O20 -","1","0.5","","Hua, Bin; Zhou, Wei; Yang, Zhaoliang; Zhang, Zhihua; Shao, Li; Zhu, Haiming; Huang, Feihe","Supramolecular Solid-State Microlaser Constructed from Pillar[5]arene-Based Host-Guest Complex Microcrystals.","Journal of the American Chemical Society","2018","140","46","15651","15654","10.1021/jacs.8b11156","","","0.71073","MoKα","","0.1271","0.0757","","","0.1686","0.2031","","","","","","1.035","","","","has coordinates,has disorder","243318","2020-10-21","18:00:00",""
"4133562","29.325","0.003","18.3887","0.0007","37.359","0.003","90","","111.838","0.01","90","","18700","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C192 H132 F20 N8 -","- C192 H132 F20 N8 -","- C768 H528 F80 N32 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1795","0.0919","","","0.2145","0.2898","","","","","","0.946","","","","has coordinates","243319","2020-10-21","18:00:00",""
"4133563","40.02","0.001","14.0404","0.0003","43.5179","0.0009","90","","111.986","0.003","90","","22674.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C208 H136 F44 N8 O16 -","- C208 H136 F44 N8 O16 -","- C832 H544 F176 N32 O64 -","4","1","","Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.","Three-Dimensional Fully Conjugated Carbaporphyrin Cage.","Journal of the American Chemical Society","2018","140","48","16455","16459","10.1021/jacs.8b11158","","","1.54184","CuKα","","0.1301","0.1032","","","0.2978","0.3306","","","","","","1.033","","","","has coordinates,has disorder","243320","2020-10-21","18:00:00",""
"4133564","16.199","0.004","13.062","0.003","23.636","0.006","90","","96.243","0.007","90","","4972","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H75 N3 P2 Zr -","- C49 H75 N3 P2 Zr -","- C196 H300 N12 P8 Zr4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0634","0.0477","","","0.1294","0.1415","","","","","","1.081","","","","has coordinates,has disorder","243321","2020-10-21","18:00:00",""
"4133565","17.0256","0.0008","15.8891","0.0007","32.2683","0.0015","90","","90","","90","","8729.3","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H62 N8 P2 Zr -","- C44 H62 N8 P2 Zr -","- C352 H496 N64 P16 Zr8 -","8","1","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.1009","0.0556","","","0.0985","0.1143","","","","","","1.062","","","","has coordinates,has disorder","243322","2020-10-21","18:00:00",""
"4133566","14.569","0.002","14.569","0.002","27.444","0.004","90","","90","","90","","5825.1","1.4","100","2","100","","","","","","","","","7","P 42 21 2","P 4n 2n","94","","","","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C124 H172 Li2 N6 O2 P4 Zr2 -","- C248 H344 Li4 N12 O4 P8 Zr4 -","2","0.25","","Grant, Lauren N.; Pinter, Balazs; Gu, Jun; Mindiola, Daniel J.","Molecular Zirconium Nitride Super Base from a Mononuclear Parent Imide.","Journal of the American Chemical Society","2018","140","50","17399","17403","10.1021/jacs.8b11198","","","0.71073","MoKα","","0.0315","0.028","","","0.0643","0.0659","","","","","","1.066","","","","has coordinates,has disorder","243323","2020-10-21","18:00:00",""
"4133571","12.85953","0.00027","8.3632","0.00015","14.53708","0.00024","90","","71.2596","0.0088","90","","1480.53","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K2Rubrene","","- C42 H28 K2 -","- C42 H28 K2 -","- C84 H56 K4 -","2","0.5","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","powder diffraction","x-ray","0.825865","","","","","","","","","","","4.84","","","","","","","has coordinates","243328","2020-10-21","18:00:00",""
"4133572","13.0398","0.0004","11.6254","0.0003","18.7191","0.0006","90","","108.991","0.004","90","","2683.23","0.15","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26.16 -","- C42 H26.16 -","- C168 H104.64 -","4","1","","Zhang, Jiliang; Whitehead, George F. S.; Manning, Troy D.; Stewart, David; Hiley, Craig I.; Pitcher, Michael J.; Jansat, Susanna; Prassides, Kosmas; Rosseinsky, Matthew J.","Reactivity of Solid Rubrene with Potassium: Competition between Intercalation and Molecular Decomposition.","Journal of the American Chemical Society","2018","140","51","18162","18172","10.1021/jacs.8b11231","","x-ray","0.71073","MoKα","","0.081","0.0558","","","0.1265","0.1394","","","","","","1.042","","","","has coordinates,has disorder","243329","2020-10-21","18:00:00",""
"4133574","16.2359","0.0003","16.4096","0.0003","17.4876","0.0003","90","","111.339","0.002","90","","4339.71","0.15","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H73 Fe N P2 Si -","- C42 H73 Fe N P2 Si -","- C168 H292 Fe4 N4 P8 Si4 -","4","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","0.71073","MoKα","","0.0969","0.0541","","","0.1044","0.1186","","","","","","1.022","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133575","23.62428","0.00011","23.62428","0.00011","15.31409","0.00013","90","","90","","90","","8546.89","0.09","120","1","120","1","","","","","","","","5","I -4","I -4","82","","","","- C45 H69 Fe N P2 -","- C45 H69 Fe N P2 -","- C360 H552 Fe8 N8 P16 -","8","1","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0419","0.0395","","","0.1095","0.1119","","","","","","1.069","","","","has coordinates,has disorder","243331","2020-10-21","18:00:00",""
"4133576","25.6211","0.0003","13.0431","0.0002","47.8048","0.0007","90","","102.544","0.0013","90","","15594","0.4","120","1","120","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C39.25 H66 Fe N P2 -","- C38 H63 Fe N P2 -","- C608 H1008 Fe16 N16 P32 -","16","4","","Ott, Jonas C.; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Taking Solution Proton NMR to Its Extreme: Prediction and Detection of a Hydride Resonance in an Intermediate-Spin Iron Complex.","Journal of the American Chemical Society","2018","140","50","17413","17417","10.1021/jacs.8b11330","","x-ray","1.54184","CuKα","","0.0734","0.0522","","","0.1121","0.1203","","","","","","1.019","","","","has coordinates","243331","2020-10-21","18:00:00",""
"4133577","15.8118","0.0009","14.5805","0.0008","17.8689","0.001","90","","97.245","0.004","90","","4086.7","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C104 H112 B2 Co2 N4 S2 -","- C104 H112 B2 Co2 N4 S2 -","- C208 H224 B4 Co4 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1268","0.1008","","","0.1696","0.185","","","","","","1.402","","","","has coordinates","243332","2020-10-21","18:00:00",""
"4133578","10.3742","0.0003","20.3276","0.0005","14.6088","0.0004","90","","105.28","0.001","90","","2971.84","0.14","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B2 Cl6 N4 S2 -","- C66 H54 B2 Cl6 N4 S2 -","- C132 H108 B4 Cl12 N8 S4 -","2","0.5","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.0604","0.0545","","","0.1519","0.1577","","","","","","1.075","","","","has coordinates,has disorder","243333","2020-10-21","18:00:00",""
"4133579","23.9213","0.0009","17.921","0.0007","32.1974","0.0013","90","","90","","90","","13802.8","0.9","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C70.75 H67.5 B2 Cl9.5 N4 S2 Sb -","- C566 H540 B16 Cl76 N32 S16 Sb8 -","8","1","","Zhu, Congzhi; Ji, Xiaozhou; You, Di; Chen, Teresa L.; Mu, Anthony U.; Barker, Kayla P.; Klivansky, Liana M.; Liu, Yi; Fang, Lei","Extraordinary Redox Activities in Ladder-Type Conjugated Molecules Enabled by B ←N Coordination-Promoted Delocalization and Hyperconjugation.","Journal of the American Chemical Society","2018","140","51","18173","18182","10.1021/jacs.8b11337","","","1.54178","CuKα","","0.1131","0.0921","","","0.1843","0.196","","","","","","1.09","","","","has coordinates,has disorder","243334","2020-10-21","18:00:00",""
"4133580","17.6886","0.0003","14.3121","0.0002","19.8456","0.0002","90","","90","","90","","5024.13","0.12","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C50 H66 N4 Ni Si2 -","- C50 H66 N4 Ni Si2 -","- C200 H264 N16 Ni4 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.065","0.0513","","","0.1229","0.1347","","","","","","1.033","","","","has coordinates,has disorder","243335","2020-10-21","18:00:00",""
"4133581","14.768","0.0005","10.4696","0.0004","25.1558","0.0008","90","","98.675","0.003","90","","3845","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 O2 Si2 -","- C42 H54 N4 O2 Si2 -","- C168 H216 N16 O8 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0755","0.0471","","","0.1088","0.1244","","","","","","1.004","","","","has coordinates","243336","2020-10-21","18:00:00",""
"4133582","12.6253","0.0004","12.9455","0.0005","16.4249","0.0005","83.107","0.003","84.228","0.003","66.911","0.003","2447.4","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 N4 O Si2 -","- C55 H64 N4 O Si2 -","- C110 H128 N8 O2 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.0454","0.0374","","","0.096","0.1021","","","","","","1.03","","","","has coordinates","243337","2020-10-21","18:00:00",""
"4133583","14.12662","0.00014","10.49281","0.00011","25.5869","0.0003","90","","94.5089","0.0009","90","","3780.96","0.07","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N4 Si2 -","- C42 H54 N4 Si2 -","- C168 H216 N16 Si8 -","4","0.5","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.037","0.0351","","","0.0985","0.1005","","","","","","1.085","","","","has coordinates","243338","2020-10-21","18:00:00",""
"4133584","9.1557","0.0014","35.74","0.004","12.4628","0.0019","90","","96.968","0.013","90","","4048","1","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N4 Si2 -","- C44 H58 N4 Si2 -","- C176 H232 N16 Si8 -","4","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.2076","0.0884","","","0.175","0.2483","","","","","","0.966","","","","has coordinates","243339","2020-10-21","18:00:00",""
"4133585","10.5082","0.0006","13.0458","0.0008","19.448","0.001","76.133","0.005","88.079","0.004","67.359","0.006","2383.8","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C56 H64 N4 Si2 -","- C56 H64 N4 Si2 -","- C112 H128 N8 Si4 -","2","1","","Kostenko, Arseni; Driess, Matthias","Geometrically Compelled Disilene with λ<sup>4</sup>-Coordinate Si<sup>II</sup> Atoms.","Journal of the American Chemical Society","2018","140","49","16962","16966","10.1021/jacs.8b11393","","","1.54184","CuKα","","0.1073","0.0621","","","0.1371","0.167","","","","","","1.01","","","","has coordinates","243340","2020-10-21","18:00:00",""
"4133594","35.0494","0.0009","35.0494","0.0009","35.0494","0.0009","90","","90","","90","","43056.8","1.9","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2.13 H0.5 O2.71 Zr0.5 -","- C2.132 H0.5 O2.70558 Zr0.5 -","- C409.344 H96 O519.472 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.8856","synchrotron","","0.0937","0.0643","","","0.1971","0.2204","","","","","","1.109","","","","has coordinates,has disorder","243349","2020-10-21","18:00:00",""
"4133595","35.0221","0.0015","35.0221","0.0015","35.0221","0.0015","90","","90","","90","","42956","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.9 H0.55 O2.77 Zr0.5 -","- C1.9 H0.5 O2.77223 Zr0.5 -","- C364.8 H96 O532.269 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","x-ray","0.9538","synchrotron","","0.065","0.057","","","0.2085","0.2224","","","","","","1.158","","","","has coordinates,has disorder","243350","2020-10-21","18:00:00",""
"4133596","35.0104","0.0014","35.0104","0.0014","35.0104","0.0014","90","","90","","90","","42913","3","100","","100","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C1.74 H0.5 O2.83 Zr0.5 -","- C1.74165 H0.5 O2.83332 Zr0.5 -","- C334.397 H96 O543.998 Zr96 -","192","1","","Baek, Jayeon; Rungtaweevoranit, Bunyarat; Pei, Xiaokun; Park, Myeongkee; Fakra, Sirine C.; Liu, Yi-Sheng; Matheu, Roc; Alshmimri, Sultan A.; Alshehri, Saeed; Trickett, Christopher A.; Somorjai, Gabor A.; Yaghi, Omar M.","Bioinspired Metal-Organic Framework Catalysts for Selective Methane Oxidation to Methanol.","Journal of the American Chemical Society","2018","140","51","18208","18216","10.1021/jacs.8b11525","","","0.9537","synchrotron","","0.0606","0.0533","","","0.1729","0.1813","","","","","","1.134","","","","has coordinates,has disorder","243351","2020-10-21","18:00:00",""
"4133601","13.14495","0.00015","13.47863","0.00012","22.0101","0.0002","76.341","0.0008","78.4708","0.0009","62.6282","0.001","3346.23","0.07","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C64 H65 B F24 Ir N3 O P2 -","- C64 H65 B F24 Ir N3 O P2 -","- C128 H130 B2 F48 Ir2 N6 O2 P4 -","2","2","","Salomó, Ernest; Gallen, Albert; Sciortino, Giuseppe; Ujaque, Gregori; Grabulosa, Arnald; Lledós, Agustí; Riera, Antoni; Verdaguer, Xavier","Direct Asymmetric Hydrogenation of N-Methyl and N-Alkyl Imines with an Ir(III)H Catalyst.","Journal of the American Chemical Society","2018","140","49","16967","16970","10.1021/jacs.8b11547","","","0.71075","MoKα","","0.0741","0.054","","","0.165","0.1878","","","","","","1.092","","","","has coordinates,has disorder","243357","2020-10-21","18:00:00",""
"4133609","9.1811","0.0008","12.1939","0.001","16.6464","0.0014","87.574","0.004","77.784","0.003","86.681","0.003","1817.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C33 H35 Cl F3 Fe O8 P3 Pt S -","- C66 H70 Cl2 F6 Fe2 O16 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0489","0.0339","","","0.0591","0.0627","","","","","","1.02","","","","has coordinates","243359","2020-10-21","18:00:00",""
"4133610","12.02","0.004","14.966","0.004","21.674","0.007","74.877","0.011","79.712","0.018","89.614","0.012","3700","2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C148 H140 Cl4 F12 Fe4 O16 P12 Pt4 S4 -","4","2","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0448","0.0262","","","0.0493","0.0531","","","","","","1.007","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133611","10.9388","0.0019","12.077","0.003","15.114","0.005","88.291","0.007","74.307","0.011","79.727","0.009","1891.1","0.9","221","","221","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0735","0.0421","","","0.0693","0.0766","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133612","10.966","0.003","12.151","0.004","15.127","0.006","88.301","0.008","74.446","0.012","79.668","0.012","1910","1.1","293","","293","","","","","","","","","9","P -1","-P 1","2","","","","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C37 H35 Cl F3 Fe O4 P3 Pt S -","- C74 H70 Cl2 F6 Fe2 O8 P6 Pt2 S2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.1019","0.0487","","","0.0712","0.0816","","","","","","1.029","","","","has coordinates,has disorder","243360","2020-10-21","18:00:00",""
"4133613","10.6888","0.0012","11.6609","0.0014","14.5386","0.0017","93.888","0.004","102.803","0.004","97.548","0.004","1742.9","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H35 B Cl F4 Fe O P3 Pt -","- C36 H35 B Cl F4 Fe O P3 Pt -","- C72 H70 B2 Cl2 F8 Fe2 O2 P6 Pt2 -","2","1","","Xing, Xiangyou; Xu, Chen; Chen, Bo; Li, Chengcheng; Virgil, Scott C.; Grubbs, Robert H.","Highly Active Platinum Catalysts for Nitrile and Cyanohydrin Hydration: Catalyst Design and Ligand Screening via High-Throughput Techniques.","Journal of the American Chemical Society","2018","140","50","17782","17789","10.1021/jacs.8b11667","","","0.71073","MoKα","","0.0285","0.0222","","","0.051","0.0592","","","","","","1.181","","","","has coordinates","243361","2020-10-21","18:00:00",""
"4133614","18.7227","0.0002","16.83446","0.00017","11.12873","0.00014","90","","94.7276","0.0011","90","","3495.69","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H57 F4 Ni P -","- C35 H51 F4 Ni P -","- C140 H204 F16 Ni4 P4 -","4","1","","Kawashima, Takuya; Ohashi, Masato; Ogoshi, Sensuke","Selective Catalytic Formation of Cross-Tetramers from Tetrafluoroethylene, Ethylene, Alkynes, and Aldehydes via Nickelacycles as Key Reaction Intermediates.","Journal of the American Chemical Society","2018","140","50","17423","17427","10.1021/jacs.8b11671","","x-ray","1.54184","CuKα","","0.0353","0.0324","","","0.0857","0.088","","","","","","1.063","","","","has coordinates","243362","2020-10-21","18:00:00",""
"4133631","9.4406","0.0002","11.4272","0.0003","20.2122","0.0005","90","","97.538","0.002","90","","2161.64","0.09","100","2","100","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.0424","0.0373","","","0.0935","0.0969","","","","","","1.036","","","","has coordinates","243370","2020-10-21","18:00:00",""
"4133632","14.588","0.002","5.3289","0.0008","23.934","0.004","90","","99.081","0.004","90","","1837.3","0.5","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","0.71073","MoKα","","0.0594","0.044","","","0.0988","0.1059","","","","","","1.02","","","","has coordinates","243371","2020-10-21","18:00:00",""
"4133633","9.4479","0.0006","15.9921","0.0011","30.118","0.002","90","","97.482","0.006","90","","4511.8","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O4 -","- C26 H29 N O4 -","- C208 H232 N8 O32 -","8","2","","Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.","Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.","Journal of the American Chemical Society","2018","140","51","17878","17883","10.1021/jacs.8b11942","","x-ray","1.54178","CuKα","","0.1044","0.0711","","","0.1761","0.1947","","","","","","1.082","","","","has coordinates","243372","2020-10-21","18:00:00",""
"4133650","6.84","0.03","7.717","0.019","18.32","0.04","81.71","0.09","85.48","0.1","72.46","0.07","912","5","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F N O3 Si -","- C19 H20 F N O3 Si -","- C38 H40 F2 N2 O6 Si2 -","2","1","","Li, Ting; Zhang, Liming","Bifunctional Biphenyl-2-ylphosphine Ligand Enables Tandem Gold-Catalyzed Propargylation of Aldehyde and Unexpected Cycloisomerization.","Journal of the American Chemical Society","2018","140","50","17439","17443","10.1021/jacs.8b12478","","","0.71073","MoKα","","0.1109","0.0745","","","0.2064","0.2328","","","","","","1.044","","","","has coordinates","243387","2020-10-21","18:00:00",""
"4135643","10.8289","0.0002","10.8289","0.0002","10.8289","0.0002","90","","90","","90","","1269.85","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.28942","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.4082","","","","","","","","has coordinates","280894","2023-02-14","15:53:00",""
"4135644","10.77006","0.00018","10.77006","0.00018","10.77006","0.00018","90","","90","","90","","1249.26","0.04","293","2","293","2","","","","","","","","4","P -4 3 n","P -4n 2 3","218","","","","- Cu26 S32 Sn6 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","- Cu26.001 S32.0012 Sn6.00024 V2 -","1","0.0416667","","Bourges, C.; Bouyrie, Y.; Supka, A.R.; Al Rahal Al Orabi, R.; Lemoine, P.; Lebedev, O.I.; Ohta, M.; Suekuni, K.; Nassif, V.; Hardy, V.; Daou, R.; Miyazaki, Y.; Fornari, M.; Guilmeau, E.","'High-performance thermoelectric bulk colusite by process controlled structural disordering'","Journal of the American Chemical Society","2018","140","6","2186","2195","10.1021/jacs.7b11224","powder diffraction","","1.2885","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.6458","","","","","","","","has coordinates","280895","2023-02-14","15:53:44",""
"4345989","7.544","0.003","22.622","0.007","29.797","0.004","90","","90","","90","","5085","3","293","2","293","2","","","","","","","","2","P 2 2 21","P 2c 2","17","","Cu2-xTe","","- Cu31 Te24 -","- Cu31 Te24 -","- Cu124 Te96 -","4","1","","Mugnaioli, Enrico; Gemmi, Mauro; Tu, Renyong; David, Jeremy; Bertoni, Giovanni; Gaspari, Roberto; De Trizio, Luca; Manna, Liberato","Ab Initio Structure Determination of Cu2–xTe Plasmonic Nanocrystals by Precession-Assisted Electron Diffraction Tomography and HAADF-STEM Imaging","Inorganic Chemistry","2018","57","16","10241","10248","10.1021/acs.inorgchem.8b01445","","electron","0.0335","electron","","0.4757","0.4655","","","0.7306","0.7482","","","","","","2.66","","","","has coordinates","275239","2022-05-09","00:33:27",""
"4349449","9.919","0.002","12.511","0.003","22.446","0.005","90","0","91.75","0.03","90","0","2784.2","1.1","100","2","100","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","my_job","","","- C20 H30 Mg -","- C20 H30 Mg -","- C120 H180 Mg6 -","6","1.5","","Pal, Rumpa; Mebs, Stefan; Shi, Ming W.; Jayatilaka, Dylan; Krzeszczakowska, Joanna M.; Malaspina, Lorraine A.; Wiecko, Michal; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Beckmann, Jens; Grabowsky, Simon","Linear MgCp*<sub>2</sub> vs Bent CaCp*<sub>2</sub>: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.","Inorganic chemistry","2018","57","9","4906","4920","10.1021/acs.inorgchem.7b03079","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has disorder","233996","2020-10-21","18:00:00",""
"4349450","9.6254","0.0003","12.2852","0.0004","30.7537","0.0009","90","","96.265","0.001","90","","3614.91","0.19","12","1","12","1","","","","","","","synthesis","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Ca -","- C20 H30 Ca -","- C160 H240 Ca8 -","8","2","","Pal, Rumpa; Mebs, Stefan; Shi, Ming W.; Jayatilaka, Dylan; Krzeszczakowska, Joanna M.; Malaspina, Lorraine A.; Wiecko, Michal; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Beckmann, Jens; Grabowsky, Simon","Linear MgCp*<sub>2</sub> vs Bent CaCp*<sub>2</sub>: London Dispersion, Ligand-Induced Charge Localizations, and Pseudo-Pregostic C-H···Ca Interactions.","Inorganic chemistry","2018","57","9","4906","4920","10.1021/acs.inorgchem.7b03079","","x-ray","0.41328","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has disorder","233998","2020-10-21","18:00:00",""
"4349734","5.81","0.005","12.77","0.005","12.865","0.005","84.543","0.005","81.308","0.005","78.412","0.005","922.2","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H16 Cl2 I N4 O P Pt -","- C15 H16 Cl2 I N4 O P Pt -","- C30 H32 Cl4 I2 N8 O2 P2 Pt2 -","2","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71069","MoKα","","0.0348","0.0288","","","0.0544","0.058","","","","","","1.022","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349735","9.4359","0.0006","6.7378","0.0004","10.5414","0.0005","90","","97.352","0.005","90","","664.68","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 Cl N2 O4 Pt S -","- C11 H11 Cl N2 O4 Pt S -","- C22 H22 Cl2 N4 O8 Pt2 S2 -","2","0.5","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0429","0.0384","","","0.0814","0.0833","","","","","","1.103","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349736","19.3571","0.0007","6.8349","0.0003","25.199","0.001","90","","95.245","0.004","90","","3320","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Cl3 N2 O4 Pt S -","- C12 H13 Cl3 N2 O4 Pt S -","- C96 H104 Cl24 N16 O32 Pt8 S8 -","8","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0295","0.0248","","","0.0506","0.0527","","","","","","1.047","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349737","23.9829","0.0005","10.1789","0.0003","20.8153","0.0005","90","","103.822","0.002","90","","4934.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl3 N O2.33333 Pt S -","- C13 H14 Cl3 N O2.33333 Pt S -","- C156 H168 Cl36 N12 O28 Pt12 S12 -","12","3","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71073","MoKα","","0.0358","0.0247","","","0.0423","0.0448","","","","","","0.983","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4349738","5.8236","0.0003","9.9683","0.0006","17.4696","0.0009","86.328","0.004","88.63","0.004","73.328","0.005","969.49","0.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H16 Cl I2 N4 O P Pt -","- C15 H16 Cl I2 N4 O P Pt -","- C30 H32 Cl2 I4 N8 O2 P2 Pt2 -","2","1","","Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.","A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity","Inorganic Chemistry Frontiers","2018","5","1","39","","10.1039/C7QI00299H","","","0.71069","MoKα","","0.0422","0.0327","","","0.0599","0.0652","","","","","","1.011","","","","has coordinates","235778","2020-10-21","18:00:00",""
"4349751","7.369","0.002","10.914","0.003","14.365","0.005","69.058","0.011","83.58","0.015","72.354","0.011","1028.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","4-anilinoquinazoline derivative","","- C20 H21 Cl F N5 O4 -","- C20 H21 Cl F N5 O4 -","- C40 H42 Cl2 F2 N10 O8 -","2","1","","Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi","Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents","Inorganic Chemistry Frontiers","2018","5","2","413","","10.1039/C7QI00346C","","","0.71073","MoKα","","0.0698","0.0614","","","0.1484","0.156","","","","","","1.1","","","","has coordinates","235793","2020-10-21","18:00:00",""
"4349752","19.794","0.005","7.7967","0.0018","23.287","0.006","90","","106.577","0.004","90","","3444.5","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","cyclometalated platinum","","- C20.5 H14 Cl2 N2 Pt -","- C20.5 H14 Cl2 N2 Pt -","- C164 H112 Cl16 N16 Pt8 -","8","1","","Zhang, Yang; Luo, Qun; Zheng, Wei; Wang, Zhaoying; Lin, Yu; Zhang, Erlong; Lü, Shuang; Xiang, Junfeng; Zhao, Yao; Wang, Fuyi","Luminescent cyclometallated platinum(ii) complexes: highly promising EGFR/DNA probes and dual-targeting anticancer agents","Inorganic Chemistry Frontiers","2018","5","2","413","","10.1039/C7QI00346C","","","0.71073","MoKα","","0.063","0.0554","","","0.1161","0.1214","","","","","","1.133","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4349768","14.627","0.004","5.715","0.0018","20.939","0.007","90","","94.995","0.01","90","","1743.7","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Pd(LH)2","","","- C14 H16 Cl N4 O Pd0.5 S2 -","- C14 H16 Cl N4 O Pd0.5 S2 -","- C56 H64 Cl4 N16 O4 Pd2 S8 -","4","1","","Matesanz, Ana I.; Jimenez-Faraco, Eva; Ruiz, María C.; Balsa, Lucia M.; Navarro-Ranninger, Carmen; León, Ignacio E.; Quiroga, Adoracion G.","Mononuclear Pd(ii) and Pt(ii) complexes with an α-N-heterocyclic thiosemicarbazone: cytotoxicity, solution behaviour and interaction versus proven models from biological media","Inorganic Chemistry Frontiers","2018","5","1","73","","10.1039/C7QI00446J","","","0.71073","","","0.0682","0.0403","","","0.1064","0.1297","","","","","","1.083","","","","has coordinates","235813","2020-10-21","18:00:00",""
"4349769","16.065","0.002","16.647","0.002","12.6489","0.0016","90","","95.039","0.003","90","","3369.7","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Au N2 P -","- C36 H44 Au N2 P -","- C144 H176 Au4 N8 P4 -","4","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0227","0.0174","","","0.0399","0.042","","","","","","1.04","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349770","10.2908","0.0004","12.7994","0.0003","13.1593","0.0004","105.118","0.002","91.445","0.003","101.445","0.002","1634.6","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H20 Au Cl2 N3 O8 Pb -","- C27 H20 Au Cl2 N3 O8 Pb -","- C54 H40 Au2 Cl4 N6 O16 Pb2 -","2","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","x-ray","1.54184","CuKα","","0.0613","0.0567","","","0.1452","0.151","","","","","","1.017","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349771","15.9964","0.0017","7.9167","0.0009","34.774","0.004","90","","90","","90","","4403.7","0.9","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H20 Au N3 -","- C27 H20 Au N3 -","- C216 H160 Au8 N24 -","8","2","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0656","0.0381","","","0.0833","0.093","","","","","","1.017","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349772","12.5244","0.0008","16.115","0.0011","14.6106","0.001","90","","102.486","0.001","90","","2879.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Au F5 N2 P -","- C34 H21 Au F5 N2 P -","- C136 H84 Au4 F20 N8 P4 -","4","1","","Solovyev, Igor V.; Kondinski, Aleksandar; Monakhov, Kirill Yu.; Koshevoy, Igor O.; Grachova, Elena V.","Synthesis, photophysical properties and cation-binding studies of bipyridine-functionalized gold(i) complexes","Inorganic Chemistry Frontiers","2018","5","1","160","","10.1039/C7QI00514H","","","0.71073","MoKα","","0.0592","0.0353","","","0.0703","0.0774","","","","","","1.064","","","","has coordinates","235816","2020-10-21","18:00:00",""
"4349780","14.488","0.016","10.021","0.011","16.448","0.018","90","","90","","90","","2388","5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Cs O12 P3 Zn4 -","- Cs O12 P3 Zn4 -","- Cs8 O96 P24 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0664","0.0394","","","0.0825","0.095","","","","","","1.03","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349781","14","0.03","9.827","0.018","16.04","0.03","90","","90","","90","","2207","7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- O12 P3 Rb Zn4 -","- O12 P3 Rb Zn4 -","- O96 P24 Rb8 Zn32 -","8","1","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.0791","0.0494","","","0.1101","0.1268","","","","","","1.07","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349782","5.048","0.003","14.368","0.008","8.111","0.004","90","","107.797","0.006","90","","560.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- B Cs O11 P2 Zn4 -","- B Cs O11 P2 Zn4 -","- B2 Cs2 O22 P4 Zn8 -","2","0.5","","Guo, Fengjiao; Hu, Cong; Wang, Ying; Han, Jian; Yang, Zhihua; Pan, Shilie","Insights of BO3‒PO4 replacement for the design and synthesis of a new borate‒phosphate with unique 1∞[Zn4BO11] chains and two new phosphates","Inorganic Chemistry Frontiers","2018","5","2","327","","10.1039/C7QI00548B","","","0.71073","MoKα","","0.026","0.022","","","0.0498","0.053","","","","","","1.024","","","","has coordinates","235824","2020-10-21","18:00:00",""
"4349786","38.2008","0.0015","8.8262","0.0004","31.1789","0.0013","90","","108.547","0.001","90","","9966.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","JLG-16","","- C24 H0 F10 Ge28 N18 O62 -","- C24 F10 Ge28 N18 O62 -","- C96 F40 Ge112 N72 O248 -","4","0.5","","Liu, Jiancong; Ren, Xiaoyan; Yan, Yan; Wang, Ning; Wang, Shuang; Zhang, Hongyue; Li, Jiyang; Yu, Jihong","A new two-dimensional layered germanate with in situ embedded carbon dots for optical temperature sensing","Inorganic Chemistry Frontiers","2018","5","1","139","","10.1039/C7QI00602K","","","0.71073","MoKα","","0.074","0.0635","","","0.1527","0.1567","","","","","","1.203","","","","has coordinates,has disorder","235830","2020-10-21","18:00:00",""
"4349787","12.3211","0.0012","17.7113","0.0018","17.8335","0.0018","113.202","0.002","94.892","0.003","105.237","0.003","3372","0.6","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H70 B11 Cl1.5 F2 N7 O Zn -","- C71.8 H65.6 B11 Cl1.6 F2 N7 O Zn -","- C143.6 H131.2 B22 Cl3.2 F4 N14 O2 Zn2 -","2","1","","Berksun, Ekin; Nar, Ilgın; Atsay, Armağan; Özçeşmeci, İbrahim; Gelir, Ali; Hamuryudan, Esin","Synthesis and photophysical properties of a porphyrin‒BODIPY dyad and a porphyrin‒o-carborane‒BODIPY triad","Inorganic Chemistry Frontiers","2018","5","1","200","","10.1039/C7QI00608J","","","0.71073","MoKα","","0.3036","0.1364","","","0.3033","0.3856","","","","","","0.991","","","","has coordinates,has disorder","235832","2020-10-21","18:00:00",""
"4349788","15.33411","0.00015","15.33411","0.00015","12.21062","0.00017","90","","90","","90","","2871.14","0.06","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C8.5 H3 Co O5 -","- C8.5 H3 Co O5 -","- C68 H24 Co8 O40 -","8","0.5","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","x-ray","0.71073","MoKα","","0.0475","0.0468","","","0.1362","0.1373","","","","","","0.833","","","","has coordinates","235834","2020-10-21","18:00:00",""
"4349789","15.2512","0.0005","15.2512","0.0005","12.1084","0.0005","90","","90","","90","","2816.4","0.17","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C17.5 H6 Co Ni O10 -","- C17.5 H6 Co Ni O10 -","- C70 H24 Co4 Ni4 O40 -","4","0.25","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","x-ray","1.54184","CuKα","","0.0969","0.0944","","","0.2659","0.2698","","","","","","1.08","","","","has coordinates,has disorder","235834","2020-10-21","18:00:00",""
"4349790","15.2538","0.0001","15.2538","0.0001","12.1148","0.0002","90","","90","","90","","2818.85","0.05","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C17 H6 Ni2 O10 -","- C17 H6 Ni2 O10 -","- C68 H24 Ni8 O40 -","4","0.25","","Yao, Ru-Xin; Fu, Huan-Huan; Yu, Bo; Zhang, Xian-Ming","Chiral metal‒organic frameworks constructed from four-fold helical chain SBUs for enantioselective recognition of α-hydroxy/amino acids","Inorganic Chemistry Frontiers","2018","5","1","153","","10.1039/C7QI00615B","","","0.71073","MoKα","","0.0291","0.0275","","","0.0749","0.0757","","","","","","1.167","","","","has coordinates","235834","2020-10-21","18:00:00",""
"4349791","16.1944","0.0013","22.2882","0.0017","21.5409","0.0018","90","","103.346","0.002","90","","7565.1","1.1","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H88 Eu4 N12 O30 -","- C59 H88 Eu4 N12 O30 -","- C236 H352 Eu16 N48 O120 -","4","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.0338","0.0244","","","0.0575","0.0606","","","","","","1.016","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349792","14.8","0.003","24.707","0.003","21.429","0.002","90","","90","","90","","7836","2","133","2","133","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C62 H84 Cl2 Gd4 N12 O25 -","- C62 H84 Cl2 Gd4 N12 O25 -","- C248 H336 Cl8 Gd16 N48 O100 -","4","0.5","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.024","0.0229","","","0.0555","0.0557","","","","","","1.03","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349793","29.452","0.002","32.301","0.002","19.9402","0.0015","90","","127.72","0.001","90","","15005.2","1.8","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H79 Er4 N13 O25 -","- C60 H79 Er4 N13 O25 -","- C480 H632 Er32 N104 O200 -","8","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.0328","0.0261","","","0.0609","0.0638","","","","","","1.029","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349794","16.219","0.002","22.058","0.003","21.639","0.003","90","","102.577","0.003","90","","7555.8","1.7","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H80 N12 O27 Tb4 -","- C58 H80 N12 O27 Tb4 -","- C232 H320 N48 O108 Tb16 -","4","1","","Chen, Hong-Man; Wang, Wen-Min; Li, Xiao-Qin; Chu, Xiao-Ya; Nie, Yao-Yao; Liu, Zhen; Huang, Shao-Xia; Shen, Hai-Yun; Cui, Jian-Zhong; Gao, Hong-Ling","Luminescence and magnetocaloric effect of Ln4 clusters (Ln = Eu, Gd, Tb, Er) bridged by CO32− deriving from the spontaneous fixation of carbon dioxide in the atmosphere","Inorganic Chemistry Frontiers","2018","5","2","394","","10.1039/C7QI00658F","","","0.71073","MoKα","","0.041","0.033","","","0.0855","0.0884","","","","","","1.04","","","","has coordinates","235837","2020-10-21","18:00:00",""
"4349795","9.72904","0.00017","11.3592","0.0002","24.6724","0.0004","90","","93.8572","0.0017","90","","2720.47","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Dy2 N12 O12 -","- C20 H22 Dy2 N12 O12 -","- C80 H88 Dy8 N48 O48 -","4","1","","Zhang, Xuejing; Xu, Na; Shi, Wei; Wang, Bing-Wu; Cheng, Peng","The influence of an external magnetic field and magnetic-site dilution on the magnetization dynamics of a coordination network based on ferromagnetic coupled dinuclear dysprosium(iii) units","Inorganic Chemistry Frontiers","2018","5","2","432","","10.1039/C7QI00663B","","","0.71073","MoKα","","0.0317","0.0258","","","0.0557","0.059","","","","","","1.059","","","","has coordinates","235840","2020-10-21","18:00:00",""
"4349796","6.4103","0.001","13.4345","0.0018","19.156","0.003","72.349","0.002","80.678","0.002","88.59","0.002","1550.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Cd N2 O20 -","- C28 H25 Cd N2 O20 -","- C56 H50 Cd2 N4 O40 -","2","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0648","0.0554","","","0.1564","0.1833","","","","","","1.071","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349797","9.596","0.0019","9.923","0.002","10.004","0.002","90","","118.6","0.03","90","","836.4","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 O8 Pr -","- C5 O8 Pr -","- C20 O32 Pr4 -","4","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0302","0.0297","","","0.1042","0.1053","","","","","","0.968","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349798","12.136","0.0016","8.2328","0.0011","10.9375","0.0015","90","","90","","90","","1092.8","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H4 Cd N O7 -","- C9 H4 Cd N O7 -","- C36 H16 Cd4 N4 O28 -","4","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0318","0.0257","","","0.064","0.065","","","","","","2.447","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349799","16.2912","0.0019","16.2912","0.0019","16.2912","0.0019","90","","90","","90","","4323.7","0.9","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C96 H96 Mg24 O144 -","24","0.5","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0954","0.0756","","","0.2319","0.2527","","","","","","1.135","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349800","6.3956","0.0006","19.0514","0.0018","27.414","0.002","90","","100.31","0.002","90","","3286.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cd N2 O20 -","- C30 H30 Cd N2 O20 -","- C120 H120 Cd4 N8 O80 -","4","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0496","0.0429","","","0.1084","0.1123","","","","","","1.172","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349801","11.956","0.002","8.2251","0.0016","10.12","0.002","90","","96.08","0.03","90","","989.6","0.3","173","2","173","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C12 Eu2 O20 -","- C12 Eu2 O20 -","- C24 Eu4 O40 -","2","1","","Lin, Xiao-Yan; Zhao, Li-Ming; Wang, Dao-Hua; Wang, Yu-Kang; Li, Min; Li, Hao-Hong; Chen, Zhi-Rong","Structural diversities of squarate-based complexes: photocurrent responses and thermochromic behaviours enchanced by viologens","Inorganic Chemistry Frontiers","2018","5","1","189","","10.1039/C7QI00672A","","","0.71073","MoKα","","0.0302","0.0294","","","0.0801","0.0857","","","","","","1.178","","","","has coordinates","235843","2020-10-21","18:00:00",""
"4349802","17.3215","0.001","10.3684","0.0006","14.0444","0.0008","90","","124.831","0.001","90","","2070.4","0.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0267","0.0238","","","0.0478","0.0489","","","","","","0.884","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4349803","17.3808","0.001","10.3874","0.0006","14.2015","0.0013","90","","125.004","0.001","90","","2100.2","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C20 H17 Cl2 N3 O4 S Zn -","- C20 H17 Cl2 N3 O4 S Zn -","- C80 H68 Cl8 N12 O16 S4 Zn4 -","4","1","","Lin, Xiaoling; Liu, Beibei; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","One-step synthesis of ZnS-N/C nanocomposites derived from Zn-based chiral metal‒organic frameworks with highly efficient photocatalytic activity for the selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","3","723","","10.1039/C7QI00693D","","","0.71073","MoKα","","0.0199","0.0189","","","0.0457","0.0461","","","","","","0.989","","","","has coordinates","235846","2020-10-21","18:00:00",""
"4349804","16.1575","0.0011","8.0428","0.0005","11.0622","0.0009","90","","90","","90","","1437.55","0.18","280","2","280","2","","","","","","","","5","P n m a","-P 2ac 2n","62","1-Methylpiperidinium triiodoplumbate(II)","1-Methylpiperidinium triiodoplumbate(II)","","- C12 H27.98 I6 N1.98 Pb2 -","- C12 H27.98 I6 N1.98 Pb2 -","- C24 H55.96 I12 N3.96 Pb4 -","2","0.25","","Zeb, Aurang; Sun, Zhihua; Khan, Asma; Zhang, Shuquan; Khan, Tariq; Asghar, Muhammad Adnan; Luo, Junhua","[C6H14N]PbI3: a one-dimensional perovskite-like order‒disorder phase transition material with semiconducting and switchable dielectric attributes","Inorganic Chemistry Frontiers","2018","5","4","897","","10.1039/C7QI00722A","","","0.71073","MoKα","","0.0607","0.0496","","","0.1181","0.1285","","","","","","1.069","","","","has coordinates,has disorder","235848","2020-10-21","18:00:00",""
"4349805","8.0435","0.0008","15.872","0.0016","11.0048","0.0013","90","","92.088","0.009","90","","1404","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-Methylpiperidinium triiodoplumbate(II)","1-Methylpiperidinium triiodoplumbate(II)","","- C6 H14 I3 N Pb -","- C6 H14 I3 N Pb -","- C24 H56 I12 N4 Pb4 -","4","1","","Zeb, Aurang; Sun, Zhihua; Khan, Asma; Zhang, Shuquan; Khan, Tariq; Asghar, Muhammad Adnan; Luo, Junhua","[C6H14N]PbI3: a one-dimensional perovskite-like order‒disorder phase transition material with semiconducting and switchable dielectric attributes","Inorganic Chemistry Frontiers","2018","5","4","897","","10.1039/C7QI00722A","","","0.71073","MoKα","","0.1197","0.1065","","","0.2949","0.3182","","","","","","1.239","","","","has coordinates","235848","2020-10-21","18:00:00",""
"4349806","10.9049","0.0004","15.0238","0.0004","27.3563","0.0009","90","","100.35","0.004","90","","4408.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Er F9 N10 O11 S3 -","- C27 H34 Er F9 N10 O11 S3 -","- C108 H136 Er4 F36 N40 O44 S12 -","4","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.7107","MoKα","","0.0754","0.0701","","","0.1698","0.1731","","","","","","1.124","","","","has coordinates","235850","2020-10-21","18:00:00",""
"4349807","8.1752","0.0005","11.5352","0.0009","13.1045","0.001","66.989","0.007","72.978","0.006","85.535","0.005","1086.69","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 O10 Yb -","- C14 H20 N9 O10 Yb -","- C28 H40 N18 O20 Yb2 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.058","0.049","","","0.1587","0.1615","","","","","","1.39","","","","has coordinates","235850","2020-10-21","18:00:00",""
"4349808","8.3705","0.0007","9.3039","0.0007","12.7182","0.0009","102.222","0.006","103.692","0.007","102.763","0.006","901.39","0.13","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 Er N8 O10 -","- C11 H15 Er N8 O10 -","- C22 H30 Er2 N16 O20 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.0648","0.0572","","","0.1485","0.1539","","","","","","1.234","","","","has coordinates","235850","2020-10-21","18:00:00",""
"4349809","11.3018","0.0005","13.3845","0.0006","14.5613","0.0004","96.292","0.003","99.214","0.003","107.796","0.004","2040.55","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F9 N10 O9 S3 Yb -","- C25 H26 F9 N10 O9 S3 Yb -","- C50 H52 F18 N20 O18 S6 Yb2 -","2","1","","Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta","New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold","Inorganic Chemistry Frontiers","2018","5","3","605","","10.1039/C7QI00727B","","","0.71073","MoKα","","0.0619","0.0558","","","0.1592","0.1628","","","","","","1.305","","","","has coordinates","235850","2020-10-21","18:00:00",""
"4349810","19.7179","0.0006","9.1613","0.0003","17.4139","0.0006","90","","110.035","0.001","90","","2955.31","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cd2 Cl4 N8 -","- C23 H32 Cd2 Cl4 N8 -","- C92 H128 Cd8 Cl16 N32 -","4","0.5","","Beheshti, Azizolla; Hashemi, Faezeh; Behvandi, Fatemeh; Mayer, Peter; Atzei, Davide","Selective high adsorption capacity for Congo red dye of a new 3D supramolecular complex and its magnetic hybrid","Inorganic Chemistry Frontiers","2018","5","3","694","","10.1039/C7QI00728K","","","0.71073","MoKα","","0.0247","0.0192","","","0.0453","0.0473","","","","","","1.052","","","","has coordinates","235852","2020-10-21","18:00:00",""
"4349811","22.398","0.0012","30.4685","0.001","26.8204","0.0013","90","","90","","90","","18303.1","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C78 H75 Ca4 N3 O27 -","- C78 H75 Ca4 N3 O27 -","- C624 H600 Ca32 N24 O216 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.1532","0.0952","","","0.2368","0.2932","","","","","","0.897","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4349812","12.5932","0.0002","18.4157","0.0004","33.2641","0.0006","90","","90","","90","","7714.4","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H42 Mg2 N2 O15 -","- C41 H42 Mg2 N2 O15 -","- C328 H336 Mg16 N16 O120 -","8","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","1.54184","CuKα","","0.0663","0.0568","","","0.1509","0.1603","","","","","","1.045","","","","has coordinates","235855","2020-10-21","18:00:00",""
"4349813","11.169","0.0006","24.2978","0.0013","33.4201","0.0018","90","","90","","90","","9069.6","0.8","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C86 H97 Ca4 N5 O31 -","- C86 H97 Ca4 N5 O31 -","- C344 H388 Ca16 N20 O124 -","4","0.5","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","0.7749","","","0.052","0.0459","","","0.1222","0.1273","","","","","","1.034","","","","has coordinates,has disorder","235855","2020-10-21","18:00:00",""
"4349814","14.287","0.005","19.257","0.005","19.522","0.005","65.213","0.005","73.212","0.005","75.976","0.005","4623","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H84 N6 O30 Sr4 -","- C84 H90 N6 O30 Sr4 -","- C168 H180 N12 O60 Sr8 -","2","1","","Tang, Yiwen; Kourtellaris, Andreas; Tasiopoulos, Anastasios J.; Teat, Simon J.; Dubbeldam, David; Rothenberg, Gadi; Tanase, Stefania","Selective CO2 adsorption in water-stable alkaline-earth based metal‒organic frameworks","Inorganic Chemistry Frontiers","2018","5","3","541","","10.1039/C7QI00734E","","","0.71073","MoKα","","0.0686","0.0505","","","0.1292","0.1414","","","","","","0.97","","","","has coordinates","235855","2020-10-21","18:00:00",""
"4349815","21.246","0.004","6.9996","0.0014","10.658","0.002","90","","90","","90","","1585","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H13 Au Cl4 N2 -","- C11 H13 Au Cl4 N2 -","- C44 H52 Au4 Cl16 N8 -","4","0.5","","Xu, Zi-Xuan; Zhao, Yong-Lu; Liang, Wen-Ying; Zhou, Pan-Pan; Yang, Ying","A novel N-methylimidazolium-based poly(ionic liquid) to recover trace tetrachloroaurate from aqueous solution based on multiple supramolecular interactions","Inorganic Chemistry Frontiers","2018","5","4","922","","10.1039/C7QI00753A","","","0.71073","MoKα","","0.0605","0.0411","","","0.0731","0.08","","","","","","1.159","","","","has coordinates","235857","2020-10-21","18:00:00",""
"4349816","10.533","0.002","14.728","0.003","20.105","0.004","79.04","0.03","81.09","0.03","89","0.03","3024.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 La N8 O8 -","- C26 H53 Ag6 I9 La N8 O8 -","- C52 H106 Ag12 I18 La2 N16 O16 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1063","0.0849","","","0.2318","0.2428","","","","","","1.122","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349817","13.2935","0.0014","31.479","0.003","13.6059","0.0014","90","","93.06","0.003","90","","5685.5","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 Er I9 N8 O8 -","- C28 H50 Bi2 Er I9 N8 O8 -","- C112 H200 Bi8 Er4 I36 N32 O32 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.0656","0.0497","","","0.1238","0.1313","","","","","","1.034","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349818","10.499","0.002","14.682","0.003","20.146","0.004","79.35","0.03","81.36","0.03","88.86","0.03","3017.2","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 N8 Nd O8 -","- C26 H53 Ag6 I9 N8 Nd O8 -","- C52 H106 Ag12 I18 N16 Nd2 O16 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1032","0.0705","","","0.1869","0.2066","","","","","","1.04","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349819","13.1933","0.0019","31.703","0.004","13.6159","0.0019","90","","93.601","0.002","90","","5683.8","1.3","296","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 I9 N8 O8 Pr -","- C28 H50 Bi2 I9 N8 O8 Pr -","- C112 H200 Bi8 I36 N32 O32 Pr4 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1144","0.0602","","","0.1371","0.158","","","","","","1.036","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349820","13.1331","0.0016","31.137","0.004","13.5282","0.0017","90","","93.366","0.002","90","","5522.5","1.2","175","","175","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Bi2 I9 N8 O8 Pr -","- C28 H50 Bi2 I9 N8 O8 Pr -","- C112 H200 Bi8 I36 N32 O32 Pr4 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.0631","0.0492","","","0.1177","0.1247","","","","","","1.046","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349821","10.455","0.002","14.619","0.003","20.018","0.004","79.58","0.03","80.96","0.03","89.11","0.03","2971.5","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H53 Ag6 I9 N8 O8 Sm -","- C26 H53 Ag6 I9 N8 O8 Sm -","- C52 H106 Ag12 I18 N16 O16 Sm2 -","2","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.2147","0.0935","","","0.2096","0.2623","","","","","","0.943","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349822","13.368","0.003","31.511","0.006","18.594","0.003","90","","132.855","0.01","90","","5742","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Bi2 I9 La N8 O8 -","- C28 H50 Bi2 I9 La N8 O8 -","- C112 H200 Bi8 I36 La4 N32 O32 -","4","1","","Wang, Dao-Hua; Zhao, Li-Ming; Lin, Xiao-Yan; Wang, Yu-Kang; Zhang, Wen-Ting; Song, Kai-Yue; Li, Hao-Hong; Chen, Zhi-Rong","Iodoargentate/iodobismuthate-based materials hybridized with lanthanide-containing metalloviologens: thermochromic behaviors and photocurrent responses","Inorganic Chemistry Frontiers","2018","5","5","1162","","10.1039/C7QI00755H","","","0.71073","MoKα","","0.1235","0.0905","","","0.1906","0.2033","","","","","","1.155","","","","has coordinates","235859","2020-10-21","18:00:00",""
"4349823","11.1554","0.0008","11.5176","0.0008","18.4679","0.0013","99.317","0.002","95.757","0.002","98.084","0.002","2299.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl4 N4 O2 Ru2 -","- C49 H49 Cl4 N4 O2 Ru2 -","- C98 H98 Cl8 N8 O4 Ru4 -","2","1","","Mohamed Kasim, Mohamed Subarkhan; Sundar, Saranya; Rengan, Ramesh","Synthesis and structure of new binuclear ruthenium(ii) arene benzil bis(benzoylhydrazone) complexes: investigation on antiproliferative activity and apoptosis induction","Inorganic Chemistry Frontiers","2018","5","3","585","","10.1039/C7QI00761B","","","1.54178","CuKα","","0.039","0.038","","","0.1174","0.119","","","","","","1.073","","","","has coordinates","235863","2020-10-21","18:00:00",""
"4349824","22.1609","0.0007","8.6759","0.0003","21.592","0.0007","90","","95.762","0.001","90","","4130.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl2 N4 O4 Ru2 -","- C42 H36 Cl2 N4 O4 Ru2 -","- C168 H144 Cl8 N16 O16 Ru8 -","4","1","","Mohamed Kasim, Mohamed Subarkhan; Sundar, Saranya; Rengan, Ramesh","Synthesis and structure of new binuclear ruthenium(ii) arene benzil bis(benzoylhydrazone) complexes: investigation on antiproliferative activity and apoptosis induction","Inorganic Chemistry Frontiers","2018","5","3","585","","10.1039/C7QI00761B","","","0.71073","MoKα","","0.061","0.0475","","","0.0993","0.1039","","","","","","1.11","","","","has coordinates","235863","2020-10-21","18:00:00",""
"4349825","11.006","0.0019","22.801","0.004","24.571","0.004","90","","90","","90","","6166","1.8","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C26 H18 N32 O16 Zn5 -","- C26 H18 N32 O16 Zn5 -","- C104 H72 N128 O64 Zn20 -","4","0.25","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0533","0.0513","","","0.1871","0.1893","","","","","","1.212","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349826","18.363","0.003","15.899","0.002","7.6788","0.0011","90","","90","","90","","2241.9","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N13 O6 Zn2 -","- C16 H11 N13 O6 Zn2 -","- C64 H44 N52 O24 Zn8 -","4","1","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0256","0.0217","","","0.0645","0.0747","","","","","","1.127","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349827","7.624","0.002","9.745","0.003","15.392","0.005","90","","90","","90","","1143.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N7 O2 S Zn -","- C6 H7 N7 O2 S Zn -","- C24 H28 N28 O8 S4 Zn4 -","4","1","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0281","0.0241","","","0.0467","0.0478","","","","","","0.943","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349828","8.7052","0.0017","10.349","0.002","10.742","0.002","90","","90","","90","","967.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Mn N5 O3 -","- C6 H3 Mn N5 O3 -","- C24 H12 Mn4 N20 O12 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.097","0.0722","","","0.1582","0.1682","","","","","","1.154","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349829","9.2234","0.0018","9.795","0.002","10.601","0.002","90","","90","","90","","957.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Mn N2 O5 -","- C7 H4 Mn N2 O5 -","- C28 H16 Mn4 N8 O20 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.1168","0.1066","","","0.2356","0.2422","","","","","","1.155","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349830","14.6341","0.0002","20.1216","0.0004","15.7028","0.0003","90","","91.479","0.002","90","","4622.33","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Mo12 N3 O42 P -","- C18 H22 Mo12 N3 O42 P -","- C72 H88 Mo48 N12 O168 P4 -","4","1","","Mei, Mingliang; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Huo, Yuqiu","Three-dimensional supramolecular phosphomolybdate architecture-derived Mo-based electrocatalytic system for overall water splitting","Inorganic Chemistry Frontiers","2018","5","4","819","","10.1039/C7QI00812K","","","0.71073","MoKα","","0.0349","0.0283","","","0.0771","0.0826","","","","","","0.9","","","","has coordinates","235871","2020-10-21","18:00:00",""
"4349831","11.8132","0.0002","34.5225","0.0005","14.9681","0.0003","90","","101.544","0.0018","90","","5980.82","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H80 Mg3 N2 O18 -","- C114 H80 Mg3 N2 O18 -","- C228 H160 Mg6 N4 O36 -","2","0.5","","Zhang, Minghui; Qi, Ziqiang; Feng, Yang; Guo, Bingbing; Hao, Yujian; Xu, Zhuo; Zhang, Liangliang; Sun, Daofeng","A 2D porous pentiptycene-based MOF for efficient detection of Ba2+ and selective adsorption of dyes from water","Inorganic Chemistry Frontiers","2018","5","6","1314","","10.1039/C8QI00098K","","","1.54184","CuKα","","0.0866","0.0759","","","0.2256","0.2379","","","","","","1.081","","","","has coordinates","236880","2020-10-21","18:00:00",""
"4349832","10.5969","0.0003","14.7104","0.0004","28.7304","0.0007","90","","92.431","0.002","90","","4474.6","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 Cd N6 O4 S -","- C39 H26 Cd N6 O4 S -","- C156 H104 Cd4 N24 O16 S4 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0495","0.0436","","","0.1153","0.1185","","","","","","1.046","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349833","10.1231","0.0002","14.8998","0.0003","28.9502","0.0007","90","","94.192","0.002","90","","4354.94","0.16","100","0.14","100","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cd N7 O6 -","- C43 H35 Cd N7 O6 -","- C172 H140 Cd4 N28 O24 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.1072","0.0987","","","0.2466","0.2511","","","","","","1.189","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349834","21.0432","0.0004","17.4458","0.0003","26.3825","0.0004","90","","111.359","0.0019","90","","9020.2","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C168 H154 Cd5 Cl4 N30 O23 -","- C168 H144 Cd5 Cl2 N30 O23 -","- C336 H288 Cd10 Cl4 N60 O46 -","2","0.5","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0852","0.0764","","","0.2152","0.2235","","","","","","1.05","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349835","21.0221","0.0005","17.4201","0.0005","26.3666","0.0007","90","","111.047","0.003","90","","9011.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H69 Cd2 Cl2 N14 O10 -","- C81 H67 Cd2 Cl2 N14 O10 -","- C324 H268 Cd8 Cl8 N56 O40 -","4","1","","Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong","A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection","Inorganic Chemistry Frontiers","2018","5","7","1622","","10.1039/C8QI00123E","","","1.54184","CuKα","","0.0853","0.0768","","","0.2166","0.2256","","","","","","1.07","","","","has coordinates","236882","2020-10-21","18:00:00",""
"4349836","15.2071","0.0005","12.8077","0.0004","14.8944","0.0005","90","","102.117","0.003","90","","2836.32","0.16","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B2 Dy N12 O2 -","- C23 H27 B2 Dy N12 O2 -","- C92 H108 B8 Dy4 N48 O8 -","4","1","","Guégan, Frédéric; Riobé, François; Maury, Olivier; Jung, Julie; Le Guennic, Boris; Morell, Christophe; Luneau, Dominique","Teaching an old molecule new tricks: evidence and rationalisation of the slow magnetisation dynamics in [DyTp2Acac]","Inorganic Chemistry Frontiers","2018","5","6","1346","","10.1039/C8QI00174J","","","0.71073","MoKα","","0.073","0.0557","","0.0556","0.0489","0.0473","","","","","","1.1815","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4349837","26.6695","0.0005","26.6695","0.0005","21.9235","0.0005","90","","90","","120","","13504.2","0.5","150","2","150","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C180 H287 Cl3 Co14 N62 O43 S12 -","- C165 H159 Cl3 Co14 N57 O38 S12 -","- C330 H318 Cl6 Co28 N114 O76 S24 -","2","0.166667","","Shi, Cheng; Chen, Mengwei; Han, Xu; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Zheng, Zhiping","Thiacalix[4]arene-supported tetradecanuclear cobalt nanocage cluster as precursor to synthesize CoO/Co9S8@CN composite for supercapacitor application","Inorganic Chemistry Frontiers","2018","5","6","1329","","10.1039/C8QI00178B","","","0.71073","MoKα","","0.0978","0.0745","","","0.2122","0.2467","","","","","","1.069","","","","has coordinates,has disorder","236885","2020-10-21","18:00:00",""
"4349838","10.2821","0.0009","12.1907","0.0015","13.1148","0.0012","82.243","0.009","84.962","0.007","72.071","0.009","1547.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 Fe2 N8 O14 S2 -","- C62 H60 Cl2 Fe2 N8 O14 S2 -","- C62 H60 Cl2 Fe2 N8 O14 S2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.1057","0.0644","","","0.1598","0.1906","","","","","","1.039","","","","has coordinates,has disorder","236887","2020-10-21","18:00:00",""
"4349839","10.2879","0.0006","12.2402","0.0011","13.0862","0.0011","81.993","0.007","84.845","0.006","71.976","0.007","1549.8","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 N8 O14 S2 Zn2 -","- C62 H60 Cl2 N8 O14 S2 Zn2 -","- C62 H60 Cl2 N8 O14 S2 Zn2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0926","0.0605","","","0.1536","0.1769","","","","","","1.021","","","","has coordinates,has disorder","236887","2020-10-21","18:00:00",""
"4349840","10.3328","0.001","12.2165","0.0012","13.0629","0.0012","82.207","0.008","84.709","0.008","71.837","0.009","1550.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H60 Cl2 Co2 N8 O14 S2 -","- C62 H60 Cl2 Co2 N8 O14 S2 -","- C62 H60 Cl2 Co2 N8 O14 S2 -","1","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0818","0.0506","","","0.1205","0.1409","","","","","","1.056","","","","has coordinates,has disorder","236887","2020-10-21","18:00:00",""
"4349841","35.7961","0.0016","33.5952","0.0013","33.0784","0.0018","90","","90","","90","","39779","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C186 H144 N24 Nb2 Ni6 O52.19 -","- C186 H144 N24 Nb2 Ni6 O52.22 -","- C1488 H1152 N192 Nb16 Ni48 O417.76 -","8","0.5","","Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel","Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route","Inorganic Chemistry Frontiers","2018","5","6","1294","","10.1039/C8QI00191J","","","0.71073","MoKα","","0.0785","0.064","","","0.1644","0.1769","","","","","","1.032","","","","has coordinates","236887","2020-10-21","18:00:00",""
"4349842","4.83448","0.00012","14.1398","0.0005","22.1826","0.0008","90","","90","","90","","1516.37","0.09","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8.036 H6 Cu0.5 N2.927 O -","- C8.0365 H6 Cu0.5 N2.927 O -","- C64.292 H48 Cu4 N23.416 O8 -","8","1","","Li, Shixiong; Wei, Chaohai; Hu, Yun; Wu, Haizhen; Li, Fusheng","In situ synthesis and photocatalytic mechanism of a cyano bridged Cu(i) polymer","Inorganic Chemistry Frontiers","2018","5","6","1282","","10.1039/C8QI00205C","","","0.71073","MoKα","","0.0562","0.0418","","","0.108","0.1179","","","","","","1.0183","","","","has coordinates,has disorder","236889","2020-10-21","18:00:00",""
"4349843","12.2174","0.0004","15.9283","0.0006","19.3779","0.0007","77.667","0.001","77.782","0.001","68.551","0.001","3391.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H180 Dy4 N8 O26 -","- C118 H180 Dy4 N8 O26 -","- C118 H180 Dy4 N8 O26 -","1","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0721","0.0527","","","0.1226","0.1393","","","","","","1.08","","","","has coordinates","236891","2020-10-21","18:00:00",""
"4349844","12.668","0.003","14.063","0.003","16.523","0.003","82.26","0.03","69.22","0.03","70.85","0.03","2599.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C119.63 H93.63 Cl0.73 Dy4 N9.63 O20 -","- C119.632 H93.632 Cl0.736 Dy4 N9.632 O20 -","- C119.632 H93.632 Cl0.736 Dy4 N9.632 O20 -","1","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0597","0.0496","","","0.1404","0.1537","","","","","","1.103","","","","has coordinates,has disorder","236891","2020-10-21","18:00:00",""
"4349845","17.792","0.0018","17.7736","0.0016","17.3809","0.0017","90","","103.707","0.003","90","","5339.8","0.9","113","2","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H42 Dy4 F48 N10 O24 -","- C79 H42 Dy4 F48 N10 O24 -","- C158 H84 Dy8 F96 N20 O48 -","2","0.5","","Wang, Wen-Min; Kang, Xiao-Min; Shen, Hai-Yun; Wu, Zhi-Lei; Gao, Hong-Ling; Cui, Jian-Zhong","Modulating single-molecule magnet behavior towards multiple magnetic relaxation processes through structural variation in Dy4 clusters","Inorganic Chemistry Frontiers","2018","5","8","1876","","10.1039/C8QI00214B","","","0.71073","MoKα","","0.0294","0.0248","","","0.0633","0.0655","","","","","","1.024","","","","has coordinates,has disorder","236891","2020-10-21","18:00:00",""
"4349846","4.787","0.003","7.564","0.0003","9.6012","0.0005","90","","90.283","0.013","90","","347.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","datolite","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0333","0.029","","","0.0772","0.0795","","","","","","1.06","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349847","4.526","0.004","7.222","0.0004","9.3443","0.0003","90","","91.08","0.013","90","","305.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0616","0.052","","","0.1225","0.135","","","","","","0.979","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349848","4.4839","0.0018","7.224","0.001","9.3484","0.0006","90","","90.696","0.018","90","","302.79","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0593","0.0547","","","0.1475","0.1594","","","","","","0.895","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349849","4.479","0.007","6.7168","0.0006","9.2421","0.0007","90","","90.63","0.03","90","","278","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0742","0.0594","","","0.1485","0.1693","","","","","","0.834","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349850","4.6378","0.0017","7.4034","0.0004","9.484","0.0006","90","","90.729","0.017","90","","325.61","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0572","0.048","","","0.1709","0.2087","","","","","","1.208","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349851","4.464","0.008","6.6986","0.0009","9.2145","0.0011","90","","90.76","0.03","90","","275.5","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.074","0.0543","","","0.1261","0.1406","","","","","","0.971","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349852","4.538","0.003","6.7951","0.0013","9.2277","0.0009","90","","90.7","0.03","90","","284.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.1283","0.1133","","","0.29","0.3172","","","","","","1.2","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349853","4.4367","0.0019","7.2074","0.0007","9.2808","0.0005","90","","90.9","0.017","90","","296.74","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0979","0.0847","","","0.2347","0.2645","","","","","","1.058","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349854","4.531","0.004","6.687","0.0005","9.252","0.005","90","","90.27","0.08","90","","280.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0529","0.0415","","","0.1372","0.1532","","","","","","0.834","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349855","4.579","0.003","7.2986","0.0012","9.3814","0.0015","90","","91.19","0.03","90","","313.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0542","0.05","","","0.1584","0.1635","","","","","","1.282","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349856","4.8347","0.001","7.6083","0.0017","9.629","0.002","90","","90.23","0.004","90","","354.19","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.71073","MoKα","","0.041","0.0397","","","0.1278","0.1378","","","","","","1.487","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349857","4.773","0.0017","7.5294","0.0006","9.5786","0.0006","90","","90.442","0.014","90","","344.22","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2984","","","0.0471","0.0424","","","0.1204","0.1539","","","","","","1.203","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349858","4.448","0.01","6.6725","0.0007","9.19","0.0011","90","","90.73","0.04","90","","272.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B Ca H O5 Si -","- B Ca H O5 Si -","- B4 Ca4 H4 O20 Si4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Aprilis, Georgios; Dubrovinsky, Leonid S.; Krivovichev, Sergey V.","Pentacoordinated silicon in the high-pressure modification of datolite, CaBSiO4(OH)","Inorganic Chemistry Frontiers","2018","5","7","1653","","10.1039/C8QI00257F","","","0.2896","","","0.0604","0.0495","","","0.1224","0.1341","","","","","","0.917","","","","has coordinates","236893","2020-10-21","18:00:00",""
"4349859","11.033","0.002","12.713","0.003","36.597","0.007","90","","90","","90","","5133.2","1.8","386","2","386.3","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 In N3 O9 -","- C46 H34 In N3 O9 -","- C184 H136 In4 N12 O36 -","4","0.5","","Hou, Sheng-Li; Dong, Jie; Jiao, Zhuo-Hao; Jiang, Xiao-Lei; Yang, Xiu-Pei; Zhao, Bin","Trace water accelerating the CO2 cycloaddition reaction catalyzed by an indium‒organic framework","Inorganic Chemistry Frontiers","2018","5","7","1694","","10.1039/C8QI00260F","","","0.71073","MoKα","","0.1175","0.0895","","","0.2413","0.2604","","","","","","1.182","","","","has coordinates","236895","2020-10-21","18:00:00",""
"4349860","11.7531","0.0009","13.8438","0.001","13.9872","0.0007","102.801","0.006","91.679","0.005","108.946","0.007","2086.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H66 Cl12 Dy2 O14 -","- C80 H66 Cl12 Dy2 O14 -","- C80 H66 Cl12 Dy2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.7107","MoKα","","0.0764","0.0498","","","0.1077","0.1236","","","","","","1.03","","","","has coordinates","236897","2020-10-21","18:00:00",""
"4349861","11.7403","0.0007","13.8267","0.0008","13.9874","0.0009","103.008","0.005","92.037","0.005","108.773","0.005","2080.2","0.2","","","","","","","","","","","","5","P 1","P 1","1","","","","- C80 H66 Cl12 O14 Y2 -","- C40 H33 Cl6 O7 Y -","- C40 H33 Cl6 O7 Y -","1","1","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","","","","0.104","","","","","","","","","","","","","","","has coordinates","236897","2020-10-21","18:00:00",""
"4349862","11.4039","0.0003","13.0199","0.0005","13.9897","0.0005","70.393","0.003","71.631","0.003","75.913","0.003","1834.87","0.12","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C80 H70 Cl4 Dy2 O14 -","- C80 H70 Cl4 Dy2 O14 -","- C80 H70 Cl4 Dy2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.7107","MoKα","","0.0496","0.0348","","","0.0569","0.0649","","","","","","1.092","","","","has coordinates","236897","2020-10-21","18:00:00",""
"4349863","11.765","","13.856","","14.01","","102.86","","91.29","","108.64","","2098.9","","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H66 Cl12 Gd2 O14 -","- C80 H66 Cl12 Gd2 O14 -","- C80 H66 Cl12 Gd2 O14 -","1","0.5","","Zhang, Wan-Ying; Zhang, Yi-Quan; Jiang, Shang-Da; Sun, Wen-Bin; Li, Hong-Feng; Wang, Bing-Wu; Chen, Peng; Yan, Peng-Fei; Gao, Song","Dramatic impact of the lattice solvent on the dynamic magnetic relaxation of dinuclear dysprosium single-molecule magnets","Inorganic Chemistry Frontiers","2018","5","7","1575","","10.1039/C8QI00266E","","","0.71","MoKα","","0.0599","0.0431","","","0.1018","0.1166","","","","","","1.083","","","","has coordinates","236897","2020-10-21","18:00:00",""
"4349864","13.3099","0.0004","10.2168","0.0003","8.0515","0.0003","90","","90","","90","","1094.88","0.06","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H8 Cd N6 S2 -","- C6 H8 Cd N6 S2 -","- C24 H32 Cd4 N24 S8 -","4","0.5","","Wang, Lusha; Xu, Xinxin; Wang, Yun; Wang, Xinjiao; Shi, Fa-nian","Sulfur vacancy-rich CdS loaded on filter paper-derived 3D nitrogen-doped mesoporous carbon carrier for photocatalytic VOC removal","Inorganic Chemistry Frontiers","2018","5","6","1470","","10.1039/C8QI00305J","","","0.71073","MoKα","","0.0352","0.0294","","","0.0685","0.0743","","","","","","1.085","","","","has coordinates","236898","2020-10-21","18:00:00",""
"4349865","27.0729","0.0011","17.4291","0.0007","15.412","0.0007","90","","96.264","0.002","90","","7228.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H25.33 K1.12 N12 Nd2 O17.23 W -","- C21 H8 K1.125 N12 Nd2 O17.225 W -","- C168 H64 K9 N96 Nd16 O137.8 W8 -","8","1","","Gao, Yuan; Viciano-Chumillas, Marta; Toader, Ana Maria; Teat, Simon J.; Ferbinteanu, Marilena; Tanase, Stefania","Cyanide-bridged coordination polymers constructed from lanthanide ions and octacyanometallate building-blocks","Inorganic Chemistry Frontiers","2018","5","8","1967","","10.1039/C8QI00357B","","","0.7749","synchrotron","","0.0249","0.0209","","","0.0562","0.0575","","","","","","1.057","","","","has coordinates,has disorder","236900","2020-10-21","18:00:00",""
"4349866","31.038","0.002","31.038","0.002","20.6449","0.0018","90","","90","","90","","19888","3","162.89","0.1","162.89","0.1","","","","","","","","4","I 4/m","-I 4","87","","","","- C50 H22 Cu3 O15 -","- C50 H22 Cu3 O15 -","- C400 H176 Cu24 O120 -","8","0.5","","Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng","Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation","Inorganic Chemistry Frontiers","2018","5","10","2408","","10.1039/C8QI00469B","","x-ray","1.54184","CuKα","","0.2211","0.1103","","","0.3025","0.3261","","","","","","0.865","","","","has coordinates","236902","2020-10-21","18:00:00",""
"4349867","31.3382","0.0011","31.3382","0.0011","39.0786","0.001","90","","90","","90","","38378","2","273.45","0.1","273.45","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- C50 H26 Cu3 O15 -","- C50 H26 Cu3 O15 -","- C400 H208 Cu24 O120 -","8","0.25","","Wang, Yutong; Fan, Weidong; Wang, Xia; Han, Yinfeng; Zhang, Liangliang; Liu, Di; Dai, Fangna; Sun, Daofeng","Solvent-induced framework-interpenetration isomers of Cu MOFs for efficient light hydrocarbon separation","Inorganic Chemistry Frontiers","2018","5","10","2408","","10.1039/C8QI00469B","","x-ray","1.54184","CuKα","","0.1478","0.064","","","0.1436","0.1698","","","","","","0.731","","","","has coordinates","236902","2020-10-21","18:00:00",""
"4349868","12.0326","0.0005","14.137","0.0006","20.7121","0.0009","70.239","0.002","76.719","0.002","70.278","0.002","3094.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H208 N8 O20 Pd2 -","- C114 H208 N8 O20 Pd2 -","- C114 H208 N8 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.0835","0.0743","","","0.2052","0.2164","","","","","","1.07","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349869","10.4534","0.0007","14.7803","0.001","20.3003","0.0013","102.903","0.002","102.983","0.002","105.397","0.002","2809.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H192 N8 O20 Pd2 -","- C108 H192 N8 O20 Pd2 -","- C108 H192 N8 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.0329","0.0288","","","0.0841","0.0876","","","","","","1.029","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349870","11.9627","0.0013","14.2598","0.0016","20.435","0.002","69.618","0.005","89.594","0.005","69.736","0.005","3039.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H192 N12 O20 Pd2 -","- C104 H192 N12 O20 Pd2 -","- C104 H192 N12 O20 Pd2 -","1","0.5","","Fortea-Pérez, Francisco Ramón; El Idrissi Moubtassim, Mouly Lahcen; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine","Structurally characterized dipalladium(ii)-oxamate metallacyclophanes as efficient catalysts for sustainable Heck and Suzuki reactions in ionic liquids","Inorganic Chemistry Frontiers","2018","5","9","2148","","10.1039/C8QI00498F","","","0.71073","MoKα","","0.1006","0.0934","","","0.2602","0.2659","","","","","","1.022","","","","has coordinates","236904","2020-10-21","18:00:00",""
"4349871","7.7317","0.0003","17.7115","0.0008","23.3846","0.001","90","","99.182","0.002","90","","3161.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cd N2 O6 S2 -","- C34 H30 Cd N2 O6 S2 -","- C136 H120 Cd4 N8 O24 S8 -","4","1","","Dutta, Basudeb; Jana, Rajkumar; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis of a Cd(ii) based 1D coordination polymer by in situ ligand generation and fabrication of a photosensitive electronic device","Inorganic Chemistry Frontiers","2018","5","8","1998","","10.1039/C8QI00530C","","","0.71073","MoKα","","0.0339","0.028","","","0.0639","0.0664","","","","","","1.089","","","","has coordinates","236906","2020-10-21","18:00:00",""
"4349872","30.427","0.006","18.048","0.004","23.107","0.004","90","","90","","90","","12689","4","296","2","296","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C42 H22 Cl6 Ho2 N3 O20 P3 -","- C336 H176 Cl48 Ho16 N24 O160 P24 -","8","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.1004","0.0775","","","0.2602","0.2794","","","","","","1.15","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349873","54.516","0.006","7.8411","0.0008","27.411","0.003","90","","114.783","0.005","90","","10638","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 Ho2 N4 O19 P3 -","- C51 H43 Ho2 N4 O19 P3 -","- C408 H344 Ho16 N32 O152 P24 -","8","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.0297","0.0251","","","0.0842","0.0943","","","","","","1.01","","","","has coordinates,has disorder","236909","2020-10-21","18:00:00",""
"4349874","12.3748","0.0009","17.8829","0.0011","18.332","0.0012","105.84","0.003","106.771","0.003","109.139","0.003","3353","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H36 Br6 Ho2 N5 O22 P3 -","- C48 H32 Br6 Ho2 N5 O22 P3 -","- C96 H64 Br12 Ho4 N10 O44 P6 -","2","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.1002","0.0781","","","0.2618","0.2838","","","","","","1.059","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349875","14.0524","0.0004","24.5135","0.0007","26.5196","0.0008","90","","101.943","0.002","90","","8937.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Ho2 N3 O27 P3 -","- C49 H39 Ho2 N3 O27 P3 -","- C196 H156 Ho8 N12 O108 P12 -","4","1","","Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives","Inorganic Chemistry Frontiers","2018","5","9","2227","","10.1039/C8QI00575C","","","0.71073","MoKα","","0.0407","0.035","","","0.1033","0.1058","","","","","","1.075","","","","has coordinates","236909","2020-10-21","18:00:00",""
"4349876","13.033","0.0019","22.665","0.003","11.9449","0.0016","90","","116.967","0.002","90","","3144.8","0.8","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Ag8 N16 O48 P S4 W12 -","- C8 H12 Ag8 N16 O48 P S4 W12 -","- C16 H24 Ag16 N32 O96 P2 S8 W24 -","2","0.5","","Lin, Xiaoling; Zhang, Mengling; Zhu, Mengmeng; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","Engineering a polyoxometalate-based metal organic framework with more exposed active edge sites of Ag for visible light-driven selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","10","2493","","10.1039/C8QI00648B","","","0.71073","MoKα","","0.0975","0.0778","","","0.2319","0.2391","","","","","","1.63","","","","has coordinates","236911","2020-10-21","18:00:00",""
"4349877","24.88","0.005","10.683","0.002","22.308","0.004","90","","106.567","0.004","90","","5683.2","1.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Ag8 Mo12 N16 O42 P S4 -","- C8 H12 Ag8 Mo12 N16 O42 P S4 -","- C32 H48 Ag32 Mo48 N64 O168 P4 S16 -","4","0.5","","Lin, Xiaoling; Zhang, Mengling; Zhu, Mengmeng; Huang, Hui; Shi, Chunfeng; Liu, Yang; Kang, Zhenhui","Engineering a polyoxometalate-based metal organic framework with more exposed active edge sites of Ag for visible light-driven selective oxidation of cis-cyclooctene","Inorganic Chemistry Frontiers","2018","5","10","2493","","10.1039/C8QI00648B","","","0.71073","MoKα","","0.1035","0.0612","","","0.1653","0.192","","","","","","1.095","","","","has coordinates","236911","2020-10-21","18:00:00",""
"4349878","27.3963","0.0013","27.3963","0.0013","75.861","0.003","90","","90","","120","","49310","4","150.01","0.1","150.01","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20.5 H11.83 F In1.5 O7.67 -","- C20.5 H11.8334 F In1.5 O7.6667 -","- C738 H426.002 F36 In54 O276.001 -","36","1","","Fan, Weidong; Liu, Xiuping; Wang, Xia; Li, Yue; Xing, Chengyong; Wang, Yutong; Guo, Wenyue; Zhang, Liangliang; Sun, Daofeng","A fluorine-functionalized microporous In-MOF with high physicochemical stability for light hydrocarbon storage and separation","Inorganic Chemistry Frontiers","2018","5","10","2445","","10.1039/C8QI00652K","","x-ray","1.54184","CuKα","","0.108","0.0843","","","0.2674","0.2989","","","","","","1.092","","","","has coordinates","236914","2020-10-21","18:00:00",""
"4349879","36.244","0.008","36.244","0.008","36.244","0.008","90","","90","","90","","47611","18","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C35 H17 Cu2 N3 O11 -","- C35 H17 Cu2 N3 O11 -","- C840 H408 Cu48 N72 O264 -","24","0.25","","Zheng, Baishu; Luo, Xin; Wang, Zhaoxu; Zhang, Shaowei; Yun, Ruirui; Huang, Lu; Zeng, Wenjiang; Liu, Wenlong","An unprecedented water stable acylamide-functionalized metal‒organic framework for highly efficient CH4/CO2 gas storage/separation and acid‒base cooperative catalytic activity","Inorganic Chemistry Frontiers","2018","5","9","2355","","10.1039/C8QI00662H","","","0.71073","MoKα","","0.056","0.0466","","","0.1309","0.1375","","","","","","1.106","","","","has coordinates,has disorder","236916","2020-10-21","18:00:00",""
"4349880","11.255","0.003","12.65","0.0015","19.805","0.002","90","","90","","90","","2819.8","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 I N2 O5 Pt -","- C28 H35 I N2 O5 Pt -","- C112 H140 I4 N8 O20 Pt4 -","4","1","","Cucciolito, Maria Elena; De Luca Bossa, Ferdinando; Esposito, Roberto; Ferraro, Giarita; Iadonisi, Alfonso; Petruk, Ganna; D'Elia, Luigi; Romanetti, Claudia; Traboni, Serena; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","C-Glycosylation in platinum-based agents: a viable strategy to improve cytotoxicity and selectivity","Inorganic Chemistry Frontiers","2018","5","11","2921","","10.1039/C8QI00664D","","","0.71073","MoKα","","0.0315","0.0254","","","0.051","0.053","","","","","","1.077","","","","has coordinates","236918","2020-10-21","18:00:00",""
"4349881","43.0872","0.0019","21.8624","0.0009","26.6715","0.001","90","","114.837","0.001","90","","22800.4","1.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H204 Ce2 N12 Na2 O181 Te2 W37 -","- C10 H40 Ce2 N5 O147 Te2 W37 -","- C40 H160 Ce8 N20 O588 Te8 W148 -","4","0.5","","Yang, Guo-Ping; Shang, Shu-Xia; Yu, Bing; Hu, Chang-Wen","Ce(iii)-Containing tungstotellurate(vi) with a sandwich structure: an efficient Lewis acid‒base catalyst for the condensation cyclization of 1,3-diketones with hydrazines/hydrazides or diamines","Inorganic Chemistry Frontiers","2018","5","10","2472","","10.1039/C8QI00678D","","","0.71073","MoKα","","0.0715","0.0432","","","0.1094","0.1274","","","","","","1.077","","","","has coordinates,has disorder","236919","2020-10-21","18:00:00",""
"4349882","17.2385","0.0011","22.536","0.0014","23.4694","0.0015","90","","90","","90","","9117.6","1","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C48 H44 N6 O6 Zn2 -","- C48 H44 N6 O6 Zn2 -","- C384 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0765","0.057","","","0.1411","0.1539","","","","","","1.059","","","","has coordinates","236921","2020-10-21","18:00:00",""
"4349883","28.9","0.02","16.978","0.014","22.451","0.018","90","","127.455","0.01","90","","8745","12","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N6 O6 Zn2 -","- C48 H38 N6 O6 Zn2 -","- C384 H304 N48 O48 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.1285","0.0911","","","0.2521","0.2899","","","","","","1.032","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349884","29.427","0.0019","16.46","0.001","22.586","0.0014","90","","128.488","0.001","90","","8563.1","0.9","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N6 O6 Zn2 -","- C36 H32 N6 O6 Zn2 -","- C288 H256 N48 O48 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0848","0.056","","","0.1193","0.1341","","","","","","1.055","","","","has coordinates","236921","2020-10-21","18:00:00",""
"4349885","16.688","0.0017","22.617","0.002","23.535","0.002","90","","90","","90","","8882.9","1.4","153","2","153.15","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46.5 H44 N6 O6 Zn2 -","- C46.5 H44 N6 O6 Zn2 -","- C372 H352 N48 O48 Zn16 -","8","0.5","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0903","0.0687","","","0.1719","0.1828","","","","","","1.139","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349886","28.3668","0.0017","16.5004","0.001","22.5401","0.0013","90","","126.749","0.001","90","","8453.5","0.9","153","2","153.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 N6 O10 Zn2 -","- C40 H40 N6 O10 Zn2 -","- C320 H320 N48 O80 Zn16 -","8","1","","He, Chun-Ting; Ye, Zi-Ming; Xu, Yan-Tong; Xie, Yi; Lian, Xin-Lu; Zhang, Jie-Peng; Chen, Xiao-Ming","A flexible metal‒organic framework with adaptive pores for high column-capacity gas chromatographic separation","Inorganic Chemistry Frontiers","2018","5","11","2777","","10.1039/C8QI00684A","","","0.71073","MoKα","","0.0624","0.0506","","","0.1323","0.1397","","","","","","1.07","","","","has coordinates,has disorder","236921","2020-10-21","18:00:00",""
"4349887","13.5057","0.0013","14.3267","0.0014","15.4396","0.0015","114.74","0.001","99.624","0.001","103.165","0.002","2522.9","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H78 Au2 F12 P4 Pd6 S10 -","- C108 H78 Au2 F12 P4 Pd6 S10 -","- C108 H78 Au2 F12 P4 Pd6 S10 -","1","0.5","","Du, Yuanxin; Xiang, Ji; Ni, Kun; Yun, Yapei; Sun, Guodong; Yuan, Xiaoyou; Sheng, Hongting; Zhu, Yanwu; Zhu, Manzhou","Design of atomically precise Au2Pd6 nanoclusters for boosting electrocatalytic hydrogen evolution on MoS2","Inorganic Chemistry Frontiers","2018","5","11","2948","","10.1039/C8QI00697K","","","0.71073","MoKα","","0.0646","0.0399","","","0.0828","0.0863","","","","","","1.071","","","","has coordinates","236923","2020-10-21","18:00:00",""
"4349888","14.8835","0.0003","18.8542","0.0004","15.3188","0.0003","90","","94.9294","0.0017","90","","4282.81","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 S3 Sm -","- C38 H22 F9 N4 O6 S3 Sm -","- C152 H88 F36 N16 O24 S12 Sm4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0509","0.0356","","","0.0716","0.0788","","","","","","1.024","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349889","14.7615","0.0006","18.7778","0.0009","15.287","0.002","90","","94.459","0.008","90","","4224.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 Lu N4 O6 S3 -","- C38 H22 F9 Lu N4 O6 S3 -","- C152 H88 F36 Lu4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.7107","MoKα","","0.0591","0.047","","","0.1133","0.1201","","","","","","1.058","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349890","24.2809","0.0013","10.2995","0.0007","16.5074","0.0008","90","","94.05","0.006","90","","4117.9","0.4","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C38 H22 F9 Gd N4 O6 S3 -","- C37.977 H22 F9 Gd N4 O6 S3 -","- C151.908 H88 F36 Gd4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.7107","MoKα","","0.0767","0.0565","","","0.118","0.1287","","","","","","1.063","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349891","14.787","0.0004","18.7993","0.0005","15.3065","0.0003","90","","95.358","0.002","90","","4236.39","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 S3 Tm -","- C38 H22 F9 N4 O6 S3 Tm -","- C152 H88 F36 N16 O24 S12 Tm4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.0622","0.0522","","","0.1373","0.1439","","","","","","1.048","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349892","10.2761","0.0003","21.4121","0.0009","18.9121","0.0007","90","","104.036","0.004","90","","4037","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 N4 O6 S3 Tb -","- C38 H22 F9 N4 O6 S3 Tb -","- C152 H88 F36 N16 O24 S12 Tb4 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1047","0.092","","","0.1996","0.2061","","","","","","1.151","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349893","24.2613","0.0011","10.2407","0.0005","16.5383","0.0006","90","","93.893","0.004","90","","4099.5","0.3","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C38 H23 Eu F9 N4 O6 S3 -","- C38 H23 Eu F9 N4 O6 S3 -","- C152 H92 Eu4 F36 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","0.71073","MoKα","","0.1165","0.0988","","","0.2146","0.2257","","","","","","1.166","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349894","10.2806","0.0008","21.385","0.003","18.8697","0.0016","90","","103.894","0.01","90","","4027.1","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Dy F9 N4 O6 S3 -","- C38 H22 Dy F9 N4 O6 S3 -","- C152 H88 Dy4 F36 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1922","0.0976","","","0.2099","0.2691","","","","","","1.026","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349895","17.4079","0.0007","12.7965","0.0005","19.1081","0.0007","90","","92.492","0.004","90","","4252.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 N4 Nd O6 S3 -","- C38 H22 F9 N4 Nd O6 S3 -","- C152 H88 F36 N16 Nd4 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0422","0.0334","","","0.0702","0.0755","","","","","","1.048","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349896","10.3064","0.0004","21.3468","0.0007","18.8868","0.0007","90","","104.004","0.004","90","","4031.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 F9 Ho N4 O6 S3 -","- C38 H22 F9 Ho N4 O6 S3 -","- C152 H88 F36 Ho4 N16 O24 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","x-ray","1.54184","CuKα","","0.1849","0.1593","","","0.4291","0.4484","","","","","","1.832","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349897","15.0472","0.0007","18.923","0.001","15.2845","0.0008","90","","95.551","0.004","90","","4331.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H22 F9 N4 O6 Pr S3 -","- C38 H22 F9 N4 O6 Pr S3 -","- C152 H88 F36 N16 O24 Pr4 S12 -","4","1","","Khistiaeva, Viktoria V.; Melnikov, Alexey S.; Slavova, Sofia O.; Sizov, Vladimir V.; Starova, Galina L.; Koshevoy, Igor O.; Grachova, Elena V.","Heteroleptic β-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties","Inorganic Chemistry Frontiers","2018","5","12","3015","","10.1039/C8QI00712H","","","0.71073","MoKα","","0.0615","0.0429","","","0.0951","0.1125","","","","","","1.074","","","","has coordinates,has disorder","236925","2020-10-21","18:00:00",""
"4349898","9.4511","0.0009","12.3922","0.0012","12.6894","0.0012","64.829","0.001","72.113","0.001","77.227","0.002","1273","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N4 O7 Zn -","- C26 H32 N4 O7 Zn -","- C52 H64 N8 O14 Zn2 -","2","1","","Parmar, Bhavesh; Patel, Parth; Murali, Vishnu; Rachuri, Yadagiri; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient heterogeneous catalysis by dual ligand Zn(ii)/Cd(ii) MOFs for the Knoevenagel condensation reaction: adaptable synthetic routes, characterization, crystal structures and luminescence studies","Inorganic Chemistry Frontiers","2018","5","10","2630","","10.1039/C8QI00744F","","","0.71073","MoKα","","0.0662","0.0623","","","0.1797","0.1841","","","","","","1.059","","","","has coordinates","236928","2020-10-21","18:00:00",""
"4349899","9.851","0.003","12.171","0.004","13.126","0.004","64.387","0.006","68.719","0.006","73.025","0.006","1305.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cd N4 O7 -","- C26 H32 Cd N4 O7 -","- C52 H64 Cd2 N8 O14 -","2","1","","Parmar, Bhavesh; Patel, Parth; Murali, Vishnu; Rachuri, Yadagiri; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient heterogeneous catalysis by dual ligand Zn(ii)/Cd(ii) MOFs for the Knoevenagel condensation reaction: adaptable synthetic routes, characterization, crystal structures and luminescence studies","Inorganic Chemistry Frontiers","2018","5","10","2630","","10.1039/C8QI00744F","","","0.71073","MoKα","","0.1173","0.0786","","","0.1366","0.1509","","","","","","1.07","","","","has coordinates","236928","2020-10-21","18:00:00",""
"4349900","26.3989","0.0003","26.3989","0.0003","19.2174","0.0003","90","","90","","90","","13392.6","0.3","301.7","0.5","301.7","0.5","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C66 H36 N2 O13 Zn4 -","- C66 H36 N2 O13 Zn4 -","- C132 H72 N4 O26 Zn8 -","2","0.125","","Xia, Yu-Pei; Wang, Chen-Xue; An, Lian-Cai; Zhang, Da-Shuai; Hu, Tong-Liang; Xu, Jialiang; Chang, Ze; Bu, Xian-He","Utilizing an effective framework to dye energy transfer in a carbazole-based metal‒organic framework for high performance white light emission tuning","Inorganic Chemistry Frontiers","2018","5","11","2868","","10.1039/C8QI00747K","","x-ray","1.54184","CuKα","","0.0544","0.0486","","","0.1503","0.1562","","","","","","1.021","","","","has coordinates","236931","2020-10-21","18:00:00",""
"4349907","13.495","0.0006","13.7761","0.0005","26.8721","0.0008","90","","90","","90","","4995.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C31 H30 N4 O13 Zn2 -","- C31 H30 N4 O13 Zn2 -","- C124 H120 N16 O52 Zn8 -","4","1","","Liu, Xiuping; Hao, Chunlian; Li, Jing; Wang, Yutong; Hou, Yongchun; Li, Xue; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue","An anionic metal‒organic framework: metathesis of zinc(ii) with copper(ii) for efficient C3/C2 hydrocarbon and organic dye separation","Inorganic Chemistry Frontiers","2018","5","11","2898","","10.1039/C8QI00773J","","x-ray","1.54184","CuKα","","0.1113","0.1064","","","0.2928","0.3008","","","","","","1.289","","","","has coordinates,has disorder","236935","2020-10-21","18:00:00",""
"4349908","12.526","0.003","12.021","0.002","13.124","0.003","90","","96.99","0.03","90","","1961.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl4 Mn N2 -","- C12 H28 Cl4 Mn N2 -","- C48 H112 Cl16 Mn4 N8 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds","Inorganic Chemistry Frontiers","2018","5","10","2615","","10.1039/C8QI00793D","","","0.71073","MoKα","","0.1157","0.0645","","","0.0981","0.1121","","","","","","1.12","","","","has coordinates","236936","2020-10-21","18:00:00",""
"4349909","12.0944","0.0006","12.6583","0.0006","23.3484","0.0011","90","","90","","90","","3574.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C80 H192 Cl32 Mn8 N16 -","8","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","High quantum yield and unusual photoluminescence behaviour in tetrahedral manganese(ii) based on hybrid compounds","Inorganic Chemistry Frontiers","2018","5","10","2615","","10.1039/C8QI00793D","","","0.71073","MoKα","","0.0772","0.0654","","","0.177","0.1853","","","","","","1.004","","","","has coordinates","236936","2020-10-21","18:00:00",""
"4349910","8.5612","0.0003","15.4837","0.0005","17.4652","0.0006","90","","94.758","0.003","90","","2307.19","0.14","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl2 Dy N3 O8 -","- C16 H26 Cl2 Dy N3 O8 -","- C64 H104 Cl8 Dy4 N12 O32 -","4","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","0.71073","MoKα","","0.0555","0.0379","","","0.0675","0.0762","","","","","","1.051","","","","has coordinates","236938","2020-10-21","18:00:00",""
"4349911","11.0697","0.0015","11.7807","0.0016","12.2202","0.0017","62.152","0.014","71.245","0.012","81.049","0.011","1334.2","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl Dy N5 O10 -","- C24 H22 Cl Dy N5 O10 -","- C48 H44 Cl2 Dy2 N10 O20 -","2","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","1.54184","CuKα","","0.1141","0.1014","","","0.2851","0.3087","","","","","","1.089","","","","has coordinates,has disorder","236938","2020-10-21","18:00:00",""
"4349912","11.8598","0.0006","12.0997","0.0007","13.4297","0.0007","102.794","0.005","98.239","0.004","117.449","0.005","1599.3","0.19","100.03","0.11","100.03","0.11","","","","","","","","6","P -1","-P 1","2","","dpbo","","- C27 H34 Cl Dy N5 O13 -","- C27 H34 Cl Dy N5 O13 -","- C54 H68 Cl2 Dy2 N10 O26 -","2","1","","Ma, Fang; Xiong, Jin; Meng, Yin-Shan; Yang, Jing; Sun, Hao-Ling; Gao, Song","Rational construction of a porous lanthanide coordination polymer featuring reversible guest-dependent magnetic relaxation behavior","Inorganic Chemistry Frontiers","2018","5","11","2875","","10.1039/C8QI00814K","","x-ray","0.71073","MoKα","","0.0703","0.0543","","","0.0986","0.1089","","","","","","1.03","","","","has coordinates","236938","2020-10-21","18:00:00",""
"4349913","11.142","0.005","11.794","0.004","13.105","0.004","65.193","0.013","77.627","0.017","89.043","0.016","1521.7","1","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H52 I16 N4 O2 Sb4 -","- C16 H52 I16 N4 O2 Sb4 -","- C16 H52 I16 N4 O2 Sb4 -","1","0.5","","Khan, Asma; Han, Shiguo; Liu, Xitao; Tao, Kewen; Dey, Dhananjay; Luo, Junhua; Sun, Zhihua","A new antimony-based organic‒inorganic hybrid absorber with photoconductive response","Inorganic Chemistry Frontiers","2018","5","12","3028","","10.1039/C8QI00902C","","x-ray","0.71073","MoKα","","0.035","0.027","","","0.0584","0.0646","","","","","","1.14","","","","has coordinates","236939","2020-10-21","18:00:00",""
"4349914","15.6458","0.0013","19.5934","0.0017","23.431","0.002","90","","90","","90","","7182.9","1.1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H39 F6 Ir N7 P -","- C36 H39 F6 Ir N7 P -","- C288 H312 F48 Ir8 N56 P8 -","8","1","","Tian, Zhenzhen; Yang, Yuliang; Guo, Lihua; Zhong, Genshen; Li, Juanjuan; Liu, Zhe","Dual-functional cyclometalated iridium imine NHC complexes: highly potent anticancer and antimetastatic agents","Inorganic Chemistry Frontiers","2018","5","12","3106","","10.1039/C8QI00920A","","","0.71073","MoKα","","0.0739","0.0329","","","0.0628","0.0726","","","","","","1.098","","","","has coordinates,has disorder","236941","2020-10-21","18:00:00",""
"4349917","32.1419","0.0009","18.5746","0.0002","28.3151","0.0006","90","","112.511","0.003","90","","15616.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cu6 O30 S6 -","- C66 H36 Cu6 O30 S6 -","- C264 H144 Cu24 O120 S24 -","4","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Zhang, Yingying; Zhong, Haoyan; Long, Piao; Wang, Xia; He, Yabing","Two NbO-type MOFs based on linear and zigzag diisophthalate ligands: exploring the effect of ligand-originated MOF isomerization on gas adsorption properties","Inorganic Chemistry Frontiers","2018","5","11","2811","","10.1039/C8QI00946E","","","0.71073","MoKα","","0.1113","0.1017","","","0.2934","0.3042","","","","","","1.06","","","","has coordinates","236945","2020-10-21","18:00:00",""
"4349918","18.4854","0.0003","18.4854","0.0003","44.3369","0.001","90","","90","","120","","13120.6","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C22 H12 Cu2 O10 S2 -","- C22 H12 Cu2 O10 S2 -","- C198 H108 Cu18 O90 S18 -","9","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Zhang, Yingying; Zhong, Haoyan; Long, Piao; Wang, Xia; He, Yabing","Two NbO-type MOFs based on linear and zigzag diisophthalate ligands: exploring the effect of ligand-originated MOF isomerization on gas adsorption properties","Inorganic Chemistry Frontiers","2018","5","11","2811","","10.1039/C8QI00946E","","","1.54184","CuKα","","0.0737","0.0698","","","0.2844","0.2959","","","","","","1.393","","","","has coordinates","236945","2020-10-21","18:00:00",""
"4349943","12.6762","0.0009","13.0303","0.0004","19.2205","0.001","101.791","0.004","101.667","0.005","111.029","0.005","2765.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Dy3 N14 O18 -","- C46 H45 Dy3 N14 O18 -","- C92 H90 Dy6 N28 O36 -","2","1","","Zhu, Zhong-Hong; Ma, Xiong-Feng; Wang, Hai-Ling; Zou, Hua-Hong; Mo, Kai-Qiang; Zhang, Yi-Quan; Yang, Qi-Zhen; Li, Bo; Liang, Fu-Pei","A triangular Dy3 single-molecule toroic with high inversion energy barrier: magnetic properties and multiple-step assembly mechanism","Inorganic Chemistry Frontiers","2018","5","12","3155","","10.1039/C8QI01069B","","x-ray","0.71073","MoKα","","0.0784","0.0504","","","0.1274","0.1426","","","","","","1.05","","","","has coordinates","236966","2020-10-21","18:00:00",""
"4514332","3.9742","0.0002","19.4868","0.0011","14.9127","0.0007","90","","92.426","0.003","90","","1153.87","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 N -","- C14 H6 Br2 N -","- C56 H24 Br8 N4 -","4","1","","Liu, Wei; Ulaganathan, Mani; Abdelwahab, Ibrahim; Luo, Xin; Chen, Zhongxin; Rong Tan, Sherman Jun; Wang, Xiaowei; Liu, Yanpeng; Geng, Dechao; Bao, Yang; Chen, Jianyi; Loh, Kian Ping","Two-Dimensional Polymer Synthesized via Solid-State Polymerization for High-Performance Supercapacitors.","ACS nano","2018","12","1","852","860","10.1021/acsnano.7b08354","","","0.71073","MoKα","","0.0632","0.0478","","","0.1011","0.1075","","","","","","1.124","","","","has coordinates","206135","2020-10-21","18:00:00",""
"4514333","3.8581","0.0002","10.5438","0.0006","16.1258","0.0009","96.687","0.003","96.766","0.002","95.701","0.002","642.72","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H7 Br2 N2 -","- C17 H7 Br2 N2 -","- C34 H14 Br4 N4 -","2","1","","Liu, Wei; Ulaganathan, Mani; Abdelwahab, Ibrahim; Luo, Xin; Chen, Zhongxin; Rong Tan, Sherman Jun; Wang, Xiaowei; Liu, Yanpeng; Geng, Dechao; Bao, Yang; Chen, Jianyi; Loh, Kian Ping","Two-Dimensional Polymer Synthesized via Solid-State Polymerization for High-Performance Supercapacitors.","ACS nano","2018","12","1","852","860","10.1021/acsnano.7b08354","","","0.71073","MoKα","","0.0643","0.0352","","","0.06","0.0663","","","","","","1.038","","","","has coordinates","206135","2020-10-21","18:00:00",""
"4514334","19.9","","3.34","","15.2","","90","","112.4","","90","","934.053","","293","","293","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Tantalum trisufide","","- S3 Ta -","- S4.5 Ta1.5 -","- S36 Ta12 -","8","1","","Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin","TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.","ACS nano","2018","12","1","464","473","10.1021/acsnano.7b06853","","electron","0.0335","electron","","0.1434","0.0853","","","0.0901","0.0931","","","","2.87","2.87","2.08","","","","has coordinates","206136","2020-10-21","18:00:00",""
"4514335","9.52","","3.34","","14.9","","90","","110","","90","","445.2","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Tantalum trisufide","","- S3 Ta -","- S4.5 Ta1.5 -","- S18 Ta6 -","4","1","","Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin","TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.","ACS nano","2018","12","1","464","473","10.1021/acsnano.7b06853","","electron","0.0335","electron","","0.1358","0.0705","","","0.0766","0.0785","","","","2.76","2.76","2.1","","","","has coordinates","206136","2020-10-21","18:00:00",""
"4514336","8.4938","0.001","10.8107","0.001","16.6719","0.0019","104.927","0.003","95.326","0.004","99.344","0.004","1445","0.3","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Br N4 O2 -","- C34 H33 Br N4 O2 -","- C68 H66 Br2 N8 O4 -","2","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0417","0.038","","","0.0968","0.0989","","","","","","1.028","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514337","10.1934","0.0006","10.7135","0.0006","17.2661","0.0011","89.316","0.002","85.141","0.002","82.592","0.002","1863.12","0.19","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N3 O -","- C21 H27 N3 O -","- C84 H108 N12 O4 -","4","2","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0394","","","0.1086","0.1119","","","","","","1.043","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514338","6.2748","0.0005","13.137","0.0011","24.081","0.002","90","","90","","90","","1985","0.3","101","","101.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","1.54178","CuKα","","0.026","0.0259","","","0.0658","0.0659","","","","","","1.077","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514339","10.0808","0.0007","9.7488","0.0006","15.9224","0.0012","90","","108.079","0.003","90","","1487.53","0.18","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0432","0.0395","","","0.1026","0.1064","","","","","","1.053","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514340","10.0431","0.001","9.7828","0.0011","15.4733","0.0011","90","","99.887","0.004","90","","1497.7","0.2","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","0.71073","MoKα","","0.0452","0.0406","","","0.1135","0.1176","","","","","","1.038","","","","has coordinates,has disorder","206122","2020-10-21","18:00:00",""
"4514341","9.722","0.002","6.1683","0.0014","19.747","0.004","90","","102.561","0.004","90","","1155.8","0.4","446","2","446","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H21 F N2 O7 Se -","- C25 H21 F N2 O7 Se -","- C50 H42 F2 N4 O14 Se2 -","2","1","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.0347","0.0319","","","0.0691","0.0702","","","","","","1","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514342","12.1582","0.0004","19.1469","0.0006","23.6521","0.0008","80.268","0.001","80.837","0.002","84.148","0.002","5341.6","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H39 O4.5 S0.5 Se -","- C27 H39 O4.5 S0.5 Se -","- C216 H312 O36 S4 Se8 -","8","8","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","1.54178","CuKα","","0.0438","0.039","","","0.0944","0.0974","","","","","","1.03","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514343","6.7417","0.0005","22.7327","0.0016","16.9277","0.0011","90","","101.477","0.002","90","","2542.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F2 O4 Se -","- C18 H18 F2 O4 Se -","- C108 H108 F12 O24 Se6 -","6","3","","See, Jie Yang; Yang, Hui; Zhao, Yu; Wong, Ming Wah; Ke, Zhihai; Yeung, Ying-Yeung","Desymmetrizing Enantio- and Diastereoselective Selenoetherification through Supramolecular Catalysis","ACS Catalysis","2018","8","2","850","","10.1021/acscatal.7b03510","","","0.71073","MoKα","","0.026","0.0228","","","0.0457","0.0478","","","","","","1.055","","","","has coordinates","206127","2020-10-21","18:00:00",""
"4514344","9.9745","0.0006","14.6282","0.0009","21.2096","0.0013","103.406","0.002","99.818","0.002","90.008","0.002","2963.7","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H50 B N2 P Ru -","- C31 H50 B N2 P Ru -","- C124 H200 B4 N8 P4 Ru4 -","4","2","","Beguerie, Marion; Dinoi, Chiara; del Rosal, Iker; Faradji, Charly; Alcaraz, Gilles; Vendier, Laure; Sabo-Etienne, Sylviane","Mechanistic Studies on the Catalytic Synthesis of BN Heterocycles (1H-2,1-Benzazaboroles) at Ruthenium","ACS Catalysis","2018","8","2","939","","10.1021/acscatal.7b03461","","","0.71073","MoKα","","0.0579","0.0362","","","0.0749","0.0855","","","","","","1.083","","","","has coordinates","206126","2020-10-21","18:00:00",""
"4514345","12.513","0.002","17.266","0.003","12.709","0.002","90","","107.182","0.003","90","","2623.2","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/m 1","-P 2yb","11","jonnk09","","","- C59 H96 Mn N O4 P2 -","- C59 H96 Mn N O4 P2 -","- C118 H192 Mn2 N2 O8 P4 -","2","0.5","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0878","0.0526","","","0.1155","0.131","","","","","","1.037","","","","has coordinates,has disorder","206120","2020-10-21","18:00:00",""
"4514346","16.074","0.003","19.166","0.004","16.17","0.003","90","","113.805","0.004","90","","4557.8","1.5","100","0.5","100","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","jonnk11","","","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C47.5 H72 Br Cl3 Mn N O2 P2 -","- C190 H288 Br4 Cl12 Mn4 N4 O8 P8 -","4","2","","Kulkarni, Naveen V.; Brennessel, William W.; Jones, William D.","Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction","ACS Catalysis","2018","8","2","997","","10.1021/acscatal.7b03653","","","0.71073","MoKα","","0.0735","0.0465","","","0.0832","0.0931","","","","","","1.014","","","","has coordinates","206120","2020-10-21","18:00:00",""
"4514347","12.666","0.003","29.888","0.006","15.424","0.003","90","","112.43","0.03","90","","5397","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 In2 N3 O17 -","- C58 H44 In2 N3 O17 -","- C232 H176 In8 N12 O68 -","4","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","1.54178","CuKα","","0.1042","0.0675","","","0.1951","0.2399","","","","","","1.046","","","","has coordinates","206108","2020-10-21","18:00:00",""
"4514348","32.2282","0.0014","32.2282","0.0014","26.548","0.0012","90","","90","","120","","23880","1.8","100","","100","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C56.67 H24 N O28.67 Zr4 -","- C56.6666 H24 N O28.6665 Zr4 -","- C340 H144 N6 O171.999 Zr24 -","6","0.5","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","0.71073","MoKα","","0.1775","0.1554","","","0.4612","0.4922","","","","","","2.247","","","","has coordinates,has disorder","206108","2020-10-21","18:00:00",""
"4514349","24.6147","0.0009","69.169","0.002","19.5485","0.0007","90","","92.081","0.002","90","","33261","2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H48 O44 Zr6 -","- C102 H48 O44 Zr6 -","- C816 H384 O352 Zr48 -","8","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe","New Metal-Organic Frameworks for Chemical Fixation of CO2.","ACS applied materials & interfaces","2018","10","1","733","744","10.1021/acsami.7b16163","","","0.71073","MoKα","","0.0976","0.0725","","","0.1943","0.2158","","","","","","1.038","","","","has coordinates","206108","2020-10-21","18:00:00",""
"4514350","11.9405","0.0005","12.2853","0.0004","20.3054","0.0006","103.183","0.003","102.56","0.003","98.477","0.003","2769.26","0.18","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 F12 Fe2 N10 O15 S4 -","- C46 H38 F12 Fe2 N10 O15 S4 -","- C92 H76 F24 Fe4 N20 O30 S8 -","2","1","","Kottrup, Konstantin G.; D'Agostini, Silvia; van Langevelde, Phebe H.; Siegler, Maxime A.; Hetterscheid, Dennis G. H.","Catalytic Activity of an Iron-Based Water Oxidation Catalyst: Substrate Effects of Graphitic Electrodes.","ACS catalysis","2018","8","2","1052","1061","10.1021/acscatal.7b03284","","","1.54178","CuKα","","0.0709","0.0541","","","0.1342","0.1404","","","","","","0.921","","","","has coordinates,has disorder","227501","2020-10-21","18:00:00",""
"4514351","20.0688","0.0003","9.57471","0.00012","21.8114","0.0003","90","","113.315","0.0018","90","","3848.9","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","4","","Verrier, Charlie; Alandini, Nurtalya; Pezzetta, Cristofer; Moliterno, Mauro; Buzzetti, Luca; Hepburn, Hamish B.; Vega-Peñaloza, Alberto; Silvi, Mattia; Melchiorre, Paolo","Direct Stereoselective Installation of Alkyl Fragments at the β-Carbon of Enals via Excited Iminium Ion Catalysis","ACS Catalysis","2018","8","2","1062","","10.1021/acscatal.7b03788","","","0.7107","MoKα","","0.0722","0.0503","","","0.1298","0.1462","","","","","","0.99","","","","has coordinates,has disorder","206124","2020-10-21","18:00:00",""
"4514352","11.0218","0.0004","16.5594","0.0006","17.2264","0.0007","76.1184","0.0015","89.3326","0.0015","82.0211","0.0015","3021.9","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Fe N3 O S4 -","- C31 H27 Fe N3 O S4 -","- C124 H108 Fe4 N12 O4 S16 -","4","2","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0605","0.0414","","","0.1083","0.1215","","","","","","1.016","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4514353","10.4477","0.0004","12.8949","0.0005","13.2739","0.0006","64.316","0.001","67.177","0.001","79.099","0.002","1484.95","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Fe N2 O S4 -","- C32 H32 Fe N2 O S4 -","- C64 H64 Fe2 N4 O2 S8 -","2","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.067","0.0442","","","0.1076","0.1191","","","","","","1.05","","","","has coordinates,has disorder","206133","2020-10-21","18:00:00",""
"4514354","28.2857","0.0008","7.9962","0.0002","15.1492","0.0004","90","","90","","90","","3426.42","0.16","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H36 Fe N3 O3 P S4 -","- C33 H36 Fe N3 O3 P S4 -","- C132 H144 Fe4 N12 O12 P4 S16 -","4","1","","Das, Uttam K.; Higman, Carolyn S.; Gabidullin, Bulat; Hein, Jason E.; Baker, R. Tom","Efficient and Selective Iron-Complex-Catalyzed Hydroboration of Aldehydes","ACS Catalysis","2018","8","2","1076","","10.1021/acscatal.7b03785","","","0.71073","MoKα","","0.0545","0.0484","","","0.0842","0.0857","","","","","","1.288","","","","has coordinates","206133","2020-10-21","18:00:00",""
"4514355","18.658","0.003","6.9085","0.0011","28.256","0.004","90","","97.233","0.011","90","","3613.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90.5 H69 F10 N4 O4.5 Zn -","- C90.5 H69 F10 N4 O4.5 Zn -","- C181 H138 F20 N8 O9 Zn2 -","2","0.5","","Nowakowska, Sylwia; Mazzola, Federico; Alberti, Mariza N.; Song, Fei; Voigt, Tobias; Nowakowski, Jan; Wäckerlin, Aneliia; Wäckerlin, Christian; Wiss, Jérôme; Schweizer, W. Bernd; Broszio, Max; Polley, Craig; Leandersson, Mats; Fatayer, Shadi; Ivas, Toni; Baljozovic, Milos; Mousavi, S. Fatemeh; Ahsan, Aisha; Nijs, Thomas; Popova, Olha; Zhang, Jun; Muntwiler, Matthias; Thilgen, Carlo; Stöhr, Meike; Pasti, Igor A.; Skorodumova, Natalia V.; Diederich, François; Wells, Justin; Jung, Thomas A.","Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array.","ACS nano","2018","12","1","768","778","10.1021/acsnano.7b07989","","","1.54178","CuKα","","0.1949","0.116","","","0.2708","0.306","","","","","","1.554","","","","has coordinates,has disorder","206134","2020-10-21","18:00:00",""
"4514356","10.0101","0.0004","19.2905","0.001","14.2617","0.0007","90","","110.537","0.003","90","","2578.9","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H37 Cl4 Cr Li N2 O2 P -","- C18 H37 Cl4 Cr Li N2 O2 P -","- C72 H148 Cl16 Cr4 Li4 N8 O8 P4 -","4","1","","Kwon, Doo-Hyun; Fuller, Jack T.; Kilgore, Uriah J.; Sydora, Orson L.; Bischof, Steven M.; Ess, Daniel H.","Computational Transition-State Design Provides Experimentally Verified Cr(P,N) Catalysts for Control of Ethylene Trimerization and Tetramerization","ACS Catalysis","2018","8","2","1138","","10.1021/acscatal.7b04026","","x-ray","1.54178","CuKα","K-L~3~","0.0941","0.059","","","0.1433","0.1604","","","","","","1.024","","","","has coordinates","206123","2020-10-21","18:00:00",""
"4514357","9.92477","0.00006","18.1707","0.00013","27.0531","0.00016","90","","90","","90","","4878.76","0.05","125","","125","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H27 Br N2 O -","- C30 H27 Br N2 O -","- C240 H216 Br8 N16 O8 -","8","1","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","1.54187","CuKα","","0.0281","0.0272","","","0.0785","0.0793","","","","","","1.054","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514358","14.476","0.003","17.657","0.004","18.147","0.004","81.051","0.014","77.873","0.012","82.012","0.013","4452.5","1.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27.67 Br N2 O1.33 -","- C30 H27 Br N2 O1.33333 -","- C180 H162 Br6 N12 O8 -","6","3","","Arokianathar, Jude N.; Frost, Aileen B.; Slawin, Alexandra M. Z.; Stead, Darren; Smith, Andrew D.","Isothiourea-Catalyzed Enantioselective Addition of 4-Nitrophenyl Esters to Iminium Ions","ACS Catalysis","2018","8","2","1153","","10.1021/acscatal.7b02697","","","0.71075","MoKα","","0.2852","0.1239","","","0.2958","0.4058","","","","","","0.974","","","","has coordinates","206125","2020-10-21","18:00:00",""
"4514359","11.4354","0.0014","18.923","0.002","18.566","0.002","90","","97.981","0.002","90","","3978.6","0.8","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H68 Br4 Cl4 N4 Ni2 -","- C94 H68 Br4 Cl4 N4 Ni2 -","- C188 H136 Br8 Cl8 N8 Ni4 -","2","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0946","0.0473","","","0.1116","0.1371","","","","","","1.016","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514360","24.752","0.006","10.97","0.003","22.093","0.005","90","","90","","90","","5999","3","173.15","","173.15","","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C52 H44 Br2 Cl8 N2 Ni -","- C52 H44 Br2 Cl8 N2 Ni -","- C208 H176 Br8 Cl32 N8 Ni4 -","4","0.5","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.0543","0.0346","","","0.0809","0.089","","","","","","1.018","","","","has coordinates","206132","2020-10-21","18:00:00",""
"4514361","13.579","0.002","14.443","0.002","18.148","0.003","90","","109.503","0.003","90","","3355","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br2 N2 Ni -","- C38 H36 Br2 N2 Ni -","- C152 H144 Br8 N8 Ni4 -","4","1","","Pei, Lixia; Liu, Fengshou; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing","Synthesis of Polyethylenes with Controlled Branching with α-Diimine Nickel Catalysts and Revisiting Formation of Long-Chain Branching","ACS Catalysis","2018","8","2","1104","","10.1021/acscatal.7b03282","","","0.71073","MoKα","","0.1393","0.0966","","","0.2194","0.2339","","","","","","1.157","","","","has coordinates,has disorder","206132","2020-10-21","18:00:00",""
"4514362","14.285","","16.578","","17.357","","95.26","","105.9","","98.58","","3870.77","","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H154 Cu4 N26 O56 Si W12 -","- C140 H128 Cu4 N24 O48 Si W12 -","- C140 H128 Cu4 N24 O48 Si W12 -","1","0.5","","Lu, Bing-Bing; Yang, Jin; Che, Guang-Bo; Pei, Wen-Yuan; Ma, Jian-Fang","Highly Stable Copper(I)-Based Metal-Organic Framework Assembled with Resorcin[4]arene and Polyoxometalate for Efficient Heterogeneous Catalysis of Azide-Alkyne ""Click"" Reaction.","ACS applied materials & interfaces","2018","10","3","2628","2636","10.1021/acsami.7b17306","","","0.71073","MoKα","","0.1347","0.0691","","","0.139","0.1632","","","","","","0.998","","","","has coordinates","206112","2020-10-21","18:00:00",""
"4514363","16.336","0.0013","12.2113","0.001","27.367","0.002","90","","91.146","0.001","90","","5458.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H47 Fe N2 O3 P2 -","- C23 H47 Fe N2 O3 P2 -","- C184 H376 Fe8 N16 O24 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.0634","0.0492","","","0.1251","0.1337","","","","","","1.066","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514364","19.086","0.004","16.908","0.004","15.109","0.003","90","","113.043","0.004","90","","4486.7","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H39 Fe N O2 P2 -","- C19 H39 Fe N O2 P2 -","- C152 H312 Fe8 N8 O16 P16 -","8","2","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.1104","0.0552","","","0.0898","0.1066","","","","","","1.033","","","","has coordinates,has disorder","206128","2020-10-21","18:00:00",""
"4514365","8.6289","0.0006","29.4056","0.0019","13.2362","0.0011","90","","108.974","0.002","90","","3176","0.4","100","2","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C21 H40 F6 Fe Li N O8 P2 S2 -","- C84 H160 F24 Fe4 Li4 N4 O32 P8 S8 -","4","1","","Jayarathne, Upul; Hazari, Nilay; Bernskoetter, Wesley H.","Selective Iron-Catalyzed N-Formylation of Amines using Dihydrogen and Carbon Dioxide","ACS Catalysis","2018","8","2","1338","","10.1021/acscatal.7b03834","","","0.71073","MoKα","","0.066","0.0458","","","0.086","0.0934","","","","","","1.062","","","","has coordinates","206128","2020-10-21","18:00:00",""
"4514366","35.2177","0.0018","35.2177","0.0018","35.2177","0.0018","90","","90","","90","","43680","4","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C78 H94 Ag4 F9 N24 O22 S6 -","- C78 H82.995 Ag4 F9 N24 O21.99 S6 -","- C624 H663.96 Ag32 F72 N192 O175.92 S48 -","8","0.666667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2813","0.0994","","","0.1962","0.2277","","","","","","1.041","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514367","35.191","0.0008","35.191","0.0008","35.191","0.0008","90","","90","","90","","43580.8","1.7","165","2","165","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C150 H164 Ag8 F9 N53 O25 S12 -","- C149.88 H159.78 Ag8 F9 N52.98 O24.99 S12 -","- C599.52 H639.12 Ag32 F36 N211.92 O99.96 S48 -","4","0.333333","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2886","0.0984","","","0.2199","0.2477","","","","","","1.001","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514368","35.835","0.011","35.835","0.011","35.835","0.011","90","","90","","90","","46017","2","230","2","230","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C120 H162 Ag8 F0 N60 O18 S13 -","- C120 H129.96 Ag8 N60 O18.02 S13 -","- C480 H519.84 Ag32 N240 O72.08 S52 -","4","0.166667","","Chang, Zhiduo; Jing, Xu; He, Cheng; Liu, Xin; Duan, Chunying","Silver Clusters as Robust Nodes and π‒Activation Sites for the Construction of Heterogeneous Catalysts for the Cycloaddition of Propargylamines","ACS Catalysis","2018","8","2","1384","","10.1021/acscatal.7b02844","","","0.71073","MoKα","","0.2806","0.0985","","","0.2249","0.2409","","","","","","1.072","","","","has coordinates,has disorder","206129","2020-10-21","18:00:00",""
"4514369","6.78","0.0006","10.4553","0.0009","18.9129","0.0016","90","","90","","90","","1340.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-3-((z)-4-Chlorobenzylidene)-7a-methyl-2,3,3a,7a-tetrahydrobenzofuran-5(4H)-one","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu","Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones","ACS Catalysis","2018","8","2","1440","","10.1021/acscatal.7b04054","","","0.71073","MoKα","","0.0562","0.0549","","","0.1319","0.1326","","","","","","1.254","","","","has coordinates","206130","2020-10-21","18:00:00",""
"4514370","7.528","0.002","16.408","0.004","16.481","0.004","109.521","0.004","101.992","0.004","90.795","0.004","1869.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 N3 O7 Zn -","- C43 H35 N3 O7 Zn -","- C86 H70 N6 O14 Zn2 -","2","1","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.1067","0.0546","","","0.1167","0.1314","","","","","","0.998","","","","has coordinates,has disorder","206109","2020-10-21","18:00:00",""
"4514371","7.488","0.004","8.51","0.004","13.655","0.007","90.845","0.005","103.081","0.005","100.918","0.006","830.7","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","1","0.5","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.122","0.0657","","","0.1844","0.2167","","","","","","1.13","","","","has coordinates","206109","2020-10-21","18:00:00",""
"4514372","10.875","0.004","9.029","0.003","33.42","0.011","90","","96.686","0.011","90","","3259.2","1.9","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H34 N2 O8 Zn -","- C36 H34 N2 O8 Zn0.999 -","- C144 H136 N8 O32 Zn3.996 -","4","0.5","","Li, Qiyang; Wu, Xiuju; Huang, Xiaoli; Deng, Yangjun; Chen, Nanjian; Jiang, Dandan; Zhao, Lili; Lin, Zhihua; Zhao, Yonggang","Tailoring the Fluorescence of AIE-Active Metal-Organic Frameworks for Aqueous Sensing of Metal Ions.","ACS applied materials & interfaces","2018","10","4","3801","3809","10.1021/acsami.7b17762","","","0.71073","MoKα","","0.0853","0.0535","","","0.1662","0.2028","","","","","","0.937","","","","has coordinates,has disorder","206109","2020-10-21","18:00:00",""
"4514373","8.806","0.0009","15.6384","0.0013","27.2005","0.0019","90","","99.286","0.007","90","","3696.7","0.6","108","13","108","13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 N3 O2 -","- C50 H44 N3 O2 -","- C200 H176 N12 O8 -","4","1","","Venkatramaiah, N.; Kumar, G. Dinesh; Chandrasekaran, Yogesh; Ganduri, Ramesh; Patil, Satish","Efficient Blue and Yellow Organic Light-Emitting Diodes Enabled by Aggregation-Induced Emission.","ACS applied materials & interfaces","2018","10","4","3838","3847","10.1021/acsami.7b11025","","x-ray","0.71073","MoKα","","0.1329","0.0959","","","0.2683","0.2982","","","","","","1.055","","","","has coordinates","206110","2020-10-21","18:00:00",""
"4514374","15.4604","0.0006","15.103","0.0006","17.6028","0.0006","90","","96.846","0.003","90","","4080.9","0.3","100","10","100","10","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 N3 O2 -","- C50 H35 N3 O2 -","- C200 H140 N12 O8 -","4","1","","Venkatramaiah, N.; Kumar, G. Dinesh; Chandrasekaran, Yogesh; Ganduri, Ramesh; Patil, Satish","Efficient Blue and Yellow Organic Light-Emitting Diodes Enabled by Aggregation-Induced Emission.","ACS applied materials & interfaces","2018","10","4","3838","3847","10.1021/acsami.7b11025","","","0.71073","MoKα","","0.1683","0.1279","","","0.3043","0.3252","","","","","","1.044","","","","has coordinates","206110","2020-10-21","18:00:00",""
"4514375","9.4004","0.0005","10.3302","0.0006","17.3152","0.0009","90","","97.717","0.005","90","","1666.22","0.16","105.4","0.1","105.4","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5a","rac-(3S,4'R)-4'-(1-(tert-butyl)-1H-tetrazol-5-yl)-1- methylspiro[indoline-3,2'-thiazolidin]-2-one","","- C16 H20 N6 O S -","- C16 H20 N6 O S -","- C64 H80 N24 O4 S4 -","4","1","","Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra","Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.","ACS combinatorial science","2018","20","2","98","105","10.1021/acscombsci.7b00179","","","1.54184","CuKα","","0.0542","0.0512","","","0.1384","0.1423","","","","","","1.036","","","","has coordinates","227510","2020-10-21","18:00:00",""
"4514376","19.435","0.0003","13.112","0.0004","9.575","0.0006","90","","91.632","0.0013","90","","2439.02","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tert-butyl)-3'-(cyclohexanecarbonyl)-1-methyl -2-oxospiro[indoline-3,2'-thiazolidine]-4'-carboxamide","","- C23 H33 N3 O4 S -","- C23 H33 N3 O4 S -","- C92 H132 N12 O16 S4 -","4","1","","Rainoldi, Giulia; Begnini, Fabio; de Munnik, Mariska; Lo Presti, Leonardo; Vande Velde, Christophe M. L.; Orru, Romano; Lesma, Giordano; Ruijter, Eelco; Silvani, Alessandra","Sequential Multicomponent Strategy for the Diastereoselective Synthesis of Densely Functionalized Spirooxindole-Fused Thiazolidines.","ACS combinatorial science","2018","20","2","98","105","10.1021/acscombsci.7b00179","","","0.71073","MoKα","","0.0528","0.0388","","","0.106","0.1158","","","","","","1.052","","","","has coordinates","227510","2020-10-21","18:00:00",""
"4514377","9.418","0.0009","10.2752","0.001","18.5554","0.0018","94.536","0.002","92.905","0.002","96.975","0.001","1773.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Ni O P2 -","- C45 H38 Ni O P2 -","- C90 H76 Ni2 O2 P4 -","2","1","","Zhang, Xin; Tutkowski, Brandon; Oliver, Allen; Helquist, Paul; Wiest, Olaf","Mechanistic Study of the Nickel-Catalyzed α,β-Coupling of Saturated Ketones","ACS Catalysis","2018","8","3","1740","","10.1021/acscatal.7b04105","","","0.71073","MoKα","","0.0474","0.0358","","","0.0868","0.0924","","","","","","1.015","","","","has coordinates","227507","2020-10-21","18:00:00",""
"4514378","4.3637","","8.4176","0.0001","20.062","0.0002","90","","90","","90","","736.915","0.011","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel–Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","x-ray","1.54184","CuKα","","0.0262","0.026","","","0.0676","0.0678","","","","","","1.0564","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4514379","9.4584","0.0012","13.011","0.0016","17.4","0.002","90","","90","","90","","2141.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Br N O3 -","- C26 H20 Br N O3 -","- C104 H80 Br4 N4 O12 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel‒Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","","0.71073","MoKα","","0.082","0.0464","","","0.1071","0.1188","","","","","","1.008","","","","has coordinates","205970","2020-10-21","18:00:00",""
"4514380","13.6373","0.0005","15.8546","0.0006","8.1178","0.0002","90","","104.499","0.002","90","","1699.28","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Kuppusamy, Ramajayam; Santhoshkumar, Rajagopal; Boobalan, Ramadoss; Wu, Hsin-Ru; Cheng, Chien-Hong","Synthesis of 1,2-Dihydroquinolines by Co(III)-Catalyzed [3 + 3] Annulation of Anilides with Benzylallenes","ACS Catalysis","2018","8","3","1880","","10.1021/acscatal.7b04087","","","0.71073","MoKα","","0.0514","0.0409","","","0.0984","0.112","","","","","","1.081","","","","has coordinates","227503","2020-10-21","18:00:00",""
"4514381","9.027","0.004","10.076","0.003","20.28","0.008","90","","90","","90","","1844.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AGC-247","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0653","0.0365","","","0.0833","0.098","","","","","","1.051","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514382","8.8134","0.0003","9.1977","0.0003","10.6394","0.0004","90","","94.6009","0.0017","90","","859.68","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","AGC236","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C40 H38 N2 O8 -","2","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0491","0.0372","","","0.0928","0.108","","","","","","1.107","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514383","13.9676","0.0003","23.8405","0.0005","5.5166","0.0001","90","","90","","90","","1837","0.06","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","FE01059","","","- C18 H17 Br N2 O5 -","- C18 H17 Br N2 O5 -","- C72 H68 Br4 N8 O20 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0591","0.0341","","","0.0862","0.0955","","","","","","1.02","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514384","9.8164","0.0003","14.358","0.0004","17.0526","0.0004","90","","90.736","0.003","90","","2403.26","0.11","293.06","0.1","293.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N2 O3 Rh S -","- C24 H29 N2 O3 Rh S -","- C96 H116 N8 O12 Rh4 S4 -","4","1","","Ran, You; Yang, Yudong; You, Huansha; You, Jingsong","RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes","ACS Catalysis","2018","8","3","1796","","10.1021/acscatal.7b04298","","x-ray","1.54184","CuKα","","0.0643","0.0588","","","0.1633","0.1738","","","","","","1.052","","","","has coordinates","227506","2020-10-21","18:00:00",""
"4514385","6.5654","0.0015","10.974","0.003","11.004","0.002","94.759","0.011","103.001","0.011","106.776","0.01","730.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl 3,5-pyridinedicarboxylate","","","- C11 H10 N2 O9 U -","- C11 H10 N2 O9 U -","- C22 H20 N4 O18 U2 -","2","1","","Liu, Wei; Dai, Xing; Xie, Jian; Silver, Mark A.; Zhang, Duo; Wang, Yanlong; Cai, Yawen; Diwu, Juan; Wang, Jian; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Highly Sensitive Detection of UV Radiation Using a Uranium Coordination Polymer.","ACS applied materials & interfaces","2018","10","5","4844","4850","10.1021/acsami.7b17954","","","0.71073","MoKα","","0.0393","0.034","","","0.0993","0.1048","","","","","","0.906","","","","has coordinates","227492","2020-10-21","18:00:00",""
"4514386","6.5282","0.0006","10.9208","0.0011","10.9233","0.0011","93.983","0.004","106.175","0.004","103.677","0.004","719.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl 3,5-pyridinedicarboxylate","","","- C11 H10 N2 O9 U -","- C11 H10 N2 O9 U -","- C22 H20 N4 O18 U2 -","2","1","","Liu, Wei; Dai, Xing; Xie, Jian; Silver, Mark A.; Zhang, Duo; Wang, Yanlong; Cai, Yawen; Diwu, Juan; Wang, Jian; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Highly Sensitive Detection of UV Radiation Using a Uranium Coordination Polymer.","ACS applied materials & interfaces","2018","10","5","4844","4850","10.1021/acsami.7b17954","","","0.71073","MoKα","","0.0266","0.0232","","","0.0507","0.0517","","","","","","1.089","","","","has coordinates","227492","2020-10-21","18:00:00",""
"4514387","11.693","0.004","6.314","0.002","15.57","0.005","90","","103.875","0.006","90","","1116","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br N O -","- C26 H24 Br N O -","- C52 H48 Br2 N2 O2 -","2","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0821","0.0417","","","0.0956","0.1107","","","","","","0.924","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514388","11.7229","0.0007","13.9765","0.0009","13.8227","0.0008","90","","91.721","0.001","90","","2263.8","0.2","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F6 N3 P Pd -","- C23 H22 F6 N3 P Pd -","- C92 H88 F24 N12 P4 Pd4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0364","0.0277","","","0.0643","0.068","","","","","","1.025","","","","has coordinates","227502","2020-10-21","18:00:00",""
"4514389","11.7874","0.0001","12.6558","0.0001","17.1935","0.0001","106.553","0.001","103.284","0.001","103.641","0.001","2264.59","0.04","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H42 Cl2 N4 -","- C55 H42 Cl2 N4 -","- C110 H84 Cl4 N8 -","2","1","","Xiong, Jianbo; Wang, Kai; Yao, Zhaoquan; Zou, Bo; Xu, Jialiang; Bu, Xian-He","Multi-Stimuli-Responsive Fluorescence Switching from a Pyridine-Functionalized Tetraphenylethene AIEgen.","ACS applied materials & interfaces","2018","10","6","5819","5827","10.1021/acsami.7b18718","","","1.54184","CuKα","","0.1144","0.1091","","","0.4104","0.4387","","","","","","1.031","","","","has coordinates","227493","2020-10-21","18:00:00",""
"4514390","37.303","0.005","24.999","0.004","20.771","0.003","90","","93.068","0.005","90","","19342","5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C140 H88 Cd4 N8 O16 -","- C140 H88 Cd4 N8 O16 -","- C560 H352 Cd16 N32 O64 -","4","1","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.048","0.04","","","0.0933","0.0965","","","","","","1.095","","","","has coordinates","227494","2020-10-21","18:00:00",""
"4514391","16.8306","0.0002","39.0579","0.0005","18.7533","0.0004","90","","95.975","0.002","90","","12260.8","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C70 H44 Cd2 N4 O8 -","- C70 H44 Cd2 N4 O8 -","- C280 H176 Cd8 N16 O32 -","4","1","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.0889","0.079","","","0.2383","0.2487","","","","","","1.102","","","","has coordinates","227494","2020-10-21","18:00:00",""
"4514392","21.952","0.004","21.691","0.004","31.674","0.005","90","","90","","90","","15082","5","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C136 H96 Cd8 Cl0 N40 O48 -","- C136 Cd8 N40 O48 -","- C272 Cd16 N80 O96 -","2","0.25","","Tian, Dan; Liu, Xiao-Jing; Feng, Rui; Xu, Jia-Li; Xu, Jian; Chen, Rong-Ying; Huang, Ling; Bu, Xian-He","Microporous Luminescent Metal-Organic Framework for a Sensitive and Selective Fluorescence Sensing of Toxic Mycotoxin in Moldy Sugarcane.","ACS applied materials & interfaces","2018","10","6","5618","5625","10.1021/acsami.7b15764","","","0.71073","MoKα","","0.153","0.1383","","","0.3751","0.3841","","","","","","1.021","","","","has coordinates,has disorder","227495","2020-10-21","18:00:00",""
"4514393","13.8123","0.0014","17.7997","0.0019","13.9287","0.0015","90","","116.496","0.002","90","","3064.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 Cl2 N5 -","- C37 H25 Cl2 N5 -","- C148 H100 Cl8 N20 -","4","1","","Song, Wenxuan; Shi, Lijiang; Gao, Lei; Hu, Peijun; Mu, Haichuan; Xia, Zhenyuan; Huang, Jinhai; Su, Jianhua","[1,2,4]Triazolo[1,5-a]pyridine as Building Blocks for Universal Host Materials for High-Performance Red, Green, Blue and White Phosphorescent Organic Light-Emitting Devices.","ACS applied materials & interfaces","2018","10","6","5714","5722","10.1021/acsami.7b18202","","","0.71073","MoKα","","0.0818","0.0529","","","0.1265","0.1413","","","","","","1.034","","","","has coordinates,has disorder","227496","2020-10-21","18:00:00",""
"4514394","14.1793","0.0011","34.531","0.003","16.0684","0.0012","90","","113.726","0.001","90","","7202.5","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonhy07","M(e2PheBox)Ir(O2CEt)2","","- C24 H33 Ir N2 O6 -","- C24 H33 Ir N2 O6 -","- C288 H396 Ir12 N24 O72 -","12","3","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0831","0.0428","","","0.0828","0.0956","","","","","","1.016","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514395","17.9996","0.0009","11.5553","0.0006","15.0325","0.0008","90","","100.311","0.001","90","","3076.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy12","","","- C28 H43 Ir N2 O7 -","- C28 H43 Ir N2 O7 -","- C112 H172 Ir4 N8 O28 -","4","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0731","0.041","","","0.0739","0.0849","","","","","","1.022","","","","has coordinates,has disorder","227504","2020-10-21","18:00:00",""
"4514396","10.4412","0.0012","11.3139","0.0013","13.9001","0.0017","75.379","0.002","83.373","0.002","84.494","0.002","1574.4","0.3","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","jonhy10","","","- C34 H39 Ir N2 O7 -","- C34 H39 Ir N2 O7 -","- C68 H78 Ir2 N4 O14 -","2","1","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.0881","0.0465","","","0.0677","0.0767","","","","","","1.023","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514397","12.1132","0.0012","39.536","0.004","11.7754","0.0011","90","","94.196","0.0015","90","","5624.2","1","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","jonhy09","(Me2PheBox)Ir(O2CH=CMe2)(H2O)","","- C28 H39 Ir N2 O7 -","- C28 H39 Ir N2 O7 -","- C224 H312 Ir8 N16 O56 -","8","2","","Yuan, Hongmei; Brennessel, William W.; Jones, William D.","Effect of Carboxylate Ligands on Alkane Dehydrogenation with (dmPhebox)Ir Complexes","ACS Catalysis","2018","8","3","2326","","10.1021/acscatal.7b04057","","","0.71073","MoKα","","0.1021","0.0531","","","0.0945","0.1102","","","","","","1.026","","","","has coordinates","227504","2020-10-21","18:00:00",""
"4514398","20.2301","0.0017","28.431","0.002","43.025","0.003","90","","90","","90","","24746","3","120","2","120","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C87 H190 N3 O38 P Si3 Ti W9 -","- C87 H190 N3 O38 P Si3 Ti W9 -","- C696 H1520 N24 O304 P8 Si24 Ti8 W72 -","8","1","","Zhang, Teng; Mazaud, Louis; Chamoreau, Lise-Marie; Paris, Céline; Proust, Anna; Guillemot, Geoffroy","Unveiling the Active Surface Sites in Heterogeneous Titanium-Based Silicalite Epoxidation Catalysts: Input of Silanol-Functionalized Polyoxotungstates as Soluble Analogues","ACS Catalysis","2018","8","3","2330","","10.1021/acscatal.8b00256","","","0.71073","MoKα","","0.0489","0.0292","","","0.046","0.0506","","","","","","1.064","","","","has coordinates,has disorder","227508","2020-10-21","18:00:00",""
"4514399","12.1203","0.0005","12.6914","0.0006","14.9284","0.0005","92.955","0.003","104.279","0.003","112.139","0.004","2034.44","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N5 O5 -","- C23 H19 N5 O5 -","- C92 H76 N20 O20 -","4","2","","Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR.","ACS combinatorial science","2018","20","4","192","196","10.1021/acscombsci.7b00145","","","1.54184","CuKα","","0.0889","0.0782","","","0.237","0.2446","","","","","","1.112","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514400","17.4516","0.0009","7.5513","0.0004","15.134","0.0008","90","","107.604","0.006","90","","1900.99","0.18","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.2215","0.0834","","","0.1897","0.2728","","","","","","1.0947","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514401","10.0272","0.0006","23.326","0.0013","22.7595","0.0012","90","","95.922","0.002","90","","5294.9","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H51 Cl3 F6 N3 P3 Ru -","- C61 H51 Cl3 F6 N3 P3 Ru -","- C244 H204 Cl12 F24 N12 P12 Ru4 -","4","1","","Paul, Bhaskar; Shee, Sujan; Panja, Dibyajyoti; Chakrabarti, Kaushik; Kundu, Sabuj","Direct Synthesis of N,N-Dimethylated and β-Methyl N,N-Dimethylated Amines from Nitriles Using Methanol: Experimental and Computational Studies","ACS Catalysis","2018","8","4","2890","","10.1021/acscatal.8b00021","","","0.71073","MoKα","","0.1801","0.0816","","","0.1682","0.211","","","","","","1.0774","","","","has coordinates","227499","2020-10-21","18:00:00",""
"4514402","9.237","0.011","14.35","0.017","15.229","0.018","64.097","0.015","89.123","0.015","81.153","0.015","1791","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Cl4 N6 O Zn2 -","- C32 H20 Cl4 N6 Zn2 -","- C64 H40 Cl8 N12 Zn4 -","2","1","","Wang, Ani; Fan, Ruiqing; Zhou, Xuesong; Hao, Sue; Zheng, Xubin; Yang, Yulin","Hot-Pressing Method To Prepare Imidazole-Based Zn(II) Metal-Organic Complexes Coatings for Highly Efficient Air Filtration.","ACS applied materials & interfaces","2018","10","11","9744","9755","10.1021/acsami.8b01287","","","0.71073","MoKα","","0.1775","0.079","","","0.2123","0.267","","","","","","1.178","","","","has coordinates","227498","2020-10-21","18:00:00",""
"4514403","5.0799","0.0002","11.1129","0.0005","15.2119","0.0004","83.859","0.003","87.033","0.003","83.521","0.003","847.68","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 Ca I2.4 O8 -","- C34 H20 Ca I2.4074 O8 -","- C34 H20 Ca I2.4074 O8 -","1","0.5","","Banerjee, Debasis; Chen, Xianyin; Lobanov, Sergey S.; Plonka, Anna M.; Chan, Xiaojun; Daly, John A.; Kim, Taejin; Thallapally, Praveen K.; Parise, John B.","Iodine Adsorption in Metal Organic Frameworks in the Presence of Humidity.","ACS applied materials & interfaces","2018","10","13","10622","10626","10.1021/acsami.8b02651","","","0.71073","MoKα","","0.043","0.0353","","","0.0846","0.0893","","","","","","1.048","","","","has coordinates","227497","2020-10-21","18:00:00",""
"4515256","9.0016","0.0003","10.0412","0.0002","15.461","0.0006","92.633","0.002","106.665","0.003","97.402","0.002","1322.56","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C40 H32 N4 O8 -","2","1","","Lou, Xiaobing; Geng, Fushan; Hu, Bei; Li, Chao; Shen, Ming; Hu, Bingwen","Reversible High-Voltage N-Redox Chemistry in Metal‒Organic Frameworks for High-Rate Anion-Intercalation Batteries","ACS Applied Energy Materials","2018","2","1","413","","10.1021/acsaem.8b01428","","x-ray","1.54184","CuKα","","0.087","0.0789","","","0.2322","0.2417","","","","","","1.1","","","","has coordinates","225423","2020-10-21","18:00:00",""
"4515257","15.3952","0.0002","18.0382","0.0002","18.1058","0.0002","90","","102.027","0.001","90","","4917.64","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 N8 O12 Zn2 -","- C45 H56 N8 O12 Zn2 -","- C180 H224 N32 O48 Zn8 -","4","1","","Lou, Xiaobing; Geng, Fushan; Hu, Bei; Li, Chao; Shen, Ming; Hu, Bingwen","Reversible High-Voltage N-Redox Chemistry in Metal‒Organic Frameworks for High-Rate Anion-Intercalation Batteries","ACS Applied Energy Materials","2018","2","1","413","","10.1021/acsaem.8b01428","","x-ray","1.54184","CuKα","","0.072","0.0647","","","0.1751","0.1808","","","","","","1.044","","","","has coordinates","225424","2020-10-21","18:00:00",""
"4515258","11.115","0.003","13.164","0.004","16.625","0.005","90","","94.204","0.007","90","","2426","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 Al0.57 Ga0.43 N3 O4 -","- C29 H24 Al0.567 Ga0.433 N3 O4 -","- C116 H96 Al2.268 Ga1.732 N12 O16 -","4","1","","Dai, Chenghu; Wei, Zhixian; Chen, Zhen; Yan, Xueyu; Fan, Jihui; Yang, Yiying; Pang, Zhiyong; Han, Shenghao","Homogeneous Alloy-like Organic Single Crystals Based on Nonplanar 8-Hydroxyquinoline Metallic Complexes: A Novel Pathway to Supramolecular Crystals with an Arbitrarily Adjustable Stoichiometric Ratio","ACS Applied Energy Materials","2018","1","8","4367","","10.1021/acsaem.8b00996","","","0.71073","MoKα","","0.0869","0.0514","","","0.122","0.1538","","","","","","1.027","","","","has coordinates,has disorder","225425","2020-10-21","18:00:00",""
"4515259","8.3965","0.0016","9.4271","0.0019","15.415","0.003","73.805","0.005","77.853","0.005","75.274","0.005","1120.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","5-(3,5,6-tris(1H-tetrazol-5-yl)pyrazin-2-yl)-1H-tetrazol-4-ium hydroxonium bis(hydrogen sulfate) trihydrate","","- C8 H16 N18 O12 S2 -","- C8 H16 N18 O12 S2 -","- C16 H32 N36 O24 S4 -","2","1","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.1412","0.0529","","","0.1133","0.15","","","","","","0.985","","","","has coordinates,has disorder","225426","2020-10-21","18:00:00",""
"4515260","14.614","0.011","6.058","0.004","14.036","0.01","90","","92.05","0.011","90","","1241.8","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,5,6-tetra(1H-tetrazol-5-yl)pyrazine bis tetrahydrofuran solvate dihydrate","","- C16 H24 N18 O4 -","- C16 H24 N18 O4 -","- C32 H48 N36 O8 -","2","0.5","","Witkowski, Tomasz G.; Sebastiao, Elena; Gabidullin, Bulat; Hu, Anguang; Zhang, Fan; Murugesu, Muralee","2,3,5,6-Tetra(1H-tetrazol-5-yl)pyrazine: A Thermally Stable Nitrogen-Rich Energetic Material","ACS Applied Energy Materials","2018","1","2","589","","10.1021/acsaem.7b00138","","","0.71073","MoKα","","0.0949","0.0618","","","0.1618","0.1828","","","","","","1.039","","","","has coordinates","225427","2020-10-21","18:00:00",""
"4515261","20.4309","0.0005","7.7088","0.0002","13.2611","0.0004","90","","90","","90","","2088.59","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H15 Bi2 Cl9 N3 -","- C3 H15 Bi2 Cl9 N3 -","- C12 H60 Bi8 Cl36 N12 -","4","0.5","","Ahmad, Khursheed; Ansari, Shagufi Naz; Natarajan, Kaushik; Mobin, Shaikh M.","Design and Synthesis of 1D-Polymeric Chain Based [(CH3NH3)3Bi2Cl9]n Perovskite: A New Light Absorber Material for Lead Free Perovskite Solar Cells","ACS Applied Energy Materials","2018","1","6","2405","","10.1021/acsaem.8b00437","","","0.71073","MoKα","","0.0492","0.0445","","","0.1132","0.1177","","","","","","1.176","","","","has coordinates","225428","2020-10-21","18:00:00",""
"4515262","4.9245","0.0002","10.6166","0.0005","18.9713","0.0008","79.374","0.002","86.96","0.001","84.946","0.002","970.36","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 Co4 O14 -","- C15 H20 Co4 O14 -","- C30 H40 Co8 O28 -","2","1","","Song, Xueling; Peng, Chengdong; Fei, Honghan","Enhanced Electrocatalytic Oxygen Evolution by Exfoliation of a Metal‒Organic Framework Containing Cationic One-Dimensional [Co4(OH)2]6+ Chains","ACS Applied Energy Materials","2018","1","6","2446","","10.1021/acsaem.8b00659","","","0.71073","MoKα","","0.0752","0.0537","","","0.1333","0.1482","","","","","","1.039","","","","has coordinates","225429","2020-10-21","18:00:00",""
"4515263","10.46","0.003","25.154","0.007","15.808","0.004","90","","98.373","0.004","90","","4114.9","1.9","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Ir N5 O11 P2 -","- C38 H40 Ir N5 O11 P2 -","- C152 H160 Ir4 N20 O44 P8 -","4","1","","Kobayashi, Atsushi; Watanabe, Shuhei; Yoshida, Masaki; Kato, Masako","Importance of the Molecular Orientation of an Iridium(III)-Heteroleptic Photosensitizer Immobilized on TiO2 Nanoparticles","ACS Applied Energy Materials","2018","1","6","2882","","10.1021/acsaem.8b00538","","","0.71075","MoKα","","0.0954","0.0799","","","0.1408","0.1486","","","","","","1.196","","","","has coordinates","225430","2020-10-21","18:00:00",""
"4515264","22.777","0.008","22.777","0.008","13.338","0.005","90","","90","","120","","5993","4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.054","0.0463","","","0.1402","0.1463","","","","","","1.131","","","","has coordinates","225431","2020-10-21","18:00:00",""
"4515265","22.711","0.003","22.711","0.003","13.3033","0.0019","90","","90","","120","","5942.4","1.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C36 H43 Mo12 N6 O41 P Zn4 -","- C36 H38 Mo12 N6 O41 P Zn4 -","- C108 H114 Mo36 N18 O123 P3 Zn12 -","3","0.5","","Cheng, Weiwei; Shen, Feng-Cui; Xue, Yun-shan; Luo, Ximing; Fang, Min; Lan, Ya-Qian; Xu, Yan","A Pair of Rare Three-Dimensional Chiral Polyoxometalate-Based Metal‒Organic Framework Enantiomers Featuring Superior Performance as the Anode of Lithium-Ion Battery","ACS Applied Energy Materials","2018","1","9","4931","","10.1021/acsaem.8b00938","","","0.71073","MoKα","","0.0813","0.0566","","","0.1549","0.1697","","","","","","1.066","","","","has coordinates","225432","2020-10-21","18:00:00",""
"4515266","12.882","0.004","61.295","0.015","16.037","0.004","90","","106.93","0.004","90","","12114","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C85 H88 I10 N12 O16 Pb3 -","- C85 H88 I10 N12 O16 Pb3 -","- C340 H352 I40 N48 O64 Pb12 -","4","1","","Li, Xiaomin; Yang, Jin; Song, Ziyi; Chen, Ruiping; Ma, Lulu; Li, Haining; Jia, Jiong; Meng, Jiao; Li, Xuan; Yi, Mingdong; Sun, Xuan","Naphthalene Diimide Ammonium Directed Single-Crystalline Perovskites with “Atypical” Ambipolar Charge Transport Signatures in Two-Dimensional Limit","ACS Applied Energy Materials","2018","1","9","4467","","10.1021/acsaem.8b00988","","","0.71073","MoKα","","0.1167","0.0952","","","0.2633","0.2878","","","","","","1.042","","","","has coordinates","225433","2020-10-21","18:00:00",""
"4515267","11.8505","0.0005","12.9199","0.0006","13.3596","0.0006","90","","110.17","0.001","90","","1920.01","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 B2 F4 N4 -","- C22 H16 B2 F4 N4 -","- C88 H64 B8 F16 N16 -","4","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","0.71073","MoKα","","0.0409","0.0365","","","0.102","0.1061","","","","","","1.043","","","","has coordinates","225434","2020-10-21","18:00:00",""
"4515268","27.274","0.005","11.91","0.002","23.368","0.004","90","","115.244","0.011","90","","6866","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis_alpha_DIPYR","","","- C41 H31 B2 F4 N4 -","- C41 H31 B2 F4 N4 -","- C328 H248 B16 F32 N32 -","8","1","","Golden, Jessica H.; Estergreen, Laura; Porter, Tyler; Tadle, Abegail C.; Sylvinson M. R., Daniel; Facendola, John W.; Kubiak, Clifford P.; Bradforth, Stephen E.; Thompson, Mark E.","Symmetry-Breaking Charge Transfer in Boron Dipyridylmethene (DIPYR) Dimers","ACS Applied Energy Materials","2018","1","3","1083","","10.1021/acsaem.7b00214","","","1.54178","CuKα","","0.163","0.1248","","","0.3071","0.3431","","","","","","1.211","","","","has coordinates","225435","2020-10-21","18:00:00",""
"4515269","9.1428","0.0002","10.2642","0.0002","16.5067","0.0004","103.037","0.001","103.071","0.001","99.681","0.001","1430.27","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H20 F6 N5 P Pt -","- C31 H20 F6 N5 P Pt -","- C62 H40 F12 N10 P2 Pt2 -","2","1","","Delcanale, Pietro; Galstyan, Anzhela; Daniliuc, Constantin G.; Grecco, Hernan E.; Abbruzzetti, Stefania; Faust, Andreas; Viappiani, Cristiano; Strassert, Cristian A.","Oxygen-Insensitive Aggregates of Pt(II) Complexes as Phosphorescent Labels of Proteins with Luminescence Lifetime-Based Readouts.","ACS applied materials & interfaces","2018","10","29","24361","24369","10.1021/acsami.8b02709","","","0.71073","MoKα","","0.0236","0.0232","","","0.0609","0.0612","","","","","","1.053","","","","has coordinates","225436","2020-10-21","18:00:00",""
"4515270","3.882342","0.000057","3.882342","0.000057","11.10258","0.00024","90","","90","","90","","167.345","0.005","300","","300","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Bi0.02 La0.98 O7 Rb Ta2 -","- Bi0.02 La0.98 O7 Rb Ta2 -","- Bi0.02 La0.98 O7 Rb Ta2 -","1","0.0625","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.72","1.828","","","","","","","has coordinates","225437","2020-10-21","18:00:00",""
"4515271","3.895841","0.000086","3.895841","0.000086","25.81201","0.00078","90","","90","","90","","391.764","0.017","300","","300","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- Bi0.04 La1.96 Na2 O16.77 Ta4 -","- Bi0.04 La1.96 Na2 O16.768 Ta4 -","- Bi0.04 La1.96 Na2 O16.768 Ta4 -","1","0.03125","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.05","2.08","","","","","","","has coordinates","225438","2020-10-21","18:00:00",""
"4515272","3.899257","0.000075","21.90051","0.00056","3.883766","0.00008","90","","90","","90","","331.657","0.013","300","","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","- Bi0.04 K2 La1.96 O14 Ta4 -","1","0.0625","","Zhou, Guojun; Jiang, Xingxing; Zhao, Jing; Molokeev, Maxim; Lin, Zheshuai; Liu, Quanlin; Xia, Zhiguo","Two-Dimensional-Layered Perovskite ALaTa<sub>2</sub>O<sub>7</sub>:Bi<sup>3+</sup> (A = K and Na) Phosphors with Versatile Structures and Tunable Photoluminescence.","ACS applied materials & interfaces","2018","10","29","24648","24655","10.1021/acsami.8b08129","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.92","1.927","","","","","","","has coordinates","225439","2020-10-21","18:00:00",""
"4515273","12.2446","0.0004","9.4399","0.0004","27.8334","0.001","90","","94.697","0.003","90","","3206.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C73 H65 Br2 Cl2 N2 -","- C73 H66 Br2 Cl2 N2 -","- C146 H132 Br4 Cl4 N4 -","2","1","","Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong","Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.","ACS applied materials & interfaces","2018","10","28","24249","24257","10.1021/acsami.8b04113","","","1.54178","CuKα","","0.1051","0.0796","","","0.2284","0.2594","","","","","","1.049","","","","has coordinates,has disorder","225441","2020-10-21","18:00:00",""
"4515274","12.469","0.002","9.4902","0.0016","58.072","0.013","90","","90.163","0.019","90","","6872","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H41 Br Cl N O -","- C39.5 H41 Br Cl N O -","- C316 H328 Br8 Cl8 N8 O8 -","8","2","","Li, Nan; Liu, Yan Yan; Li, Yan; Zhuang, Jia Bao; Cui, Rong Rong; Gong, Qian; Zhao, Na; Tang, Ben Zhong","Fine Tuning of Emission Behavior, Self-Assembly, Anion Sensing, and Mitochondria Targeting of Pyridinium-Functionalized Tetraphenylethene by Alkyl Chain Engineering.","ACS applied materials & interfaces","2018","10","28","24249","24257","10.1021/acsami.8b04113","","","1.54178","CuKα","","0.242","0.1206","","","0.2312","0.2976","","","","","","1.066","","","","has coordinates,has disorder","225442","2020-10-21","18:00:00",""
"4515275","25.6353","0.0016","10.4616","0.0007","21.7893","0.0015","90","","110.438","0.001","90","","5475.7","0.6","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H18.5 Dy2 N2 O12 -","- C17.5 H18.5 Dy2 N2 O12 -","- C140 H148 Dy16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0372","0.0278","","","0.0663","0.0695","","","","","","1.031","","","","has coordinates","225443","2020-10-21","18:00:00",""
"4515276","25.594","0.004","10.306","0.0015","21.68","0.003","90","","109.638","0.002","90","","5385.9","1.4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H17.5 Er2 N2 O12 -","- C17.5 H17.5 Er2 N2 O12 -","- C140 H140 Er16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0377","0.0287","","","0.0744","0.0778","","","","","","1.035","","","","has coordinates","225444","2020-10-21","18:00:00",""
"4515277","25.809","0.005","10.2855","0.0016","21.999","0.004","90","","110.4","0.003","90","","5473.6","1.7","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17.5 H17.5 Gd2 N2 O12 -","- C17.5 H17.5 Gd2 N2 O12 -","- C140 H140 Gd16 N16 O96 -","8","1","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.0416","0.0373","","","0.0856","0.0875","","","","","","1.07","","","","has coordinates","225445","2020-10-21","18:00:00",""
"4515278","25.81","0.015","10.557","0.005","22.042","0.014","90","","111.294","0.013","90","","5596","6","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 Eu4 N3 O24 -","- C32 H33 Eu4 N3 O24 -","- C128 H132 Eu16 N12 O96 -","4","0.5","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.1077","0.0971","","","0.2182","0.2226","","","","","","1.208","","","","has coordinates,has disorder","225446","2020-10-21","18:00:00",""
"4515279","26","0.03","10.644","0.015","22.23","0.03","90","","110.537","0.018","90","","5761","13","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 N3 O24 Tb4 -","- C32 H33 N3 O24 Tb4 -","- C128 H132 N12 O96 Tb16 -","4","0.5","","Zhang, Qiangsheng; Wang, Jun; Kirillov, Alexander M.; Dou, Wei; Xu, Cong; Xu, Cailing; Yang, Lizi; Fang, Ran; Liu, Weisheng","Multifunctional Ln-MOF Luminescent Probe for Efficient Sensing of Fe<sup>3+</sup>, Ce<sup>3+</sup>, and Acetone.","ACS applied materials & interfaces","2018","10","28","23976","23986","10.1021/acsami.8b06103","","","0.71073","MoKα","","0.1056","0.0767","","","0.2132","0.2404","","","","","","0.978","","","","has coordinates,has disorder","225447","2020-10-21","18:00:00",""
"4515280","5.0163","0.0002","19.3714","0.0008","24.5442","0.001","90","","90","","90","","2385.03","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C120 H100 N4 O20 -","4","1","","Arnon, Zohar A.; Pinotsi, Dorothea; Schmidt, Matthias; Gilead, Sharon; Guterman, Tom; Sadhanala, Aditya; Ahmad, Shahab; Levin, Aviad; Walther, Paul; Kaminski, Clemens F.; Fändrich, Marcus; Kaminski Schierle, Gabriele S.; Adler-Abramovich, Lihi; Shimon, Linda J. W.; Gazit, Ehud","Opal-like Multicolor Appearance of Self-Assembled Photonic Array.","ACS applied materials & interfaces","2018","10","24","20783","20789","10.1021/acsami.8b04912","","","1.54178","CuKα","","0.152","0.073","","","0.1489","0.1809","","","","","","1.102","","","","has coordinates","225448","2020-10-21","18:00:00",""
"4515281","18.6707","0.0009","18.6707","0.0009","39.262","0.006","90","","90","","120","","11853","2","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C28 H20 Cu2 O12 -","- C28 H16 Cu2 O12 -","- C252 H144 Cu18 O108 -","9","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; Xiong, Shunshun; Krishna, Rajamani; He, Yabing","Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs.","ACS applied materials & interfaces","2018","10","24","20559","20568","10.1021/acsami.8b05216","","","0.71073","MoKα","","0.1159","0.0861","","","0.2342","0.243","","","","","","1.603","","","","has coordinates","225449","2020-10-21","18:00:00",""
"4515282","32.3534","0.0009","18.2884","0.0004","32.7902","0.0011","90","","111.698","0.004","90","","18027","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H60 Cu6 O36 -","- C84 H60 Cu6 O36 -","- C336 H240 Cu24 O144 -","4","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; Xiong, Shunshun; Krishna, Rajamani; He, Yabing","Exploring the Effect of Ligand-Originated MOF Isomerism and Methoxy Group Functionalization on Selective Acetylene/Methane and Carbon Dioxide/Methane Adsorption Properties in Two NbO-Type MOFs.","ACS applied materials & interfaces","2018","10","24","20559","20568","10.1021/acsami.8b05216","","","0.71073","MoKα","","0.1248","0.1006","","","0.2941","0.324","","","","","","1.074","","","","has coordinates,has disorder","225450","2020-10-21","18:00:00",""
"4515283","31.681","0.006","13.796","0.003","51.247","0.01","90","","100.14","0.03","90","","22049","8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H80 Cl2 N2 O22 Zr6 -","- C81 H80 Cl2 N2 O22 Zr6 -","- C648 H640 Cl16 N16 O176 Zr48 -","8","2","","Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul; Lee, Sungmin; Kwak, Sang Kyu; Choe, Wonyoung","Porous Zr<sub>6</sub>L<sub>3</sub> Metallocage with Synergetic Binding Centers for CO<sub>2</sub>.","ACS applied materials & interfaces","2018","10","10","8685","8691","10.1021/acsami.7b18836","","","0.71073","MoKα","","0.0572","0.052","","","0.1452","0.1486","","","","","","1.051","","","","has coordinates","225451","2020-10-21","18:00:00",""
"4515284","13.093","0.003","20.8","0.004","39.643","0.008","90","","94.91","0.03","90","","10757","4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H60 Cl2 N0 O26 S3 Zr6 -","- C72 H60 Cl2 O26 S3 Zr6 -","- C288 H240 Cl8 O104 S12 Zr24 -","4","2","","Lee, Soochan; Lee, Jeong Hyeon; Kim, Jin Chul; Lee, Sungmin; Kwak, Sang Kyu; Choe, Wonyoung","Porous Zr<sub>6</sub>L<sub>3</sub> Metallocage with Synergetic Binding Centers for CO<sub>2</sub>.","ACS applied materials & interfaces","2018","10","10","8685","8691","10.1021/acsami.7b18836","","","0.71073","MoKα","","0.06","0.0569","","","0.1486","0.1506","","","","","","1.078","","","","has coordinates","225452","2020-10-21","18:00:00",""
"4515285","33.167","0.002","15.2803","0.0009","13.9377","0.0008","90","","106.082","0.005","90","","6787.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Co N7 O7 -","- C38 H26 Co N7 O7 -","- C304 H208 Co8 N56 O56 -","8","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.046","0.0372","","","0.0959","0.1027","","","","","","1.047","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515286","9.162","0.0006","11.9825","0.0008","16.9489","0.0011","70.984","0.002","88.1","0.003","86.683","0.003","1756","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Co N7 O8 -","- C38 H26 Co N7 O8 -","- C76 H52 Co2 N14 O16 -","2","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.0491","0.0439","","","0.1293","0.1339","","","","","","1.067","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515287","9.061","0.002","10.968","0.003","17.363","0.004","95.192","0.004","101.041","0.004","92.289","0.004","1683.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Co N7 O6 -","- C38 H26 Co N7 O6 -","- C76 H52 Co2 N14 O12 -","2","1","","Wang, Kuaibing; Cao, Xiaoran; Wang, Saier; Zhao, Wenjia; Xu, Jiangyan; Wang, Zikai; Wu, Hua","Interpenetrated and Polythreaded Co<sup>II</sup>-Organic Frameworks as a Supercapacitor Electrode Material with Ultrahigh Capacity and Excellent Energy Delivery Efficiency.","ACS applied materials & interfaces","2018","10","10","9104","9115","10.1021/acsami.7b16141","","","0.71073","MoKα","","0.0396","0.0333","","","0.093","0.1005","","","","","","1.044","","","","has coordinates","225453","2020-10-21","18:00:00",""
"4515288","6.9996","0.0007","10.0807","0.001","14.6724","0.0015","90","","103.567","0.001","90","","1006.41","0.18","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.0415","0.0344","","","0.1195","0.1311","","","","","","1.064","","","","has coordinates","225454","2020-10-21","18:00:00",""
"4515289","6.5612","0.0015","18.654","0.004","8.5145","0.0019","90","","99.983","0.003","90","","1026.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H10 F4 N4 -","- C28 H10 F4 N4 -","- C56 H20 F8 N8 -","2","0.5","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.0525","0.039","","","0.1178","0.1313","","","","","","0.934","","","","has coordinates","225455","2020-10-21","18:00:00",""
"4515290","8.919","0.002","26.62","0.007","17.322","0.005","90","","100.392","0.004","90","","4045.2","1.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H12 F N4 -","- C28 H12 F N4 -","- C224 H96 F8 N32 -","8","2","","Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun","Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F<sub>4</sub>TCNQ.","ACS applied materials & interfaces","2018","10","51","44654","44659","10.1021/acsami.8b16848","","","0.71073","MoKα","","0.2329","0.0795","","","0.1643","0.2261","","","","","","0.923","","","","has coordinates,has disorder","225456","2020-10-21","18:00:00",""
"4515291","14.9714","0.0017","11.0724","0.0013","9.5523","0.0011","90","","102.998","0.002","90","","1542.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 Cl N2 O5 Re -","- C15 H8 Cl N2 O5 Re -","- C60 H32 Cl4 N8 O20 Re4 -","4","1","","Johnson, Eric M.; Haiges, Ralf; Marinescu, Smaranda C.","Covalent-Organic Frameworks Composed of Rhenium Bipyridine and Metal Porphyrins: Designing Heterobimetallic Frameworks with Two Distinct Metal Sites.","ACS applied materials & interfaces","2018","10","44","37919","37927","10.1021/acsami.8b07795","","","0.71073","MoKα","","0.0561","0.0347","","","0.0745","0.0818","","","","","","1.04","","","","has coordinates","225457","2020-10-21","18:00:00",""
"4515292","10.8008","0.0005","10.8008","0.0005","10.8008","0.0005","90","","90","","90","","1259.99","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al11.4 Ba8 Ge34.6 -","- Al11.402 Ba8 Ge34.472 -","- Al11.402 Ba8 Ge34.472 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0311","0.0256","","","0.0521","0.0535","","","","","","1.133","","","","has coordinates","225458","2020-10-21","18:00:00",""
"4515293","10.7411","0.001","10.7411","0.001","10.7411","0.001","90","","90","","90","","1239.2","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al6.1 Ba8 Ge37.9 -","- Al6.118 Ba8 Ge37.884 -","- Al6.118 Ba8 Ge37.884 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0366","0.0278","","","0.0596","0.0621","","","","","","1.102","","","","has coordinates","225459","2020-10-21","18:00:00",""
"4515294","10.8385","0.0017","10.8385","0.0017","10.8385","0.0017","90","","90","","90","","1273.2","0.3","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al13.9 Ba8 Ge32.1 -","- Al13.908 Ba8 Ge32.092 -","- Al13.908 Ba8 Ge32.092 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0495","0.0312","","","0.06","0.064","","","","","","1.034","","","","has coordinates","225460","2020-10-21","18:00:00",""
"4515295","10.8425","0.0006","10.8425","0.0006","10.8425","0.0006","90","","90","","90","","1274.64","0.12","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al14.5 Ba8 Ge31.5 -","- Al14.31 Ba8 Ge31.69 -","- Al14.31 Ba8 Ge31.69 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0338","0.0214","","","0.0368","0.0396","","","","","","1.039","","","","has coordinates","225461","2020-10-21","18:00:00",""
"4515296","10.819","0.003","10.819","0.003","10.819","0.003","90","","90","","90","","1266.4","0.6","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al15.6 Ba8 Ge30.4 -","- Al15.53 Ba8 Ge30.47 -","- Al15.53 Ba8 Ge30.47 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0598","0.0346","","","0.0693","0.0771","","","","","","0.947","","","","has coordinates","225462","2020-10-21","18:00:00",""
"4515297","10.6335","0.0015","10.6335","0.0015","10.6335","0.0015","90","","90","","90","","1202.3","0.3","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ge42.8 -","- Ba8 Ge42.784 -","- Ba8 Ge42.784 -","1","0.0208333","","Dopilka, Andrew; Zhao, Ran; Weller, J. Mark; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Experimental and Computational Study of the Lithiation of Ba<sub>8</sub>Al <sub>y</sub>Ge<sub>46- y</sub> Based Type I Germanium Clathrates.","ACS applied materials & interfaces","2018","10","44","37981","37993","10.1021/acsami.8b11509","","","0.71073","MoKα","","0.0472","0.0314","","","0.0557","0.0601","","","","","","1.025","","","","has coordinates","225463","2020-10-21","18:00:00",""
"4515298","44.73","0.006","44.73","0.006","62.671","0.013","90","","90","","120","","108591","3","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C124 H218 Cu8 N40 O46 S -","- C48 H18 Cu8 N24 O22 S -","- C864 H324 Cu144 N432 O396 S18 -","18","0.5","","Wang, Dongmei; Zhang, Jian; Li, Guanghua; Yuan, Jiaqi; Li, Jiantang; Huo, Qisheng; Liu, Yunling","Mesoporous Hexanuclear Copper Cluster-Based Metal-Organic Framework with Highly Selective Adsorption of Gas and Organic Dye Molecules.","ACS applied materials & interfaces","2018","10","37","31233","31239","10.1021/acsami.8b06340","","","0.71073","MoKα","","0.1393","0.0604","","","0.1297","0.1476","","","","","","0.842","","","","has coordinates","225464","2020-10-21","18:00:00",""
"4515299","25","0.005","25","0.005","33.342","0.005","90","0.005","90","0.005","120","0.005","18047","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 Cu6 N42 O64 P2 W18 -","- C60 H42 Cu6 N42 O62 P2 W18 -","- C360 H252 Cu36 N252 O372 P12 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.053","0.0366","","","0.0864","0.0928","","","","","","0.898","","","","has coordinates","225465","2020-10-21","18:00:00",""
"4515300","24.991","0.005","24.991","0.005","33.361","0.005","90","0.005","90","0.005","120","0.005","18044","6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C60 H46 As2 Cu6 N42 O64 W18 -","- C60 H42 As2 Cu6 N42 O62 W18 -","- C360 H252 As12 Cu36 N252 O372 W108 -","6","0.333333","","Zhang, Li; Li, Shaobin; Gómez-García, Carlos J; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Bonan","Two Novel Polyoxometalate-Encapsulated Metal-Organic Nanotube Frameworks as Stable and Highly Efficient Electrocatalysts for Hydrogen Evolution Reaction.","ACS applied materials & interfaces","2018","10","37","31498","31504","10.1021/acsami.8b10447","","","0.71069","MoKα","","0.1425","0.0693","","","0.1837","0.2343","","","","","","0.944","","","","has coordinates","225467","2020-10-21","18:00:00",""
"4515301","16.155","0.0009","15.9078","0.0007","44.217","0.003","90","","90","","90","","11363.3","1.1","172.6","","172.6","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C81 H60 Co4 N8 O24 -","- C81 H60 Co4 N8 O24 -","- C324 H240 Co16 N32 O96 -","4","0.5","","Duan, Jingui; Yan, Rui; Qin, Linlin; Wang, Yong; Wen, Lili; Cheng, Shaoxiao; Xu, Hui; Feng, Pingyun","Highly Selective Gaseous and Liquid-Phase Separation over a Novel Cobalt(II) Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","27","23009","23017","10.1021/acsami.8b02714","","","0.71073","MoKα","","0.0972","0.0634","","","0.1639","0.182","","","","","","1.03","","","","has coordinates","225468","2020-10-21","18:00:00",""
"4515302","40.9391","0.0011","11.4058","0.0004","22.6428","0.0007","90","","91.146","0.002","90","","10570.8","0.6","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H60 O11 -","- C56 H60 O11 -","- C448 H480 O88 -","8","2","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1053","0.0763","","","0.1928","0.2173","","","","","","1.01","","","","has coordinates,has disorder","225469","2020-10-21","18:00:00",""
"4515303","40.8447","0.0015","11.5057","0.0004","22.7109","0.0009","90","","91.315","0.003","90","","10670.1","0.7","172.8","","172.8","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 O11 -","- C57 H60 O11 -","- C456 H480 O88 -","8","2","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1507","0.1211","","","0.3073","0.3265","","","","","","1.071","","","","has coordinates,has disorder","225470","2020-10-21","18:00:00",""
"4515304","13.6097","0.0012","18.0867","0.0011","21.2266","0.0014","90","","95.041","0.007","90","","5204.8","0.7","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 O11 -","- C54 H60 O11 -","- C216 H240 O44 -","4","1","","Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe","Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.","ACS applied materials & interfaces","2018","10","27","23147","23153","10.1021/acsami.8b06396","","","0.71073","MoKα","","0.1577","0.0802","","","0.2251","0.2901","","","","","","1.044","","","","has coordinates","225471","2020-10-21","18:00:00",""
"4515305","16.5267","0.0006","10.5283","0.0003","18.7054","0.0006","90","","90","","90","","3254.7","0.18","304","2","304","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C180 H116 N20 -","4","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.0757","0.045","","","0.0871","0.0973","","","","","","1.099","","","","has coordinates","225472","2020-10-21","18:00:00",""
"4515306","11.1768","0.0011","12.6856","0.0012","15.1208","0.0013","84.883","0.004","69.738","0.004","77.024","0.004","1959.7","0.3","306","2","306","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H37 N5 -","- C52 H37 N5 -","- C104 H74 N10 -","2","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.186","0.0713","","","0.1312","0.1658","","","","","","1.007","","","","has coordinates","225473","2020-10-21","18:00:00",""
"4515307","9.7433","0.0012","12.4576","0.0014","14.0248","0.0017","89.494","0.006","75.884","0.006","85.842","0.006","1646.5","0.3","305","2","305","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C90 H58 N10 -","2","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.1784","0.0758","","","0.1264","0.1587","","","","","","1.054","","","","has coordinates","225474","2020-10-21","18:00:00",""
"4515308","9.4377","0.0006","19.5438","0.0012","17.6109","0.0009","90","","91.629","0.002","90","","3247","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C45 H29 N5 -","- C45 H29 N5 -","- C180 H116 N20 -","4","1","","Oh, Chan Seok; Pereira, Daniel de Sa; Han, Si Hyun; Park, Hee-Jun; Higginbotham, Heather F.; Monkman, Andrew P.; Lee, Jun Yeob","Dihedral Angle Control of Blue Thermally Activated Delayed Fluorescent Emitters through Donor Substitution Position for Efficient Reverse Intersystem Crossing.","ACS applied materials & interfaces","2018","10","41","35420","35429","10.1021/acsami.8b10595","","","0.71073","MoKα","","0.172","0.0689","","","0.1083","0.1368","","","","","","1.052","","","","has coordinates","225475","2020-10-21","18:00:00",""
"4515309","16.3125","0.0004","16.3125","0.0004","7.5267","0.0003","90","","90","","120","","1734.51","0.09","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0556","0.0522","","","0.1667","0.1703","","","","","","1.026","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515310","16.2883","0.001","16.2883","0.001","7.4885","0.0007","90","","90","","120","","1720.6","0.2","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.073","0.0616","","","0.1691","0.1805","","","","","","1.091","","","","has coordinates,has disorder","225476","2020-10-21","18:00:00",""
"4515311","16.3316","0.0007","16.3316","0.0007","7.5701","0.0003","90","","90","","120","","1748.6","0.13","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H21 Co N16 -","- C21 H21 Co N16 -","- C42 H42 Co2 N32 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0847","0.0679","","","0.2077","0.2202","","","","","","0.987","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515312","16.302","0.004","16.302","0.004","7.5069","0.0014","90","","90","","120","","1727.7","0.7","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H18 Co N13 O3 -","- C21 H18 Co N13 O3 -","- C42 H36 Co2 N26 O6 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.1078","0.0816","","","0.2346","0.263","","","","","","0.986","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515313","15.9688","0.0008","15.9688","0.0008","6.9541","0.0007","90","","90","","120","","1535.73","0.19","296","2","296","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C21 H12 Co N13 -","- C21 H12 Co N13 -","- C42 H24 Co2 N26 -","2","0.0833333","","Zhang, Jindan; Ouyang, Jun; Ye, Yingxiang; Li, Ziyin; Lin, Quanjie; Chen, Ting; Zhang, Zhangjing; Xiang, Shengchang","Mixed-Valence Cobalt(II/III) Metal-Organic Framework for Ammonia Sensing with Naked-Eye Color Switching.","ACS applied materials & interfaces","2018","10","32","27465","27471","10.1021/acsami.8b07770","","","1.54184","CuKα","","0.0713","0.0651","","","0.1886","0.195","","","","","","1.114","","","","has coordinates","225476","2020-10-21","18:00:00",""
"4515314","32.763","0.0003","32.763","0.0003","32.763","0.0003","90","","90","","90","","35168.3","0.6","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C90 H51 O35 Zr6 -","- C90 H51 O35 Zr6 -","- C720 H408 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0975","0.0639","","","0.1536","0.183","","","","","","0.884","","","","has coordinates","225477","2020-10-21","18:00:00",""
"4515315","32.8463","0.0004","32.8463","0.0004","32.8463","0.0004","90","","90","","90","","35437.2","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O41 Zr6 -","- C93 H54 O41 Zr6 -","- C744 H432 O328 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0655","0.0508","","","0.1189","0.1262","","","","","","0.997","","","","has coordinates","225478","2020-10-21","18:00:00",""
"4515316","32.8831","0.0002","32.8831","0.0002","32.8831","0.0002","90","","90","","90","","35556.4","0.4","173","10","173","10","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C102 H54 O35 Zr6 -","- C102 H54 O35 Zr6 -","- C816 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","","1.54178","CuKα","","0.0561","0.0439","","","0.1105","0.118","","","","","","0.992","","","","has coordinates,has disorder","225479","2020-10-21","18:00:00",""
"4515317","32.9225","0.0009","32.9225","0.0009","32.9225","0.0009","90","","90","","90","","35684.4","1.7","173","0.1","173","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C96 H60 O35 Zr6 -","- C96 H60 O35 Zr6 -","- C768 H480 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.1419","0.0855","","","0.1891","0.2257","","","","","","0.893","","","","has coordinates","225480","2020-10-21","18:00:00",""
"4515318","32.67104","0.00013","32.67104","0.00013","32.67104","0.00013","90","","90","","90","","34873","0.2","100","0.1","100","0.1","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","","","- C93 H54 O35 Zr6 -","- C93 H54 O35 Zr6 -","- C744 H432 O280 Zr48 -","8","0.333333","","Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Lv, Xiu-Liang; Wu, Xue-Qian; Li, Jian-Rong","Tuning Water Sorption in Highly Stable Zr(IV)-Metal-Organic Frameworks through Local Functionalization of Metal Clusters.","ACS applied materials & interfaces","2018","10","33","27868","27874","10.1021/acsami.8b09333","","x-ray","1.54184","CuKα","","0.0376","0.0342","","","0.1006","0.103","","","","","","1.091","","","","has coordinates","225481","2020-10-21","18:00:00",""
"4515319","9.483","0.004","10.421","0.005","12.108","0.005","103.732","0.005","91.115","0.005","93.432","0.005","1159.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H0 N7 O7 Zn -","- C22 H16 N7 O6 Zn -","- C44 H32 N14 O12 Zn2 -","2","1","","Wang, Ani; Fan, Ruiqing; Pi, Xinxin; Zhou, Yuze; Chen, Guangyu; Chen, Wei; Yang, Yulin","Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption Sorbents.","ACS applied materials & interfaces","2018","10","43","37407","37416","10.1021/acsami.8b12739","","","0.71073","MoKα","","0.1648","0.0811","","","0.1603","0.1999","","","","","","1","","","","has coordinates,has disorder","225482","2020-10-21","18:00:00",""
"4515320","9.0117","0.0018","9.5162","0.0019","12.398","0.003","82.29","0.03","80.04","0.03","63.7","0.03","936.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 N6 O6 Zn -","- C19 H12 N6 O6 Zn -","- C38 H24 N12 O12 Zn2 -","2","1","","Wang, Ani; Fan, Ruiqing; Pi, Xinxin; Zhou, Yuze; Chen, Guangyu; Chen, Wei; Yang, Yulin","Nitrogen-Doped Microporous Carbons Derived from Pyridine Ligand-Based Metal-Organic Complexes as High-Performance SO<sub>2</sub> Adsorption Sorbents.","ACS applied materials & interfaces","2018","10","43","37407","37416","10.1021/acsami.8b12739","","","0.71073","MoKα","","0.0545","0.0452","","","0.1274","0.1352","","","","","","1.025","","","","has coordinates","225483","2020-10-21","18:00:00",""
"4515321","15.515","0.003","16.214","0.003","23.466","0.005","90.73","0.03","97.26","0.03","100.57","0.03","5753","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H57 Cu2 N8 O53 P W12 -","- C68 H57 Cu2 N8 O53 P W12 -","- C136 H114 Cu4 N16 O106 P2 W24 -","2","1","","Sun, Xiaojuan; Zhang, Jie; Fu, Zhiyong","Polyoxometalate Cluster Sensitized with Copper-Viologen Framework for Efficient Degradation of Organic Dye in Ultraviolet, Visible, and Near-Infrared Light.","ACS applied materials & interfaces","2018","10","42","35671","35675","10.1021/acsami.8b10777","","","0.71073","MoKα","","0.0685","0.0552","","","0.1539","0.163","","","","","","1.056","","","","has coordinates,has disorder","225484","2020-10-21","18:00:00",""
"4515322","13.9659","0.0005","19.2044","0.0007","19.2173","0.0008","90","","90","","90","","5154.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H25 Cd N5 O5 -","- C25 H25 Cd N5 O5 -","- C200 H200 Cd8 N40 O40 -","8","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","x-ray","0.71073","MoKα","","0.0598","0.0396","","","0.0922","0.1054","","","","","","1.075","","","","has coordinates","225485","2020-10-21","18:00:00",""
"4515323","9.9663","0.0005","16.9221","0.001","15.1938","0.0008","90","","92.308","0.004","90","","2560.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N5 O5 -","- C25 H25 Co N5 O5 -","- C100 H100 Co4 N20 O20 -","4","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","x-ray","0.71073","MoKα","","0.0817","0.0515","","","0.143","0.1598","","","","","","1.048","","","","has coordinates","225486","2020-10-21","18:00:00",""
"4515324","9.9194","0.0007","16.8045","0.0011","14.9034","0.001","90","","90.627","0.002","90","","2484.1","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N5 O5 Zn -","- C25 H25 N5 O5 Zn -","- C100 H100 N20 O20 Zn4 -","4","1","","Rouhani, Farzaneh; Morsali, Ali; Retailleau, Pascal","Simple One-Pot Preparation of a Rapid Response AIE Fluorescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","42","36259","36266","10.1021/acsami.8b12404","","","0.71073","MoKα","","0.0859","0.0554","","","0.1057","0.1151","","","","","","1.071","","","","has coordinates","225487","2020-10-21","18:00:00",""
"4515325","6.8859","0.00011","20.0624","0.0004","16.6453","0.0004","90","","90","","90","","2299.51","0.08","100","","100","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C25 H20 Ca N O6 -","- C22 H11 Ca O5 -","- C88 H44 Ca4 O20 -","4","0.5","","Gładysiak, Andrzej; Deeg, Kathryn S.; Dovgaliuk, Iurii; Chidambaram, Arunraj; Ordiz, Kaili; Boyd, Peter G.; Moosavi, Seyed Mohamad; Ongari, Daniele; Navarro, Jorge A. R.; Smit, Berend; Stylianou, Kyriakos C.","Biporous Metal-Organic Framework with Tunable CO<sub>2</sub>/CH<sub>4</sub> Separation Performance Facilitated by Intrinsic Flexibility.","ACS applied materials & interfaces","2018","10","42","36144","36156","10.1021/acsami.8b13362","","x-ray","0.7153","","","0.1053","0.1024","","","0.3739","0.3805","","","","","","1.916","","","","has coordinates,has disorder","225488","2020-10-21","18:00:00",""
"4515326","31.7493","0.0007","31.7493","0.0007","31.7493","0.0007","90","","90","","90","","32003.9","1.2","100","2","100","2","","","","","","","","6","F 4 3 2","F 4 2 3","209","","","","- C22 H16 N2 Ni O7.33 Zr -","- C22 H16 N2 Ni O7.33333 Zr -","- C264 H192 N24 Ni12 O88 Zr12 -","12","0.125","","Li, Jiawei; Ren, Yanwei; Yue, Chenglong; Fan, Yamei; Qi, Chaorong; Jiang, Huanfeng","Highly Stable Chiral Zirconium-Metallosalen Frameworks for CO<sub>2</sub> Conversion and Asymmetric C-H Azidation.","ACS applied materials & interfaces","2018","10","42","36047","36057","10.1021/acsami.8b14118","","","1.54178","CuKα","","0.1799","0.1486","","","0.3643","0.4138","","","","","","1.104","","","","has coordinates","225489","2020-10-21","18:00:00",""
"4515327","10.2355","0.0011","10.7317","0.0006","16.566","0.002","72.138","0.011","85.734","0.013","63.542","0.009","1546.4","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C39.5 H28 N6 O2 -","- C39.5 H28 N6 O2 -","- C79 H56 N12 O4 -","2","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.1246","0.0657","","","0.1495","0.1737","","","","","","0.938","","","","has coordinates,has disorder","225490","2020-10-21","18:00:00",""
"4515328","9.9371","0.0009","10.2665","0.0016","16.5131","0.0017","85.4896","0.001","89.831","0.005","87.493","0.007","1677.8","0.3","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 N6 O2 -","- C46 H28 N6 O2 -","- C92 H56 N12 O4 -","2","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","1.54187","CuKα","","0.0344","0.0321","","","0.0879","0.0952","","","","","","1.118","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515329","11.6951","0.0015","28.18","0.004","12.5595","0.0015","90","","92.78","0.003","90","","4134.3","0.9","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H29 F6 N7 O2 -","- C50 H29 F6 N7 O2 -","- C200 H116 F24 N28 O8 -","4","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","1.54187","CuKα","","0.1001","0.0992","","","0.2638","0.2669","","","","","","1.314","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515330","11.8448","0.0012","29.173","0.003","11.9495","0.0011","90","","90.236","0.003","90","","4129.1","0.7","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 Cl2 N6 O4 -","- C49 H34 Cl2 N6 O4 -","- C196 H136 Cl8 N24 O16 -","4","1","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.0731","0.0499","","","0.1187","0.135","","","","","","1.042","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515331","12.1174","0.0014","13.7328","0.0017","15.3198","0.0018","93.826","0.002","96.58","0.003","105.291","0.003","2430.3","0.5","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","2","","Wong, Michael Y.; Krotkus, Simonas; Copley, Graeme; Li, Wenbo; Murawski, Caroline; Hall, David; Hedley, Gordon J.; Jaricot, Marie; Cordes, David B.; Slawin, Alexandra M. Z.; Olivier, Yoann; Beljonne, David; Muccioli, Luca; Moral, Monica; Sancho-Garcia, Juan-Carlos; Gather, Malte C.; Samuel, Ifor D. W.; Zysman-Colman, Eli","Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2018","10","39","33360","33372","10.1021/acsami.8b11136","","","0.71075","MoKα","","0.073","0.0422","","","0.0961","0.1049","","","","","","0.856","","","","has coordinates","225490","2020-10-21","18:00:00",""
"4515332","12.6102","0.0011","6.9212","0.0006","25.7217","0.0018","90","","92.22","0.007","90","","2243.2","0.3","106.1","","106.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17.49 F4 N O5.25 -","- C25 H17.492 F4 N O5.246 -","- C100 H69.968 F16 N4 O20.984 -","4","1","","Li, Shuzhen; Yan, Dongpeng","Tuning Light-Driven Motion and Bending in Macroscale-Flexible Molecular Crystals Based on a Cocrystal Approach.","ACS applied materials & interfaces","2018","10","26","22703","22710","10.1021/acsami.8b05804","","","0.7107","MoKα","","0.1033","0.0616","","","0.1203","0.1414","","","","","","1.022","","","","has coordinates,has disorder","225491","2020-10-21","18:00:00",""
"4515333","6.8678","0.0018","10.957","0.003","13.449","0.003","68.954","0.003","89.176","0.004","84.453","0.004","939.9","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 F2 N O3 -","- C22 H18 F2 N O3 -","- C44 H36 F4 N2 O6 -","2","1","","Li, Shuzhen; Yan, Dongpeng","Tuning Light-Driven Motion and Bending in Macroscale-Flexible Molecular Crystals Based on a Cocrystal Approach.","ACS applied materials & interfaces","2018","10","26","22703","22710","10.1021/acsami.8b05804","","","0.71073","MoKα","","0.088","0.0766","","","0.1923","0.2164","","","","","","1.0619","","","","has coordinates","225492","2020-10-21","18:00:00",""
"4515334","5.664","0.003","26.555","0.013","8.771","0.004","90","","108.634","0.008","90","","1250.1","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O6 Zn -","- C13 H9 N O6 Zn -","- C52 H36 N4 O24 Zn4 -","4","1","","Xing, Kai; Fan, Ruiqing; Wang, Fengyou; Nie, Huan; Du, Xi; Gai, Shuang; Wang, Ping; Yang, Yulin","Dual-Stimulus-Triggered Programmable Drug Release and Luminescent Ratiometric pH Sensing from Chemically Stable Biocompatible Zinc Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","26","22746","22756","10.1021/acsami.8b06270","","","0.71073","MoKα","","0.0585","0.0362","","","0.0951","0.1147","","","","","","1.106","","","","has coordinates","225493","2020-10-21","18:00:00",""
"4515335","7.7284","0.001","20.283","0.003","7.9561","0.001","90","","91.9","","90","","1246.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N O5 Zn -","- C13 H7 N O5 Zn -","- C52 H28 N4 O20 Zn4 -","4","1","","Xing, Kai; Fan, Ruiqing; Wang, Fengyou; Nie, Huan; Du, Xi; Gai, Shuang; Wang, Ping; Yang, Yulin","Dual-Stimulus-Triggered Programmable Drug Release and Luminescent Ratiometric pH Sensing from Chemically Stable Biocompatible Zinc Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","26","22746","22756","10.1021/acsami.8b06270","","","0.71073","MoKα","","0.0766","0.0477","","","0.1301","0.1506","","","","","","1.012","","","","has coordinates","225493","2020-10-21","18:00:00",""
"4515336","24.3106","0.0004","9.911","0.0002","24.9818","0.0005","90","","116.156","0.001","90","","5402.79","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H25 F4 N5 Pt -","- C32 H25 F4 N5 Pt -","- C256 H200 F32 N40 Pt8 -","8","1","","Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.","Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.","ACS applied materials & interfaces","2018","10","26","22460","22473","10.1021/acsami.8b03528","","","0.71073","MoKα","","0.045","0.0325","","","0.0831","0.0932","","","","","","1.055","","","","has coordinates,has disorder","225494","2020-10-21","18:00:00",""
"4515337","10.9326","0.0002","11.3868","0.0002","12.5978","0.0002","67.259","0.001","87.877","0.001","72.964","0.001","1377.71","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 F4 N3 Pt -","- C34 H27 F4 N3 Pt -","- C68 H54 F8 N6 Pt2 -","2","1","","Wilde, Sebastian; Ma, Dongxin; Koch, Tobias; Bakker, Anne; Gonzalez-Abradelo, Dario; Stegemann, Linda; Daniliuc, Constantin G.; Fuchs, Harald; Gao, Hongying; Doltsinis, Nikos L.; Duan, Lian; Strassert, Cristian A.","Toward Tunable Electroluminescent Devices by Correlating Function and Submolecular Structure in 3D Crystals, 2D-Confined Monolayers, and Dimers.","ACS applied materials & interfaces","2018","10","26","22460","22473","10.1021/acsami.8b03528","","","0.71073","MoKα","","0.0242","0.0238","","","0.0614","0.0619","","","","","","1.06","","","","has coordinates","225495","2020-10-21","18:00:00",""
"4515338","13.186","0.005","16.978","0.007","18.115","0.007","90","","98.701","0.013","90","","4009","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl4 N6 O11 Ru -","- C36 H22 Cl4 N6 O8 Ru -","- C144 H88 Cl16 N24 O32 Ru4 -","4","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.1344","0.0758","","","0.202","0.2369","","","","","","1.038","","","","has coordinates","225496","2020-10-21","18:00:00",""
"4515339","10.3355","0.0006","13.5878","0.0008","17.3077","0.001","94.893","0.005","72.856","0.005","105.008","0.005","2243.3","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H29 Cl5 F12 N6 O P2 Ru -","- C40 H29 Cl5 F12 N6 O P2 Ru -","- C80 H58 Cl10 F24 N12 O2 P4 Ru2 -","2","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.094","0.073","","","0.1986","0.2222","","","","","","1.074","","","","has coordinates","225497","2020-10-21","18:00:00",""
"4515340","10.9782","0.0005","12.0018","0.0005","15.2183","0.0007","90.293","0.004","100.209","0.004","100.61","0.004","1938.17","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H27 Cl4 N7 O9 Ru -","- C38 H25 Cl4 N7 O9 Ru -","- C76 H50 Cl8 N14 O18 Ru2 -","2","1","","Sheet, Sanjoy Kumar; Sen, Bhaskar; Patra, Sumit Kumar; Rabha, Monosh; Aguan, Kripamoy; Khatua, Snehadrinarayan","Aggregation-Induced Emission-Active Ruthenium(II) Complex of 4,7-Dichloro Phenanthroline for Selective Luminescent Detection and Ribosomal RNA Imaging.","ACS applied materials & interfaces","2018","10","17","14356","14366","10.1021/acsami.7b19290","","","0.71073","MoKα","","0.0912","0.0728","","","0.2082","0.2259","","","","","","1.061","","","","has coordinates","225498","2020-10-21","18:00:00",""
"4515341","38.926","0.003","38.926","0.003","16.8351","0.0016","90","","90","","120","","22092","3","100","2","100","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","NU1000-NDC","","- C100 O38 Zr6 -","- C100 O38 Zr6 -","- C300 O114 Zr18 -","3","0.125","","Peters, Aaron W.; Otake, Kenichi; Platero-Prats, Ana E; Li, Zhanyong; DeStefano, Matthew R.; Chapman, Karena W.; Farha, Omar K.; Hupp, Joseph T.","Site-Directed Synthesis of Cobalt Oxide Clusters in a Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","17","15073","15078","10.1021/acsami.8b02825","","","1.54178","CuKα","","0.1436","0.1246","","","0.3267","0.3424","","","","","","1.253","","","","has coordinates,has disorder","225499","2020-10-21","18:00:00",""
"4515342","16.3738","0.0006","16.3738","0.0006","56.467","0.003","90","","90","","120","","13110.7","1","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C33 H39 N6 O12 Tb -","- C33 H39 N6 O12 Tb -","- C396 H468 N72 O144 Tb12 -","12","0.333333","","She, Wei; Qi, Tianqinji; Cui, Mengxing; Yan, Pengfei; Ng, Seik Weng; Li, Weizuo; Li, Guangming","High Catalytic Performance of a CeO<sub>2</sub>-Supported Ni Catalyst for Hydrogenation of Nitroarenes, Fabricated via Coordination-Assisted Strategy.","ACS applied materials & interfaces","2018","10","17","14698","14707","10.1021/acsami.8b01187","","","0.71073","MoKα","","0.0734","0.0492","","","0.126","0.1436","","","","","","1.058","","","","has coordinates","225500","2020-10-21","18:00:00",""
"4515343","9.8827","0.0012","17.0042","0.0016","16.199","0.003","90","","116.91","0.011","90","","2427.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B N2 -","- C31 H29 B N2 -","- C124 H116 B4 N8 -","4","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","","1.54184","CuKα","","0.0913","0.0529","","","0.1223","0.1534","","","","","","1.045","","","","has coordinates","225501","2020-10-21","18:00:00",""
"4515344","13.0339","0.0004","13.4005","0.0005","13.5218","0.0004","94.479","0.003","116.844","0.003","91.441","0.003","2095.94","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H45 B F2 N4 -","- C55 H45 B F2 N4 -","- C110 H90 B2 F4 N8 -","2","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","x-ray","1.54184","CuKα","","0.0401","0.0349","","","0.0884","0.0911","","","","","","1.049","","","","has coordinates","225502","2020-10-21","18:00:00",""
"4515345","18.7316","0.0012","13.9317","0.0009","24.149","0.002","90","","125.672","0.005","90","","5119.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H55 B N4 -","- C67 H55 B N4 -","- C268 H220 B4 N16 -","4","1","","Gao, Hongcheng; Gao, Yu; Wang, Cong; Hu, Dehua; Xie, Zengqi; Liu, Linlin; Yang, Bing; Ma, Yuguang","Anomalous Effect of Intramolecular Charge Transfer on the Light Emitting Properties of BODIPY.","ACS applied materials & interfaces","2018","10","17","14956","14965","10.1021/acsami.7b13444","","","1.54184","CuKα","","0.1618","0.083","","","0.2198","0.2889","","","","","","1.028","","","","has coordinates","225503","2020-10-21","18:00:00",""
"4515346","10.494","0.018","10.31","0.018","22.35","0.04","90","","92.853","0.018","90","","2415","7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Co N2 O7 -","- C21 H19 Co N2 O7 -","- C84 H76 Co4 N8 O28 -","4","1","","Zhao, Xi; Xu, Haitao; Wang, XiaoXiao; Zheng, Zhizhong; Xu, Zhenliang; Ge, Jianping","Monodisperse Metal-Organic Framework Nanospheres with Encapsulated Core-Shell Nanoparticles Pt/Au@Pd@{Co<sub>2</sub>(oba)<sub>4</sub>(3-bpdh)<sub>2</sub>}4H<sub>2</sub>O for the Highly Selective Conversion of CO<sub>2</sub> to CO.","ACS applied materials & interfaces","2018","10","17","15096","15103","10.1021/acsami.8b03561","","","0.71073","MoKα","","0.0629","0.0551","","","0.1767","0.186","","","","","","1.143","","","","has coordinates","225504","2020-10-21","18:00:00",""
"4515347","16.8016","0.0018","16.8016","0.0018","25.828","0.005","90","","90","","120","","6314.3","1.6","113","","113","","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C31 H20 N2 O4 Zn -","- C31 H20 N2 O4 Zn -","- C186 H120 N12 O24 Zn6 -","6","0.5","","Zhao, Xiaoyu; Song, Xiaoyu; Li, Yang; Chang, Ze; Chen, Long","Targeted Construction of Light-Harvesting Metal-Organic Frameworks Featuring Efficient Host-Guest Energy Transfer.","ACS applied materials & interfaces","2018","10","6","5633","5640","10.1021/acsami.7b17755","","","0.71073","MoKα","","0.1181","0.0824","","","0.2253","0.2472","","","","","","1.033","","","","has coordinates","225505","2020-10-21","18:00:00",""
"4515348","13.3568","0.0006","14.3874","0.0006","21.6632","0.001","96.218","0.003","100.058","0.003","107.835","0.003","3843.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H40.8 F18 Fe3 N2 O16.4 -","- C57 H25 F18 Fe3 N2 O16 -","- C114 H50 F36 Fe6 N4 O32 -","2","1","","Lv, Daofei; Wang, Hao; Chen, Yongwei; Xu, Feng; Shi, Renfeng; Liu, Zewei; Wang, Xinlong; Teat, Simon J.; Xia, Qibin; Li, Zhong; Li, Jing","Iron-Based Metal-Organic Framework with Hydrophobic Quadrilateral Channels for Highly Selective Separation of Hexane Isomers.","ACS applied materials & interfaces","2018","10","6","6031","6038","10.1021/acsami.7b18620","","","0.7749","synchrotron","","0.0935","0.0656","","","0.1578","0.1725","","","","","","1.035","","","","has coordinates,has disorder","225506","2020-10-21","18:00:00",""
"4515349","23.3072","0.0003","23.3072","0.0003","21.8206","0.0009","90","","90","","120","","10265.4","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C42 H21 N3 O16 Zr3 -","- C42 H21 N3 O16 Zr3 -","- C168 H84 N12 O64 Zr12 -","4","0.333333","","He, Tao; Zhang, Yong-Zheng; Kong, Xiang-Jing; Yu, Jiamei; Lv, Xiu-Liang; Wu, Yufeng; Guo, Zhen-Ji; Li, Jian-Rong","Zr(IV)-Based Metal-Organic Framework with T-Shaped Ligand: Unique Structure, High Stability, Selective Detection, and Rapid Adsorption of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in Water.","ACS applied materials & interfaces","2018","10","19","16650","16659","10.1021/acsami.8b03987","","x-ray","1.54184","CuKα","","0.0818","0.0703","","","0.1909","0.2088","","","","","","0.829","","","","has coordinates","225507","2020-10-21","18:00:00",""
"4515350","13.075","0.0009","13.075","","8.3362","0.0008","90","","90","","90","","1425.12","0.17","200","","200","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C22.62 H16 Cu F6 N8 O5.25 Si -","- C22.624 H16 Cu F6 N8 O5.248 Si -","- C45.248 H32 Cu2 F12 N16 O10.496 Si2 -","2","0.125","","Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin","Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity.","ACS applied materials & interfaces","2018","10","19","16628","16635","10.1021/acsami.8b03358","powder diffraction","neutron","2.0775","","","","","","","","","0.0953","","1.34","","","","","","","has coordinates","225508","2020-10-21","18:00:00",""
"4515351","19.2684","0.0008","19.2684","0.0008","19.2684","0.0008","90","","90","","90","","7153.8","0.5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- Ge4 K6 O4 S13 Zn4 -","- Ge4 K6 O4 S13 Zn4 -","- Ge32 K48 O32 S104 Zn32 -","8","0.0416667","","Zhang, Yingying; Wang, Xiang; Hu, Dandan; Xue, Chaozhuang; Wang, Wei; Yang, Huajun; Li, Dongsheng; Wu, Tao","Monodisperse Ultrasmall Manganese-Doped Multimetallic Oxysulfide Nanoparticles as Highly Efficient Oxygen Reduction Electrocatalyst.","ACS applied materials & interfaces","2018","10","16","13413","13424","10.1021/acsami.7b19498","","","0.71073","MoKα","","0.0571","0.0437","","","0.1331","0.1479","","","","","","0.731","","","","has coordinates","269108","2021-09-13","08:22:43",""
"4515352","12.2656","0.0005","7.3671","0.0003","23.1538","0.0009","90","","103.053","0.004","90","","2038.16","0.15","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 I N O S -","- C21 H19 I N2 O S -","- C84 H76 I4 N8 O4 S4 -","4","1","","Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan","Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis.","ACS applied materials & interfaces","2018","10","16","13264","13273","10.1021/acsami.7b12521","","","1.54178","CuKα","","0.0674","0.0585","","","0.1538","0.1644","","","","","","1.013","","","","has coordinates","225510","2020-10-21","18:00:00",""
"4515353","5.5892","0.0003","17.067","0.0008","17.5688","0.0012","90","","99.61","0.007","90","","1652.39","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 I N2 S -","- C18 H15 I N2 S -","- C72 H60 I4 N8 S4 -","4","1","","Chao, Xi-Juan; Wang, Kang-Nan; Sun, Li-Li; Cao, Qian; Ke, Zhuo-Feng; Cao, Du-Xia; Mao, Zong-Wan","Cationic Organochalcogen with Monomer/Excimer Emissions for Dual-Color Live Cell Imaging and Cell Damage Diagnosis.","ACS applied materials & interfaces","2018","10","16","13264","13273","10.1021/acsami.7b12521","","","1.54178","CuKα","","0.0886","0.0817","","","0.205","0.2154","","","","","","1.4","","","","has coordinates","225511","2020-10-21","18:00:00",""
"4515354","18.7938","0.0011","18.7938","0.0011","15.7286","0.0013","90","","90","","120","","4811.2","0.6","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","- C156 H108 Co9 N18 O92 P2 W18 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71073","MoKα","","0.079","0.0644","","","0.2487","0.2663","","","","","","1.078","","","","has coordinates","225512","2020-10-21","18:00:00",""
"4515355","18.834","0.005","18.834","0.005","15.722","0.005","90","","90","","120","","4830","2","293","2","293","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","- C156 H108 N18 O92 P2 W18 Zn9 -","1","0.0833333","","Sun, Wenlong; An, Bowen; Qi, Bo; Liu, Tao; Jin, Meng; Duan, Chunying","Dual-Excitation Polyoxometalate-Based Frameworks for One-Pot Light-Driven Hydrogen Evolution and Oxidative Dehydrogenation.","ACS applied materials & interfaces","2018","10","16","13462","13469","10.1021/acsami.8b00350","","","0.71069","MoKα","","0.0803","0.0666","","","0.1866","0.2108","","","","","","0.976","","","","has coordinates","225513","2020-10-21","18:00:00",""
"4515356","9.7474","0.0007","14.0225","0.001","14.4404","0.001","82.882","0.002","78.862","0.002","78.824","0.002","1892.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Eu2 N2 O14 -","- C43 H33 Eu2 N2 O14 -","- C86 H66 Eu4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0718","0.0502","","","0.1336","0.1464","","","","","","1.064","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515357","9.7703","0.0014","14.034","0.002","14.494","0.002","83.269","0.004","78.799","0.004","78.104","0.004","1901.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Gd2 N2 O14 -","- C43 H33 Gd2 N2 O14 -","- C86 H66 Gd4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.094","0.0479","","","0.1111","0.1302","","","","","","1.068","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515358","9.7384","0.0006","13.9335","0.001","14.4053","0.0009","82.566","0.002","78.618","0.003","78.665","0.002","1870.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 N2 O14 Tb2 -","- C43 H33 N2 O14 Tb2 -","- C86 H66 N4 O28 Tb4 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0666","0.0426","","","0.0936","0.1002","","","","","","1.011","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515359","9.7582","0.0009","13.937","0.0013","14.4239","0.0013","82.563","0.002","78.563","0.002","78.544","0.002","1876.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Dy2 N2 O14 -","- C43 H33 Dy2 N2 O14 -","- C86 H66 Dy4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0441","0.0321","","","0.0784","0.0824","","","","","","1.039","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515360","9.7405","0.0012","13.8929","0.0017","14.4129","0.0018","82.475","0.003","78.623","0.002","78.509","0.003","1865.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Ho2 N2 O14 -","- C43 H33 Ho2 N2 O14 -","- C86 H66 Ho4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.0403","0.0342","","","0.0846","0.0865","","","","","","1.025","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515361","9.7162","0.0015","13.819","0.002","14.386","0.002","82.528","0.004","78.545","0.003","78.474","0.003","1846.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 Er2 N2 O14 -","- C43 H33 Er2 N2 O14 -","- C86 H66 Er4 N4 O28 -","2","1","","Li, Liang; Cheng, Jiahui; Liu, Zhipeng; Song, Lin; You, Yujian; Zhou, Xinhui; Huang, Wei","Ratiometric Luminescent Sensor of Picric Acid Based on the Dual-Emission Mixed-Lanthanide Coordination Polymer.","ACS applied materials & interfaces","2018","10","50","44109","44115","10.1021/acsami.8b13719","","","0.71073","MoKα","","0.047","0.0373","","","0.1061","0.1108","","","","","","1.071","","","","has coordinates","225514","2020-10-21","18:00:00",""
"4515362","59.93","0.002","59.93","0.002","6.7458","0.0002","90","","90","","120","","20982.3","1.2","296","","296","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H36 Cd N2 O15 -","- C34 H26 Cd N2 O10 -","- C612 H468 Cd18 N36 O180 -","18","1","","Yang, Xiao-Dong; Chen, Ming; Zhu, Rui; Zhang, Jie; Chen, Banglin","Robust Nanoporous Supramolecular Network Through Charge-Transfer Interaction.","ACS applied materials & interfaces","2018","10","50","43987","43992","10.1021/acsami.8b14316","","","0.71073","MoKα","","0.0641","0.0394","","","0.0752","0.0852","","","","","","0.953","","","","has coordinates","225515","2020-10-21","18:00:00",""
"4515363","16.95","0.003","42.69","0.009","33.423","0.007","90","","90","","90","","24185","8","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C84 H59 Cd3 N O15 -","- C84 H55 Cd3 N O15 -","- C672 H440 Cd24 N8 O120 -","8","1","","Eom, Sunhwi; Lee, Han Geul; Kang, Dong Won; Kang, Minjung; Kim, Hyojin; Kim, Youngseo; Park, Sungnam; Moon, Dohyun; Hong, Chang Seop","Discriminative Molecular Detection Based on Competitive Absorption by a Luminescent Metal-Organic Framework.","ACS applied materials & interfaces","2018","10","47","40372","40377","10.1021/acsami.8b16926","","","0.7","synchrotron","","0.1091","0.075","","","0.2259","0.2422","","","","","","1.008","","","","has coordinates,has disorder","225516","2020-10-21","18:00:00",""
"4515364","12.0465","0.0016","13.7062","0.0017","15.25","0.002","94.068","0.004","96.317","0.004","105.134","0.004","2402.8","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H18 N4 -","- C32 H18 N4 -","- C128 H72 N16 -","4","2","","Gan, Shifeng; Hu, Shimin; Li, Xiang-Long; Zeng, Jiajie; Zhang, Dongdong; Huang, Tianyu; Luo, Wenwen; Zhao, Zujin; Duan, Lian; Su, Shi-Jian; Tang, Ben Zhong","Heavy Atom Effect of Bromine Significantly Enhances Exciton Utilization of Delayed Fluorescence Luminogens.","ACS applied materials & interfaces","2018","10","20","17327","17334","10.1021/acsami.8b05389","","","0.71073","MoKα","","0.1847","0.0525","","","0.0725","0.0952","","","","","","0.889","","","","has coordinates","225517","2020-10-21","18:00:00",""
"4515365","23.8564","0.0019","12.3699","0.0008","28.581","0.003","90","","114.094","0.002","90","","7699.5","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H16 Br2 N4 -","- C32 H16 Br2 N4 -","- C384 H192 Br24 N48 -","12","3","","Gan, Shifeng; Hu, Shimin; Li, Xiang-Long; Zeng, Jiajie; Zhang, Dongdong; Huang, Tianyu; Luo, Wenwen; Zhao, Zujin; Duan, Lian; Su, Shi-Jian; Tang, Ben Zhong","Heavy Atom Effect of Bromine Significantly Enhances Exciton Utilization of Delayed Fluorescence Luminogens.","ACS applied materials & interfaces","2018","10","20","17327","17334","10.1021/acsami.8b05389","","","0.71073","MoKα","","0.1986","0.0805","","","0.175","0.2275","","","","","","1.084","","","","has coordinates,has disorder","225518","2020-10-21","18:00:00",""
"4515366","9.9725","0.0012","17.532","0.002","22.757","0.003","90","","92.739","0.004","90","","3974.2","0.8","150","2","150.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H51.74 Br8 N6 O Sn -","- C18 H56 Br8 N6 O Sn -","- C72 H224 Br32 N24 O4 Sn4 -","4","0.5","","Fu, Pengfei; Huang, Menglin; Shang, Yuequn; Yu, Na; Zhou, Hao-Long; Zhang, Yue-Biao; Chen, Shiyou; Gong, Jinkang; Ning, Zhijun","Organic-Inorganic Layered and Hollow Tin Bromide Perovskite with Tunable Broadband Emission.","ACS applied materials & interfaces","2018","10","40","34363","34369","10.1021/acsami.8b07673","","","0.71073","MoKα","","0.1153","0.064","","","0.1609","0.1871","","","","","","1.032","","","","has coordinates,has disorder","225519","2020-10-21","18:00:00",""
"4515367","26.693","0.003","26.693","0.003","26.693","0.003","90","","90","","90","","19019","4","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","UiO-67-OMe","","- C1.736 O1.028 S0.107 Zr0.118 -","- C1.73647 O1.02777 S0.107304 Zr0.117647 -","- C354.24 O209.666 S21.8899 Zr24 -","204","1.0625","","Park, Seungjae; Song, Hayoung; Ko, Nakeun; Kim, Changhee; Kim, Kimoon; Lee, Eunsung","SuFEx in Metal-Organic Frameworks: Versatile Postsynthetic Modification Tool.","ACS applied materials & interfaces","2018","10","40","33785","33789","10.1021/acsami.8b14065","","","0.71073","MoKα","","0.0722","0.0661","","","0.2053","0.2148","","","","","","1.0045","","","","has coordinates","225520","2020-10-21","18:00:00",""
"4515368","9.7499","0.0002","18.3486","0.0004","16.6672","0.0004","90","","101.353","0.001","90","","2923.37","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 Cd2 Cl N7 O28 -","- C48 H40 Cd2 Cl N6 O18 -","- C96 H80 Cd4 Cl2 N12 O36 -","2","0.5","","Sui, Qi; Li, Peng; Yang, Ning-Ning; Gong, Teng; Bu, Ran; Gao, En-Qing","Differentiable Detection of Volatile Amines with a Viologen-Derived Metal-Organic Material.","ACS applied materials & interfaces","2018","10","13","11056","11062","10.1021/acsami.8b01314","","","1.54178","CuKα","","0.0653","0.0454","","","0.118","0.1285","","","","","","1.007","","","","has coordinates","225521","2020-10-21","18:00:00",""
"4515369","11.7421","0.0005","5.5672","0.0002","22.7776","0.001","90","","100.076","0.002","90","","1466.02","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca I0.3 O6 S -","- C14 H8 Ca I0.295 O6 S -","- C56 H32 Ca4 I1.18 O24 S4 -","4","1","","Banerjee, Debasis; Chen, Xianyin; Lobanov, Sergey S.; Plonka, Anna M.; Chan, Xiaojun; Daly, John A.; Kim, Taejin; Thallapally, Praveen K.; Parise, John B.","Iodine Adsorption in Metal Organic Frameworks in the Presence of Humidity.","ACS applied materials & interfaces","2018","10","13","10622","10626","10.1021/acsami.8b02651","","","0.71073","MoKα","","0.0845","0.0841","","","0.216","0.2161","","","","","","1.268","","","","has coordinates","225522","2020-10-21","18:00:00",""
"4515370","13.841","0.004","13.841","0.004","47.743","0.014","90","","90","","120","","7921","4","296","2","296","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C18 H10 Ba2 N2 O11 -","- C18 H10 Ba2 N2 O11 -","- C216 H120 Ba24 N24 O132 -","12","1","","Li, Xiu-Yuan; Ma, Li-Na; Liu, Yang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Honeycomb Metal-Organic Framework with Lewis Acidic and Basic Bifunctional Sites: Selective Adsorption and CO<sub>2</sub> Catalytic Fixation.","ACS applied materials & interfaces","2018","10","13","10965","10973","10.1021/acsami.8b01291","","","0.71073","MoKα","","0.0755","0.0661","","","0.1503","0.156","","","","","","1.096","","","","has coordinates","225523","2020-10-21","18:00:00",""
"4515371","8.104","0.0004","4.416","0.0002","27.765","0.0013","90","","95.642","0.0014","90","","988.82","0.08","290","1","290","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N O2 S -","- C12 H7 N O2 S -","- C48 H28 N4 O8 S4 -","4","1","","Song, Inho; Lee, Seung-Chul; Shang, Xiaobo; Ahn, Jaeyong; Jung, Hoon-Joo; Jeong, Chan-Uk; Kim, Sang-Wook; Yoon, Woojin; Yun, Hoseop; Kwon, O-Pil; Oh, Joon Hak","High-Performance Visible-Blind UV Phototransistors Based on n-Type Naphthalene Diimide Nanomaterials.","ACS applied materials & interfaces","2018","10","14","11826","11836","10.1021/acsami.8b01500","","","0.71073","MoKα","","0.0631","0.0377","","","0.0913","0.1093","","","","","","1.05","","","","has coordinates","225524","2020-10-21","18:00:00",""
"4515372","8.35","0.0003","8.606","0.0004","15.326","0.0007","98.552","0.0012","102.733","0.001","92.128","0.0011","1059.51","0.08","290","1","290","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 O4 -","- C28 H18 N2 O4 -","- C56 H36 N4 O8 -","2","1","","Song, Inho; Lee, Seung-Chul; Shang, Xiaobo; Ahn, Jaeyong; Jung, Hoon-Joo; Jeong, Chan-Uk; Kim, Sang-Wook; Yoon, Woojin; Yun, Hoseop; Kwon, O-Pil; Oh, Joon Hak","High-Performance Visible-Blind UV Phototransistors Based on n-Type Naphthalene Diimide Nanomaterials.","ACS applied materials & interfaces","2018","10","14","11826","11836","10.1021/acsami.8b01500","","","0.71073","MoKα","","0.0577","0.0355","","","0.1007","0.1235","","","","","","1.096","","","","has coordinates","225525","2020-10-21","18:00:00",""
"4515373","25.4877","0.0008","25.7261","0.0008","25.8744","0.0008","71.2054","0.0018","61.6771","0.0017","61.2609","0.0016","12997.5","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C320 H350 Cu24 N18 O150 -","- C320 H350 Cu24 N18 O150 -","- C320 H350 Cu24 N18 O150 -","1","0.5","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1819","0.1157","","","0.3115","0.3683","","","","","","1.037","","","","has coordinates,has disorder","225526","2020-10-21","18:00:00",""
"4515374","18.948","0.007","18.948","0.007","10.669","0.004","90","","90","","90","","3830","2","200","2","200","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C24 H24 Cu2 O12 -","- C24 H24 Cu2 O12 -","- C96 H96 Cu8 O48 -","4","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.124","0.0863","","","0.2058","0.2338","","","","","","1.042","","","","has coordinates,has disorder","225527","2020-10-21","18:00:00",""
"4515375","26.777","0.0006","26.777","0.0006","18.7751","0.0006","90","","90","","90","","13461.9","0.6","293","2","293","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C18.5 H7 Cu2 O12 -","- C18.5 H7 Cu2 O12 -","- C296 H112 Cu32 O192 -","16","2","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1418","0.1291","","","0.3419","0.3679","","","","","","1.634","","","","has coordinates","225528","2020-10-21","18:00:00",""
"4515376","18.6055","0.0011","18.6055","0.0011","6.9528","0.0004","90","","90","","120","","2084.4","0.2","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C22 H20 Cu2 O12 -","- C22 H20 Cu2 O12 -","- C66 H60 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.042","0.0348","","","0.0958","0.0999","","","","","","1.064","","","","has coordinates,has disorder","225529","2020-10-21","18:00:00",""
"4515377","29.119","0.002","29.119","0.002","40.949","0.004","90","","90","","90","","34721","5","200","2","200","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C192 H72 Cu24 O142 -","- C192 H72 Cu24 O142 -","- C384 H144 Cu48 O284 -","2","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1303","0.0925","","","0.2691","0.3157","","","","","","1.061","","","","has coordinates","225530","2020-10-21","18:00:00",""
"4515378","23.5934","0.0015","23.6713","0.0017","23.9591","0.0016","106.65","0.005","97.08","0.005","113.638","0.005","11303.6","1.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C268 H248 Cu24 N10 O144 -","- C268 H248 Cu24 N10 O144 -","- C268 H248 Cu24 N10 O144 -","1","0.5","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1507","0.1097","","","0.3157","0.3433","","","","","","1.074","","","","has coordinates","225531","2020-10-21","18:00:00",""
"4515379","18.767","0.004","18.767","0.004","7.015","0.002","90","0.03","90","0.03","120","0.03","2139.7","1.1","199","2","199","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C20 H16 Cu2 O12 -","- C20 H16 Cu2 O12 -","- C60 H48 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","0.71073","MoKα","","0.0656","0.0456","","","0.1178","0.1271","","","","","","1.077","","","","has coordinates,has disorder","225532","2020-10-21","18:00:00",""
"4515380","15.8733","0.0003","18.3788","0.0004","32.3346","0.0007","90","","93.2461","0.0012","90","","9417.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23.67 H22 Cu2 O12 -","- C23.6667 H22 Cu2 O12 -","- C284 H264 Cu24 O144 -","12","3","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.099","0.0757","","","0.2149","0.2408","","","","","","1.027","","","","has coordinates,has disorder","225533","2020-10-21","18:00:00",""
"4515381","18.4598","0.0007","18.4598","0.0007","8.9338","0.0004","90","","90","","120","","2636.46","0.18","200","2","200","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- C24 H10 Cu2 O12 -","- C24 H10 Cu2 O12 -","- C72 H30 Cu6 O36 -","3","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.0926","0.0838","","","0.256","0.2779","","","","","","1.037","","","","has coordinates,has disorder","225534","2020-10-21","18:00:00",""
"4515382","27.4404","0.0005","27.4404","0.0005","119.124","0.003","90","","90","","120","","77680","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C258 H192 Cu24 N12 O144 -","- C258 H192 Cu24 N12 O144 -","- C1548 H1152 Cu144 N72 O864 -","6","0.166667","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1624","0.1115","","","0.2753","0.343","","","","","","1.01","","","","has coordinates","225535","2020-10-21","18:00:00",""
"4515383","8.5676","0.0006","7.0454","0.0004","30.713","0.002","90","","90","","90","","1853.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C104 H56 N8 O16 -","4","0.5","","Xu, Haixiao; Zhou, Yecheng; Zhang, Jing; Jin, Jianqun; Liu, Guangfeng; Li, Yongxin; Ganguly, Rakesh; Huang, Li; Xu, Wei; Zhu, Daoben; Huang, Wei; Zhang, Qichun","Polymer-Assisted Single Crystal Engineering of Organic Semiconductors To Alter Electron Transport.","ACS applied materials & interfaces","2018","10","14","11837","11842","10.1021/acsami.8b01731","","","0.71073","MoKα","","0.0914","0.0638","","","0.1476","0.1655","","","","","","1.058","","","","has coordinates","225536","2020-10-21","18:00:00",""
"4515384","11.9302","0.0003","8.1807","0.00016","15.6895","0.0003","90","","90","","90","","1531.25","0.06","120.65","0.1","120.65","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Mn O8 -","- C5 H6 Mn O8 -","- C40 H48 Mn8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","","0.71073","MoKα","","0.0344","0.0295","","","0.0705","0.0742","","","","","","1.084","","","","has coordinates","225537","2020-10-21","18:00:00",""
"4515385","11.8335","0.0007","8.098","0.0005","15.4367","0.0008","90","","90","","90","","1479.26","0.15","121.3","0.1","121.3","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H6 Co O8 -","- C5 H6 Co O8 -","- C40 H48 Co8 O64 -","8","1","","Zhang, Lin; Cheng, Fangyi; Shi, Wei; Chen, Jun; Cheng, Peng","Transition-Metal-Triggered High-Efficiency Lithium Ion Storage via Coordination Interactions with Redox-Active Croconate in One-Dimensional Metal-Organic Anode Materials.","ACS applied materials & interfaces","2018","10","7","6398","6406","10.1021/acsami.7b18758","","x-ray","0.71073","MoKα","","0.0615","0.0411","","","0.0851","0.1054","","","","","","1.083","","","","has coordinates","225538","2020-10-21","18:00:00",""
"4515386","8.4123","0.0005","10.5424","0.0005","17.0126","0.0007","77.818","0.004","85.519","0.004","72.94","0.005","1409.7","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 N O2 -","- C39 H31 N O2 -","- C78 H62 N2 O4 -","2","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","","1.54184","CuKα","","0.0537","0.0465","","","0.1225","0.1294","","","","","","1.043","","","","has coordinates","225539","2020-10-21","18:00:00",""
"4515387","18.3481","0.0017","8.1691","0.0008","18.0409","0.0017","90","","103.687","0.009","90","","2627.3","0.4","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 S -","- C32 H27 N O4 S -","- C128 H108 N4 O16 S4 -","4","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","x-ray","0.71073","MoKα","","0.0691","0.0498","","0.1049","0.0856","0.1049","","","","","","0.9842","","","","has coordinates","225540","2020-10-21","18:00:00",""
"4515388","7.086","0.001","8.811","0.001","15.64","0.001","89.596","0.008","84.32","0.009","68.33","0.01","902.55","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Yan, Xibo; Remond, Maxime; Zheng, Zheng; Hoibian, Elsa; Soulage, Christophe; Chambert, Stéphane; Andraud, Chantal; Van der Sanden, Boudewijn; Ganachaud, François; Bretonnière, Yann; Bernard, Julien","General and Scalable Approach to Bright, Stable, and Functional AIE Fluorogen Colloidal Nanocrystals for in Vivo Imaging.","ACS applied materials & interfaces","2018","10","30","25154","25165","10.1021/acsami.8b07859","","","0.7107","MoKα","","0.0856","0.0613","","0.1585","0.1229","0.1585","","","","","","1.0036","","","","has coordinates","225541","2020-10-21","18:00:00",""
"4515389","15.2285","0.0004","40.8194","0.0014","13.2764","0.0005","90","","90","","90","","8252.9","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C11 H8 Cd N6 O4 -","- C11 H8 Cd N6 O4 -","- C176 H128 Cd16 N96 O64 -","16","1","","Das, Prasenjit; Mandal, Sanjay K.","Strategic Design and Functionalization of an Amine-Decorated Luminescent Metal Organic Framework for Selective Gas/Vapor Sorption and Nanomolar Sensing of 2,4,6-Trinitrophenol in Water.","ACS applied materials & interfaces","2018","10","30","25360","25371","10.1021/acsami.8b06339","","","0.71073","MoKα","","0.0238","0.0217","","","0.0487","0.0492","","","","","","1.04","","","","has coordinates","225542","2020-10-21","18:00:00",""
"4515390","10.5418","0.0004","10.6289","0.0004","10.8622","0.0004","117.754","0.002","118.399","0.002","91.783","0.002","896.18","0.07","170","2","169.99","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Cu1.5 N2 O5 -","- C15 H19 Cl2 Cu1.5 N2 O5 -","- C30 H38 Cl4 Cu3 N4 O10 -","2","1","","Kobielska, Paulina A.; Telford, Richard; Rowlandson, Jemma; Tian, Mi; Shahin, Zahraa; Demessence, Aude; Ting, Valeska P.; Nayak, Sanjit","Polynuclear Complexes as Precursor Templates for Hierarchical Microporous Graphitic Carbon: An Unusual Approach.","ACS applied materials & interfaces","2018","10","31","25967","25971","10.1021/acsami.8b10149","","","1.54178","CuKα","","0.0368","0.0352","","","0.092","0.0934","","","","","","1.0765","","","","has coordinates","225543","2020-10-21","18:00:00",""
"4515391","13.859","0.004","7.4399","0.0019","25.933","0.007","90","0.007","97.511","0.008","90","0.008","2651","1.2","100","2","100","2","","","","","","","","6","P 1 a 1","P -2ya","7","","","","- C56 H62 N4 O4 S Si4 -","- C54 H62 N4 O4 S Si4 -","- C108 H124 N8 O8 S2 Si8 -","2","1","","Usuki, Tsukasa; Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Tada, Hirokazu; Kasai, Hidetaka; Nishibori, Eiji; Nishihara, Hiroshi","Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality.","ACS applied materials & interfaces","2018","10","15","12164","12172","10.1021/acsami.7b14802","","","0.8","","","0.2146","0.1783","","","0.4009","0.4407","","","","","","1.896","","","","has coordinates","225544","2020-10-21","18:00:00",""
"4515392","10.2045","0.0002","12.3485","0.0003","19.28","0.0004","90","","97.7152","0.0009","90","","2407.49","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B N O -","- C30 H30 B N O -","- C120 H120 B4 N4 O4 -","4","1","","Chen, Deng-Gao; Lin, Tzu-Chieh; Chen, Chi-Lin; Chen, Yi-Ting; Chen, Yi-An; Lee, Gene-Hsiang; Chou, Pi-Tai; Liao, Chia-Wei; Chiu, Po-Chen; Chang, Chih-Hao; Lien, Yi-Jyun; Chi, Yun","Optically Triggered Planarization of Boryl-Substituted Phenoxazine: Another Horizon of TADF Molecules and High-Performance OLEDs.","ACS applied materials & interfaces","2018","10","15","12886","12896","10.1021/acsami.8b00053","","","1.54178","CuKα","","0.0582","0.0486","","","0.1237","0.131","","","","","","1.029","","","","has coordinates","225545","2020-10-21","18:00:00",""
"4515393","13.1953","0.0002","13.2886","0.0002","16.2248","0.0003","90","","103.28","0.0005","90","","2768.9","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N O -","- C36 H34 B N O -","- C144 H136 B4 N4 O4 -","4","1","","Chen, Deng-Gao; Lin, Tzu-Chieh; Chen, Chi-Lin; Chen, Yi-Ting; Chen, Yi-An; Lee, Gene-Hsiang; Chou, Pi-Tai; Liao, Chia-Wei; Chiu, Po-Chen; Chang, Chih-Hao; Lien, Yi-Jyun; Chi, Yun","Optically Triggered Planarization of Boryl-Substituted Phenoxazine: Another Horizon of TADF Molecules and High-Performance OLEDs.","ACS applied materials & interfaces","2018","10","15","12886","12896","10.1021/acsami.8b00053","","","1.54178","CuKα","","0.0494","0.0441","","","0.1132","0.1178","","","","","","1.032","","","","has coordinates","225546","2020-10-21","18:00:00",""
"4515394","12.7873","0.0003","10.2281","0.0002","32.4829","0.0007","90","","96.682","0.001","90","","4219.57","0.16","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 N2 O4 Si -","- C50 H50 N2 O4 Si -","- C200 H200 N8 O16 Si4 -","4","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","1.54178","CuKα","","0.0431","0.041","","","0.1047","0.1063","","","","","","1.041","","","","has coordinates","225547","2020-10-21","18:00:00",""
"4515395","10.853","0.0002","12.0141","0.0002","30.5957","0.0006","79.5986","0.0009","88.3033","0.0009","81.2214","0.0009","3877.81","0.12","90","0.2","90","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H78 Cl3 N4 O8 Si -","- C91 H78 Cl3 N4 O8 Si -","- C182 H156 Cl6 N8 O16 Si2 -","2","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","0.71073","MoKα","","0.0778","0.0529","","","0.123","0.138","","","","","","1.051","","","","has coordinates,has disorder","225548","2020-10-21","18:00:00",""
"4515396","14.4395","0.0003","13.817","0.0002","18.3269","0.0003","90","","100.609","0.001","90","","3593.91","0.11","90","0.2","90","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C46 H42 N2 Si -","- C46 H42 N2 Si -","- C184 H168 N8 Si4 -","4","1","","Park, So Min; Mazza, Samuel M.; Liang, Zhiming; Abtahi, Ashkan; Boehm, Alex M.; Parkin, Sean R.; Anthony, John E.; Graham, Kenneth R.","Processing Dependent Influence of the Hole Transport Layer Ionization Energy on Methylammonium Lead Iodide Perovskite Photovoltaics.","ACS applied materials & interfaces","2018","10","18","15548","15557","10.1021/acsami.7b16894","","","1.54178","CuKα","","0.0281","0.0279","","","0.0765","0.0767","","","","","","1.048","","","","has coordinates","225549","2020-10-21","18:00:00",""
"4515397","16.929","0.004","16.929","0.004","15.306","0.004","90","","90","","120","","3798.9","1.6","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H24 Co3 N6 O13 -","- C42 H24 Co3 N6 O13 -","- C84 H48 Co6 N12 O26 -","2","0.0833333","","Zhang, Tao; Hu, Yue-Qiao; Han, Tian; Zhai, Yuan-Qi; Zheng, Yan-Zhen","Redox-Active Cobalt(II/III) Metal-Organic Framework for Selective Oxidation of Cyclohexene.","ACS applied materials & interfaces","2018","10","18","15786","15792","10.1021/acsami.7b19323","","","0.71073","MoKα","","0.0386","0.0299","","","0.0799","0.0855","","","","","","1.1","","","","has coordinates","225550","2020-10-21","18:00:00",""
"4515398","32.987","0.007","31.548","0.006","16.376","0.003","90","","107.92","0.03","90","","16215","6","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C124 H92 N30 O18 S3 Zn4 -","- C124 H92 N30 O18 S3 Zn4 -","- C496 H368 N120 O72 S12 Zn16 -","4","0.5","","Fu, Hong-Ru; Wu, Xiao-Xia; Ma, Lu-Fang; Wang, Fei; Zhang, Jian","Dual-Emission SG7@MOF Sensor via SC-SC Transformation: Enhancing the Formation of Excimer Emission and the Range and Sensitivity of Detection.","ACS applied materials & interfaces","2018","10","21","18012","18020","10.1021/acsami.8b05614","","","0.71073","MoKα","","0.0913","0.0754","","","0.2841","0.3012","","","","","","1.294","","","","has coordinates","225551","2020-10-21","18:00:00",""
"4515399","7.3144","0.0003","13.551","0.0004","24.2326","0.0008","90","","96.353","0.004","90","","2387.12","0.15","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 K2 O36 Zn -","- C36 H44 K2 O36 Zn -","- C72 H88 K4 O72 Zn2 -","2","0.5","","Rezaei, Mahsa; Abbasi, Alireza; Dinarvand, Rassoul; Jeddi-Tehrani, Mahmood; Janczak, Jan","Design and Synthesis of a Biocompatible 1D Coordination Polymer as Anti-Breast Cancer Drug Carrier, 5-Fu: In Vitro and in Vivo Studies.","ACS applied materials & interfaces","2018","10","21","17594","17604","10.1021/acsami.8b03111","","","0.71073","MoKα","","0.1644","0.0756","","","0.1277","0.1522","","","","","","1.06","","","","has coordinates","225552","2020-10-21","18:00:00",""
"4515400","10.0146","0.0004","11.1886","0.0006","17.0626","0.0008","90","","100.955","0.005","90","","1877.01","0.16","105.5","","105.5","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Wu, Zhen; Pan, Kai; Mo, Shenzhong; Wang, Bijun; Zhao, Xujie; Yin, Meizhen","Tetraphenylethene-Induced Free Volumes for the Isomerization of Spiropyran toward Multifunctional Materials in the Solid State.","ACS applied materials & interfaces","2018","10","36","30879","30886","10.1021/acsami.8b10322","","","0.71073","MoKα","","0.0487","0.0385","","","0.0925","0.099","","","","","","1.02","","","","has coordinates","225554","2020-10-21","18:00:00",""
"4515401","7.837","0.014","8.864","0.016","13.74","0.02","94.04","0.02","98.79","0.03","101.71","0.02","919","3","168.4","","168.4","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H43.09 Ag B F4 N4 O2 -","- C36 H43.1 Ag B F4 N4 O2 -","- C36 H43.1 Ag B F4 N4 O2 -","1","0.5","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.0974","0.073","","","0.2203","0.2436","","","","","","1.047","","","","has coordinates,has disorder","225555","2020-10-21","18:00:00",""
"4515402","10.597","0.005","11.931","0.005","27.145","0.012","90.52","0.03","90.72","0.03","98.25","0.03","3396","3","120","2","120.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C144 H96 N16 O8 -","8","4","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1421","0.0763","","","0.2251","0.2746","","","","","","1.049","","","","has coordinates,has disorder","225556","2020-10-21","18:00:00",""
"4515403","21.168","0.019","10.192","0.009","36.49","0.03","90","","90","","90","","7873","12","156","2","156.05","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C76 H87 Cu N10 O12 S2 -","- C76 H87 Cu N10 O12 S2 -","- C304 H348 Cu4 N40 O48 S8 -","4","1","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1499","0.0758","","","0.1823","0.2298","","","","","","1.011","","","","has coordinates,has disorder","225557","2020-10-21","18:00:00",""
"4515404","21.03","0.05","39.44","0.1","9.92","0.03","90","","90","","90","","8228","4","120","","120","","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C76 H72 Cu F6 N8 O12 S2 -","- C76 H72 Cu F6 N8 O12 S2 -","- C304 H288 Cu4 F24 N32 O48 S8 -","4","0.25","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.183","0.0926","","","0.2435","0.3167","","","","","","1.077","","","","has coordinates,has disorder","225558","2020-10-21","18:00:00",""
"4515405","7.787","0.006","8.852","0.007","13.61","0.011","94.137","0.01","98.277","0.01","101.433","0.01","905","1.2","120","","120.01","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Ag Cl N4 O6 -","- C36 H42 Ag Cl N4 O6 -","- C36 H42 Ag Cl N4 O6 -","1","0.5","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1389","0.1189","","","0.3313","0.3507","","","","","","1.276","","","","has coordinates,has disorder","225559","2020-10-21","18:00:00",""
"4515406","16.88","0.002","10.011","0.0012","9.7853","0.0013","90","","97.243","0.009","90","","1640.4","0.4","296","2","296.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H17 F N2 O -","- C20 H17 F N2 O -","- C80 H68 F4 N8 O4 -","4","2","","Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi","Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.","ACS applied materials & interfaces","2018","10","36","30649","30661","10.1021/acsami.8b09872","","","0.71073","MoKα","","0.1062","0.0753","","","0.2033","0.2355","","","","","","1.039","","","","has coordinates","225560","2020-10-21","18:00:00",""
"4515407","15.4117","0.0005","15.4117","0.0005","20.0413","0.0006","90","","90","","120","","4122.5","0.2","292.53","0.1","292.53","0.1","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C9 H7 Co N4 O3.33 -","- C9 H7 Co N4 O3.33333 -","- C54 H42 Co6 N24 O20 -","6","0.25","","Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang","Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.","ACS applied materials & interfaces","2018","10","36","30912","30918","10.1021/acsami.8b11999","","x-ray","1.54184","CuKα","","0.0995","0.0898","","","0.2438","0.258","","","","","","1.114","","","","has coordinates,has disorder","225561","2020-10-21","18:00:00",""
"4515408","17.7497","0.0002","17.7497","0.0002","61.8767","0.0017","90","","90","","90","","19494.4","0.6","150","","150","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C27 H21 Co3 N9 O10 -","- C27 H21 Co3 N9 O10 -","- C216 H168 Co24 N72 O80 -","8","0.25","","Ye, Yingxiang; Chen, Shimin; Chen, Liangji; Huang, Jitao; Ma, Zhenlin; Li, Ziyin; Yao, Zizhu; Zhang, Jindan; Zhang, Zhangjing; Xiang, Shengchang","Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures.","ACS applied materials & interfaces","2018","10","36","30912","30918","10.1021/acsami.8b11999","","","1.54184","CuKα","","0.109","0.0878","","","0.2544","0.2732","","","","","","1.033","","","","has coordinates,has disorder","225562","2020-10-21","18:00:00",""
"4515409","26.4359","0.0018","17.7874","0.0011","9.5097","0.0006","90","","90","","90","","4471.7","0.5","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C49 H40 N4 Ni2 O14 -","- C49 H40 N4 Ni2 O14 -","- C196 H160 N16 Ni8 O56 -","4","0.5","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0467","0.0386","","","0.1201","0.131","","","","","","1.029","","","","has coordinates","225563","2020-10-21","18:00:00",""
"4515410","19.4614","0.0007","19.4614","0.0007","9.5493","0.0004","90","","90","","90","","3616.8","0.2","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C73 H48 N4 O20 Zn4 -","- C73 H48 N4 O20 Zn4 -","- C146 H96 N8 O40 Zn8 -","2","0.25","","Chakraborty, Gouri; Das, Prasenjit; Mandal, Sanjay K.","Strategic Construction of Highly Stable Metal-Organic Frameworks Combining Both Semi-Rigid Tetrapodal and Rigid Ditopic Linkers: Selective and Ultrafast Sensing of 4-Nitroaniline in Water.","ACS applied materials & interfaces","2018","10","49","42406","42416","10.1021/acsami.8b15894","","","0.71073","MoKα","","0.0772","0.0616","","","0.1631","0.1802","","","","","","1.079","","","","has coordinates","225564","2020-10-21","18:00:00",""
"4515411","14.37","0.003","23.953","0.005","7.1279","0.0014","90","","91.48","0.03","90","","2452.6","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F3 I3 N2 O2 -","- C19 H12 F3 I3 N2 O2 -","- C76 H48 F12 I12 N8 O8 -","4","1","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.0446","0.0403","","","0.0767","0.0784","","","","","","1.116","","","","has coordinates","225565","2020-10-21","18:00:00",""
"4515412","4.0342","0.0008","19.652","0.004","19.647","0.004","90","","92.444","0.002","90","","1556.2","0.5","173.15","","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 I2 N4 O4 -","- C32 H24 F4 I2 N4 O4 -","- C64 H48 F8 I4 N8 O8 -","2","0.5","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.0367","0.0326","","","0.0601","0.0624","","","","","","1.176","","","","has coordinates","225566","2020-10-21","18:00:00",""
"4515413","36.542","0.016","36.542","0.016","4.623","0.003","90","","90","","120","","5346","5","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C234 H216 N36 O36 -","18","1","","Chu, Manman; Qiu, Bing; Zhang, Wei; Zhou, Zhonghao; Yang, Xinzheng; Yan, Yongli; Yao, Jiannian; Li, Yong Jun; Zhao, Yong Sheng","Tailoring the Energy Levels and Cavity Structures toward Organic Cocrystal Microlasers.","ACS applied materials & interfaces","2018","10","49","42740","42746","10.1021/acsami.8b16294","","","0.71073","MoKα","","0.1193","0.1016","","","0.187","0.1944","","","","","","1.274","","","","has coordinates","225567","2020-10-21","18:00:00",""
"4515414","13.7343","0.0009","14.0755","0.001","21.6401","0.0009","82.37","0.005","89.796","0.004","65.923","0.007","3779.7","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 Mo5 N8 O27 P2 Zn2 -","- C54 H62 Mo5 N8 O27 P2 Zn2 -","- C108 H124 Mo10 N16 O54 P4 Zn4 -","2","1","","Lu, Wei; Cui, Xiaoli; Xu, Xinxin; Chen, Jin; Wang, Qiang","Polyoxometalate Compound-Derived MoP-Based Electrocatalyst with N-Doped Mesoporous Carbon as Matrix, a Cathode Material for Zn-H<sup>+</sup> Battery.","ACS applied materials & interfaces","2018","10","49","42320","42327","10.1021/acsami.8b15380","","","0.71073","MoKα","","0.1842","0.1267","","","0.2877","0.3284","","","","","","1.026","","","","has coordinates","225568","2020-10-21","18:00:00",""
"4515415","8.7429","0.0002","9.2041","0.0002","28.3515","0.0007","90","","91.718","0.002","90","","2280.43","0.09","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C124 H84 N12 -","4","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.0664","0.0453","","","0.1076","0.1226","","","","","","1.022","","","","has coordinates","225569","2020-10-21","18:00:00",""
"4515416","9.1933","0.0009","10.5069","0.0011","12.6008","0.0013","93.697","0.009","110.643","0.009","100.352","0.009","1109.6","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C62 H42 N6 -","2","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.081","0.0481","","","0.1056","0.1257","","","","","","0.992","","","","has coordinates","225570","2020-10-21","18:00:00",""
"4515417","9.793","0.0007","24.0523","0.0014","9.7846","0.0006","90","","102.466","0.005","90","","2250.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 N3 -","- C31 H21 N3 -","- C124 H84 N12 -","4","1","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.0688","0.0474","","","0.1134","0.1269","","","","","","1.006","","","","has coordinates","225571","2020-10-21","18:00:00",""
"4515418","9.122","0.0004","16.7661","0.001","32.4618","0.0016","90","","91.796","0.005","90","","4962.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.25 H24.5 Cl0.5 N3 O0.5 -","- C32.25 H24.5 Cl0.5 N3 O0.5 -","- C258 H196 Cl4 N24 O4 -","8","2","","Chang, Shu-Yun; Lin, Guan-Ting; Cheng, Yu-Chieh; Huang, Jau-Jiun; Chang, Chiou-Ling; Lin, Chi-Feng; Lee, Jiun-Haw; Chiu, Tien-Lung; Leung, Man-Kit","Construction of Highly Efficient Carbazol-9-yl-Substituted Benzimidazole Bipolar Hosts for Blue Phosphorescent Light-Emitting Diodes: Isomer and Device Performance Relationships.","ACS applied materials & interfaces","2018","10","49","42723","42732","10.1021/acsami.8b15084","","","1.54178","CuKα","","0.1526","0.0931","","","0.2198","0.2562","","","","","","1.056","","","","has coordinates,has disorder","225572","2020-10-21","18:00:00",""
"4515419","8.7445","0.0017","13.214","0.003","14.928","0.003","81.44","0.03","78.88","0.03","77.27","0.03","1640.7","0.6","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 B F8 Ir N5 -","- C36 H23 B F8 Ir N5 -","- C72 H46 B2 F16 Ir2 N10 -","2","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.0985","0.0832","","","0.2283","0.2664","","","","","","1.183","","","","has coordinates,has disorder","225573","2020-10-21","18:00:00",""
"4515420","19.05","0.004","19.381","0.004","30.191","0.006","90","","90","","90","","11147","4","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H29 B F20 Ir N5 -","- C64 H29 B F20 Ir N5 -","- C512 H232 B8 F160 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.1972","0.1862","","","0.3867","0.4029","","","","","","1.272","","","","has coordinates","225574","2020-10-21","18:00:00",""
"4515421","11.306","0.002","15.847","0.003","37.356","0.008","90","","90","","90","","6693","2","153","2","153.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H29 B F4 Ir N5 -","- C40 H29 B F4 Ir N5 -","- C320 H232 B8 F32 Ir8 N40 -","8","1","","Ma, Dongxin; Zhang, Chen; Liu, Ruihuan; Qiu, Yong; Duan, Lian","Controlling Ion Distribution for High-Performance Organic Light-Emitting Diodes Based on Sublimable Cationic Iridium(III) Complexes.","ACS applied materials & interfaces","2018","10","35","29814","29823","10.1021/acsami.8b07382","","","0.71073","MoKα","","0.0822","0.0617","","","0.2098","0.2637","","","","","","1.378","","","","has coordinates","225575","2020-10-21","18:00:00",""
"4515422","11.871","0.0009","16.6766","0.0014","21.2198","0.0018","90","","100.389","0.003","90","","4132","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co-POM","","","- Co4 K6 Na4 O94 P2 W18 -","- Co4 K6 Na4 O94 P2 W18 -","- Co8 K12 Na8 O188 P4 W36 -","2","0.5","","Adhikary, Subhasis D.; Tiwari, Aarti; Nagaiah, Tharamani C.; Mandal, Debaprasad","Stabilization of Cobalt-Polyoxometalate over Poly(ionic liquid) Composites for Efficient Electrocatalytic Water Oxidation.","ACS applied materials & interfaces","2018","10","45","38872","38879","10.1021/acsami.8b12592","","","0.71073","MoKα","","0.0466","0.0405","","","0.1017","0.105","","","","","","1.083","","","","has coordinates,has disorder","225576","2020-10-21","18:00:00",""
"4515423","9.513","0.005","15.181","0.008","25.601","0.014","90","","90","","90","","3697","3","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N14 O10 S3 -","- C64 H48 Cd2 N14 O10 S3 -","- C128 H96 Cd4 N28 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.1101","0.0694","","","0.1485","0.1664","","","","","","1.036","","","","has coordinates,has disorder","225577","2020-10-21","18:00:00",""
"4515424","9.5251","0.0006","15.1178","0.0008","25.8099","0.0014","90","","90","","90","","3716.6","0.4","150","2","150","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C64 H48 Cd2 N15 O10 S3 -","- C64 H48 Cd2 N15 O10 S3 -","- C128 H96 Cd4 N30 O20 S6 -","2","0.5","","Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.","Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.","ACS applied materials & interfaces","2018","10","45","39049","39055","10.1021/acsami.8b14420","","","0.71073","MoKα","","0.0696","0.0458","","","0.1007","0.1091","","","","","","1.049","","","","has coordinates,has disorder","225578","2020-10-21","18:00:00",""
"4515425","28.812","0.006","6.612","0.0013","21.508","0.004","90","","107.47","0.03","90","","3908.4","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Cu2 Eu2 N4 O29 -","- C30 H18 Cu2 Eu2 N4 O29 -","- C120 H72 Cu8 Eu8 N16 O116 -","4","0.5","","Zheng, Xubin; Fan, Ruiqing; Song, Yang; Xing, Kai; Wang, Ping; Yang, Yulin","Dual-Emitting Eu(III)-Cu(II) Heterometallic-Organic Framework: Simultaneous, Selective, and Sensitive Detection of Hydrogen Sulfide and Ascorbic Acid in a Wide Range.","ACS applied materials & interfaces","2018","10","38","32698","32706","10.1021/acsami.8b11367","","","0.71073","MoKα","","0.0603","0.0459","","","0.1154","0.1302","","","","","","1.1","","","","has coordinates","225579","2020-10-21","18:00:00",""
"4515426","7.73","0.003","7.8084","0.0013","9.4033","0.0014","108.145","0.012","96.07","0.02","94.06","0.03","533.1","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H14 N4 S4 -","- C24 H14 N4 S4 -","- C24 H14 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","0.1944","0.0832","","","0.2003","0.258","","","","","","0.988","","","","has coordinates","225580","2020-10-21","18:00:00",""
"4515427","7.689","0.005","7.978","0.006","9.302","0.006","101.11","0.06","99.66","0.05","96.12","0.06","546.3","0.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H8 F2 N4 S4 -","- C26 H8 F2 N4 S4 -","- C26 H8 F2 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0521","","","","0.1605","","","","","","1.011","","","","has coordinates","225581","2020-10-21","18:00:00",""
"4515428","7.5661","0.001","7.974","0.0015","9.2855","0.0015","101.154","0.015","99.186","0.013","95.844","0.013","537.47","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H10 N4 S4 -","- C26 H10 N4 S4 -","- C26 H10 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.044","","","","0.1168","","","","","","1.003","","","","has coordinates","225582","2020-10-21","18:00:00",""
"4515429","18.468","0.008","4.39","0.003","14.98","0.006","90","","96.04","0.03","90","","1207.8","1.1","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 S4 -","- C14 H6 S4 -","- C56 H24 S16 -","4","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0464","","","","0.1336","","","","","","1.042","","","","has coordinates","225583","2020-10-21","18:00:00",""
"4515430","7.8417","0.0016","7.8896","0.0014","9.4489","0.0014","98.948","0.014","100.39","0.02","94.36","0.03","564.73","0.18","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H6 F4 N4 S4 -","- C26 H6 F4 N4 S4 -","- C26 H6 F4 N4 S4 -","1","0.5","","Iijima, Kodai; Sanada, Ryo; Yoo, Dongho; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Carrier Charge Polarity in Mixed-Stack Charge-Transfer Crystals Containing Dithienobenzodithiophene.","ACS applied materials & interfaces","2018","10","12","10262","10269","10.1021/acsami.8b00416","","","0.71069","MoKα","","","0.0459","","","","0.132","","","","","","1.009","","","","has coordinates","225584","2020-10-21","18:00:00",""
"4515431","19.6805","0.0019","28.502","0.003","22.41","0.002","90","","112.151","0.003","90","","11643","2","195","2","195","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C170 H152 N8 O16 S4 -","- C170 H152 N8 O16 S4 -","- C340 H304 N16 O32 S8 -","2","0.5","","Wu, Qinghe; Zhao, Donglin; Goldey, Matthew B.; Filatov, Alexander S.; Sharapov, Valerii; Colón, Yamil J; Cai, Zhengxu; Chen, Wei; de Pablo, Juan; Galli, Giulia; Yu, Luping","Intra-molecular Charge Transfer and Electron Delocalization in Non-fullerene Organic Solar Cells.","ACS applied materials & interfaces","2018","10","12","10043","10052","10.1021/acsami.7b18717","","","0.41328","synchrotron","","0.349","0.2508","","","0.5296","0.5976","","","","","","1.068","","","","has coordinates,has disorder","225585","2020-10-21","18:00:00",""
"4515457","11.627","0.002","11.659","0.002","15.889","0.003","85.73","0.03","77.49","0.03","69.54","0.03","1970.1","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","2","","Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen","Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer","ACS Catalysis","2018","9","1","295","","10.1021/acscatal.8b04485","","","0.71073","MoKα","","0.1331","0.0942","","","0.2298","0.2509","","","","","","1.016","","","","has coordinates","225613","2020-10-21","18:00:00",""
"4515458","12.9669","0.0004","13.874","0.0004","12.3572","0.0004","90","","93.057","0.003","90","","2219.93","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br Mn N2 O2 P -","- C25 H19 Br Mn N2 O2 P -","- C100 H76 Br4 Mn4 N8 O8 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","0.71073","MoKα","","0.02","0.0188","","","0.0445","0.0449","","","","","","1.053","","","","has coordinates,has disorder","225614","2020-10-21","18:00:00",""
"4515459","9.7663","0.0001","16.9042","0.0002","16.0896","0.0002","90","","97.951","0.001","90","","2630.72","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Mn N2 O3 P -","- C32 H26 Mn N2 O3 P -","- C128 H104 Mn4 N8 O12 P4 -","4","1","","Das, Uttam Kumar; Ben-David, Yehoshoa; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Dehydrogenative Cross-Coupling of Primary Alcohols To Form Cross-Esters Catalyzed by a Manganese Pincer Complex","ACS Catalysis","2018","9","1","479","","10.1021/acscatal.8b04585","","","1.54184","CuKα","","0.0372","0.0328","","","0.0798","0.0817","","","","","","1.038","","","","has coordinates","225614","2020-10-21","18:00:00",""
"4515460","8.3986","0.001","10.167","0.0012","18.964","0.0019","90","","101.38","0.004","90","","1587.5","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","0.71073","MoKα","","0.0691","0.0425","","","0.0934","0.103","","","","","","1.024","","","","has coordinates","225615","2020-10-21","18:00:00",""
"4515461","9.4368","0.0007","11.2965","0.0007","18.1549","0.0011","81.081","0.004","81.652","0.004","73.77","0.003","1825.2","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O2 -","- C20 H27 N3 O2 -","- C80 H108 N12 O8 -","4","2","","van der Puyl, Vincent A.; Derosa, Joseph; Engle, Keary M.","Directed, Nickel-Catalyzed Umpolung 1,2-Carboamination of Alkenyl Carbonyl Compounds","ACS Catalysis","2018","9","1","224","","10.1021/acscatal.8b04516","","x-ray","1.54178","CuKα","","0.1175","0.0668","","","0.1338","0.1557","","","","","","1.023","","","","has coordinates,has disorder","225616","2020-10-21","18:00:00",""
"4515462","7.4443","0.0002","10.4007","0.0003","31.5827","0.0008","90","","90","","90","","2445.32","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 B F2 O4 Si -","- C22 H33 B F2 O4 Si -","- C88 H132 B4 F8 O16 Si4 -","4","1","","Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang","Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates","ACS Catalysis","2018","9","1","38","","10.1021/acscatal.8b02842","","","1.54178","CuKα","","0.0692","0.0659","","","0.1877","0.1919","","","","","","1.052","","","","has coordinates","225617","2020-10-21","18:00:00",""
"4515463","26.0162","0.0011","11.1134","0.0004","23.2857","0.001","90","","108.358","0.004","90","","6389.9","0.5","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 B O8 P2 Pd -","- C28 H47 B O8 P2 Pd -","- C224 H376 B8 O64 P16 Pd8 -","8","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","0.71073","MoKα","","0.0436","0.0321","","","0.0722","0.0773","","","","","","1.069","","","","has coordinates","225618","2020-10-21","18:00:00",""
"4515464","13.2301","0.001","13.2301","0.001","38.893","0.005","90","","90","","90","","6807.7","1.1","93","2","93","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H15 B O2 -","- C9 H15 B O2 -","- C288 H480 B32 O64 -","32","1","","Espinosa, Matthew R.; Charboneau, David J.; Garcia de Oliveira, André; Hazari, Nilay","Controlling Selectivity in the Hydroboration of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Oxidation Levels","ACS Catalysis","2018","9","1","301","","10.1021/acscatal.8b03894","","","1.54184","CuKα","","0.148","0.0881","","","0.2151","0.2555","","","","","","1.03","","","","has coordinates","225619","2020-10-21","18:00:00",""
"4515473","13.76","0.0003","7.1297","0.0002","34.2631","0.0007","90","","90","","90","","3361.37","0.14","110","0.14","110","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C160 H184 N8 O16 -","8","1","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.0592","0.0479","","","0.1173","0.1251","","","","","","1.044","","","","has coordinates","225628","2020-10-21","18:00:00",""
"4515474","7.38319","0.0001","26.3138","0.0004","19.6731","0.0003","90","","93.6518","0.0013","90","","3814.33","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45.67 H35.35 Cl3.35 N2 O2 -","- C45.675 H35.3508 Cl3.35 N2 O2 -","- C182.7 H141.403 Cl13.4 N8 O8 -","4","0.5","","Ho, Hon Eong; Stephens, Thomas C.; Payne, Thomas J.; O’Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Merging π-Acid and Pd Catalysis: Dearomatizing Spirocyclization/Cross-Coupling Cascade Reactions of Alkyne-Tethered Aromatics","ACS Catalysis","2018","9","1","504","","10.1021/acscatal.8b03861","","x-ray","1.54184","CuKα","","0.049","0.045","","","0.1154","0.1189","","","","","","1.053","","","","has coordinates,has disorder","225629","2020-10-21","18:00:00",""
"4515475","11.5","0.007","14.765","0.009","34.41","0.02","90","","90","","90","","5843","6","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Mn N3 O5 P2 S -","- C22 H40 Mn N3 O5 P2 S -","- C176 H320 Mn8 N24 O40 P16 S8 -","8","1","","Bertini, Federica; Glatz, Mathias; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.; Kirchner, Karl; Gonsalvi, Luca","Carbon Dioxide Reduction to Methanol Catalyzed by Mn(I) PNP Pincer Complexes under Mild Reaction Conditions","ACS Catalysis","2018","9","1","632","","10.1021/acscatal.8b04106","","","0.71073","MoKα","","0.0714","0.0461","","","0.0923","0.1029","","","","","","1.04","","","","has coordinates,has disorder","225630","2020-10-21","18:00:00",""
"4515476","8.9763","0.0018","10.84","0.002","11.572","0.002","109.84","0.03","99.23","0.03","93.29","0.03","1037.8","0.4","128.15","","128.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H29 N -","- C27 H29 N -","- C54 H58 N2 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0592","0.0468","","","0.1196","0.1363","","","","","","1.034","","","","has coordinates","225631","2020-10-21","18:00:00",""
"4515477","9.616","0.003","10.433","0.004","13.436","0.005","100.936","0.008","95.927","0.007","95.808","0.008","1306.3","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H40 N Sc Si2 -","- C23 H40 N Sc Si2 -","- C46 H80 N2 Sc2 Si4 -","2","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.0309","0.028","","","0.0839","0.085","","","","","","1.096","","","","has coordinates","225632","2020-10-21","18:00:00",""
"4515478","19.003","0.004","10.452","0.002","8.8763","0.0018","90","","96.73","0.03","90","","1750.9","0.6","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H24 F6 N P -","- C15 H24 F6 N P -","- C60 H96 F24 N4 P4 -","4","1","","Tang, Bin; Hu, Xiaoyan; Liu, Chunli; Jiang, Tao; Alam, Fakhre; Chen, Yanhui","Tandem Cyclization/Hydroarylation of α,ω-Dienes Triggered by Scandium-Catalyzed C‒H Activation","ACS Catalysis","2018","9","1","599","","10.1021/acscatal.8b04713","","","0.71073","MoKα","","0.1114","0.1036","","","0.2987","0.3075","","","","","","1.152","","","","has coordinates,has disorder","225633","2020-10-21","18:00:00",""
"4515480","19.3364","0.0002","10.43031","0.00012","16.58648","0.00019","90","","95.7369","0.001","90","","3328.48","0.06","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N1-(2,6-Bis-(3-pentyl)phenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C36 H48 Cl2 N2 O Ru -","- C36 H48 Cl2 N2 O Ru -","- C144 H192 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","","0.71073","MoKα","","0.0348","0.0283","","","0.0662","0.0704","","","","","","1.111","","","","has coordinates","225635","2020-10-21","18:00:00",""
"4515481","13.16","0.0002","10.12687","0.00013","37.8176","0.0006","90","","98.1376","0.0015","90","","4989.19","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[N1-(2,6-Bis-(diphenylmethyl)-4-methylphenyl)-N2-benzyl)-2-imidazolidinylidene] (2-isopropoxyphenylmethylene)ruthenium(II) chloride","","- C53 H50 Cl2 N2 O Ru -","- C53 H50 Cl2 N2 O Ru -","- C212 H200 Cl8 N8 O4 Ru4 -","4","1","","Małecki, Paweł; Gajda, Katarzyna; Gajda, Roman; Woźniak, Krzysztof; Trzaskowski, Bartosz; Kajetanowicz, Anna; Grela, Karol","Specialized Ruthenium Olefin Metathesis Catalysts Bearing Bulky Unsymmetrical NHC Ligands: Computations, Synthesis, and Application","ACS Catalysis","2018","9","1","587","","10.1021/acscatal.8b04783","","x-ray","0.71073","MoKα","","0.0856","0.0749","","","0.1517","0.1561","","","","","","1.2","","","","has coordinates,has disorder","225636","2020-10-21","18:00:00",""
"4515482","11.6704","0.0003","12.4895","0.0004","24.8148","0.0007","90","","90","","90","","3616.94","0.18","83","","83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Br N3 O7 -","- C41 H48 Br N3 O7 -","- C164 H192 Br4 N12 O28 -","4","1","","Paria, Suva; Kang, Qi-Kai; Hatanaka, Miho; Maruoka, Keiji","Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations","ACS Catalysis","2018","9","1","78","","10.1021/acscatal.8b03292","","","1.54187","CuKα","","0.0463","0.0412","","","0.1115","0.1187","","","","","","0.903","","","","has coordinates","225637","2020-10-21","18:00:00",""
"4515483","14.9159","0.0005","18.747","0.0007","20.4012","0.0009","90","","90","","90","","5704.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 N2 Ni -","- C71 H72 N2 Ni -","- C284 H288 N8 Ni4 -","4","1","","Cai, Yuan; Zhang, Jia-Wen; Li, Feng; Liu, Jia-Ming; Shi, Shi-Liang","Nickel/N-Heterocyclic Carbene Complex-Catalyzed Enantioselective Redox-Neutral Coupling of Benzyl Alcohols and Alkynes to Allylic Alcohols","ACS Catalysis","2018","9","1","1","","10.1021/acscatal.8b04198","","","0.71073","MoKα","","0.0618","0.042","","","0.0824","0.0931","","","","","","1.029","","","","has coordinates","225638","2020-10-21","18:00:00",""
"4515484","9.0036","0.0009","10.9036","0.0011","11.9944","0.0012","103.063","0.005","98.741","0.005","91.068","0.005","1132","0.2","293","","298","","","","","","","","","5","P 1","P 1","1","","YSB-!","","- C23 H22 N2 O4 S2 -","- C23 H22 N2 O4 S2 -","- C46 H44 N4 O8 S4 -","2","2","","Yang, Shengbiao; Wang, Lihong; Zhang, Hongwei; Liu, Chunyang; Zhang, Linli; Wang, Xiaomin; Zhang, Ge; Li, Yan; Zhang, Qian","Copper-Catalyzed Asymmetric Aminocyanation of Arylcyclopropanes for Synthesis of γ-Amino Nitriles","ACS Catalysis","2018","9","1","716","","10.1021/acscatal.8b03768","","","1.54184","CuKα","","0.0519","0.0391","","","0.0886","0.0966","","","","","","1.044","","","","has coordinates","225639","2020-10-21","18:00:00",""
"4515485","12.09","0.001","15.2246","0.0014","20.0614","0.0018","90","","91.35","0.008","90","","3691.6","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 F2 I P2 Pd -","- C37 H31 F2 I P2 Pd -","- C148 H124 F8 I4 P8 Pd4 -","4","0.5","","Hori, Kaishi; Motohashi, Hirotaka; Saito, Daichi; Mikami, Koichi","Precatalyst Effects on Pd-Catalyzed Cross-Coupling Difluoromethylation of Aryl Boronic Acids","ACS Catalysis","2018","9","1","417","","10.1021/acscatal.8b03892","","x-ray","1.54184","CuKα","","0.1084","0.0958","","","0.1803","0.1902","","","","","","1.055","","","","has coordinates,has disorder","225640","2020-10-21","18:00:00",""
"4515486","16.49","0.002","22.606","0.002","13.5064","0.0017","90","","90.007","0.005","90","","5034.8","1","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C224 H136 F64 Ir4 N16 P4 -","4","0.5","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0349","0.0275","","","0.061","0.0649","","","","","","1.085","","","","has coordinates","225641","2020-10-21","18:00:00",""
"4515487","11.7565","0.0016","12.8586","0.0017","18.657","0.003","81.314","0.005","80.238","0.005","73.409","0.004","2648.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C49 H32 Cl2 F16 Ir N4 P -","- C49 H32 Cl2 F16 Ir N4 P -","- C98 H64 Cl4 F32 Ir2 N8 P2 -","2","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.1042","0.0852","","","0.2189","0.2363","","","","","","1.12","","","","has coordinates,has disorder","225642","2020-10-21","18:00:00",""
"4515488","26.5472","0.0011","26.5472","","38.495","0.0018","90","","90","","120","","23494.8","1.5","150","2","150","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C56 H34 F16 Ir N4 P -","- C56 H34 F16 Ir N4 P -","- C1008 H612 F288 Ir18 N72 P18 -","18","1","","Boyaala, Rabab; Touzani, Rachid; Roisnel, Thierry; Dorcet, Vincent; Caytan, Elsa; Jacquemin, Denis; Boixel, Julien; Guerchais, Véronique; Doucet, Henri; Soulé, Jean-François","Catalyst-Controlled Regiodivergent C‒H Arylation Site of Fluorinated 2-Arylpyridine Derivatives: Application to Luminescent Iridium(III) Complexes","ACS Catalysis","2018","9","2","1320","","10.1021/acscatal.8b04553","","x-ray","0.71073","MoKα","","0.0923","0.0714","","","0.1759","0.19","","","","","","1.04","","","","has coordinates","225643","2020-10-21","18:00:00",""
"4515489","9.6279","0.0006","10.9013","0.0006","17.0857","0.001","98.271","0.003","102.568","0.003","108.408","0.003","1616.39","0.17","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H43 Al Cl N3 Si3 -","- C27 H43 Al Cl N3 Si3 -","- C54 H86 Al2 Cl2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0806","0.0594","","","0.1581","0.1719","","","","","","1.05","","","","has coordinates,has disorder","225644","2020-10-21","18:00:00",""
"4515490","7.3795","0.0004","13.4511","0.0007","21.1096","0.0011","90","","90","","90","","2095.39","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Al N3 -","- C24 H24 Al N3 -","- C96 H96 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0939","0.0537","","","0.1143","0.1352","","","","","","1.037","","","","has coordinates,has disorder","225645","2020-10-21","18:00:00",""
"4515491","8.9033","0.001","22.602","0.003","8.763","0.001","90","","100.967","0.003","90","","1731.2","0.4","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Al Cl N3 -","- C18 H19 Al Cl N3 -","- C72 H76 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1104","0.0651","","","0.1218","0.1404","","","","","","1.035","","","","has coordinates,has disorder","225646","2020-10-21","18:00:00",""
"4515492","9.0364","0.0003","10.9957","0.0004","16.5417","0.0006","91.033","0.002","97.953","0.002","107.345","0.002","1550.72","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H44 Al N4 -","- C35 H44 Al N4 -","- C70 H88 Al2 N8 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1333","0.0585","","","0.1091","0.1342","","","","","","1.011","","","","has coordinates","225647","2020-10-21","18:00:00",""
"4515493","9.6204","0.0004","24.1661","0.001","10.8834","0.0005","90","","94.131","0.003","90","","2523.68","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Al N3 -","- C29 H33 Al N3 -","- C116 H132 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0868","0.0477","","","0.0998","0.1167","","","","","","1.032","","","","has coordinates","225648","2020-10-21","18:00:00",""
"4515494","9.2076","0.0011","12.1268","0.0014","16.763","0.002","98.513","0.007","98.865","0.007","103.694","0.006","1763.3","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Al N3 Si3 -","- C33 H48 Al N3 Si3 -","- C66 H96 Al2 N6 Si6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.088","0.0566","","","0.1216","0.1447","","","","","","1.078","","","","has coordinates","225649","2020-10-21","18:00:00",""
"4515495","7.0617","0.0005","25.6486","0.0019","13.413","0.001","90","","105.218","0.005","90","","2344.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 Al Cl4 N3 O7 -","- C15 H24 Al Cl4 N3 O7 -","- C60 H96 Al4 Cl16 N12 O28 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0584","0.0442","","","0.0906","0.0964","","","","","","1.087","","","","has coordinates","225650","2020-10-21","18:00:00",""
"4515496","9.2525","0.0008","15.9339","0.0013","17.4939","0.0014","90","","95.425","0.005","90","","2567.5","0.4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Al Cl N3 -","- C27 H37 Al Cl N3 -","- C108 H148 Al4 Cl4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0884","0.0506","","","0.1203","0.1442","","","","","","1.047","","","","has coordinates,has disorder","225651","2020-10-21","18:00:00",""
"4515497","8.9098","0.0004","9.0012","0.0005","17.5788","0.001","89.93","0.004","76.945","0.004","69.158","0.004","1278.64","0.12","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H38 Al N3 -","- C27 H38 Al N3 -","- C54 H76 Al2 N6 -","2","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1311","0.0672","","","0.1356","0.1689","","","","","","1.018","","","","has coordinates,has disorder","225652","2020-10-21","18:00:00",""
"4515498","16.055","0.002","10.4568","0.0015","35.146","0.005","90","","98.496","0.009","90","","5835.7","1.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Al N3 -","- C33 H42 Al N3 -","- C264 H336 Al8 N24 -","8","2","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.1651","0.1255","","","0.288","0.3144","","","","","","1.089","","","","has coordinates,has disorder","225653","2020-10-21","18:00:00",""
"4515499","39.687","0.006","12.1443","0.0019","26.344","0.004","90","","98.409","0.002","90","","12561","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H34 B2 F30 Nd Si3 -","- C57 H34 B2 F30 Nd Si3 -","- C456 H272 B16 F240 Nd8 Si24 -","8","1","","Schmidt, Bradley M.; Pindwal, Aradhana; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Zwitterionic Trivalent (Alkyl)lanthanide Complexes in Ziegler-Type Butadiene Polymerization","ACS Catalysis","2018","9","2","827","","10.1021/acscatal.8b04025","","","0.71073","MoKα","","0.1046","0.0669","","","0.1791","0.2179","","","","","","0.855","","","","has coordinates","225654","2020-10-21","18:00:00",""
"4515500","6.101","0.0005","7.1857","0.0006","36.046","0.004","90","","94.848","0.005","90","","1574.6","0.3","150","2","150","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1318","0.0668","","","0.1311","0.1589","","","","","","0.964","","","","has coordinates","225656","2020-10-21","18:00:00",""
"4515501","14.4785","0.0014","9.0523","0.001","16.7522","0.0019","90","","92.179","0.005","90","","2194","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H31 Cl Fe N2 -","- C23 H31 Cl Fe N2 -","- C92 H124 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1367","0.0568","","","0.1023","0.1306","","","","","","0.964","","","","has coordinates","225657","2020-10-21","18:00:00",""
"4515502","16.5485","0.0011","10.4399","0.0007","31.246","0.002","90","","90","","90","","5398.2","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl Fe N2 -","- C29 H35 Cl Fe N2 -","- C232 H280 Cl8 Fe8 N16 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1471","0.0647","","","0.1221","0.1478","","","","","","1.015","","","","has coordinates","225658","2020-10-21","18:00:00",""
"4515503","11.9206","0.0002","15.6644","0.0004","27.735","0.0005","90","","90","","90","","5178.93","0.18","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H38 Cl Fe N3 -","- C26 H38 Cl Fe N3 -","- C208 H304 Cl8 Fe8 N24 -","8","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0574","0.0357","","","0.079","0.0875","","","","","","1.022","","","","has coordinates","225659","2020-10-21","18:00:00",""
"4515504","12.631","0.0011","15.5444","0.0012","16.5595","0.0014","90","","105.365","0.003","90","","3135.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Fe N2 -","- C37 H40 Fe N2 -","- C148 H160 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1401","0.0569","","","0.1075","0.1325","","","","","","0.974","","","","has coordinates","225660","2020-10-21","18:00:00",""
"4515505","17.827","0.002","15.8552","0.0018","11.0869","0.0013","90","","104.133","0.006","90","","3038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl Fe N2 -","- C25 H35 Cl Fe N2 -","- C100 H140 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1269","0.0542","","","0.1127","0.1402","","","","","","0.915","","","","has coordinates","225661","2020-10-21","18:00:00",""
"4515506","11.736","0.002","10.478","0.002","14.979","0.003","90","","102.775","0.01","90","","1796.4","0.6","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Fe2 -","- C24 H20 Fe2 -","- C96 H80 Fe8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1311","0.0607","","","0.0951","0.1148","","","","","","1.001","","","","has coordinates","225662","2020-10-21","18:00:00",""
"4515507","8.6146","0.0005","17.039","0.0011","19.7629","0.0011","90","","90","","90","","2900.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Cl Fe N2 -","- C28 H41 Cl Fe N2 -","- C112 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0952","0.0519","","","0.0955","0.1091","","","","","","1.002","","","","has coordinates","225663","2020-10-21","18:00:00",""
"4515508","8.4344","0.001","22.681","0.002","15.3166","0.0016","90","","90.017","0.004","90","","2930.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cl Fe N2 -","- C32 H41 Cl Fe N2 -","- C128 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0732","0.0463","","","0.0941","0.104","","","","","","1.017","","","","has coordinates","225664","2020-10-21","18:00:00",""
"4515509","8.5309","0.0005","16.6841","0.0008","17.0048","0.0009","90","","91.196","0.002","90","","2419.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 Cl Fe N2 -","- C26 H37 Cl Fe N2 -","- C104 H148 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.1126","0.0548","","","0.1132","0.1329","","","","","","1.017","","","","has coordinates","225665","2020-10-21","18:00:00",""
"4515510","7.0423","0.0006","9.2936","0.0009","12.8025","0.0006","89.117","0.007","75.476","0.007","77.243","0.008","790.39","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N O4 S -","- C19 H13 N O4 S -","- C38 H26 N2 O8 S2 -","2","1","","Shu, Chao; Shi, Chong-Yang; Sun, Qing; Zhou, Bo; Li, Tian-You; He, Qiao; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Endocyclic Vinyl Carbene Complexes via Gold-Catalyzed Oxidative Cyclization of Terminal Diynes: Toward Naphthoquinones and Carbazolequinones","ACS Catalysis","2018","9","2","1019","","10.1021/acscatal.8b04455","","","1.54184","CuKα","","0.0529","0.0458","","","0.1248","0.129","","","","","","1.115","","","","has coordinates","225666","2020-10-21","18:00:00",""
"4515511","9.633","0.009","11.189","0.01","12.051","0.013","89.56","0.04","71.1","0.04","83.22","0.04","1220","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","18056AL","","","- C30 H29 Al N4 O -","- C30 H29 Al N4 O -","- C60 H58 Al2 N8 O2 -","2","1","","Mandal, Mukunda; Luke, Anna M.; Dereli, Büşra; Elwell, Courtney E.; Reineke, Theresa M.; Tolman, William B.; Cramer, Christopher J.","Computational Prediction and Experimental Verification of ε-Caprolactone Ring-Opening Polymerization Activity by an Aluminum Complex of an Indolide/Schiff-Base Ligand","ACS Catalysis","2018","9","2","885","","10.1021/acscatal.8b04540","","","0.71073","MoKα","","0.0639","0.047","","","0.1149","0.1269","","","","","","1.037","","","","has coordinates","225667","2020-10-21","18:00:00",""
"4515512","9.1036","0.0002","13.3256","0.0002","36.2038","0.0006","90","","90","","90","","4391.92","0.14","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0615","0.0598","","","0.1593","0.1614","","","","","","1.024","","","","has coordinates","225668","2020-10-21","18:00:00",""
"4515513","9.0909","0.0003","13.2501","0.0004","36.0908","0.0012","90","","90","","90","","4347.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O2 -","- C25 H27 Br N2 O2 -","- C200 H216 Br8 N16 O16 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0646","0.0468","","","0.1017","0.1124","","","","","","1.043","","","","has coordinates,has disorder","225669","2020-10-21","18:00:00",""
"4515514","11.446","0.0007","11.5967","0.0008","12.3843","0.0009","112.094","0.004","115.7","0.003","93.978","0.004","1318.18","0.17","175","2","175","2","","","","","","","","6","P -1","-P 1","2","shr484fs_LT","","","- C25 H38 B N O6 S -","- C25 H38 B N O6 S -","- C50 H76 B2 N2 O12 S2 -","2","1","","Kim-Lee, Shin-Ho; Alonso, Inés; Mauleón, Pablo; Arrayás, Ramón Gómez; Carretero, Juan C.","Rationalizing the Role of NaOtBu in Copper-Catalyzed Carboboration of Alkynes: Assembly of Allylic All-Carbon Quaternary Stereocenters","ACS Catalysis","2018","8","10","8993","","10.1021/acscatal.8b02123","","","0.71073","MoKα","","0.0644","0.0458","","","0.1085","0.1202","","","","","","1.025","","","","has coordinates","225670","2020-10-21","18:00:00",""
"4515515","27.4465","0.0018","6.4873","0.0004","22.0138","0.0015","90","","112.954","0.002","90","","3609.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 F N O4 -","- C21 H22 F N O4 -","- C168 H176 F8 N8 O32 -","8","2","","Park, Hojoon; Chekshin, Nikita; Shen, Peng-Xiang; Yu, Jin-Quan","Ligand-Enabled, Palladium-Catalyzed β-C(sp<sup>3</sup>)-H Arylation of Weinreb Amides.","ACS catalysis","2018","8","10","9292","9297","10.1021/acscatal.8b03014","","x-ray","1.54178","CuKα","","0.0414","0.0378","","","0.0987","0.1021","","","","","","1.032","","","","has coordinates","225671","2020-10-21","18:00:00",""
"4515516","11.0919","0.0007","18.3376","0.0011","21.9261","0.0013","90","","90","","90","","4459.7","0.5","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Co K N6 O11 -","- C41 H51 Co K N6 O11 -","- C164 H204 Co4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0516","0.0443","","","0.097","0.1007","","","","","","1.085","","","","has coordinates","225672","2020-10-21","18:00:00",""
"4515517","11.7651","0.0007","21.2221","0.0012","16.4682","0.0009","90","","95.468","0.001","90","","4093.1","0.4","137","2","137","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 K Mn N7 O3 -","- C45 H36 K Mn N7 O3 -","- C180 H144 K4 Mn4 N28 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0558","0.0436","","","0.1096","0.1162","","","","","","1.064","","","","has coordinates","225673","2020-10-21","18:00:00",""
"4515518","9.1381","0.0009","12.0237","0.0012","17.8361","0.0019","96.278","0.002","90.36","0.002","111.214","0.002","1813.7","0.3","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H48 N4 -","- C45 H48 N4 -","- C90 H96 N8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1174","0.0722","","","0.1863","0.2273","","","","","","1.068","","","","has coordinates","225674","2020-10-21","18:00:00",""
"4515519","11.527","0.002","13.729","0.003","27.724","0.005","90","","92.471","0.004","90","","4383.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 K Mn N4 O2 -","- C50 H55 K Mn N4 O2 -","- C200 H220 K4 Mn4 N16 O8 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0786","0.0549","","","0.1321","0.145","","","","","","0.985","","","","has coordinates","225675","2020-10-21","18:00:00",""
"4515520","12.3883","0.0015","18.995","0.002","21.656","0.003","90","","101.457","0.002","90","","4994.5","1.1","137","2","137","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C53 H47.5 F9 K Mn N4.5 O6.5 -","- C212 H190 F36 K4 Mn4 N18 O26 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1737","0.0917","","","0.1762","0.2119","","","","","","1.028","","","","has coordinates,has disorder","225676","2020-10-21","18:00:00",""
"4515521","19.36","0.003","10.0615","0.0016","29.486","0.004","90","","128.675","0.007","90","","4484","1.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 F9 N4 O6 -","- C48 H39 F9 N4 O6 -","- C192 H156 F36 N16 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1598","0.0628","","","0.1537","0.196","","","","","","0.949","","","","has coordinates","225677","2020-10-21","18:00:00",""
"4515522","13.4244","0.0015","15.4608","0.0017","21.041","0.002","92.203","0.002","93.474","0.001","102.805","0.001","4244.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H131 K Mn N4 O7 -","- C88 H131 K Mn N4 O7 -","- C176 H262 K2 Mn2 N8 O14 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1006","0.0823","","","0.2295","0.248","","","","","","1.014","","","","has coordinates,has disorder","225678","2020-10-21","18:00:00",""
"4515523","12.729","0.004","14.584","0.004","16.701","0.005","112.045","0.005","92.891","0.006","99.02","0.005","2817.9","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 F18 K Mn N4 O3 -","- C54 H45 F18 K Mn N4 O3 -","- C108 H90 F36 K2 Mn2 N8 O6 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1055","0.0749","","","0.2016","0.2235","","","","","","1.047","","","","has coordinates","225679","2020-10-21","18:00:00",""
"4515524","12.421","0.003","13.222","0.003","24.754","0.005","89.65","0.004","77.831","0.004","72.506","0.003","3783.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C148 H198 Cl0 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","- C148 H198 K4 Mn4 N20 O19 -","1","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0998","0.0714","","","0.1764","0.1953","","","","","","1.027","","","","has coordinates,has disorder","225680","2020-10-21","18:00:00",""
"4515525","11.719","0.01","12.417","0.01","21.77","0.019","91.221","0.012","100.827","0.011","100.424","0.012","3055","4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C64.75 H86 K Mn N4 O4 -","- C61 H77 K Mn N4 O4 -","- C122 H154 K2 Mn2 N8 O8 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1269","0.0769","","","0.1804","0.2122","","","","","","0.912","","","","has coordinates","225681","2020-10-21","18:00:00",""
"4515526","12.4818","0.0015","21.792","0.003","20.039","0.002","90","","105.708","0.002","90","","5247.1","1.1","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H71 K Mn N4 O4 -","- C58 H71 K Mn N4 O4 -","- C232 H284 K4 Mn4 N16 O16 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0444","0.0398","","","0.1028","0.1066","","","","","","1.053","","","","has coordinates","225682","2020-10-21","18:00:00",""
"4515527","18.3717","0.0012","10.8662","0.0007","19.0286","0.0012","90","","94.307","0.001","90","","3788","0.4","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H29 F9 K Mn N6 O5 -","- C32 H29 F9 K Mn N6 O5 -","- C128 H116 F36 K4 Mn4 N24 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.053","0.0516","","","0.1418","0.1438","","","","","","1.045","","","","has coordinates","225684","2020-10-21","18:00:00",""
"4515528","11.1683","0.0017","18.406","0.003","21.83","0.003","90","","90","","90","","4487.5","1.2","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Fe K N6 O11 -","- C41 H51 Fe K N6 O11 -","- C164 H204 Fe4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0355","0.0344","","","0.0904","0.0913","","","","","","1.037","","","","has coordinates","225685","2020-10-21","18:00:00",""
"4515529","11.391","0.0007","20.1796","0.0014","24.488","0.0018","90","","93.742","0.003","90","","5617","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 Cl6 K Mn N4 O5 -","- C56 H61 Cl6 K Mn N4 O5 -","- C224 H244 Cl24 K4 Mn4 N16 O20 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0638","0.0403","","","0.0861","0.0981","","","","","","1.022","","","","has coordinates,has disorder","225686","2020-10-21","18:00:00",""
"4515530","10.696","0.003","18.855","0.006","15.813","0.005","90","","101.378","0.005","90","","3126.4","1.7","243","2","243","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Co F9 K N6 O3 -","- C28 H18 Co F9 K N6 O3 -","- C112 H72 Co4 F36 K4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1054","0.0606","","","0.1398","0.17","","","","","","0.858","","","","has coordinates","225687","2020-10-21","18:00:00",""
"4515531","18.8633","0.0015","21.7465","0.0017","22.5199","0.0018","90","","102.759","0.001","90","","9009.8","1.2","136","2","136","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H118 K2 Mn2 N8 O17 -","- C86 H118 K2 Mn2 N8 O17 -","- C344 H472 K8 Mn8 N32 O68 -","4","0.5","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0764","0.0546","","","0.1354","0.1495","","","","","","1.031","","","","has coordinates","225688","2020-10-21","18:00:00",""
"4515532","9.133","0.008","29.15","0.03","16.125","0.014","90","","95.392","0.012","90","","4274","7","220","2","220","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 F9 K N7 Ni O6 -","- C36 H39 F9 K N7 Ni O6 -","- C144 H156 F36 K4 N28 Ni4 O24 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0805","0.0564","","","0.1475","0.1648","","","","","","1.024","","","","has coordinates,has disorder","225689","2020-10-21","18:00:00",""
"4515533","10.661","0.007","18.766","0.012","15.752","0.01","90","","100.699","0.01","90","","3097","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 F9 K Mn N6 O3 -","- C28 H18 F9 K Mn N6 O3 -","- C112 H72 F36 K4 Mn4 N24 O12 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0822","0.0668","","","0.1768","0.192","","","","","","1.098","","","","has coordinates,has disorder","225690","2020-10-21","18:00:00",""
"4515534","11.759","0.002","13.541","0.003","26.426","0.005","86.003","0.003","80.023","0.003","73.719","0.002","3977","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H105 K2 Mn2 N11 O9 -","- C78 H105 K2 Mn2 N11 O9 -","- C156 H210 K4 Mn4 N22 O18 -","2","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.1206","0.1096","","","0.3163","0.3253","","","","","","1.096","","","","has coordinates","225691","2020-10-21","18:00:00",""
"4515535","5.8829","0.0002","8.228","0.0002","25.846","0.0007","90","","96.056","0.001","90","","1244.08","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Liu, Chengwei; Li, Guangchen; Shi, Shicheng; Meng, Guangrong; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Acyl and Decarbonylative Suzuki Coupling of N-Acetyl Amides: Electronic Tuning of Twisted, Acyclic Amides in Catalytic Carbon‒Nitrogen Bond Cleavage","ACS Catalysis","2018","8","10","9131","","10.1021/acscatal.8b02815","","","1.54178","CuKα","","0.0478","0.0462","","","0.1134","0.1146","","","","","","1.043","","","","has coordinates","225692","2020-10-21","18:00:00",""
"4515536","12.148","0.0008","10.6001","0.0006","19.4764","0.0012","90","","96.366","0.002","90","","2492.5","0.3","149.94","","149.94","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N2 O4 P -","- C30 H27 N2 O4 P -","- C120 H108 N8 O16 P4 -","4","1","","Meyer, Tjark H.; Oliveira, João C. A.; Sau, Samaresh Chandra; Ang, Nate W. J.; Ackermann, Lutz","Electrooxidative Allene Annulations by Mild Cobalt-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9140","","10.1021/acscatal.8b03066","","","0.71073","MoKα","","0.0396","0.036","","","0.102","0.1049","","","","","","1.061","","","","has coordinates","225693","2020-10-21","18:00:00",""
"4515537","6.1285","0.0001","10.8042","0.0002","30.5592","0.0006","90","","90","","90","","2023.43","0.06","120","2","119.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N O2 -","- C25 H20 Cl N O2 -","- C100 H80 Cl4 N4 O8 -","4","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","1.54178","CuKα","","0.0267","0.0262","","","0.0661","0.0666","","","","","","1.045","","","","has coordinates","225694","2020-10-21","18:00:00",""
"4515538","13.288","","5.6","","14.983","","90","","114.29","","90","","1016.23","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H20 Br N O2 -","- C25 H20 Br N O2 -","- C50 H40 Br2 N2 O4 -","2","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","0.71073","MoKα","","0.0557","0.0493","","","0.1211","0.1278","","","","","","1.039","","","","has coordinates","225695","2020-10-21","18:00:00",""
"4515539","39.254","0.007","39.254","0.007","16.542","0.003","90","","90","","120","","22074","7","100","2","100","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo0.96 O32 S1.92 Zr6 -","- C88 H44 Mo0.96 O32 S2.24 Zr6 -","- C264 H132 Mo2.88 O96 S6.72 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1324","0.0817","","","0.2474","0.2833","","","","","","1.081","","","","has coordinates,has disorder","225696","2020-10-21","18:00:00",""
"4515540","39.4657","0.0012","39.4657","0.0012","16.3953","0.0005","90","","90","","120","","22115.1","1.2","100","2","100","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C88 H44 Mo2.24 O36.88 Zr6 -","- C88 H44 Mo2.24 O36.88 Zr6 -","- C264 H132 Mo6.72 O110.64 Zr18 -","3","0.125","","Noh, Hyunho; Kung, Chung-Wei; Otake, Ken-ichi; Peters, Aaron W.; Li, Zhanyong; Liao, Yijun; Gong, Xinyi; Farha, Omar K.; Hupp, Joseph T.","Redox-Mediator-Assisted Electrocatalytic Hydrogen Evolution from Water by a Molybdenum Sulfide-Functionalized Metal‒Organic Framework","ACS Catalysis","2018","8","10","9848","","10.1021/acscatal.8b02921","","","0.71073","MoKα","","0.1008","0.0763","","","0.2223","0.2365","","","","","","1.072","","","","has coordinates,has disorder","225697","2020-10-21","18:00:00",""
"4515541","9.0462","0.0004","11.8256","0.0005","23.9232","0.0009","90","","90","","90","","2559.23","0.18","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines","ACS Catalysis","2018","8","10","9859","","10.1021/acscatal.8b02651","","","0.71073","MoKα","","0.1373","0.0671","","","0.1144","0.1435","","","","","","1.014","","","","has coordinates","225698","2020-10-21","18:00:00",""
"4515542","13.7717","0.0002","11.1518","0.0001","18.9206","0.0002","90","","90","","90","","2905.81","0.06","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H21 Ge N O3 -","- C14 H21 Ge N O3 -","- C112 H168 Ge8 N8 O24 -","8","1","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.0306","0.0288","","","0.0803","0.082","","","","","","1.054","","","","has coordinates","225699","2020-10-21","18:00:00",""
"4515543","14.8342","0.0003","13.3798","0.0003","16.4653","0.0004","90","","96.777","0.002","90","","3245.18","0.13","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Ge N O3 -","- C14 H20 Cl Ge N O3 -","- C112 H160 Cl8 Ge8 N8 O24 -","8","2","","Song, Hai-Jie; Jiang, Wei-Tao; Zhou, Qiao-Lan; Xu, Meng-Yu; Xiao, Bin","Structure-Modified Germatranes for Pd-Catalyzed Biaryl Synthesis","ACS Catalysis","2018","8","10","9287","","10.1021/acscatal.8b02661","","","1.54184","CuKα","","0.05","0.0421","","","0.1081","0.1132","","","","","","1.035","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4515544","8.3369","0.0016","9.3962","0.0018","14.592","0.003","100.111","0.002","103.43","0.003","98.334","0.002","1073.8","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H60 N2 -","- C54 H60 N2 -","- C54 H60 N2 -","1","0.5","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0668","0.0486","","","0.1367","0.1429","","","","","","1.38","","","","has coordinates","225701","2020-10-21","18:00:00",""
"4515545","8.8458","0.0013","14.526","0.002","9.5388","0.0014","90","","90","","90","","1225.7","0.3","90","","90","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H14 F3 N O -","- C12 H14 F3 N O -","- C48 H56 F12 N4 O4 -","4","1","","Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka","Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation","ACS Catalysis","2018","8","10","9408","","10.1021/acscatal.8b02885","","","0.71073","MoKα","","0.0282","0.0279","","","0.1136","0.1147","","","","","","1.051","","","","has coordinates","225702","2020-10-21","18:00:00",""
"4515546","10.1611","0.0008","10.3192","0.0009","12.2146","0.001","73.14","0.0016","71.609","0.0015","61.296","0.002","1051.13","0.15","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.0873","0.0667","","","0.1643","0.1805","","","","","","1.023","","","","has coordinates,has disorder","225703","2020-10-21","18:00:00",""
"4515547","10.082","0.0006","10.316","0.0007","12.247","0.0008","73.57","0.004","71.546","0.004","61.603","0.004","1049.43","0.12","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H23 N S -","- C28 H23 N S -","- C56 H46 N2 S2 -","2","2","","Chen, Min-Hsien; Hsieh, Jen-Chieh; Lee, Yi-Hsien; Cheng, Chien-Hong","Controlled Synthesis of Enantioselective 1-Aminoindenes via Cobalt-Catalyzed [3 + 2] Annulation Reaction","ACS Catalysis","2018","8","10","9364","","10.1021/acscatal.8b02566","","","0.71073","MoKα","","0.156","0.1083","","","0.2803","0.3236","","","","","","1.048","","","","has coordinates,has disorder","225704","2020-10-21","18:00:00",""
"4515548","8.085","0.0004","16.9819","0.0009","10.0705","0.0005","90","","110.13","0.001","90","","1298.2","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0412","0.0338","","","0.0846","0.09","","","","","","1.034","","","","has coordinates","225705","2020-10-21","18:00:00",""
"4515549","7.0746","0.0006","19.195","0.002","15.3264","0.0014","90","","100.918","0.003","90","","2043.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cl N2 O3 S -","- C23 H19 Cl N2 O3 S -","- C92 H76 Cl4 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.048","0.0357","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","225706","2020-10-21","18:00:00",""
"4515550","33.95","0.005","8.4972","0.0012","7.9321","0.001","90","","90","","90","","2288.3","0.5","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H22 N2 O3 S -","- C27 H22 N2 O3 S -","- C108 H88 N8 O12 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0667","0.0427","","","0.0864","0.0975","","","","","","1.067","","","","has coordinates","225707","2020-10-21","18:00:00",""
"4515551","12.008","0.002","7.0368","0.0013","30.631","0.006","90","","92.288","0.006","90","","2586.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C104 H96 N8 O20 S4 -","4","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.1404","0.0695","","","0.1479","0.1742","","","","","","1.024","","","","has coordinates","225708","2020-10-21","18:00:00",""
"4515552","33.457","0.006","7.1395","0.0012","20.377","0.004","90","","103.524","0.005","90","","4732.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 N2 O3 S -","- C28 H28 N2 O3 S -","- C224 H224 N16 O24 S8 -","8","1","","Jadhav, Prakash D.; Lu, Xin; Liu, Rai-Shung","Gold-Catalyzed [5+2]- and [5+1]-Annulations between Ynamides and 1,2-Benzisoxazoles with Ligand-Controlled Chemoselectivity","ACS Catalysis","2018","8","10","9697","","10.1021/acscatal.8b03011","","","0.71073","MoKα","","0.0804","0.0509","","","0.1232","0.1394","","","","","","1.079","","","","has coordinates","225709","2020-10-21","18:00:00",""
"4515553","9.5004","0.0003","11.278","0.0004","11.5979","0.0003","104.256","0.002","109.363","0.002","106.026","0.003","1045.71","0.07","296.6","0.5","296.6","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C24 H22 Cl N3 O2 -","- C48 H44 Cl2 N6 O4 -","2","1","","Liu, Bingxian; Li, Jie; Hu, Panjie; Zhou, Xukai; Bai, Dachang; Li, Xingwei","Divergent Annulative C‒C Coupling of Indoles Initiated by Manganese-Catalyzed C‒H Activation","ACS Catalysis","2018","8","10","9463","","10.1021/acscatal.8b02560","","x-ray","1.54184","CuKα","","0.0733","0.0704","","","0.1852","0.1897","","","","","","1.046","","","","has coordinates","225710","2020-10-21","18:00:00",""
"4515554","9.356","0.0003","10.7541","0.0003","9.6715","0.0003","90","","96.3296","0.0015","90","","967.17","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C46 H50 N2 O4 -","2","1","","Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi","Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides","ACS Catalysis","2018","8","8","7340","","10.1021/acscatal.8b01687","","","0.71073","MoKα","","0.0402","0.0352","","","0.0874","0.0914","","","","","","1.023","","","","has coordinates","225711","2020-10-21","18:00:00",""
"4515555","19.738","0.004","5.4134","0.0011","11.384","0.002","90","","90","","90","","1216.4","0.4","113.15","","113.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H17 B Cl N O -","- C11 H17 B Cl N O -","- C44 H68 B4 Cl4 N4 O4 -","4","1","","Yang, Ji-Min; Zhao, Yu-Tao; Li, Zi-Qi; Gu, Xue-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Gold-Catalyzed Oxidative Coupling of Terminal Alkynes and Borane Adducts: Efficient Synthesis of α-Boryl Ketones","ACS Catalysis","2018","8","8","7351","","10.1021/acscatal.8b02052","","","0.71073","MoKα","","0.0333","0.0313","","","0.0726","0.0739","","","","","","1.042","","","","has coordinates","225712","2020-10-21","18:00:00",""
"4515556","12.7987","0.0002","15.0974","0.0002","25.8586","0.0004","104.39","","95.12","","100","","4720.16","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H42 O6 Ru2 -","- C62 H42 O6 Ru2 -","- C248 H168 O24 Ru8 -","4","2","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.6888","synchrotron","","0.0265","0.024","","","0.0777","0.0794","","","","","","1.04","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515557","15.7952","0.0002","7.4857","0.0001","20.8655","0.0003","90","","100.47","","90","","2426.02","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 O3 Ru -","- C31 H22 O3 Ru -","- C124 H88 O12 Ru4 -","4","1","","Gusev, Dmitry G.; Spasyuk, Denis M.","Revised Mechanisms for Aldehyde Disproportionation and the Related Reactions of the Shvo Catalyst","ACS Catalysis","2018","8","8","6851","","10.1021/acscatal.8b01153","","","0.65255","synchrotron","","0.0294","0.0286","","","0.0817","0.0831","","","","","","0.952","","","","has coordinates","225713","2020-10-21","18:00:00",""
"4515558","12.6922","0.0005","13.0313","0.0005","16.647","0.0006","76.0639","0.0007","84.1498","0.0007","84.0536","0.0007","2649.46","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H75 Cl3 Fe3 N6 -","- C57 H75 Cl3 Fe3 N6 -","- C114 H150 Cl6 Fe6 N12 -","2","1","","Ferreira, Ricardo B.; Cook, Brian J.; Knight, Brian J.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.","Catalytic Silylation of Dinitrogen by a Family of Triiron Complexes.","ACS catalysis","2018","8","8","7208","7212","10.1021/acscatal.8b02021","","","0.71073","MoKα","","0.1038","0.057","","","0.1025","0.113","","","","","","1.002","","","","has coordinates","225714","2020-10-21","18:00:00",""
"4515559","13.4325","0.0003","11.7346","0.0003","13.7646","0.0003","90","","92.32","0.001","90","","2167.87","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Mn N5 O4 -","- C21 H18 Mn N5 O4 -","- C84 H72 Mn4 N20 O16 -","4","1","","Liu, Tingting; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun","Manganese-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols under Phosphine-Free Conditions","ACS Catalysis","2018","8","8","7201","","10.1021/acscatal.8b01960","","","0.71073","MoKα","","0.0404","0.0337","","","0.0861","0.0911","","","","","","1.075","","","","has coordinates","225715","2020-10-21","18:00:00",""
"4515560","17.2156","0.0005","7.3295","0.0002","13.8834","0.0004","90","","90.807","0.002","90","","1751.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DF1104 - 18MCD006","","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0659","0.0435","","","0.1042","0.1173","","","","","","1.024","","","","has coordinates","225716","2020-10-21","18:00:00",""
"4515561","12.2561","0.0009","9.8925","0.0007","15.8384","0.0011","90","","110.254","0.003","90","","1801.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Fernández, David F.; Rodrigues, Catarina A. B.; Calvelo, Martín; Gulías, Moisés; Mascareñas, José L.; López, Fernando","Iridium(I)-Catalyzed Intramolecular Cycloisomerization of Enynes: Scope and Mechanistic Course","ACS Catalysis","2018","8","8","7397","","10.1021/acscatal.8b02139","","","0.71073","MoKα","","0.0733","0.047","","","0.1123","0.1271","","","","","","1.049","","","","has coordinates","225717","2020-10-21","18:00:00",""
"4515562","12.411","0.002","12.765","0.003","21.416","0.004","90","","95.043","0.003","90","","3379.7","1.2","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Cu N3 -","- C37 H46 Cu N3 -","- C148 H184 Cu4 N12 -","4","1","","Nakamura, Kimiaki; Hara, Reina; Sunada, Yusuke; Nishikata, Takashi","Radical-Organometallic Hybrid Reaction System Enabling Couplings between Tertiary-Alkyl Groups and 1-Alkenyl Groups","ACS Catalysis","2018","8","8","6791","","10.1021/acscatal.8b01572","","","0.71075","MoKα","","0.0504","0.0446","","","0.0996","0.1029","","","","","","1.084","","","","has coordinates","225718","2020-10-21","18:00:00",""
"4515563","17.7588","0.0004","13.939","0.0003","20.7682","0.0004","90","","90","","90","","5140.96","0.19","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 Cu N4 O7 S2 -","- C26 H24 Cu N4 O7 S2 -","- C208 H192 Cu8 N32 O56 S16 -","8","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0352","0.0331","","","0.0883","0.0899","","","","","","1.044","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515564","7.9814","0.0003","11.0894","0.0004","11.102","0.0004","96.461","0.001","100.176","0.001","110.007","0.001","892.77","0.06","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 Cu F3 N2 O7 S2 -","- C14 H13 Cu F3 N2 O7 S2 -","- C28 H26 Cu2 F6 N4 O14 S4 -","2","1","","Hardouin Duparc, Valérie; Bano, Guillaume L.; Schaper, Frank","Chan‒Evans‒Lam Couplings with Copper Iminoarylsulfonate Complexes: Scope and Mechanism","ACS Catalysis","2018","8","8","7308","","10.1021/acscatal.8b01881","","","1.34139","GaKα","","0.0366","0.0365","","","0.094","0.0941","","","","","","1.175","","","","has coordinates","225719","2020-10-21","18:00:00",""
"4515565","11.7373","0.0019","4.431","0.0007","21.078","0.003","90","","90","","90","","1096.2","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0724","0.0613","","","0.1482","0.1541","","","","","","1.145","","","","has coordinates","225720","2020-10-21","18:00:00",""
"4515566","6.6399","0.0003","17.0733","0.001","19.2759","0.0012","90","","90","","90","","2185.2","0.2","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0959","0.0563","","","0.1348","0.1597","","","","","","1.039","","","","has coordinates","225721","2020-10-21","18:00:00",""
"4515567","14.435","0.0008","5.4011","0.0003","16.2501","0.0009","90","","104.851","0.0019","90","","1224.62","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C60 H72 O8 -","4","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0714","0.0488","","","0.124","0.1423","","","","","","1.049","","","","has coordinates","225722","2020-10-21","18:00:00",""
"4515568","9.1834","0.0003","5.2643","0.0002","13.7823","0.0004","90","","107.711","0.0011","90","","634.72","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C30 H40 O4 -","2","1","","Teng, Shenghan; Tessensohn, Malcolm E.; Webster, Richard D.; Zhou, Jianrong Steve","Palladium-Catalyzed Intermolecular Heck-Type Reaction of Epoxides","ACS Catalysis","2018","8","8","7439","","10.1021/acscatal.8b02029","","","0.71073","MoKα","","0.0669","0.0593","","","0.1456","0.1541","","","","","","1.045","","","","has coordinates","225723","2020-10-21","18:00:00",""
"4515569","10.5305","0.0019","11.181","0.002","20.761","0.004","101.915","0.006","91.944","0.006","94.462","0.006","2381.4","0.8","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H70 Ce N7 O8 -","- C42 H70 Ce N7 O8 -","- C84 H140 Ce2 N14 O16 -","2","1","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0267","0.0243","","","0.0583","0.0589","","","","","","1.073","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515570","11.5006","0.0006","17.4646","0.0008","20.0865","0.0009","67.599","0.003","80.635","0.004","78.648","0.004","3639.9","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H51 Ce N6 O8 -","- C32 H51 Ce N6 O8 -","- C128 H204 Ce4 N24 O32 -","4","2","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0233","0.0188","","","0.045","0.0464","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515571","22.935","0.003","19.6202","0.0017","13.5095","0.0014","90","","114.142","0.002","90","","5547.4","1","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H66 Ce2 N11 O17 -","- C49 H66 Ce2 N11 O17 -","- C196 H264 Ce8 N44 O68 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0319","0.026","","","0.0656","0.0676","","","","","","1.034","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515572","15.263","0.003","27.226","0.004","17.096","0.003","90","","96.089","0.004","90","","7064","2","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C124 H174 Ce4 N21 O32 -","- C124 H174 Ce4 N21 O32 -","- C248 H348 Ce8 N42 O64 -","2","0.25","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0999","0.0759","","","0.1652","0.1712","","","","","","1.233","","","","has coordinates","225724","2020-10-21","18:00:00",""
"4515573","27.711","0.003","19.4594","0.0018","15.5984","0.0017","90","","122.044","0.0016","90","","7129.7","1.3","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H102 Ce2 N8 O11 -","- C68 H102 Ce2 N8 O11 -","- C272 H408 Ce8 N32 O44 -","4","0.5","","Shirase, Satoru; Shinohara, Koichi; Tsurugi, Hayato; Mashima, Kazushi","Oxidation of Alcohols to Carbonyl Compounds Catalyzed by Oxo-Bridged Dinuclear Cerium Complexes with Pentadentate Schiff-Base Ligands under a Dioxygen Atmosphere","ACS Catalysis","2018","8","8","6939","","10.1021/acscatal.8b01718","","","0.71075","MoKα","","0.0567","0.0356","","","0.0812","0.0875","","","","","","1.03","","","","has coordinates,has disorder","225724","2020-10-21","18:00:00",""
"4515574","13.746","0.004","11.435","0.003","18.615","0.006","90","","110.457","0.006","90","","2741.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","KU_02_22_17","","","- C34 H30 N2 O4 -","- C34 H30 N2 O4 -","- C136 H120 N8 O16 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0445","0.0406","","","0.1054","0.1093","","","","","","1.036","","","","has coordinates","225725","2020-10-21","18:00:00",""
"4515575","12.551","0.0007","9.9456","0.0005","17.6307","0.0009","90","","106.171","0.003","90","","2113.72","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","KU2_011","","","- C25 H25 N3 O Pd -","- C25 H25 N3 O Pd -","- C100 H100 N12 O4 Pd4 -","4","1","","Usui, Kenji; Haines, Brandon E.; Musaev, Djamaladdin G.; Sarpong, Richmond","Understanding Regiodivergence in a Pd(II)-Mediated Site-Selective C‒H Alkynylation","ACS Catalysis","2018","8","5","4516","","10.1021/acscatal.8b01116","","","0.71073","MoKα","","0.0428","0.0353","","","0.0682","0.075","","","","","","1.203","","","","has coordinates","225726","2020-10-21","18:00:00",""
"4515576","5.612","0.0009","7.5305","0.0014","37.033","0.006","90","","90","","90","","1565.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C76 H68 Cl4 O4 -","4","1","","Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin","Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst","ACS Catalysis","2018","8","5","4705","","10.1021/acscatal.8b01189","","","0.71073","MoKα","","0.0532","0.0491","","","0.1252","0.1301","","","","","","1.049","","","","has coordinates","225727","2020-10-21","18:00:00",""
"4515577","13.2573","0.0009","13.3386","0.0008","15.3535","0.001","90","","92.948","0.004","90","","2711.4","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H49 N O3 P2 Ru -","- C21 H49 N O3 P2 Ru -","- C84 H196 N4 O12 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.047","0.0376","","","0.0883","0.0927","","","","","","1.057","","","","has coordinates,has disorder","225728","2020-10-21","18:00:00",""
"4515578","15.1793","0.0005","16.5074","0.0008","16.664","0.0006","88.609","0.002","71.881","0.002","62.825","0.001","3496","0.2","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H125 N3 O10 P6 Ru3 -","- C51 H125 N3 O10 P6 Ru3 -","- C102 H250 N6 O20 P12 Ru6 -","2","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0221","0.0198","","","0.0468","0.0481","","","","","","1.036","","","","has coordinates,has disorder","225729","2020-10-21","18:00:00",""
"4515579","14.17","0.0005","15.3918","0.0006","21.741","0.0008","90","","90","","90","","4741.8","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H41 N O3 P2 Ru -","- C19 H41 N O3 P2 Ru -","- C152 H328 N8 O24 P16 Ru8 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Swesi, Youssef; Favre-Réguillon, Alain; Vanoye, Laurent; Dumeignil, Franck; Gauvin, Régis M.","Deeper Mechanistic Insight into Ru Pincer-Mediated Acceptorless Dehydrogenative Coupling of Alcohols: Exchanges, Intermediates, and Deactivation Species","ACS Catalysis","2018","8","5","4719","","10.1021/acscatal.8b00995","","","0.71073","MoKα","","0.0291","0.0208","","","0.0473","0.0506","","","","","","1.047","","","","has coordinates","225730","2020-10-21","18:00:00",""
"4515580","12.4393","0.0009","11.9755","0.0008","15.9077","0.0011","90","","91.637","0.002","90","","2368.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 Cl2 Mn N P2 -","- C19 H35 Cl2 Mn N P2 -","- C76 H140 Cl8 Mn4 N4 P8 -","4","1","","Brzozowska, Aleksandra; Azofra, Luis Miguel; Zubar, Viktoriia; Atodiresei, Iuliana; Cavallo, Luigi; Rueping, Magnus; El-Sepelgy, Osama","Highly Chemo- and Stereoselective Transfer Semihydrogenation of Alkynes Catalyzed by a Stable, Well-Defined Manganese(II) Complex","ACS Catalysis","2018","8","5","4103","","10.1021/acscatal.8b00983","","","0.71073","MoKα","","0.024","0.0217","","","0.0583","0.06","","","","","","1.01","","","","has coordinates","225731","2020-10-21","18:00:00",""
"4515581","4.8553","0.0004","32.281","0.002","5.6773","0.0004","90","","91.788","0.001","90","","889.39","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Co O5 P -","- C7 H9 Co O5 P -","- C28 H36 Co4 O20 P4 -","4","1","","Cai, Zhong-Sheng; Shi, Yi; Bao, Song-Song; Shen, Yang; Xia, Xing-Hua; Zheng, Li-Min","Bioinspired Engineering of Cobalt-Phosphonate Nanosheets for Robust Hydrogen Evolution Reaction","ACS Catalysis","2018","8","5","3895","","10.1021/acscatal.7b04276","","","0.71073","MoKα","","0.0559","0.0339","","","0.0658","0.0721","","","","","","1.007","","","","has coordinates,has disorder","225732","2020-10-21","18:00:00",""
"4515582","10.1881","0.0007","13.7426","0.0011","20.6392","0.0016","90","","90","","90","","2889.7","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N3 O2 P2 Re -","- C25 H40 N3 O2 P2 Re -","- C100 H160 N12 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl","Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.","ACS catalysis","2018","8","5","4009","4016","10.1021/acscatal.8b00153","","x-ray","0.71073","MoKα","","0.0764","0.0484","","","0.0991","0.1115","","","","1.18","1.18","1.11","","","","has coordinates","225733","2020-10-21","18:00:00",""
"4515583","12.047","0.005","17.64","0.007","32.956","0.013","90","","96.116","0.007","90","","6964","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H87 B N3 O2 Y -","- C72 H87 B N3 O2 Y -","- C288 H348 B4 N12 O8 Y4 -","4","1","","Yu, Xiaying; You, Qing; Zhou, Xigeng; Zhang, Lixin","Isoprene Regioblock Copolymerization: Switching the Regioselectivity by the in Situ Ancillary Ligand Transmetalation of Active Yttrium Species","ACS Catalysis","2018","8","5","4465","","10.1021/acscatal.8b00600","","","0.71073","MoKα","","0.1117","0.0676","","","0.1704","0.1913","","","","","","1.017","","","","has coordinates,has disorder","225734","2020-10-21","18:00:00",""
"4515584","7.0996","0.0004","33.5115","0.0018","16.7335","0.0009","90","","90","","90","","3981.2","0.4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.54 N O2.25 -","- C12 H6 In0.545 N O2.26 -","- C96 H48 In4.36 N8 O18.08 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0941","0.0817","","","0.2059","0.2155","","","","","","1.131","","","","has coordinates,has disorder","225735","2020-10-21","18:00:00",""
"4515585","7.125","","33.622","","16.583","","90","","90","","90","","3972.57","","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C12 H6 In0.75 N O2.73 -","- C12 H6 In0.75 N O2.732 -","- C96 H48 In6 N8 O21.856 -","8","0.5","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0445","0.0425","","","0.119","0.1202","","","","","","1.088","","","","has coordinates,has disorder","225736","2020-10-21","18:00:00",""
"4515586","7.0725","0.0001","33.2883","0.0006","16.666","0.0003","90","","90","","90","","3923.7","0.11","293","2","293","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C48 H24 In2 N4 Ni O10 -","- C48 H24 In2 N4 Ni O10 -","- C96 H48 In4 N8 Ni2 O20 -","2","0.125","","Leng, Fucheng; Liu, Hang; Ding, Meili; Lin, Qi-Pu; Jiang, Hai-Long","Boosting Photocatalytic Hydrogen Production of Porphyrinic MOFs: The Metal Location in Metalloporphyrin Matters","ACS Catalysis","2018","8","5","4583","","10.1021/acscatal.8b00764","","","0.71073","MoKα","","0.0453","0.0424","","","0.1285","0.1306","","","","","","1.085","","","","has coordinates","225737","2020-10-21","18:00:00",""
"4515587","18.28107","0.00017","18.28107","0.00017","36.923","0.0005","90","","90","","90","","12339.6","0.2","173","","173","","","","","","","","","7","P 43","P 4cw","78","","","","- C26 H28 F6 Mn N4 O6 S2 -","- C26 H28 F6 Mn N4 O6 S2 -","- C416 H448 F96 Mn16 N64 O96 S32 -","16","4","","Du, Junyi; Miao, Chengxia; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Mechanistic Insights into the Enantioselective Epoxidation of Olefins by Bioinspired Manganese Complexes: Role of Carboxylic Acid and Nature of Active Oxidant","ACS Catalysis","2018","8","5","4528","","10.1021/acscatal.8b00874","","x-ray","1.54184","CuKα","","0.0642","0.0485","","","0.1154","0.1274","","","","","","1.024","","","","has coordinates,has disorder","225738","2020-10-21","18:00:00",""
"4515588","13.414","0.0008","13.786","0.0008","18.1493","0.001","101.69","0.003","106.173","0.002","109.985","0.002","2859.7","0.3","102","2","102","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 B F12 P -","- C28 H24 B F12 P -","- C112 H96 B4 F48 P4 -","4","2","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0679","0.0474","","","0.1106","0.121","","","","","","1.041","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515589","10.6496","0.0004","15.3406","0.0007","18.042","0.0008","90","","95.278","0.002","90","","2935","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 B F12 P -","- C28 H26 B F12 P -","- C112 H104 B4 F48 P4 -","4","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.1012","0.0679","","","0.1511","0.17","","","","","","1.031","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515590","11.7104","0.0003","12.4425","0.0003","12.4488","0.0003","71.092","0.001","69.578","0.001","64.329","0.001","1499.65","0.07","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H27 B2 F12 P -","- C28 H27 B2 F12 P -","- C56 H54 B4 F24 P2 -","2","1","","Boudjelel, Maxime; Sosa Carrizo, E. Daiann; Mallet−Ladeira, Sonia; Massou, Stéphane; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Catalytic Dehydrogenation of (Di)Amine-Boranes with a Geometrically Constrained Phosphine-Borane Lewis Pair","ACS Catalysis","2018","8","5","4459","","10.1021/acscatal.8b00152","","","0.71073","MoKα","","0.0927","0.0628","","","0.1901","0.2248","","","","","","1.052","","","","has coordinates,has disorder","225739","2020-10-21","18:00:00",""
"4515591","11.1904","0.0004","12.5885","0.0003","22.6178","0.0006","90","","99.722","0.001","90","","3140.42","0.16","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H94 Co2 N6 -","- C72 H94 Co2 N6 -","- C144 H188 Co4 N12 -","2","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0624","0.0422","","","0.1067","0.1207","","","","","","1.061","","","","has coordinates","225740","2020-10-21","18:00:00",""
"4515592","17.0369","0.0005","10.7343","0.0003","17.0418","0.0006","90","","93.483","0.001","90","","3110.83","0.17","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H48 Co N2 O Si -","- C31 H48 Co N2 O Si -","- C124 H192 Co4 N8 O4 Si4 -","4","1","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","","0.71073","MoKα","","0.0583","0.04","","","0.0954","0.1053","","","","","","1.017","","","","has coordinates,has disorder","225741","2020-10-21","18:00:00",""
"4515593","12.0633","0.0003","12.0633","0.0003","21.8421","0.0007","90","","90","","90","","3178.53","0.15","100","1","100","1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C31 H45 Cl2 Co Li N2 O2 -","- C31 H45 Cl2 Co Li N2 O2 -","- C124 H180 Cl8 Co4 Li4 N8 O8 -","4","0.5","","Lepori, Clément; Gómez-Orellana, Pablo; Ouharzoune, Allissa; Guillot, Régis; Lledós, Agusti; Ujaque, Gregori; Hannedouche, Jérôme","Well-Defined β-Diketiminatocobalt(II) Complexes for Alkene Cyclohydroamination of Primary Amines","ACS Catalysis","2018","8","5","4446","","10.1021/acscatal.8b00631","","x-ray","0.71073","MoKα","","0.0346","0.0293","","","0.0702","0.0726","","","","","","1.084","","","","has coordinates","225742","2020-10-21","18:00:00",""
"4515594","8.8505","0.0009","21.914","0.002","19.0059","0.0018","90","","100.646","0.002","90","","3622.7","0.6","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 N3 O Si Zn -","- C39 H49 N3 O Si Zn -","- C156 H196 N12 O4 Si4 Zn4 -","4","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0636","0.0424","","","0.0969","0.1048","","","","","","1.012","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515595","14.8856","0.0003","21.731","0.0004","16.0804","0.0002","90","","113.482","0.001","90","","4770.9","0.15","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22.5 H38.5 N3 Zn -","- C22.5 H38.5 N3 Zn -","- C180 H308 N24 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0459","0.0376","","","0.0957","0.102","","","","","","1.0408","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515596","23.041","0.006","10.016","0.003","22.532","0.006","90","","117.531","0.004","90","","4611","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N3 O2 Zn -","- C22 H35 N3 O2 Zn -","- C176 H280 N24 O16 Zn8 -","8","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.1221","0.0536","","","0.1284","0.1725","","","","","","0.891","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515597","21.7365","0.0014","14.2049","0.001","20.3579","0.0013","90","","102.81","0.001","90","","6129.4","0.7","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H86 N6 Zn2 -","- C50 H86 N6 Zn2 -","- C200 H344 N24 Zn8 -","4","0.5","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.0581","0.0434","","","0.1203","0.1277","","","","","","1.046","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515598","12.7688","0.0002","13.881","0.0003","17.4955","0.0003","76.808","0.001","73.779","0.001","84.324","0.001","2896.9","0.09","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H93 N6 O4 Zn2 -","- C55 H93 N6 O4 Zn2 -","- C110 H186 N12 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","synchrotron","","0.0479","0.0434","","","0.1143","0.1181","","","","","","1.0462","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515599","16.1366","0.0003","16.5978","0.0003","23.3164","0.0004","98.9","0.001","90.984","0.001","119.052","0.001","5362.53","0.18","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H86 N6 O2 Zn2 -","- C51 H86 N6 O2 Zn2 -","- C204 H344 N24 O8 Zn8 -","4","2","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","1.34139","GaKα","","0.0559","0.0496","","","0.132","0.138","","","","","","1.012","","","","has coordinates,has disorder","225744","2020-10-21","18:00:00",""
"4515600","13.4707","0.0011","14.5272","0.0013","16.2991","0.0014","88.145","0.002","89.86","0.001","65.496","0.001","2900.6","0.4","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N4 O4 Zn2 -","- C60 H84 N4 O4 Zn2 -","- C120 H168 N8 O8 Zn4 -","2","1","","Feng, Guoqin; Du, Chongyang; Xiang, Li; del Rosal, Iker; Li, Guangyu; Leng, Xuebing; Chen, Eugene Y.-X.; Maron, Laurent; Chen, Yaofeng","Side Arm Twist on Zn-Catalyzed Hydrosilylative Reduction of CO2 to Formate and Methanol Equivalents with High Selectivity and Activity","ACS Catalysis","2018","8","5","4710","","10.1021/acscatal.8b01033","","","0.71073","MoKα","","0.064","0.0385","","","0.0919","0.1024","","","","","","1.032","","","","has coordinates","225744","2020-10-21","18:00:00",""
"4515601","10.82","0.007","12.675","0.007","11.662","0.007","90","","106.559","0.018","90","","1533","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Fe N11 O -","- C10 H12 Fe N11 O -","- C40 H48 Fe4 N44 O4 -","4","1","","Shen, Shou-Jie; Zhu, Cheng-Liang; Lu, Deng-Fu; Xu, Hao","Iron-Catalyzed Direct Olefin Diazidation via Peroxyester Activation Promoted by Nitrogen-Based Ligands.","ACS catalysis","2018","8","5","4473","4482","10.1021/acscatal.8b00821","","","0.71073","MoKα","","0.1335","0.0919","","","0.2621","0.3029","","","","","","0.794","","","","has coordinates","225745","2020-10-21","18:00:00",""
"4515602","10.1006","0.0007","18.0014","0.0013","42.163","0.003","90","","90","","90","","7666.3","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 N4 Ni -","- C44 H54 N4 Ni -","- C352 H432 N32 Ni8 -","8","2","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0689","0.0487","","","0.0911","0.0976","","","","","","1.042","","","","has coordinates","225746","2020-10-21","18:00:00",""
"4515603","26.6781","0.0011","16.5463","0.0007","22.7174","0.0009","90","","90.462","0.002","90","","10027.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H136 Cl3 N9 Ni3 -","- C110 H136 Cl3 N9 Ni3 -","- C440 H544 Cl12 N36 Ni12 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1026","0.1185","","","","","","1.056","","","","has coordinates,has disorder","225747","2020-10-21","18:00:00",""
"4515604","12.855","0.003","21.217","0.004","24.26","0.005","90","","90","","90","","6617","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Cl2 N6 Ni2 -","- C64 H80 Cl2 N6 Ni2 -","- C256 H320 Cl8 N24 Ni8 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.71073","MoKα","","0.0802","0.0475","","","0.0796","0.0867","","","","","","0.952","","","","has coordinates","225748","2020-10-21","18:00:00",""
"4515605","27.4949","0.0015","19.0191","0.0015","16.9558","0.0011","90","","108.589","0.003","90","","8404.1","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H56 Cl N3 Ni -","- C43 H56 Cl N3 Ni -","- C344 H448 Cl8 N24 Ni8 -","8","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.56086","AgKα","","0.0898","0.073","","","0.2","0.2088","","","","","","1.472","","","","has coordinates,has disorder","225749","2020-10-21","18:00:00",""
"4515606","10.5276","0.0013","10.7464","0.0014","18.567","0.002","90","","90","","90","","2100.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VAL1","","","- C22 H37 Ir N P -","- C22 H37 Ir N P -","- C88 H148 Ir4 N4 P4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0145","0.0143","","","0.0354","0.0354","","","","","","1.128","","","","has coordinates","225750","2020-10-21","18:00:00",""
"4515607","14.836","0.005","15.464","0.005","15.385","0.005","90","","114.159","0.006","90","","3220.5","1.8","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 Ir2 N2 O P2 -","- C29 H48 Ir2 N2 O P2 -","- C116 H192 Ir8 N8 O4 P8 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0431","0.033","","","0.0759","0.08","","","","","","1.107","","","","has coordinates,has disorder","225751","2020-10-21","18:00:00",""
"4515608","13.8587","0.0008","23.8714","0.0012","12.5805","0.0009","90","","115.201","0.008","90","","3765.8","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 F6 N6 O9 P Ru2 -","- C34 H26 F6 N6 O9 P Ru2 -","- C136 H104 F24 N24 O36 P4 Ru8 -","4","1","","Daniel, Quentin; Duan, Lele; Timmer, Brian J. J.; Chen, Hong; Luo, Xiaodan; Ambre, Ram; Wang, Ying; Zhang, Biaobiao; Zhang, Peili; Wang, Lei; Li, Fusheng; Sun, Junliang; Ahlquist, Mårten; Sun, Licheng","Water Oxidation Initiated by In Situ Dimerization of the Molecular Ru(pdc) Catalyst","ACS Catalysis","2018","8","5","4375","","10.1021/acscatal.7b03768","","x-ray","0.71073","MoKα","","0.0992","0.0607","","","0.1515","0.1669","","","","","","1.066","","","","has coordinates","225752","2020-10-21","18:00:00",""
"4515609","8.6881","0.0005","9.8467","0.0005","11.0731","0.001","94.586","0.006","91.58","0.006","105.361","0.005","909.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Br N O -","- C21 H22 Br N O -","- C42 H44 Br2 N2 O2 -","2","1","","Bai, Dachang; Xu, Teng; Ma, Chaorui; Zheng, Xin; Liu, Bingxian; Xie, Fang; Li, Xingwei","Rh(III)-Catalyzed Mild Coupling of Nitrones and Azomethine Imines with Alkylidenecyclopropanes via C‒H Activation: Facile Access to Bridged Cycles","ACS Catalysis","2018","8","5","4194","","10.1021/acscatal.8b00746","","","0.71073","MoKα","","0.0612","0.04","","","0.0851","0.0938","","","","","","1.033","","","","has coordinates","225753","2020-10-21","18:00:00",""
"4515610","14.4042","0.0014","3.8522","0.0004","14.6641","0.0014","90","","90","","90","","813.68","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0432","0.0378","","","0.0891","0.0916","","","","","","1.066","","","","has coordinates","225754","2020-10-21","18:00:00",""
"4515611","10.936","0.0005","6.5014","0.0003","14.9916","0.0008","90","","95.8987","0.0016","90","","1060.25","0.09","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 Cl O4 -","- C25 H25 Cl O4 -","- C50 H50 Cl2 O8 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0559","0.048","","","0.1185","0.1243","","","","","","1.079","","","","has coordinates","225755","2020-10-21","18:00:00",""
"4515612","7.2559","0.0013","4.5474","0.0008","13.321","0.002","90","","100.781","0.005","90","","431.77","0.13","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H3 Br Cl I O -","- C6 H3 Br Cl I O -","- C12 H6 Br2 Cl2 I2 O2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0721","0.0702","","","0.2329","0.2358","","","","","","1.16","","","","has coordinates","225756","2020-10-21","18:00:00",""
"4515613","6.3191","0.0003","15.8114","0.0008","21.7404","0.0011","90","","90","","90","","2172.17","0.19","302","2","302","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C96 H64 Cl16 O16 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0446","0.0389","","","0.1118","0.118","","","","","","1.108","","","","has coordinates","225757","2020-10-21","18:00:00",""
"4515614","6.7838","0.0003","16.4432","0.0008","7.2539","0.0003","90","","108.069","0.0011","90","","769.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0403","0.0376","","","0.1228","0.1263","","","","","","1.129","","","","has coordinates","225758","2020-10-21","18:00:00",""
"4515615","13.6694","0.0002","14.6546","0.0002","21.7416","0.0004","90","","104.277","0.0009","90","","4220.76","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Cl O3 -","- C25 H21 Cl O3 -","- C200 H168 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0634","0.0408","","","0.1016","0.1157","","","","","","1.028","","","","has coordinates,has disorder","225759","2020-10-21","18:00:00",""
"4515616","4.1058","0.0004","17.9301","0.0019","12.4296","0.0015","90","","93.138","0.004","90","","913.66","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Br Cl O3 -","- C8 H6 Br Cl O3 -","- C32 H24 Br4 Cl4 O12 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0752","0.06","","","0.1801","0.1859","","","","","","1.279","","","","has coordinates","225760","2020-10-21","18:00:00",""
"4515617","5.6425","0.0005","9.1159","0.0008","11.1839","0.001","106.666","0.002","102.943","0.002","93.95","0.002","531.61","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F2 O Se -","- C12 H8 F2 O Se -","- C24 H16 F4 O2 Se2 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0861","0.0418","","","0.0931","0.1136","","","","","","1.104","","","","has coordinates","225761","2020-10-21","18:00:00",""
"4515618","7.7896","0.0003","13.5178","0.0006","15.0171","0.0006","90","","101.499","0.002","90","","1549.54","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br Cl O2 -","- C7 H4 Br Cl O2 -","- C56 H32 Br8 Cl8 O16 -","8","2","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0496","0.033","","","0.0887","0.0983","","","","","","1.042","","","","has coordinates","225762","2020-10-21","18:00:00",""
"4515619","9.6791","0.0005","7.1917","0.0003","12.2628","0.0005","90","","107.906","0.001","90","","812.26","0.06","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl O3 -","- C19 H17 Cl O3 -","- C38 H34 Cl2 O6 -","2","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0387","0.036","","","0.1","0.1028","","","","","","1.007","","","","has coordinates","225763","2020-10-21","18:00:00",""
"4515620","5.7829","0.0002","20.3532","0.0006","8.3091","0.0003","90","","97.502","0.002","90","","969.61","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl O -","- C12 H9 Cl O -","- C48 H36 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0478","0.04","","","0.1165","0.1248","","","","","","1.052","","","","has coordinates","225764","2020-10-21","18:00:00",""
"4515621","19.7094","0.0009","19.7094","0.0009","6.8557","0.0003","90","","90","","90","","2663.2","0.2","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 B Cl O3 -","- C12 H16 B Cl O3 -","- C96 H128 B8 Cl8 O24 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0613","0.0519","","","0.1317","0.1392","","","","","","1.038","","","","has coordinates,has disorder","225765","2020-10-21","18:00:00",""
"4515622","5.2204","0.0012","11.214","0.003","11.717","0.003","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0641","0.0545","","","0.1707","0.1833","","","","","","1.149","","","","has coordinates","225766","2020-10-21","18:00:00",""
"4515623","32.7811","0.0017","3.926","0.0002","21.7084","0.0012","90","","91.5018","0.0016","90","","2792.9","0.3","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br2 Cl2 O4 -","- C12 H6 Br2 Cl2 O4 -","- C96 H48 Br16 Cl16 O32 -","8","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0649","0.0615","","","0.1967","0.2011","","","","","","1.052","","","","has coordinates","225767","2020-10-21","18:00:00",""
"4515624","12.695","0.0011","13.3351","0.0011","17.1823","0.0015","102.363","0.002","97.011","0.002","92.487","0.002","2812.8","0.4","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H38 B Cl2 F27 Fe N4 O3 S -","- C47 H36 B F27 Fe N4 O3 S -","- C94 H72 B2 F54 Fe2 N8 O6 S2 -","2","1","","Postils, Verònica; Rodríguez, Mònica; Sabenya, Gerard; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Costas, Miquel; Solà, Miquel; Luis, Josep M.","Mechanism of the Selective Fe-Catalyzed Arene Carbon‒Hydrogen Bond Functionalization","ACS Catalysis","2018","8","5","4313","","10.1021/acscatal.7b03935","","","0.71073","MoKα","","0.1055","0.0726","","","0.1656","0.186","","","","","","1.036","","","","has coordinates,has disorder","225768","2020-10-21","18:00:00",""
"4515625","9.0489","0.0015","8.4426","0.0015","15.648","0.003","90","","94.577","0.003","90","","1191.6","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C52 H72 O8 S2 -","2","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0428","0.039","","","0.0958","0.0988","","","","","","1.061","","","","has coordinates","225769","2020-10-21","18:00:00",""
"4515626","8.6633","0.0009","8.4114","0.0009","17.9313","0.0019","90","","99.6888","0.0018","90","","1288","0.2","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Yu, Fei-Le; Bai, Da-Chang; Liu, Xiu-Yan; Jiang, Yang-Jie; Ding, Chang-Hua; Hou, Xue-Long","Pd-Catalyzed Allylic Alkylation of gem-Alkyl,Aryl-Disubstituted Allyl Reagents with Ketones: Diastereoselective Construction of Vicinal Tertiary and Quaternary Carbon Centers","ACS Catalysis","2018","8","4","3317","","10.1021/acscatal.7b04313","","","0.71073","MoKα","","0.0781","0.0477","","","0.1302","0.1539","","","","","","0.929","","","","has coordinates","225770","2020-10-21","18:00:00",""
"4515627","6.3615","0.0003","10.4427","0.0008","15.1313","0.0009","85.229","0.005","87.86","0.004","76.106","0.005","972.24","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N3 O3 S -","- C21 H21 N3 O3 S -","- C42 H42 N6 O6 S2 -","2","1","","Guin, Srimanta; Deb, Arghya; Dolui, Pravas; Chakraborty, Souvik; Singh, Vikas Kumar; Maiti, Debabrata","Promoting Highly Diastereoselective γ-C‒H Chalcogenation of α-Amino Acids and Aliphatic Carboxylic Acids","ACS Catalysis","2018","8","4","2664","","10.1021/acscatal.7b04074","","","0.71073","MoKα","","0.0853","0.0736","","","0.2087","0.235","","","","","","1.089","","","","has coordinates","225771","2020-10-21","18:00:00",""
"4515628","8.793","0.0007","10.1042","0.0008","16.0484","0.0015","90","","90","","90","","1425.8","0.2","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A.","Computationally Guided Design of a Readily Assembled Phosphite‒Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions","ACS Catalysis","2018","8","4","3587","","10.1021/acscatal.7b04192","","","0.7107","MoKα","","0.0279","0.023","","","0.0604","0.0639","","","","","","1.058","","","","has coordinates","225772","2020-10-21","18:00:00",""
"4515629","9.0823","0.0006","10.0446","0.0006","16.7815","0.0011","72.627","0.001","75.846","0.001","89.976","0.001","1412.38","0.16","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C13 H15 B F3 K -","- C13 H15 B F3 K -","- C52 H60 B4 F12 K4 -","4","4","","Gao, De-Wei; Xiao, Yiyang; Liu, Mingyu; Liu, Zhen; Karunananda, Malkanthi K.; Chen, Jason S.; Engle, Keary M.","Catalytic, Enantioselective Synthesis of Allenyl Boronates.","ACS catalysis","2018","8","4","3650","3654","10.1021/acscatal.8b00626","","x-ray","0.71073","MoKα","","0.0331","0.0289","","","0.0715","0.0738","","","","","","1.044","","","","has coordinates","225773","2020-10-21","18:00:00",""
"4515630","6.6275","0.0005","8.0167","0.0007","22.6419","0.0019","90","","90","","90","","1202.98","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H.","Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes","ACS Catalysis","2018","8","4","2629","","10.1021/acscatal.7b04423","","","1.54178","CuKα","","0.0336","0.0334","","","0.0889","0.0892","","","","","","1.154","","","","has coordinates","225774","2020-10-21","18:00:00",""
"4515631","10.4784","0.0005","22.1575","0.001","15.6461","0.0007","90","","105.074","0.003","90","","3507.6","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Cl2 Co2 N4 P4 -","- C70 H110 Cl2 Co2 N4 P4 -","- C140 H220 Cl4 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0424","","","","0.1092","","","","","","1.073","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515632","10.7673","0.0013","29.054","0.004","12.6363","0.0016","90","","117.372","0.003","90","","3510.5","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H110 Co2 N4 P4 -","- C70 H110 Co2 N4 P4 -","- C140 H220 Co4 N8 P8 -","2","0.5","","Suzuki, Tatsuya; Fujimoto, Keisuke; Takemoto, Yoshiyuki; Wasada-Tsutsui, Yuko; Ozawa, Tomohiro; Inomata, Tomohiko; Fryzuk, Michael D.; Masuda, Hideki","Efficient Catalytic Conversion of Dinitrogen to N(SiMe3)3 Using a Homogeneous Mononuclear Cobalt Complex","ACS Catalysis","2018","8","4","3011","","10.1021/acscatal.7b04351","","","0.71075","MoKα","","","0.0857","","","","0.2141","","","","","","1.025","","","","has coordinates","225775","2020-10-21","18:00:00",""
"4515633","9.2161","0.0002","12.7576","0.0003","10.9094","0.0002","90","","95.835","0.002","90","","1276.03","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H34 N6 O3 S -","- C23 H34 N6 O3 S -","- C46 H68 N12 O6 S2 -","2","1","","Nicholls, Rachel L.; McManus, James A.; Rayner, Christopher M.; Morales-Serna, José A.; White, Andrew J. P.; Nguyen, Bao N.","Guanidine-Catalyzed Reductive Amination of Carbon Dioxide with Silanes: Switching between Pathways and Suppressing Catalyst Deactivation","ACS Catalysis","2018","8","4","3678","","10.1021/acscatal.7b04108","","","0.71073","MoKα","","0.048","0.0375","","","0.0821","0.0868","","","","","","1.029","","","","has coordinates","225776","2020-10-21","18:00:00",""
"4515634","15.5099","0.0015","7.5217","0.0008","28.568","0.003","90","","99.09","0.008","90","","3290.9","0.6","273","","273","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C184 H128 O16 -","8","1","","Mondal, Atanu; Hazra, Raju; Grover, Jagdeep; Raghu, Moluguri; Ramasastry, S. S. V.","Organophosphine-Catalyzed Intramolecular Hydroacylation of Activated Alkynes","ACS Catalysis","2018","8","4","2748","","10.1021/acscatal.8b00397","","x-ray","0.71073","MoKα","","0.077","0.0544","","","0.1377","0.1651","","","","","","1.081","","","","has coordinates","225777","2020-10-21","18:00:00",""
"4515635","7.5964","0.0003","16.0907","0.0006","12.1098","0.0005","90","","99.736","0.002","90","","1458.88","0.1","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O -","- C15 H22 Br N O -","- C60 H88 Br4 N4 O4 -","4","2","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0817","0.0374","","","0.0838","0.0963","","","","","","1.011","","","","has coordinates","225778","2020-10-21","18:00:00",""
"4515636","10.573","0.003","16.555","0.004","14.695","0.004","90","","104.784","0.003","90","","2487","1.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 O5 -","- C29 H30 O5 -","- C116 H120 O20 -","4","1","","Liu, Ze-Shui; Qian, Guangyin; Gao, Qianwen; Wang, Peng; Cheng, Hong-Gang; Wei, Qiang; Liu, Qi; Zhou, Qianghui","Palladium/Norbornene Cooperative Catalysis To Access Tetrahydronaphthalenes and Indanes with a Quaternary Center","ACS Catalysis","2018","8","6","4783","","10.1021/acscatal.8b00975","","","0.71073","MoKα","","0.0641","0.0496","","","0.1528","0.1674","","","","","","1.039","","","","has coordinates","225779","2020-10-21","18:00:00",""
"4515637","5.923","0.004","16.864","0.009","14.255","0.008","90","","92.357","0.005","90","","1422.7","1.5","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O5 S -","- C13 H16.62 N O5 S -","- C52 H66.48 N4 O20 S4 -","4","1","","Kishi, Kenta; Takizawa, Shinobu; Sasai, Hiroaki","Phosphine-Catalyzed Dual Umpolung Domino Michael Reaction: Facile Synthesis of Hydroindole- and Hydrobenzofuran-2-Carboxylates","ACS Catalysis","2018","8","6","5228","","10.1021/acscatal.8b01011","","","0.71075","MoKα","","0.0542","0.0432","","","0.1108","0.1183","","","","","","1.086","","","","has coordinates,has disorder","225780","2020-10-21","18:00:00",""
"4515638","15.8128","0.0008","13.0267","0.0007","16.0929","0.0008","90","","98.231","0.001","90","","3280.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 Mo N3 O -","- C37 H47 Mo N3 O -","- C148 H188 Mo4 N12 O4 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0238","0.0233","","","0.0601","0.0604","","","","","","1.06","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515639","32.0833","0.0007","33.7453","0.0007","17.8428","0.0004","90","","90","","90","","19317.7","0.7","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C47 H60 Mo N5 O -","- C47 H60 Mo N5 O -","- C752 H960 Mo16 N80 O16 -","16","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0302","0.0272","","","0.0612","0.0625","","","","","","1.021","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515640","11.264","0.0002","17.5505","0.0002","23.2268","0.0003","90","","115.23","0.001","90","","4153.65","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H65 Mo N3 Si2 -","- C41 H65 Mo N3 Si2 -","- C164 H260 Mo4 N12 Si8 -","4","1","","Joannou, Matthew V.; Bezdek, Máté J.; Chirik, Paul J.","Pyridine(diimine) Molybdenum-Catalyzed Hydrogenation of Arenes and Hindered Olefins: Insights into Precatalyst Activation and Deactivation Pathways","ACS Catalysis","2018","8","6","5276","","10.1021/acscatal.8b00924","","","1.54178","CuKα","","0.0356","0.0304","","","0.0742","0.0767","","","","","","1.079","","","","has coordinates","225781","2020-10-21","18:00:00",""
"4515641","13.8095","0.0006","15.6122","0.0006","19.5369","0.0009","90","","90","","90","","4212.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl6 N P Pd -","- C41 H50 Cl6 N P Pd -","- C164 H200 Cl24 N4 P4 Pd4 -","4","1","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","0.71073","MoKα","","0.0442","0.0387","","","0.0796","0.0827","","","","","","1.03","","","","has coordinates","225782","2020-10-21","18:00:00",""
"4515642","11.39996","0.00016","31.0942","0.0005","19.9369","0.0003","90","","96.7204","0.0015","90","","7018.53","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25.5 H15 Cl5 O3 -","- C25.5 H15 Cl5 O3 -","- C306 H180 Cl60 O36 -","12","6","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","1.54184","CuKα","","0.0603","0.0559","","","0.1435","0.1488","","","","","","1.046","","","","has coordinates,has disorder","225783","2020-10-21","18:00:00",""
"4515643","8.4142","0.0014","14.046","0.002","11.3304","0.0019","90","","104.324","0.003","90","","1297.5","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H34 Cl N O5 -","- C29 H34 Cl N O5 -","- C58 H68 Cl2 N2 O10 -","2","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0516","0.0457","","","0.114","0.1191","","","","","","1.042","","","","has coordinates","225784","2020-10-21","18:00:00",""
"4515644","12.432","0.0014","11.174","0.0013","14.1728","0.0016","90","","96.117","0.002","90","","1957.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.0702","0.0594","","","0.1471","0.1576","","","","","","1.054","","","","has coordinates","225785","2020-10-21","18:00:00",""
"4515645","8.3767","0.0009","12.1262","0.0013","39.035","0.004","90","","93.093","0.003","90","","3959.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C168 H216 N8 O40 -","8","2","","Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong","Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters","ACS Catalysis","2018","8","6","4991","","10.1021/acscatal.8b00866","","","0.71073","MoKα","","0.1135","0.064","","","0.1416","0.1648","","","","","","0.995","","","","has coordinates,has disorder","225786","2020-10-21","18:00:00",""
"4515646","9.6879","0.001","9.8487","0.0011","34.927","0.004","90","","90","","90","","3332.5","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Br N O Si2 -","- C39 H38 Br N O Si2 -","- C156 H152 Br4 N4 O4 Si8 -","4","1","","Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng","Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes","ACS Catalysis","2018","8","6","5306","","10.1021/acscatal.8b00999","","","0.71073","MoKα","","0.0508","0.0421","","","0.0921","0.095","","","","","","1.01","","","","has coordinates","225787","2020-10-21","18:00:00",""
"4515647","16.125","0.001","6.8205","0.0004","13.1663","0.0008","90","","96.287","0.002","90","","1439.33","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","'(Z)-1-tosyl-2,3,4,7,8,9-hexahydro-1H-azonine'","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.0911","0.0599","","","0.1253","0.143","","","","","","1.178","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515648","19.6621","0.0012","8.3363","0.0005","19.9464","0.0013","90","","112.146","0.002","90","","3028.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1312","0.0913","","","0.2932","0.3269","","","","","","1.058","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515649","32.802","0.005","8.4124","0.0014","10.9145","0.0015","90","","90","","90","","3011.8","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C30 H42 N2 O4 S2 -","- C30 H42 N2 O4 S2 -","- C120 H168 N8 O16 S8 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.2129","0.0894","","","0.1912","0.2245","","","","","","0.996","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515650","7.851","0.002","10.524","0.003","15.813","0.004","90","","98.263","0.009","90","","1293","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Liu, Ruzhang; Ge, Hua; Chen, Kuanwei; Xue, Huaiguo","Selectivity in Olefin-Intervened Macrocyclic Ring-Closing Metathesis","ACS Catalysis","2018","8","6","5574","","10.1021/acscatal.8b01084","","","0.71073","MoKα","","0.1565","0.0594","","","0.1213","0.1481","","","","","","1.024","","","","has coordinates","225788","2020-10-21","18:00:00",""
"4515651","8.589","0.004","5.946","0.002","15.333","0.006","90","","100.966","0.004","90","","768.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 O2 P -","- C16 H25 O2 P -","- C32 H50 O4 P2 -","2","1","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0647","0.0469","","","0.1015","0.1085","","","","","","1.023","","","","has coordinates","225789","2020-10-21","18:00:00",""
"4515652","10.2543","0.0006","10.9798","0.0007","13.7645","0.0009","90","","90.59","0.001","90","","1549.67","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 O3 P -","- C16 H23 O3 P -","- C64 H92 O12 P4 -","4","2","","Smaligo, Andrew J.; Vardhineedi, Sriramurthy; Kwon, Ohyun","Carvone-Derived P-Stereogenic Phosphines: Design, Synthesis, and Use in Allene-Imine [3 + 2] Annulation.","ACS catalysis","2018","8","6","5188","5192","10.1021/acscatal.8b01081","","","0.71073","MoKα","","0.0291","0.0277","","","0.0711","0.072","","","","","","1.023","","","","has coordinates","225790","2020-10-21","18:00:00",""
"4515653","7.8069","0.0003","7.8369","0.0002","35.3156","0.0011","90","","90","","90","","2160.68","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl F3 O2 S -","- C25 H18 Cl F3 O2 S -","- C100 H72 Cl4 F12 O8 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0549","0.0536","","","0.1259","0.1264","","","","","","1.197","","","","has coordinates","225791","2020-10-21","18:00:00",""
"4515654","7.7702","0.0004","7.7862","0.0004","17.9926","0.0008","90","","100.144","0.003","90","","1071.54","0.09","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 F3 O2 S -","- C26 H21 F3 O2 S -","- C52 H42 F6 O4 S2 -","2","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0334","0.0317","","","0.0781","0.0792","","","","","","1.066","","","","has coordinates","225792","2020-10-21","18:00:00",""
"4515655","9.3182","0.0004","10.5061","0.0005","24.8751","0.0012","90","","90","","90","","2435.2","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C94.8 H60 Cl8.4 D2.8 F12 O16 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","0.71073","MoKα","","0.1015","0.0694","","","0.1775","0.1966","","","","","","1.048","","","","has coordinates","225793","2020-10-21","18:00:00",""
"4515656","13.218","0.003","8.696","0.002","16.546","0.004","90","","98.483","0.004","90","","1881.1","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.1209","0.0528","","","0.1151","0.145","","","","","","0.987","","","","has coordinates","225794","2020-10-21","18:00:00",""
"4515657","10.559","0.005","8.848","0.004","20.03","0.009","90","","91.424","0.008","90","","1870.7","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Pang, Shuai; Yang, Xing; Cao, Ze-Hun; Zhang, Yu-Long; Zhao, Yan; Huang, Yi-Yong","Intermolecular [2 + 2] Cycloaddition/Isomerization of Allenyl Imides and Unactivated Imines for the Synthesis of 1-Azadienes Catalyzed by a Ni(ClO4)2·6H2O Lewis Acid","ACS Catalysis","2018","8","6","5193","","10.1021/acscatal.8b01454","","","0.71073","MoKα","","0.0969","0.048","","","0.1207","0.1516","","","","","","0.958","","","","has coordinates","225795","2020-10-21","18:00:00",""
"4515658","13.7551","0.0017","18.856","0.002","8.4263","0.0009","90","","90","","90","","2185.5","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H21 Cl2 Fe N9 O2 -","- C16 H21 Cl2 Fe N9 O2 -","- C64 H84 Cl8 Fe4 N36 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.094","0.0664","","","0.1503","0.1609","","","","","","1.108","","","","has coordinates","225796","2020-10-21","18:00:00",""
"4515659","7.6537","0.0013","10.3038","0.0017","11.7","0.002","69.471","0.002","74.774","0.002","75.983","0.002","822.2","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O4 S -","- C15 H19 F3 N2 O4 S -","- C30 H38 F6 N4 O8 S2 -","2","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.0363","0.033","","","0.0847","0.0876","","","","","","1.077","","","","has coordinates","225797","2020-10-21","18:00:00",""
"4515660","6.1287","0.0003","17.2349","0.0008","21.6302","0.0011","90","","90","","90","","2284.74","0.19","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 F3 N2 O4 S -","- C18 H22 Cl3 F3 N2 O4 S -","- C72 H88 Cl12 F12 N8 O16 S4 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0397","0.0386","","","0.0983","0.0991","","","","","","1.029","","","","has coordinates","225798","2020-10-21","18:00:00",""
"4515661","11.8893","0.00018","5.2263","0.00008","24.518","0.0004","90","","96.137","0.0012","90","","1514.75","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 F3 N O2 -","- C14 H22 F3 N O2 -","- C56 H88 F12 N4 O8 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","0.71073","MoKα","","0.069","0.0419","","","0.094","0.107","","","","","","1.015","","","","has coordinates","225799","2020-10-21","18:00:00",""
"4515662","11.579","0.0003","16.9733","0.0005","18.2465","0.0004","90","","90","","90","","3586.05","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F3 N O2 -","- C16 H26 F3 N O2 -","- C128 H208 F24 N8 O16 -","8","2","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0831","0.0515","","","0.1106","0.1265","","","","","","1.01","","","","has coordinates","225800","2020-10-21","18:00:00",""
"4515663","14.9198","0.0003","13.8571","0.0003","9.9498","0.0002","90","","95.4351","0.0015","90","","2047.82","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C76 H100 F12 N8 O16 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0931","0.05","","","0.1118","0.1314","","","","","","1.013","","","","has coordinates","225801","2020-10-21","18:00:00",""
"4515664","12.0872","0.0008","12.5682","0.0008","17.2255","0.0013","76.7","0.004","74.058","0.004","76.399","0.004","2407","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As Co K2 Mo6 N O39.5 -","- C17 H15 As Co K2 Mo6 N O39.5 -","- C34 H30 As2 Co2 K4 Mo12 N2 O79 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0494","0.04","","","0.1122","0.1199","","","","","","1.065","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515665","11.9612","0.0004","12.5318","0.0003","17.1943","0.0004","76.499","0.001","74.053","0.002","76.535","0.002","2370.12","0.12","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H44 As K2 Mo6 N Ni O42 -","- C17 H15 As K2 Mo6 N Ni O42 -","- C34 H30 As2 K4 Mo12 N2 Ni2 O84 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0514","0.0433","","","0.1129","0.1193","","","","","","1.023","","","","has coordinates,has disorder","225802","2020-10-21","18:00:00",""
"4515666","12.1425","0.0002","12.5739","0.0002","17.2226","0.0003","76.443","0.001","74.062","0.001","76.225","0.001","2415.16","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H40 As K2 Mo6 N O41 Zn -","- C17 H15 As K2 Mo6 N O41 Zn -","- C34 H30 As2 K4 Mo12 N2 O82 Zn2 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.053","0.043","","","0.1191","0.1266","","","","","","1.054","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515667","12.2865","0.0007","12.6065","0.0007","17.2145","0.0011","76.319","0.003","73.933","0.003","76.064","0.003","2445.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H39 As K2 Mn Mo6 N O40 -","- C17 H17 As K2 Mn Mo6 N O40 -","- C34 H34 As2 K4 Mn2 Mo12 N2 O80 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0398","0.0362","","","0.1095","0.1125","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515668","16.1055","0.0006","18.5246","0.0007","19.0707","0.0008","75.701","0.002","65.877","0.002","64.845","0.002","4681.8","0.3","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H87 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C18 H42 As2 Co0.5 K3 Mo12 N6 Na O77.5 -","- C36 H84 As4 Co K6 Mo24 N12 Na2 O155 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0859","0.0701","","","0.181","0.1943","","","","","","1.056","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515669","12.6575","0.0008","12.671","0.0007","18.5916","0.0009","105.723","0.003","91.318","0.003","106.19","0.003","2740.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H44 As Co0.5 K5 Mo6 O44.5 -","- C21 H15 As Co0.5 K5 Mo6 O44.5 -","- C42 H30 As2 Co K10 Mo12 O89 -","2","1","","Hou, Yujiao; An, Haiyan; Zhang, Yumeng; Hu, Tao; Yang, Wei; Chang, Shenzhen","Rapid Destruction of Two Types of Chemical Warfare Agent Simulants by Hybrid Polyoxomolybdates Modified by Carboxylic Acid Ligands","ACS Catalysis","2018","8","7","6062","","10.1021/acscatal.8b00972","","","0.71073","MoKα","","0.0577","0.0485","","","0.1293","0.1356","","","","","","1.07","","","","has coordinates","225802","2020-10-21","18:00:00",""
"4515670","11.54858","0.00016","30.1957","0.0004","32.8403","0.0004","64.8392","0.0012","80.3426","0.0011","86.1838","0.0011","10218.4","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H70 N2 Ni O8 -","- C47.5 H70 N2 Ni O8 -","- C380 H560 N16 Ni8 O64 -","8","4","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0554","0.0449","","","0.1174","0.1261","","","","","","1.019","","","","has coordinates,has disorder","225803","2020-10-21","18:00:00",""
"4515671","14.0561","0.0003","14.806","0.0004","22.1265","0.0003","93.854","0.002","102.679","0.002","118.29","0.002","3876.59","0.17","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 N2 Ni O8.5 -","- C95 H88 N2 Ni O8 -","- C190 H176 N4 Ni2 O16 -","2","1","","Nett, Alex J.; Cañellas, Santiago; Higuchi, Yuki; Robo, Michael T.; Kochkodan, Jeanne M.; Haynes, 2nd, M Taylor; Kampf, Jeff W.; Montgomery, John","Stable, Well-Defined Nickel(0) Catalysts for Catalytic C-C and C-N Bond Formation.","ACS catalysis","2018","8","7","6606","6611","10.1021/acscatal.8b02187","","","1.54184","CuKα","","0.0453","0.0436","","","0.1121","0.1144","","","","","","1.035","","","","has coordinates,has disorder","225804","2020-10-21","18:00:00",""
"4515672","14.2005","0.0003","10.38306","0.00019","28.0529","0.0005","90","","102.226","0.0019","90","","4042.44","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C216 H176 N16 O24 -","8","1","","Rej, Supriya; Chatani, Naoto","Rhodium(I)-Catalyzed C8-Alkylation of 1-Naphthylamide Derivatives with Alkenes through a Bidentate Picolinamide Chelation System","ACS Catalysis","2018","8","7","6699","","10.1021/acscatal.8b01675","","","1.54184","CuKα","","0.0398","0.0361","","","0.0941","0.0969","","","","","","1.033","","","","has coordinates","225805","2020-10-21","18:00:00",""
"4515673","10.6361","0.001","16.8158","0.0014","19.6467","0.0018","91.7164","0.0011","105.424","0.002","93.774","0.002","3375.9","0.5","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 I4 N2 S -","- C27 H36 I4 N2 S -","- C108 H144 I16 N8 S4 -","4","2","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.0376","0.0315","","","0.0787","0.0807","","","","","","1.067","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515674","10.689","0.003","18.743","0.005","16.225","0.004","90","","102.555","0.005","90","","3172.9","1.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Cl I3 N2 S -","- C27 H36 Cl I3 N2 S -","- C108 H144 Cl4 I12 N8 S4 -","4","1","","Horibe, Takahiro; Tsuji, Yasutaka; Ishihara, Kazuaki","Thiourea‒I2 as Lewis Base‒Lewis Acid Cooperative Catalysts for Iodochlorination of Alkene with In Situ-Generated I‒Cl","ACS Catalysis","2018","8","7","6362","","10.1021/acscatal.8b01565","","","0.71075","MoKα","","0.1761","0.1261","","","0.3725","0.3947","","","","","","1.266","","","","has coordinates","225807","2020-10-21","18:00:00",""
"4515675","12.9176","0.0003","15.173","0.0003","16.7769","0.0003","90","","90","","90","","3288.25","0.12","240","2","240","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H20 O7 -","- C17 H19 O7 -","- C136 H152 O56 -","8","2","","Shu, Wei; Merino, Estíbaliz; Nevado, Cristina","Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes","ACS Catalysis","2018","8","7","6401","","10.1021/acscatal.8b00707","","x-ray","1.54184","CuKα","","0.0545","0.0527","","","0.1579","0.1606","","","","","","1.053","","","","has coordinates,has disorder","225808","2020-10-21","18:00:00",""
"4515676","16.7493","0.0011","17.9477","0.0013","9.7237","0.0007","90","","105.053","0.001","90","","2822.8","0.3","187","2","187","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N2 Sc Si2 -","- C27 H39 N2 Sc Si2 -","- C108 H156 N8 Sc4 Si8 -","4","1","","Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei","Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives","ACS Catalysis","2018","8","7","6086","","10.1021/acscatal.8b00885","","","0.71073","MoKα","","0.0851","0.0561","","","0.1227","0.1376","","","","","","1.02","","","","has coordinates","225809","2020-10-21","18:00:00",""
"4515677","11.5304","0.0003","11.8994","0.0003","12.6132","0.0004","107.862","0.003","96.62","0.002","114.133","0.003","1444.35","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N3 O3 -","- C33 H41 N3 O3 -","- C66 H82 N6 O6 -","2","1","","Li, Zhenghua; Song, Liangliang; Van Meervelt, Luc; Tian, Guilong; Van der Eycken, Erik V.","Cationic Gold(I)-Catalyzed Cascade Bicyclizations for Divergent Synthesis of (Spiro)polyheterocycles","ACS Catalysis","2018","8","7","6388","","10.1021/acscatal.8b01789","","x-ray","0.71073","MoKα","","0.0608","0.0502","","","0.1232","0.1302","","","","","","0.998","","","","has coordinates","225810","2020-10-21","18:00:00",""
"4515678","9.2626","0.0003","11.273","0.0005","36.0958","0.0014","90","","90","","90","","3769","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MFtBu","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.0621","0.0425","","","0.1126","0.1405","","","","","","1.089","","","","has coordinates","225811","2020-10-21","18:00:00",""
"4515679","7.3859","0.0004","14.0495","0.0006","19.8207","0.001","90","","95.797","0.002","90","","2046.24","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","TR-82_1DIAST","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.1148","0.0497","","","0.1191","0.164","","","","","","1.048","","","","has coordinates","225812","2020-10-21","18:00:00",""
"4515680","6.0252","0.0003","14.9032","0.0008","19.2088","0.0012","90","","93.713","0.006","90","","1721.23","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N3 O2 -","- C22 H17 N3 O2 -","- C88 H68 N12 O8 -","4","1","","Zhai, Shengxian; Qiu, Shuxian; Chen, Xiaoming; Tao, Cheng; Li, Yun; Cheng, Bin; Wang, Huifei; Zhai, Hongbin","Trifunctionalization of Allenes via Cobalt-Catalyzed MHP-Assisted C‒H Bond Functionalization and Molecular Oxygen Activation","ACS Catalysis","2018","8","7","6645","","10.1021/acscatal.8b01720","","x-ray","0.71073","MoKα","","0.0543","0.0446","","","0.1143","0.1252","","","","","","1.042","","","","has coordinates","225813","2020-10-21","18:00:00",""
"4515681","15.8675","0.0016","11.3225","0.0013","16.9255","0.0013","90","","116.905","0.003","90","","2711.7","0.5","99.98","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 -","- C38 H22 Cl2 -","- C152 H88 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0349","0.0327","","","0.0929","0.0953","","","","","","1.06","","","","has coordinates","225814","2020-10-21","18:00:00",""
"4515682","16.6618","0.001","12.3936","0.0006","16.076","0.0014","90","","119.312","0.002","90","","2894.7","0.3","100","","99.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 Cl2 -","- C40 H26 Cl2 -","- C160 H104 Cl8 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0362","0.0343","","","0.0967","0.0983","","","","","","1.052","","","","has coordinates","225815","2020-10-21","18:00:00",""
"4515683","13.048","0.0003","15.9745","0.0004","20.3351","0.0005","69.8393","0.0012","74.7061","0.0011","79.3386","0.0011","3817.17","0.16","100","2","100","2","","","","","","","acetonitrile","3","P -1","-P 1","2","","1,3,4-tri(4-tert-butyl-phenyl)-2-methoxy-6-tert-butyl-naphthalene","","- C45 H54 O -","- C45 H54 O -","- C180 H216 O4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.1128","0.0701","","","0.1753","0.2118","","","","","","1.023","","","","has coordinates,has disorder","266887","2021-07-02","05:32:58",""
"4515684","23.156","0.0008","23.156","0.0008","45.3164","0.0015","90","","90","","90","","24298.7","1.4","100","","99.98","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C115 H108 Cl2 F36 N6 O8 P2 Sb2 -","- C920 H864 Cl16 F288 N48 O64 P16 Sb16 -","8","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.063","0.0538","","","0.1398","0.1455","","","","","","1.088","","","","has coordinates,has disorder","225817","2020-10-21","18:00:00",""
"4515685","24.6931","0.0012","9.8945","0.0005","11.3008","0.0005","90","","107.002","0.001","90","","2640.4","0.2","100","2","100","2","","","","","","","chloroform","2","C 1 2/c 1","-C 2yc","15","","7-(4-methylphenyl)methylene)-fluoreneo[c:c]fluorene- 7-(bis(4-methylphenyl)methylene)","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","1.54178","Cu-Kα","","0.0407","0.0399","","","0.0946","0.0952","","","","","","1.063","","","","has coordinates","225818","2020-10-21","18:00:00",""
"4515686","11.625","0.0008","21.7951","0.0018","24.924","0.002","90","","90","","90","","6314.9","0.8","100","","100","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C228 H212 Au4 Cl4 F72 N12 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0684","0.0554","","","0.153","0.1626","","","","","","1.039","","","","has coordinates","225819","2020-10-21","18:00:00",""
"4515687","14.1224","0.0013","14.3201","0.0006","16.3265","0.0014","111.05","0.006","108.05","0.008","90.835","0.005","2900.2","0.4","100","2","100","2","","","","","","","dichloromethane","10","P -1","-P 1","2","","GON-GC-332","","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","- C85 H148 Au4 Cl4 F24 N4 O10 P4 S2 Sb4 -","1","0.5","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0359","0.0301","","","0.1143","0.1211","","","","","","0.97","","","","has coordinates,has disorder","225820","2020-10-21","18:00:00",""
"4515688","14.5593","0.0007","16.985","0.003","18.089","0.003","90","","90","","90","","4473.2","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","8","P 21 21 21","P 2ac 2ab","19","","2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate","","- C42 H50 Cl2 F6 N2 O4 P Sb -","- C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb -","- C168 H199.999 Cl7.9992 F24 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0796","0.0597","","","0.1454","0.1608","","","","","","1.037","","","","has coordinates,has disorder","225821","2020-10-21","18:00:00",""
"4515689","11.2724","0.0011","25.712","0.002","22.718","0.002","90","","98.349","0.003","90","","6514.7","1","100","","99.99","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C64 H59 Cl2 F18 N3 O4 P Sb -","- C256 H236 Cl8 F72 N12 O16 P4 Sb4 -","4","2","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0964","0.0634","","","0.1463","0.1638","","","","","","1.019","","","","has coordinates,has disorder","225822","2020-10-21","18:00:00",""
"4515690","6.7543","0.0004","9.853","0.0004","31.4363","0.0018","90","","90","","90","","2092.09","0.19","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 Br2 -","- C28 H18 Br2 -","- C112 H72 Br8 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0166","0.0164","","","0.0455","0.0456","","","","","","1.085","","","","has coordinates","225823","2020-10-21","18:00:00",""
"4515691","11.5608","0.0006","22.3675","0.0009","14.1582","0.0008","90","","95.008","0.002","90","","3647.1","0.3","100","2","100","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C63 H59 Au Cl3 F18 N3 O4 P Sb -","- C126 H118 Au2 Cl6 F36 N6 O8 P2 Sb2 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0477","0.0455","","","0.1279","0.1296","","","","","","1.102","","","","has coordinates","225824","2020-10-21","18:00:00",""
"4515692","11.8911","0.0012","20.269","0.002","26.818","0.003","90","","90","","90","","6463.7","1.2","100.02","","100.02","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Au Cl5 F18 N2 O4 P Sb -","- C55.9999 H47.9998 Au Cl4.9998 F18 N2 O4 P Sb -","- C224 H191.999 Au4 Cl19.9992 F72 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0512","0.0439","","","0.1132","0.1173","","","","","","1.035","","","","has coordinates,has disorder","225825","2020-10-21","18:00:00",""
"4515693","17.9011","0.0013","8.3634","0.0004","19.4197","0.001","90","","90.871","0.003","90","","2907.1","0.3","100","","100.01","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H25.94 Cl2.06 -","- C40 H25.946 Cl2.054 -","- C160 H103.784 Cl8.216 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0427","0.0365","","","0.1011","0.1056","","","","","","1.036","","","","has coordinates,has disorder","225826","2020-10-21","18:00:00",""
"4515694","8.0652","0.0006","8.3219","0.0012","14.129","0.0018","77.347","0.006","83.454","0.006","80.93","0.006","910.59","0.19","100.04","","100.04","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C42 H50 N6 -","2","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","x-ray","0.71073","MoKα","","0.0617","0.0506","","","0.1228","0.1297","","","","","","1.048","","","","has coordinates","225827","2020-10-21","18:00:00",""
"4515695","11.8311","0.0015","12.7714","0.0017","12.7734","0.0016","69.209","0.003","81.613","0.003","86.471","0.003","1785","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Li, Deng-Yuan; Liu, Shuo; Chen, Shuang; Wang, An; Zhu, Xiao-Ping; Liu, Pei-Nian","Dual Role of Aryl Iodide in Cascade C‒H Arylation/Amination: Arylation Reagent and Cocatalyst for C‒N Formation","ACS Catalysis","2018","8","7","6407","","10.1021/acscatal.8b01071","","","0.71073","MoKα","","0.0803","0.0557","","","0.1463","0.1643","","","","","","1.009","","","","has coordinates","225828","2020-10-21","18:00:00",""
"4515696","10.811","0.003","16.451","0.004","11.445","0.003","90","","101.668","0.003","90","","1993.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N O4 Zn -","- C20 H26 N O4 Zn -","- C80 H104 N4 O16 Zn4 -","4","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0705","0.049","","","0.1257","0.1355","","","","","","1.046","","","","has coordinates","225829","2020-10-21","18:00:00",""
"4515697","10.2938","0.0013","16.839","0.002","17.23","0.002","73.123","0.002","78.321","0.002","87.036","0.002","2798.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 Ni O4 P -","- C28 H47 Ni O4 P -","- C112 H188 Ni4 O16 P4 -","4","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.053","0.0357","","","0.0843","0.0926","","","","","","1.026","","","","has coordinates","225830","2020-10-21","18:00:00",""
"4515698","7.204","0.004","34.935","0.019","11.091","0.006","90","","92.218","0.008","90","","2789","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 B N O2 -","- C13 H22 B N O2 -","- C104 H176 B8 N8 O16 -","8","2","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.1656","0.0976","","","0.2671","0.3043","","","","","","1.078","","","","has coordinates","225831","2020-10-21","18:00:00",""
"4515699","7.96","0.002","8.085","0.002","9.656","0.002","108.25","0.003","93.812","0.003","94.208","0.003","585.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","- C24 H32 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0334","0.0307","","","0.0808","0.0826","","","","","","1.058","","","","has coordinates","225832","2020-10-21","18:00:00",""
"4515700","10.001","0.003","10.415","0.003","13.862","0.004","76.659","0.004","77.984","0.004","62.798","0.004","1240.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H41 Ni O4 P -","- C25 H41 Ni O4 P -","- C50 H82 Ni2 O8 P2 -","2","1","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.092","0.0526","","","0.1007","0.1176","","","","","","1.017","","","","has coordinates","225834","2020-10-21","18:00:00",""
"4515701","6.3927","0.0015","8.606","0.002","10.965","0.002","86.398","0.004","79.115","0.005","86.957","0.005","590.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","- C22 H22 F6 N2 Ni O4 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0347","0.0305","","","0.072","0.074","","","","","","1.052","","","","has coordinates,has disorder","225835","2020-10-21","18:00:00",""
"4515702","6.736","0.003","8.129","0.003","11.969","0.005","101.952","0.014","99.095","0.008","99.806","0.009","619","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","1","0.5","","Tamang, Sem Raj; Singh, Arpita; Unruh, Daniel K.; Findlater, Michael","Nickel-Catalyzed Regioselective 1,4-Hydroboration of N-Heteroarenes","ACS Catalysis","2018","8","7","6186","","10.1021/acscatal.8b01166","","","0.71073","MoKα","","0.0273","0.0243","","","0.0614","0.0626","","","","","","1.066","","","","has coordinates","225836","2020-10-21","18:00:00",""
"4515703","8.78","0.003","10","0.004","13.272","0.005","101.969","0.005","98.6857","0.0018","103.084","0.005","1086.1","0.7","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O6 Pd -","- C24 H20 N2 O6 Pd -","- C48 H40 N4 O12 Pd2 -","2","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0356","","","","0.1059","","","","","","0.925","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515704","7.939","0.002","16.611","0.004","16.219","0.004","90","","93.262","0.003","90","","2135.4","0.9","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O4 Pd -","- C22 H17 I N2 O4 Pd -","- C88 H68 I4 N8 O16 Pd4 -","4","1","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","0.0418","0.0349","","","0.0948","0.1021","","","","","","0.91","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515705","18.828","0.011","8.059","0.005","12.153","0.008","90","","91.24","0.008","90","","1844","2","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O8 -","- C20 H18 O8 -","- C80 H72 O32 -","4","0.5","","Hirano, Masafumi; Sano, Kosuke; Kanazawa, Yuki; Komine, Nobuyuki; Maeno, Zen; Mitsudome, Takato; Takaya, Hikaru","Mechanistic Insights on Pd/Cu-Catalyzed Dehydrogenative Coupling of Dimethyl Phthalate","ACS Catalysis","2018","8","7","5827","","10.1021/acscatal.8b01095","","","0.71075","MoKα","","","0.0472","","","","0.1394","","","","","","1.031","","","","has coordinates","225837","2020-10-21","18:00:00",""
"4515706","7.258","0.003","18.732","0.007","12.399","0.005","90","","93.746","0.005","90","","1682.1","1.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br2 -","- C21 H18 Br2 -","- C84 H72 Br8 -","4","1","","Su, Xiang; Chen, Bifeng; Wang, Shaohong; Chen, Hui; Chen, Chao","Atom- and Step-Efficient Construction of Five-Membered Carbocycles with Alkenes and Alkynes Catalyzed by AgSbF6","ACS Catalysis","2018","8","9","7760","","10.1021/acscatal.8b02448","","","0.71073","MoKα","","0.0415","0.0389","","","0.1022","0.1118","","","","","","1.156","","","","has coordinates","225838","2020-10-21","18:00:00",""
"4515707","21.4471","0.001","6.4084","0.0003","12.069","0.0005","90","","113.464","0.002","90","","1521.62","0.12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C68 H60 N4 O20 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.0247","0.0247","","","0.0652","0.0653","","","","","","1.045","","","","has coordinates","225839","2020-10-21","18:00:00",""
"4515708","8.8312","0.0004","11.2095","0.0006","16.7904","0.0009","90","","90","","90","","1662.14","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.02","0.0193","","","0.0488","0.0491","","","","","","1.044","","","","has coordinates","225840","2020-10-21","18:00:00",""
"4515709","6.8554","0.0003","18.0992","0.0007","11.1588","0.0004","90","","92.472","0.004","90","","1383.26","0.09","290.04","0.1","290.04","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C68 H48 N8 O16 -","4","1","","Chen, Fei; Lai, Sheng-Qiang; Zhu, Fei-Fei; Meng, Qiang; Jiang, Yu; Yu, Wei; Han, Bing","Cu-Catalyzed Radical Cascade Annulations of Alkyne-Tethered N-Alkoxyamides with Air: Facile Access to Isoxazolidine/1,2-Oxazinane-Fused Isoquinolin-1(2H)-ones","ACS Catalysis","2018","8","9","8925","","10.1021/acscatal.8b02445","","x-ray","1.54184","CuKα","","0.0551","0.0505","","","0.1318","0.1364","","","","","","0.849","","","","has coordinates","225841","2020-10-21","18:00:00",""
"4515710","8.6737","0.0003","8.7731","0.0004","13.6686","0.0006","78.458","0.004","75.85","0.003","88.359","0.003","987.94","0.07","295.32","0.11","295.32","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl Ir N O -","- C18 H29 Cl Ir N O -","- C36 H58 Cl2 Ir2 N2 O2 -","2","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.0481","0.0467","","","0.1164","0.1188","","","","","","1.069","","","","has coordinates","225842","2020-10-21","18:00:00",""
"4515711","12.5365","0.0003","14.4554","0.0004","17.4788","0.0004","90","","103.091","0.003","90","","3085.19","0.14","294.05","0.1","294.05","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O2 S2 -","- C32 H38 N2 O2 S2 -","- C128 H152 N8 O8 S8 -","4","1","","Tan, Guangying; You, Qiulin; You, Jingsong","Iridium-Catalyzed Oxidative Heteroarylation of Arenes and Alkenes: Overcoming the Restriction to Specific Substrates","ACS Catalysis","2018","8","9","8709","","10.1021/acscatal.8b02639","","x-ray","1.54184","CuKα","","0.1174","0.103","","","0.3134","0.3425","","","","","","1.438","","","","has coordinates","225843","2020-10-21","18:00:00",""
"4515712","10.307","0.0013","26.879","0.003","20.89","0.003","90","","101.156","0.002","90","","5678","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12.5 Al Cl F15.5 N -","- C30 H13 Al Cl F15.5 N -","- C240 H104 Al8 Cl8 F124 N8 -","8","2","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.1086","0.0596","","","0.1534","0.1831","","","","","","1.04","","","","has coordinates","225844","2020-10-21","18:00:00",""
"4515713","9.3329","0.0006","10.0874","0.0006","11.22","0.0007","67.672","0.001","88.245","0.001","65.949","0.001","882.58","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N Si -","- C22 H21 N Si -","- C44 H42 N2 Si2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0417","0.0354","","","0.0892","0.093","","","","","","1.016","","","","has coordinates","225845","2020-10-21","18:00:00",""
"4515714","10.4075","0.001","10.6369","0.001","13.0972","0.0012","79.781","0.002","79.01","0.002","71.612","0.002","1339.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 Al F16 N4 -","- C27 H14 Al F16 N4 -","- C54 H28 Al2 F32 N8 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0493","0.0419","","","0.1297","0.1398","","","","","","1.044","","","","has coordinates","225846","2020-10-21","18:00:00",""
"4515715","7.4782","0.0015","17.022","0.004","9.979","0.002","90","","107.975","0.004","90","","1208.3","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H9 Al F15 N -","- C27 H9 Al F15 N -","- C54 H18 Al2 F30 N2 -","2","1","","Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao","Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair","ACS Catalysis","2018","8","9","8765","","10.1021/acscatal.8b01847","","","0.71073","MoKα","","0.0642","0.0489","","","0.1072","0.1157","","","","","","1.057","","","","has coordinates","225847","2020-10-21","18:00:00",""
"4515716","11.7791","0.0011","5.8649","0.0005","21.894","0.002","90","","92.863","0.001","90","","1510.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F3 O2 S2 -","- C15 H11 F3 O2 S2 -","- C60 H44 F12 O8 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.0512","0.0418","","","0.0712","0.0717","","","","","","3.5","","","","has coordinates","225848","2020-10-21","18:00:00",""
"4515717","10.219","0.007","20.254","0.012","10.852","0.007","90","","107.747","0.006","90","","2139","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F4 O3 S2 -","- C21 H20 F4 O3 S2 -","- C84 H80 F16 O12 S8 -","4","1","","Li, Haoyu; Cheng, Zengrui; Tung, Chen-Ho; Xu, Zhenghu","Atom Transfer Radical Addition to Alkynes and Enynes: A Versatile Gold/Photoredox Approach to Thio-Functionalized Vinylsulfones","ACS Catalysis","2018","8","9","8237","","10.1021/acscatal.8b02194","","","0.71073","MoKα","","0.1118","0.0543","","","0.1463","0.1922","","","","","","1.031","","","","has coordinates","225849","2020-10-21","18:00:00",""
"4515718","18.6272","0.0002","10.623","0.0001","23.1001","0.0003","90","","101.192","0.001","90","","4484.04","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Mn N O2 P2 -","- C21 H36 Mn N O2 P2 -","- C168 H288 Mn8 N8 O16 P16 -","8","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","1.54184","CuKα","","0.0414","0.0391","","","0.1116","0.1133","","","","","","1.1","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515719","11.6109","0.0002","18.5885","0.0002","21.5322","0.0003","90","","99.218","0.001","90","","4587.26","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Mn2 N4 O4 P4 -","- C42 H68 Mn2 N4 O4 P4 -","- C168 H272 Mn8 N16 O16 P16 -","4","1","","Zou, You-Quan; Chakraborty, Subrata; Nerush, Alexander; Oren, Dror; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Highly Selective, Efficient Deoxygenative Hydrogenation of Amides Catalyzed by a Manganese Pincer Complex via Metal-Ligand Cooperation.","ACS catalysis","2018","8","9","8014","8019","10.1021/acscatal.8b02902","","","0.71073","MoKα","","0.0426","0.0309","","","0.071","0.0773","","","","","","1.033","","","","has coordinates","225850","2020-10-21","18:00:00",""
"4515720","12.7712","0.0011","19.068","0.0014","15.4049","0.0012","90","","110.526","0.002","90","","3513.3","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H55 Fe N3 P2 Si2 -","- C29 H55 Fe N3 P2 Si2 -","- C116 H220 Fe4 N12 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0672","0.039","","","0.0807","0.0908","","","","","","1.007","","","","has coordinates","225851","2020-10-21","18:00:00",""
"4515721","10.589","0.004","12.811","0.005","15.92","0.006","92.93","0.015","104.249","0.014","99.001","0.013","2058.3","1.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H67 Fe N3 P3 Si2 -","- C35 H67 Fe N3 P3 Si2 -","- C70 H134 Fe2 N6 P6 Si4 -","2","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0619","0.0355","","","0.0806","0.0917","","","","","","0.99","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515722","16.778","0.0009","15.4527","0.0009","16.706","0.0011","90","","99.322","0.002","90","","4274.1","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H58 Fe N4 P2 Si2 -","- C31 H58 Fe N4 P2 Si2 -","- C124 H232 Fe4 N16 P8 Si8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0651","0.0417","","","0.1009","0.1165","","","","","","1.008","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515723","18.6843","0.0014","11.1179","0.0009","18.9515","0.0014","90","","110.665","0.002","90","","3683.5","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H50 Fe N6 P2 -","- C40 H50 Fe N6 P2 -","- C160 H200 Fe4 N24 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0465","0.0365","","","0.0898","0.0963","","","","","","1.021","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515724","18.764","0.002","11.2867","0.0013","20.592","0.002","90","","114.08","0.003","90","","3981.5","0.7","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H58 B Fe N5 O2 P2 -","- C39 H58 B Fe N5 O2 P2 -","- C156 H232 B4 Fe4 N20 O8 P8 -","4","1","","Gorgas, Nikolaus; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl","Iron(II) Bis(acetylide) Complexes as Key Intermediates in the Catalytic Hydrofunctionalization of Terminal Alkynes","ACS Catalysis","2018","8","9","7973","","10.1021/acscatal.8b01942","","","0.71073","MoKα","","0.0585","0.0402","","","0.0934","0.1034","","","","","","1.041","","","","has coordinates,has disorder","225851","2020-10-21","18:00:00",""
"4515725","11.6782","0.0005","8.2226","0.0004","20.44","0.001","90","","99.939","0.005","90","","1933.3","0.16","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cl N O Ru -","- C22 H24 Cl N O Ru -","- C88 H96 Cl4 N4 O4 Ru4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0505","0.0469","","","0.1227","0.1292","","","","","","1.028","","","","has coordinates","225852","2020-10-21","18:00:00",""
"4515726","8.295","0.007","11.086","0.01","21.615","0.016","90","","93.5","0.08","90","","1984","3","295.28","0.11","295.28","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","yjs-zlq-1","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.1258","0.1036","","","0.2167","0.253","","","","","","1.14","","","","has coordinates","225853","2020-10-21","18:00:00",""
"4515727","13.2275","0.0002","10.9193","0.0002","24.4944","0.0004","90","","98.3993","0.0017","90","","3499.9","0.1","293.4","0.5","293.4","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 F6 N2 O2 Ru Sb -","- C33 H39 F6 N2 O2 Ru Sb -","- C132 H156 F24 N8 O8 Ru4 Sb4 -","4","1","","Zhang, Luoqiang; Zhu, Lei; Zhang, Yuming; Yang, Yudong; Wu, Yimin; Ma, Weixin; Lan, Yu; You, Jingsong","Experimental and Theoretical Studies on Ru(II)-Catalyzed Oxidative C‒H/C‒H Coupling of Phenols with Aromatic Amides Using Air as Oxidant: Scope, Synthetic Applications, and Mechanistic Insights","ACS Catalysis","2018","8","9","8324","","10.1021/acscatal.8b02816","","x-ray","1.54184","CuKα","","0.0668","0.0596","","","0.1555","0.1654","","","","","","1.012","","","","has coordinates","225854","2020-10-21","18:00:00",""
"4515728","12.0659","0.0003","12.6901","0.0002","13.3087","0.0003","94.285","0.001","102.738","0.002","90.704","0.002","1981.22","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Br Mn N O4 P2 -","- C47 H43 Br Mn N O4 P2 -","- C94 H86 Br2 Mn2 N2 O8 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0643","0.0612","","","0.161","0.1637","","","","","","1.03","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515729","10.0379","0.0001","11.3687","0.0001","15.6568","0.0002","73.97","0.001","77.542","0.001","72.82","0.001","1623.02","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H31 B Mn N O2 P2 -","- C39 H31 B Mn N O2 P2 -","- C78 H62 B2 Mn2 N2 O4 P4 -","2","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.0505","0.049","","","0.1158","0.1167","","","","","","1.038","","","","has coordinates,has disorder","225855","2020-10-21","18:00:00",""
"4515730","37.5012","0.0005","37.5012","0.0005","11.98047","0.00016","90","","90","","120","","14591.3","0.3","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C39 H31 Mn N2 O2 P2 -","- C39 H31 Mn N2 O2 P2 -","- C702 H558 Mn18 N36 O36 P36 -","18","1","","Daw, Prosenjit; Kumar, Amit; Espinosa-Jalapa, Noel Angel; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Synthesis of Pyrazines and Quinoxalines via Acceptorless Dehydrogenative Coupling Routes Catalyzed by Manganese Pincer Complexes.","ACS catalysis","2018","8","9","7734","7741","10.1021/acscatal.8b02208","","","1.54184","CuKα","","0.054","0.0501","","","0.1434","0.1473","","","","","","1.072","","","","has coordinates","225855","2020-10-21","18:00:00",""
"4515731","9.7404","0.0006","13.3126","0.0008","17.0002","0.001","90","","104.115","0.003","90","","2137.9","0.2","143","","143","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br Cl2 N O Pt -","- C20 H20 Br Cl2 N O Pt -","- C80 H80 Br4 Cl8 N4 O4 Pt4 -","4","1","","Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi","Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts","ACS Catalysis","2018","8","9","7773","","10.1021/acscatal.8b01646","","","0.71075","MoKα","","0.0381","0.0289","","","0.0582","0.0617","","","","","","0.997","","","","has coordinates","225856","2020-10-21","18:00:00",""
"4515732","10.0186","0.0003","10.0186","0.0003","30.9734","0.0011","90","","90","","90","","3108.87","0.17","110","2","110","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H41 Cl2 N Ru S -","- C33 H41 Cl2 N Ru S -","- C132 H164 Cl8 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0314","0.0287","","","0.0571","0.0583","","","","","","1.003","","","","has coordinates","225857","2020-10-21","18:00:00",""
"4515733","16.3382","0.0007","16.5805","0.0007","10.4655","0.0005","90","","90","","90","","2835.1","0.2","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 Cl2 F3 N Ru S -","- C28 H36 Cl2 F3 N Ru S -","- C112 H144 Cl8 F12 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0235","0.0201","","","0.0423","0.0438","","","","","","1.004","","","","has coordinates","225858","2020-10-21","18:00:00",""
"4515734","11.0669","0.0003","14.1689","0.0004","17.6536","0.0005","103.228","0.001","94.276","0.001","100.447","0.001","2630.52","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 Cl2 F3 N Ru S -","- C26 H32 Cl2 F3 N Ru S -","- C104 H128 Cl8 F12 N4 Ru4 S4 -","4","2","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0502","0.0377","","","0.0869","0.0955","","","","","","1.025","","","","has coordinates","225859","2020-10-21","18:00:00",""
"4515735","19.868","0.0007","9.2131","0.0003","17.5258","0.0007","90","","90","","90","","3208","0.2","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H39 Cl4 N Ru S -","- C32 H39 Cl4 N Ru S -","- C128 H156 Cl16 N4 Ru4 S4 -","4","1","","Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel","Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand","ACS Catalysis","2018","8","9","8182","","10.1021/acscatal.8b02122","","","0.71073","MoKα","","0.0296","0.0273","","","0.0596","0.0607","","","","","","1.005","","","","has coordinates","225860","2020-10-21","18:00:00",""
"4515736","12.6411","0.0013","16.3119","0.0016","19.7095","0.0018","90","","106.372","0.003","90","","3899.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 S Y2 -","- C43 H60 S Y2 -","- C172 H240 S4 Y8 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0943","0.0435","","","0.0758","0.0893","","","","","","1.047","","","","has coordinates","225861","2020-10-21","18:00:00",""
"4515737","16.796","0.002","8.4624","0.0013","16.616","0.002","90","","102.549","0.005","90","","2305.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 S Y -","- C25 H33 S Y -","- C100 H132 S4 Y4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0439","0.0323","","","0.0773","0.0836","","","","","","1.037","","","","has coordinates","225862","2020-10-21","18:00:00",""
"4515738","10.343","0.0007","10.6225","0.0007","10.683","0.0006","94.507","0.002","108.927","0.002","92.924","0.002","1103.18","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","- C50 H66 S2 Y2 -","1","0.5","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0501","0.0463","","","0.1549","0.1574","","","","","","1.022","","","","has coordinates","225863","2020-10-21","18:00:00",""
"4515739","9.7426","0.0009","9.7458","0.0008","18.818","0.0014","90","","90.465","0.003","90","","1786.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 S Si -","- C20 H20 S Si -","- C80 H80 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.0449","0.0372","","","0.0948","0.1","","","","","","1.054","","","","has coordinates","225864","2020-10-21","18:00:00",""
"4515740","10.304","0.0007","17.9385","0.0015","11.4674","0.0009","90","","107.757","0.002","90","","2018.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N S Si -","- C23 H21 N S Si -","- C92 H84 N4 S4 Si4 -","4","1","","Luo, Yong; Teng, Huai-Long; Xue, Can; Nishiura, Masayoshi; Hou, Zhaomin","Yttrium-Catalyzed Regioselective α-C‒H Silylation of Methyl Sulfides with Hydrosilanes","ACS Catalysis","2018","8","9","8027","","10.1021/acscatal.8b02405","","","0.71073","MoKα","","0.06","0.0445","","","0.1106","0.1198","","","","","","1.053","","","","has coordinates,has disorder","225865","2020-10-21","18:00:00",""
"4515741","9.6875","0.001","13.7823","0.0016","17.6769","0.0018","90","","90","","90","","2360.1","0.4","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl3 Ir N O3 -","- C21 H25 Cl3 Ir N O3 -","- C84 H100 Cl12 Ir4 N4 O12 -","4","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0494","0.0378","","","0.094","0.0988","","","","","","1.042","","","","has coordinates","225866","2020-10-21","18:00:00",""
"4515742","18.4094","0.0018","18.4094","0.0018","11.3169","0.0007","90","","90","","120","","3321.5","0.5","150","2","150","","","","","","","","","6","P 61","P 61","169","","","","- C21 H25 Cl Ir N O3 -","- C21 H25 Cl Ir N O3 -","- C126 H150 Cl6 Ir6 N6 O18 -","6","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0342","0.0289","","","0.067","0.0686","","","","","","1.051","","","","has coordinates","225867","2020-10-21","18:00:00",""
"4515743","7.421","0.003","16.048","0.006","8.176","0.003","90","","101.174","0.011","90","","955.2","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 Cl N O4 -","- C20 H24 Cl N O4 -","- C40 H48 Cl2 N2 O8 -","2","1","","Schmid, Steven C.; Guzei, Ilia A.; Fernández, Israel; Schomaker, Jennifer M.","Ring Expansion of Bicyclic Methyleneaziridines via Concerted, Near-Barrierless [2,3]-Stevens Rearrangements of Aziridinium Ylides.","ACS catalysis","2018","8","9","7907","7914","10.1021/acscatal.8b02206","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0362","","","0.0774","0.0809","","","","","","1.027","","","","has coordinates","225868","2020-10-21","18:00:00",""
"4515744","16.4612","0.0008","13.7221","0.0007","26.85","0.0013","90","","90","","90","","6064.9","0.5","100","2","100","2","","","","","","","dichloromethane","6","P b c a","-P 2ac 2ab","61","","N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate","","- C29 H43 F6 N P Sb -","- C29 H43 F6 N P Sb -","- C232 H344 F48 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","1.54178","Cu-Kα","","0.0356","0.0339","","","0.089","0.0908","","","","","","1.048","","","","has coordinates,has disorder","225869","2020-10-21","18:00:00",""
"4515745","27.034","0.004","8.1387","0.0011","29.826","0.004","90","","95.017","0.002","90","","6537.2","1.6","100","2","100","2","","","","","","","dichloromthane, tetrahydrofuran","6","C 1 2/c 1","-C 2yc","15","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinyl-pyridinium hexafluoroantimonate","","- C30 H21 F18 N P Sb -","- C30 H21 F18 N P Sb -","- C240 H168 F144 N8 P8 Sb8 -","8","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0643","0.0596","","","0.1159","0.1176","","","","","","1.252","","","","has coordinates,has disorder","225870","2020-10-21","18:00:00",""
"4515746","8.7962","0.0006","27.1915","0.0018","16.076","0.0014","90","","103.535","0.009","90","","3738.3","0.5","100","2","100","2","","","","","","","acetonitrile","8","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate acetonitrile","","- C32 H24 Au Cl F18 N2 P Sb -","- C32 H24 Au Cl F18 N2 P Sb -","- C128 H96 Au4 Cl4 F72 N8 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0307","0.0252","","","0.0601","0.0633","","","","","","1.109","","","","has coordinates,has disorder","225871","2020-10-21","18:00:00",""
"4515747","8.4844","0.0011","13.1717","0.0017","13.5679","0.0017","92.667","0.002","105.963","0.002","100.874","0.002","1423.8","0.3","100","2","100","2","","","","","","","tetrahydrofuran, dichloromethane","7","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinyl-pyridinium hexafluoroantimonate dichloromethane","","- C27 H27 Cl2 F6 N P Sb -","- C27 H27 Cl2 F6 N P Sb -","- C54 H54 Cl4 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0636","0.0544","","","0.1467","0.1546","","","","","","1.029","","","","has coordinates,has disorder","225872","2020-10-21","18:00:00",""
"4515748","10.6409","0.0009","16.737","0.002","17.0626","0.0014","82.428","0.008","84.084","0.005","87.346","0.009","2994.6","0.5","150","2","150","2","","","","","","","dichloromethane, pentane","8","P -1","-P 1","2","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinylchlorogold(i)- pyridinium hexafluoroantimonate","","- C26 H37 Au Cl F6 N P Sb -","- C26 H37 Au Cl F6 N P Sb -","- C104 H148 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0899","0.0587","","","0.1377","0.1562","","","","","","1.049","","","","has coordinates,has disorder","225873","2020-10-21","18:00:00",""
"4515749","13.8885","0.0009","13.3919","0.0006","15.6069","0.0018","90","","112.626","0.006","90","","2679.4","0.4","150","2","150","2","","","","","","","dichloormethane, pentane","6","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinyl-pyridinium hexafluoroantimonate","","- C26 H37 F6 N P Sb -","- C26 H37 F6 N P Sb -","- C104 H148 F24 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0458","0.038","","","0.0948","0.1009","","","","","","1.03","","","","has coordinates,has disorder","225874","2020-10-21","18:00:00",""
"4515750","11.9033","0.0009","8.2433","0.0007","28.535","0.002","90","","99.672","0.003","90","","2760.1","0.4","100","","100.01","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl F6 Ir N P Sb -","- C26 H29 Cl F6 Ir N P Sb -","- C104 H116 Cl4 F24 Ir4 N4 P4 Sb4 -","4","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0573","0.0506","","","0.1086","0.1109","","","","","","1.173","","","","has coordinates","225875","2020-10-21","18:00:00",""
"4515751","10.004","0.0004","10.1489","0.0004","15.7193","0.0009","107.808","0.003","92.182","0.004","112.364","0.003","1383.43","0.12","100","2","100","2","","","","","","","dichloromethane","8","P -1","-P 1","2","","1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate","","- C26 H25 Au Cl F6 N P Sb -","- C26 H25 Au Cl F6 N P Sb -","- C52 H50 Au2 Cl2 F12 N2 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0154","0.0143","","","0.0359","0.0365","","","","","","1.091","","","","has coordinates","225876","2020-10-21","18:00:00",""
"4515752","8.9106","0.0012","12.9646","0.0017","19.744","0.003","73.397","0.002","82.399","0.002","85.849","0.002","2165.1","0.5","100","2","100","2","","","","","","","dichloromethane","9","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate dichloromethane","","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C31.5 H24 Au Cl6 F18 N O2 P Sb -","- C63 H48 Au2 Cl12 F36 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0584","0.054","","","0.1243","0.1264","","","","","","1.114","","","","has coordinates,has disorder","225877","2020-10-21","18:00:00",""
"4515753","11.0227","0.0008","11.4514","0.0009","15.2564","0.0011","69.58","0.003","76.609","0.003","74.008","0.002","1715.2","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H40 O5 -","- C46 H40 O5 -","- C92 H80 O10 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","MoKα","","0.0551","0.0487","","","0.1324","0.1379","","","","","","1.043","","","","has coordinates,has disorder","225878","2020-10-21","18:00:00",""
"4515754","8.3643","0.0009","11.8205","0.0013","13.1583","0.0014","91.321","0.002","104.359","0.002","99.991","0.002","1238.2","0.2","100","2","100","2","","","","","","","dichloromethane, tetrahydrofuran","7","P -1","-P 1","2","","N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate","","- C25 H23 F6 N O2 P Sb -","- C25 H23 F6 N O2 P Sb -","- C50 H46 F12 N2 O4 P2 Sb2 -","2","1","","Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel","N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis","ACS Catalysis","2018","8","11","10457","","10.1021/acscatal.8b03271","","","0.71073","Mo-Kα","","0.0273","0.0229","","","0.0569","0.0591","","","","","","0.96","","","","has coordinates","225879","2020-10-21","18:00:00",""
"4515755","26.96","0.01","8.264","0.003","9.337","0.004","90","","107.363","0.005","90","","1985.5","1.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H21 N O2 S -","- C25 H21 N O2 S -","- C100 H84 N4 O8 S4 -","4","1","","Liu, Xihong; Wang, Pengxin; Bai, Lutao; Li, Dan; Wang, Linqing; Yang, Dongxu; Wang, Rui","Construction of Vicinal All-Carbon Quaternary Stereocenters Enabled by a Catalytic Asymmetric Dearomatization Reaction of β-Naphthols with 3-Bromooxindoles","ACS Catalysis","2018","8","11","10888","","10.1021/acscatal.8b03905","","","0.71073","MoKα","","0.0367","0.0341","","","0.1","0.1048","","","","","","0.999","","","","has coordinates","225880","2020-10-21","18:00:00",""
"4515756","6.4088","0.0002","7.0686","0.0002","19.8625","0.0005","90","","93.865","0.002","90","","897.75","0.04","98","2","98","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N4 O -","- C22 H22 N4 O -","- C44 H44 N8 O2 -","2","1","","Marichev, Kostiantyn O.; Adly, Frady G.; Carranco, Alejandra M.; Garcia, Estevan C.; Arman, Hadi; Doyle, Michael P.","Catalyst Choice for Highly Enantioselective [3 + 3]-Cycloaddition of Enoldiazocarbonyl Compounds","ACS Catalysis","2018","8","11","10392","","10.1021/acscatal.8b03391","","x-ray","0.71073","MoKα","","0.0373","0.036","","","0.0808","0.082","","","","","","1.05","","","","has coordinates","225881","2020-10-21","18:00:00",""
"4515757","25.286","0.005","23.295","0.005","20.693","0.004","90","","127.48","0.03","90","","9673","5","200","","200","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C50.31 H48.22 B Cl1.39 F4 Fe N2 Ni O1.31 S2 -","- C50.307 H48.226 B Cl1.39 F4 Fe N2 Ni O1.306 S2 -","- C402.456 H385.808 B8 Cl11.12 F32 Fe8 N16 Ni8 O10.448 S16 -","8","1","","Brazzolotto, Deborah; Wang, Lianke; Tang, Hao; Gennari, Marcello; Queyriaux, Nicolas; Philouze, Christian; Demeshko, Serhiy; Meyer, Franc; Orio, Maylis; Artero, Vincent; Hall, Michael B.; Duboc, Carole","Tuning Reactivity of Bioinspired [NiFe]-Hydrogenase Models by Ligand Design and Modeling the CO Inhibition Process","ACS Catalysis","2018","8","11","10658","","10.1021/acscatal.8b02830","","x-ray","0.71073","MoKα","","0.0868","0.0666","","","0.1507","0.1615","","","","","","1.241","","","","has coordinates,has disorder","225882","2020-10-21","18:00:00",""
"4515758","9.1903","0.0002","10.9348","0.0003","17.0654","0.0004","90","","90","","90","","1714.97","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","","Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen","Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis","ACS Catalysis","2018","8","11","10599","","10.1021/acscatal.8b02617","","","1.54178","CuKα","","0.0671","0.0655","","","0.167","0.1691","","","","","","1.092","","","","has coordinates","225883","2020-10-21","18:00:00",""
"4515759","12.992","0.003","16.505","0.005","17.872","0.005","90","","102.41","0.01","90","","3742.8","1.8","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H94 F9 Ho N4 O22 S3 -","- C58 H94 F9 Ho N4 O22 S3 -","- C116 H188 F18 Ho2 N8 O44 S6 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","1.54178","CuKα","","0.0368","0.0354","","","0.0923","0.0933","","","","","","1.042","","","","has coordinates,has disorder","225884","2020-10-21","18:00:00",""
"4515760","13.9107","0.0009","13.9185","0.0008","15.4002","0.001","90","","109.507","0.004","90","","2810.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N2 O6 S -","- C30 H32 N2 O6 S -","- C120 H128 N8 O24 S4 -","4","2","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.0536","0.0411","","","0.0879","0.0957","","","","","","1.001","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4515761","9.458","0.003","25.399","0.008","11.67","0.004","90","","93.281","0.012","90","","2798.8","1.6","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C42 H60 Br2 F9 N4 O16 S3 Tm -","- C84 H120 Br4 F18 N8 O32 S6 Tm2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","","0.71073","MoKα","","0.118","0.0778","","","0.1882","0.2152","","","","","","1.028","","","","has coordinates,has disorder","225886","2020-10-21","18:00:00",""
"4515762","9.3322","0.0003","18.7754","0.0005","9.4931","0.0003","90","","107.649","0.003","90","","1585.05","0.09","296.31","0.1","296.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H36 N2 O6 S -","- C36 H36 N2 O6 S -","- C72 H72 N4 O12 S2 -","2","1","","Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines","ACS Catalysis","2018","8","11","10261","","10.1021/acscatal.8b02880","","x-ray","1.54184","CuKα","","0.0515","0.0504","","","0.1282","0.1303","","","","","","1.048","","","","has coordinates","225887","2020-10-21","18:00:00",""
"4515763","12.2999","0.0013","14.3668","0.0016","15.8349","0.0018","90","","90","","90","","2798.2","0.5","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl F N4 O8 -","- C27 H28 Cl F N4 O8 -","- C108 H112 Cl4 F4 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.1043","0.067","","","0.169","0.1906","","","","","","1.031","","","","has coordinates","225888","2020-10-21","18:00:00",""
"4515764","12.4437","0.0012","15.4069","0.0015","15.5019","0.0016","90","","90","","90","","2972","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N4 O8 -","- C27 H28 Cl2 N4 O8 -","- C108 H112 Cl8 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.0631","0.0487","","","0.1304","0.1408","","","","","","1.054","","","","has coordinates,has disorder","225889","2020-10-21","18:00:00",""
"4515765","10.4443","0.0003","14.5326","0.0004","38.8497","0.001","90","","90","","90","","5896.7","0.3","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H31 N5 O7 -","- C30 H31 N5 O7 -","- C240 H248 N40 O56 -","8","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","1.54178","CuKα","","0.045","0.0433","","","0.1034","0.1047","","","","","","1.071","","","","has coordinates","225890","2020-10-21","18:00:00",""
"4515766","11.7118","0.0006","39.9043","0.0017","6.266","0.0003","90","","97.254","0.002","90","","2905","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N O4 S -","- C32 H39 N O4 S -","- C128 H156 N4 O16 S4 -","4","1","","Jiang, Fei; Yuan, Fu-Ru; Jin, Li-Wen; Mei, Guang-Jian; Shi, Feng","Metal-Catalyzed (4 + 3) Cyclization of Vinyl Aziridines withpara-Quinone Methide Derivatives","ACS Catalysis","2018","8","11","10234","","10.1021/acscatal.8b03410","","","0.71073","MoKα","","0.0959","0.0648","","","0.1724","0.2012","","","","","","1.018","","","","has coordinates","225891","2020-10-21","18:00:00",""
"4515767","6.7169","0.0005","11.3747","0.0007","13.8249","0.001","67.899","0.007","87.885","0.006","79.889","0.006","962.96","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Maji, Arun; Reddi, Yernaidu; Sunoj, Raghavan B.; Maiti, Debabrata","Mechanistic Insights on Orthogonal Selectivity in Heterocycle Synthesis","ACS Catalysis","2018","8","11","10111","","10.1021/acscatal.8b02537","","x-ray","0.71073","MoKα","","0.0633","0.0472","","","0.0892","0.0994","","","","","","1.039","","","","has coordinates","225892","2020-10-21","18:00:00",""
"4515768","10.4797","0.0004","13.5923","0.0005","13.9879","0.0006","91.294","0.002","92.227","0.003","91.361","0.002","1989.86","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H51 Bi O8 P Rh -","- C38 H51 Bi O8 P Rh -","- C76 H102 Bi2 O16 P2 Rh2 -","2","1","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0614","0.0408","","","0.0879","0.0959","","","","","","1.02","","","","has coordinates,has disorder","225893","2020-10-21","18:00:00",""
"4515769","22.2169","0.0005","22.2169","0.0005","10.9063","0.0003","90","","90","","90","","5383.2","0.2","200","2","200","","","","","","","","","7","I 4","I 4","79","","","","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C67.84 H95.68 Bi N4 O17.96 Rh S4 -","- C135.68 H191.36 Bi2 N8 O35.92 Rh2 S8 -","2","0.25","","Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry","ACS Catalysis","2018","8","11","10676","","10.1021/acscatal.8b03054","","x-ray","0.71073","MoKα","","0.0444","0.0361","","","0.0913","0.0956","","","","","","1.07","","","","has coordinates,has disorder","225894","2020-10-21","18:00:00",""
"4515770","7.1256","0.0002","13.4641","0.0004","8.7896","0.0003","90","","102.373","0.001","90","","823.69","0.04","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H28 Cl Ir P2 -","- C14 H28 Cl Ir P2 -","- C28 H56 Cl2 Ir2 P4 -","2","0.5","","Ahn, Seihwan; Sorsche, Dieter; Berritt, Simon; Gau, Michael R.; Mindiola, Daniel J.; Baik, Mu-Hyun","Rational Design of a Catalyst for the Selective Monoborylation of Methane","ACS Catalysis","2018","8","11","10021","","10.1021/acscatal.8b02771","","","0.71073","MoKα","","0.0194","0.0163","","","0.034","0.0349","","","","","","1.059","","","","has coordinates,has disorder","225895","2020-10-21","18:00:00",""
"4515771","9.2992","0.0011","15.198","0.0011","12.6751","0.0008","90","","99.38","0.009","90","","1767.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C72 H104 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.1051","0.0647","","","0.1416","0.1775","","","","","","1.053","","","","has coordinates","225896","2020-10-21","18:00:00",""
"4515772","10.5957","0.0009","18.8441","0.0017","7.6415","0.0005","90","","90","","90","","1525.8","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","","Zhang, Bo-Sheng; Li, Yuke; An, Yang; Zhang, Zhe; Liu, Ce; Wang, Xin-Gang; Liang, Yong-Min","Carboxylate Ligand-Exchanged Amination/C(sp3)‒H Arylation Reaction via Pd/Norbornene Cooperative Catalysis","ACS Catalysis","2018","8","12","11827","","10.1021/acscatal.8b04163","","","0.71073","MoKα","","0.0607","0.0469","","","0.0947","0.1048","","","","","","1.064","","","","has coordinates","225897","2020-10-21","18:00:00",""
"4515773","9.097","0.004","12.191","0.005","13.111","0.005","114.466","0.006","95.343","0.007","108.732","0.007","1209.5","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.0828","0.0508","","","0.1369","0.1579","","","","","","1.009","","","","has coordinates","225898","2020-10-21","18:00:00",""
"4515774","12.157","0.003","12.525","0.002","12.945","0.003","90","","91.141","0.005","90","","1970.7","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Zuo, Zhijun; Wang, Hui; Diao, Yunxia; Ge, Yicong; Liu, Jingjing; Luan, Xinjun","Palladium-Catalyzed Aryne Insertion/Arene Dearomatization Domino Reaction: A Highly Chemoselective Route to Spirofluorenes","ACS Catalysis","2018","8","12","11029","","10.1021/acscatal.8b03655","","","0.71073","MoKα","","0.1588","0.0614","","","0.1272","0.1691","","","","","","0.987","","","","has coordinates","225899","2020-10-21","18:00:00",""
"4515775","11.6456","0.0007","5.1414","0.0003","13.0095","0.0007","90","","110.064","0.004","90","","731.67","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Hota, Pradip Kumar; Sau, Samaresh Chandra; Mandal, Swadhin K.","Metal-Free Catalytic Formylation of Amides Using CO2 under Ambient Conditions","ACS Catalysis","2018","8","12","11999","","10.1021/acscatal.8b04023","","","0.71073","MoKα","","0.0775","0.045","","","0.1169","0.1319","","","","","","0.897","","","","has coordinates","225900","2020-10-21","18:00:00",""
"4515776","7.4546","0.0012","13.367","0.002","24.063","0.004","90","","90","","90","","2397.8","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br I N2 O4 S -","- C24 H22 Br I N2 O4 S -","- C96 H88 Br4 I4 N8 O16 S4 -","4","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0322","0.0284","","","0.0682","0.0694","","","","","","1.05","","","","has coordinates","225901","2020-10-21","18:00:00",""
"4515777","6.8374","0.0003","14.8665","0.0006","12.6176","0.0006","90","","105.716","0.0015","90","","1234.61","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N2 O4 S -","- C26 H25 I N2 O4 S -","- C52 H50 I2 N4 O8 S2 -","2","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0204","0.02","","","0.0526","0.0527","","","","","","1.082","","","","has coordinates","225902","2020-10-21","18:00:00",""
"4515778","24.897","0.003","5.8589","0.0006","26.361","0.003","90","","100.161","0.004","90","","3784.9","0.7","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O3 -","- C26 H18 O3 -","- C208 H144 O24 -","8","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0983","0.0532","","","0.0994","0.1152","","","","","","1.018","","","","has coordinates","225903","2020-10-21","18:00:00",""
"4515779","5.8118","0.0008","7.6603","0.001","13.506","0.002","82.491","0.007","89.314","0.007","82.461","0.007","590.97","0.14","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C24 H28 O10 -","2","1","","Lad, Bapurao Sudam; Katukojvala, Sreenivas","Piano-Stool Rhodium Enalcarbenoids: Application to Catalyst-Controlled Metal-Templated Annulations of Diazoenals and 1,3-Dicarbonyls","ACS Catalysis","2018","8","12","11807","","10.1021/acscatal.8b03865","","","0.71073","MoKα","","0.0455","0.0358","","","0.0858","0.0908","","","","","","1.055","","","","has coordinates","225904","2020-10-21","18:00:00",""
"4515780","7.7134","0.0003","7.817","0.0003","7.9908","0.0003","97.754","0.003","108.946","0.003","112.35","0.004","402.67","0.03","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","- C4 H10 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.7107","MoKα","","0.034","0.03","","","0.0642","0.0665","","","","","","1.117","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515781","7.1984","0.0005","9.6255","0.0006","12.8058","0.0008","68.524","0.016","86.291","0.018","81.137","0.018","815.79","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","- C26 H20 Cl8 F6 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0286","0.024","","","0.0559","0.058","","","","","","1.051","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515782","9.6082","0.0006","9.7882","0.0007","10.2905","0.0006","106.301","0.008","106.481","0.008","110.355","0.008","788.82","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","- C24 H34 Cl8 N2 W2 -","1","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0269","0.0246","","","0.0632","0.0638","","","","","","1.239","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515783","9.7378","0.0006","11.39","0.0007","16.7268","0.0009","90","","93.494","0.01","90","","1851.78","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl8 D6 N2 W2 -","- C30 H34 Cl8 D6 N2 W2 -","- C60 H68 Cl16 D12 N4 W4 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0305","","","0.0611","0.0654","","","","","","1.059","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515784","11.3589","0.0005","11.3408","0.0005","11.9422","0.0006","90","","100.845","0.006","90","","1510.91","0.12","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 F3 N O W -","- C10 H10 Cl4 F3 N O W -","- C40 H40 Cl16 F12 N4 O4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","K-L~3~","0.0317","0.0209","","","0.0466","0.0488","","","","","","0.997","","","","has coordinates","225905","2020-10-21","18:00:00",""
"4515785","8.5798","0.0007","14.0708","0.001","17.3875","0.0014","95.674","0.01","98.423","0.009","97.281","0.009","2044.9","0.3","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl4 N O W -","- C16 H25 Cl4 N O W -","- C64 H100 Cl16 N4 O4 W4 -","4","2","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0433","0.0284","","","0.0596","0.0645","","","","","","1.03","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515786","9.5696","0.0003","10.714","0.0003","40.8756","0.0012","90","","90","","90","","4190.9","0.2","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H54 Cl7 N3 W2 -","- C32 H54 Cl7 N3 W2 -","- C128 H216 Cl28 N12 W8 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.1053","0.0926","","","0.1621","0.1673","","","","","","1.287","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515787","15.7347","0.0005","13.6973","0.0004","12.7686","0.0004","90","","90","","90","","2751.93","0.15","120","2","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H45 Cl N P3 W -","- C21 H45 Cl N P3 W -","- C84 H180 Cl4 N4 P12 W4 -","4","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","","0.71073","MoKα","","0.0577","0.0545","","","0.1297","0.1311","","","","","","1.386","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515788","6.3483","0.001","7.2804","0.0011","11.9671","0.0018","90","","93.604","0.01","90","","552","0.15","120","","120","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(phenylimido)trimethyl tungsten chloride","","- C9 H14 Cl N W -","- C9 H14 Cl N W -","- C18 H28 Cl2 N2 W2 -","2","0.5","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0156","0.0152","","","0.0404","0.0405","","","","","","1.323","","","","has coordinates,has disorder","266888","2021-07-02","05:34:22",""
"4515789","10.0824","0.0005","16.3429","0.001","13.3029","0.0007","90","","96.616","0.006","90","","2177.4","0.2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H26 Al Cl4 N W -","- C15 H26 Al Cl4 N W -","- C60 H104 Al4 Cl16 N4 W4 -","4","1","","Messinis, Antonis M.; Wright, William R. H.; Batsanov, Andrei S.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Exploration of Homogeneous Ethylene Dimerization Mediated by Tungsten Mono(imido) Complexes","ACS Catalysis","2018","8","12","11235","","10.1021/acscatal.8b02201","","x-ray","0.71073","MoKα","","0.0198","0.0161","","","0.0342","0.0351","","","","","","1.034","","","","has coordinates,has disorder","225905","2020-10-21","18:00:00",""
"4515790","14.4162","0.0002","32.8597","0.0006","20.2434","0.0004","90","","109.886","0.002","90","","9017.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H120 Co2 N7 O34 V W9 -","- C56 H120 Co2 N7 O34 V W9 -","- C224 H480 Co8 N28 O136 V4 W36 -","4","1","","Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L.","Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System","ACS Catalysis","2018","8","12","11952","","10.1021/acscatal.7b01030","","x-ray","0.71073","MoKα","","0.1281","0.1151","","","0.2831","0.2904","","","","","","1.163","","","","has coordinates,has disorder","225906","2020-10-21","18:00:00",""
"4515791","9.9646","0.0015","31.521","0.005","6.9339","0.0007","90","","101.603","0.012","90","","2133.4","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Wang, Huifei; Qiu, Shuxian; Wang, Sasa; Zhai, Hongbin","Pd-Catalyzed Umpolung of π‒Allylpalladium Intermediates: Assembly of All-Carbon α-Vinyl Quaternary Aldehydes through C(sp3)‒C(sp3) Coupling","ACS Catalysis","2018","8","12","11960","","10.1021/acscatal.8b03814","","x-ray","1.54184","CuKα","","0.1276","0.0965","","","0.2589","0.2933","","","","","","1.046","","","","has coordinates","225907","2020-10-21","18:00:00",""
"4515792","11.7665","0.0011","26.084","0.003","21.832","0.0018","90","","92.097","0.003","90","","6696.1","1.1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","shs302m","","","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C60 H42 Br2 Cu F12 N6 O8 Sb2 -","- C240 H168 Br8 Cu4 F48 N24 O32 Sb8 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.2371","0.1755","","","0.4966","0.5348","","","","","","1.976","","","","has coordinates,has disorder","225908","2020-10-21","18:00:00",""
"4515793","26.796","0.002","14.7426","0.0014","22.903","0.003","90","","114.796","0.0015","90","","8213.5","1.5","103","2","103","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C76 H92 Br2 Cu F6 N12 O15 P -","- C76 H92 Br2 Cu F6 N12 O15 P -","- C304 H368 Br8 Cu4 F24 N48 O60 P4 -","4","0.5","","Ng, Yik Yie; Tan, Lisa Jiaying; Ng, Shue Mei; Chai, Yoke Tin; Ganguly, Rakesh; Du, Yonghua; Yeow, Edwin Kok Lee; Soo, Han Sen","Spectroscopic Characterization and Mechanistic Studies on Visible Light Photoredox Carbon‒Carbon Bond Formation by Bis(arylimino)acenaphthene Copper Photosensitizers","ACS Catalysis","2018","8","12","11277","","10.1021/acscatal.8b02502","","","0.71073","MoKα","","0.1944","0.0866","","","0.2333","0.2711","","","","","","0.935","","","","has coordinates,has disorder","225909","2020-10-21","18:00:00",""
"4515794","5.6607","0.0011","8.2437","0.0016","10.596","0.002","96.24","0.03","99.41","0.03","96.49","0.03","480.59","0.17","113","2","113","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","- C24 H18 Br N2 O -","1","1","","Tong, Hua-Rong; Zheng, Sujuan; Li, Xinghua; Deng, Zhiqiang; Wang, Hao; He, Gang; Peng, Qian; Chen, Gong","Pd(0)-Catalyzed Bidentate Auxiliary Directed Enantioselective Benzylic C‒H Arylation of 3-Arylpropanamides Using the BINOL Phosphoramidite Ligand","ACS Catalysis","2018","8","12","11502","","10.1021/acscatal.8b03654","","","0.71073","MoKα","","0.0557","0.0352","","","0.0574","0.0612","","","","","","0.799","","","","has coordinates","225910","2020-10-21","18:00:00",""
"4515795","11.3157","0.0004","11.3157","0.0004","31.5787","0.0014","90","","90","","90","","4043.5","0.3","100","","99.97","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C40 H32 N12 Ni2 -","- C40 H32 N12 Ni2 -","- C160 H128 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C–H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.02","0.0196","","","0.0534","0.0536","","","","","","1.047","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4515796","13.3888","0.0013","8.0065","0.0008","22.9811","0.0017","90","","95.656","0.003","90","","2451.5","0.4","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F N3 -","- C14 H14 F N3 -","- C112 H112 F8 N24 -","8","2","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0549","0.0464","","","0.1263","0.1331","","","","","","1.04","","","","has coordinates","225912","2020-10-21","18:00:00",""
"4515797","9.5253","0.0004","16.5175","0.0007","22.4483","0.001","90","","90","","90","","3531.9","0.3","99.97","","99.97","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C40 H28 F4 N12 Ni2 -","- C40 H28 F4 N12 Ni2 -","- C160 H112 F16 N48 Ni8 -","4","0.5","","Ghorai, Debasish; Finger, Lars H.; Zanoni, Giuseppe; Ackermann, Lutz","Bimetallic Nickel Complexes for Aniline C‒H Alkylations","ACS Catalysis","2018","8","12","11657","","10.1021/acscatal.8b03770","","","0.71073","MoKα","","0.0701","0.0678","","","0.155","0.1558","","","","","","1.353","","","","has coordinates,has disorder","225913","2020-10-21","18:00:00",""
"4515798","11.1442","0.0012","12.9041","0.0013","13.9829","0.0014","101.643","0.004","97.123","0.004","109.481","0.004","1816.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(BINAP)CuSCF3","","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","- C90 H64 Cu2 F6 P4 S2 -","1","0.5","","He, Jian; Chen, Caiyou; Fu, Gregory C.; Peters, Jonas C.","Visible-Light-Induced, Copper-Catalyzed Three-Component Coupling of Alkyl Halides, Olefins, and Trifluoromethylthiolate to Generate Trifluoromethyl Thioethers.","ACS catalysis","2018","8","12","11741","11748","10.1021/acscatal.8b04094","","","0.71073","MoKα","","0.0618","0.0405","","","0.1041","0.1151","","","","","","1.055","","","","has coordinates","225914","2020-10-21","18:00:00",""
"4515799","10.1167","0.0017","9.2912","0.0016","10.2864","0.0016","90","","105.881","0.005","90","","930","0.3","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Fe S2 -","- C24 H18 Fe S2 -","- C48 H36 Fe2 S4 -","2","1","","Xu, Bing-Bin; Ye, Jie; Yuan, Yu; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric C‒H Arylation for the Synthesis of Planar Chiral Benzothiophene-Fused Ferrocenes","ACS Catalysis","2018","8","12","11735","","10.1021/acscatal.8b03912","","","0.71073","MoKα","","0.057","0.035","","","0.0615","0.0664","","","","","","1.013","","","","has coordinates","225915","2020-10-21","18:00:00",""
"4515800","17.8919","0.0006","12.6768","0.0004","19.8115","0.0007","90","","114.361","0.002","90","","4093.4","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Cl N4 Ni O P -","- C45 H51 Cl N4 Ni O P -","- C180 H204 Cl4 N16 Ni4 O4 P4 -","4","1","","Wang, Ting-Hsuan; Ambre, Ram; Wang, Qing; Lee, Wei-Chih; Wang, Pen-Cheng; Liu, Yuhua; Zhao, Lili; Ong, Tiow-Gan","Nickel-Catalyzed Heteroarenes Cross Coupling via Tandem C‒H/C‒O Activation","ACS Catalysis","2018","8","12","11368","","10.1021/acscatal.8b03436","","","0.71073","MoKα","","0.0877","0.0448","","","0.0729","0.0855","","","","","","1.048","","","","has coordinates","225917","2020-10-21","18:00:00",""
"4515801","9.8622","0.0009","17.5716","0.0013","19.3465","0.0016","90","","90","","90","","3352.6","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl2 N4 W -","- C34 H44 Cl2 N4 W -","- C136 H176 Cl8 N16 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0409","0.0297","","","0.0559","0.0595","","","","","","0.998","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515802","10.5486","0.0009","16.4202","0.0014","17.086","0.0013","90","","90","","90","","2959.5","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl2 N2 P W -","- C27 H43 Cl2 N2 P W -","- C108 H172 Cl8 N8 P4 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0711","0.0731","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515803","12.0005","0.0005","12.4893","0.0005","13.5857","0.0006","90","","90","","90","","2036.2","0.15","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F6 N2 O2 W -","- C16 H14 Cl2 F6 N2 O2 W -","- C64 H56 Cl8 F24 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.058","0.0486","","","0.129","0.1377","","","","","","1.062","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515804","32.8492","0.0013","32.8492","0.0013","20.7376","0.0009","90","","90","","120","","19379.3","1.4","120","","120","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C52.4 H45 Cl2 N2 O2.2 W -","- C52 H44 Cl2 N2 O2 W -","- C936 H792 Cl36 N36 O36 W18 -","18","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0752","0.0414","","","0.0761","0.084","","","","","","0.965","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515805","12.5254","0.0006","27.3985","0.0015","9.0867","0.0005","90","","105.516","0.005","90","","3004.7","0.3","120","2","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 F18 N2 O2 W -","- C22 H14 Cl2 F18 N2 O2 W -","- C88 H56 Cl8 F72 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0265","0.0228","","","0.0482","0.0493","","","","","","1.119","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515806","7.3379","0.0003","7.8387","0.0004","17.8616","0.0008","87.953","0.007","81.828","0.007","87.079","0.007","1015.22","0.08","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H10 Cl2 F10 N2 O2 W -","- C16 H10 Cl2 F10 N2 O2 W -","- C32 H20 Cl4 F20 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0247","0.02","","","0.0451","0.0464","","","","","","1.036","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515807","13.4052","0.0006","9.8029","0.0006","18.7197","0.0009","90","","109.016","0.008","90","","2325.7","0.2","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 N2 O2 W -","- C19 H34 Cl2 N2 O2 W -","- C76 H136 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0301","0.025","","","0.055","0.0574","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515808","9.8343","0.0006","9.9604","0.0006","13.7645","0.0008","70.528","0.008","85.509","0.008","71.846","0.008","1207.4","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Cl2 N2 O2 W -","- C20 H36 Cl2 N2 O2 W -","- C40 H72 Cl4 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.0306","0.0266","","","0.0662","0.069","","","","","","1.042","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515809","9.0974","0.0005","12.8175","0.0008","14.1008","0.001","112.357","0.009","90.965","0.009","99.035","0.009","1496.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C27.5 H43.75 Cl2.5 N2 O2 W -","- C55 H87.5 Cl5 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","","0.03","0.0248","","","0.0576","0.0595","","","","","","1.046","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515810","12.1544","0.0012","10.4027","0.0011","24.447","0.002","90","","91.001","0.009","90","","3090.6","0.5","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl5 N2 O2 W -","- C28 H35 Cl5 N2 O2 W -","- C112 H140 Cl20 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0202","0.018","","","0.0387","0.0396","","","","","","1.052","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515811","8.8303","0.0005","11.5526","0.0006","12.8453","0.0007","77.061","0.006","85.454","0.006","74.916","0.006","1232.81","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl2 F3 N2 O2 W -","- C22 H29 Cl2 F3 N2 O2 W -","- C44 H58 Cl4 F6 N4 O4 W2 -","2","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0295","0.0229","","","0.0468","0.0487","","","","","","1.017","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515812","16.4344","0.0006","10.2454","0.0003","17.7291","0.0007","90","","90","","90","","2985.17","0.18","120","2","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H32 Cl4 N4 O6 W -","- C23 H32 Cl4 N4 O6 W -","- C92 H128 Cl16 N16 O24 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","","0.71073","MoKα","K-L~3~","0.0332","0.0266","","","0.0578","0.0607","","","","","","1.05","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515813","16.2309","0.0009","10.3469","0.0007","22.3012","0.0013","90","","103.618","0.011","90","","3640","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 N2 O2 W -","- C40 H44 Cl2 N2 O2 W -","- C160 H176 Cl8 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","K-L~3~","0.0474","0.028","","","0.0533","0.0582","","","","","","0.936","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515814","8.535","0.003","10.595","0.004","11.444","0.004","79.5","0.006","87.548","0.007","81.464","0.007","1006.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1168","0.0651","","","0.1855","0.2245","","","","","","0.8733","","","","has coordinates","225919","2020-10-21","18:00:00",""
"4515815","9.737","0.004","10.551","0.004","11.09","0.004","68.032","0.007","80.699","0.007","75.858","0.008","1021.5","0.7","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.1313","0.0715","","","0.1845","0.2193","","","","","","1.027","","","","has coordinates","225920","2020-10-21","18:00:00",""
"4515816","8.9557","0.0014","9.9317","0.0015","13.533","0.003","90","","104.289","0.002","90","","1166.5","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C54 H66 N2 O8 -","2","1","","Li, Guo-Xing; Hu, Xiafei; He, Gang; Chen, Gong","Photoredox-Mediated Minisci-type Alkylation of N-Heteroarenes with Alkanes with High Methylene Selectivity","ACS Catalysis","2018","8","12","11847","","10.1021/acscatal.8b04079","","","0.71073","MoKα","","0.059","0.0523","","","0.146","0.1537","","","","","","1.106","","","","has coordinates","225921","2020-10-21","18:00:00",""
"4515817","15.878","0.002","10.9673","0.0015","16.462","0.002","90","","90.174","0.002","90","","2866.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O3 Os P2 -","- C28 H44 O3 Os P2 -","- C112 H176 O12 Os4 P8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique","Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism","ACS Catalysis","2018","8","12","11314","","10.1021/acscatal.8b02370","","","0.71073","MoKα","","0.0744","0.0363","","","0.0832","0.1004","","","","","","1.06","","","","has coordinates,has disorder","225922","2020-10-21","18:00:00",""
"4515818","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","225923","2020-10-21","18:00:00",""
"4515819","11.4924","0.0008","18.4018","0.0013","20.7858","0.0015","90","","90","","90","","4395.8","0.5","133","2","133","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F3 Fe N2 O6 P Pd S -","- C47 H44 F3 Fe N2 O6 P Pd S -","- C188 H176 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0381","0.0328","","","0.0748","0.0776","","","","","","1.013","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4515820","11.5846","0.0011","16.3753","0.0015","25.133","0.002","90","","90","","90","","4767.8","0.7","293","2","293","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C192 H180 Cl12 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0807","0.0627","","","0.1439","0.1529","","","","","","0.978","","","","has coordinates","225925","2020-10-21","18:00:00",""
"4515821","14.2235","0.001","16.3932","0.0011","19.5487","0.0014","90","","98.023","0.001","90","","4513.5","0.5","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H61 Fe Ni O P2 -","- C53 H61 Fe Ni O P2 -","- C212 H244 Fe4 Ni4 O4 P8 -","4","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54178","CuKα","","0.0304","0.0255","","","0.0673","0.0689","","","","","","1.059","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515822","23.2567","0.0004","16.9768","0.0002","21.0881","0.0005","90","","106.649","0.002","90","","7977","0.3","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 Fe Ni P2 -","- C43 H39 Fe Ni P2 -","- C344 H312 Fe8 Ni8 P16 -","8","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","1.54184","CuKα","","0.0404","0.0348","","","0.0909","0.0951","","","","","","1.035","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515823","14.0344","0.0009","13.358","0.0009","23.5713","0.0019","90","","95.985","0.007","90","","4394.9","0.5","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C56 H53 Fe Ni P2 -","- C56 H53 Fe Ni P2 -","- C224 H212 Fe4 Ni4 P8 -","4","0.5","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.0778","0.0475","","","0.1098","0.1246","","","","","","1.026","","","","has coordinates,has disorder","225926","2020-10-21","18:00:00",""
"4515824","10.4283","0.0005","13.6108","0.0006","19.5796","0.001","77.34","0.004","81.336","0.004","88.445","0.004","2680.5","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H67 Br Fe Ni P2 -","- C63 H67 Br Fe Ni P2 -","- C126 H134 Br2 Fe2 Ni2 P4 -","2","1","","Beromi, Megan Mohadjer; Banerjee, Gourab; Brudvig, Gary W.; Hazari, Nilay; Mercado, Brandon Q.","Nickel(I) Aryl Species: Synthesis, Properties, and Catalytic Activity.","ACS catalysis","2018","8","3","2526","2533","10.1021/acscatal.8b00546","","","0.71073","MoKα","","0.1116","0.0828","","","0.2071","0.2321","","","","","","1.019","","","","has coordinates","225926","2020-10-21","18:00:00",""
"4515825","17.4154","0.0014","17.0027","0.0015","9.3236","0.0008","90","","90","","90","","2760.8","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H24 N6 O4 Ru -","- C31 H24 N6 O4 Ru -","- C124 H96 N24 O16 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0344","0.0266","","","0.058","0.0607","","","","","","1.035","","","","has coordinates","225927","2020-10-21","18:00:00",""
"4515826","11.7638","0.0009","16.7628","0.0011","15.8332","0.0011","90","","107.656","0.002","90","","2975.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H28 N5 O6.5 Ru -","- C28.5 H28 N5 O6.5 Ru -","- C114 H112 N20 O26 Ru4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.71073","MoKα","","0.1135","0.0632","","","0.1475","0.1761","","","","","","1.018","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515827","17.9909","0.0003","22.189","0.0004","15.3463","0.0002","90","","90","","90","","6126.24","0.17","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C55 H48 Ce N15 O26 Ru2 -","- C55 H48 Ce N15 O26 Ru2 -","- C220 H192 Ce4 N60 O104 Ru8 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Pipelier, Muriel; Lebreton, Jacques; Dubreuil, Didier; Benet-Buchholz, Jordi; Sala, Xavier; Tessier, Arnaud; Llobet, Antoni","The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation","ACS Catalysis","2018","8","3","2039","","10.1021/acscatal.7b03638","","","0.7107","MoKα","","0.0388","0.0345","","","0.0888","0.0907","","","","","","1.141","","","","has coordinates,has disorder","225927","2020-10-21","18:00:00",""
"4515828","22.2892","0.0009","22.2235","0.0008","15.7911","0.0007","90","","101.936","0.001","90","","7652.9","0.5","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2.778 H2.333 Cu0.111 N0.444 O0.778 S0.222 -","- C2.77778 H2.33333 Cu0.111111 N0.444444 O0.777778 S0.222222 -","- C200 H168 Cu8 N32 O56 S16 -","72","9","","Zhang, Guiyang; Yang, Huimin; Fei, Honghan","Unusual Missing Linkers in an Organosulfonate-Based Primitive‒Cubic (pcu)-Type Metal‒Organic Framework for CO2 Capture and Conversion under Ambient Conditions","ACS Catalysis","2018","8","3","2519","","10.1021/acscatal.7b04189","","","0.71073","","","0.0869","0.0746","","","","0.2079","","","","","","1.0744","","","","has coordinates","225928","2020-10-21","18:00:00",""
"4515830","12.5286","0.0009","9.981","0.0006","16.3134","0.0014","90","","107.132","0.008","90","","1949.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C92 H64 N16 O4 -","4","1","","Panda, Subhankar; Pradhan, Nirmalya; Manna, Debasis","Ring-Opening of Indoles: An Unconventional Route for the Transformation of Indoles to 1 H-Pyrazoles Using Lewis Acid.","ACS combinatorial science","2018","20","10","573","578","10.1021/acscombsci.8b00071","","","0.71073","MoKα","","0.1314","0.0644","","","0.1289","0.1759","","","","","","1.024","","","","has coordinates","288256","2023-12-12","15:52:13",""
"4515831","8.6461","0.0003","9.1906","0.0003","20.9044","0.0008","90","","90","","90","","1661.12","0.1","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Lei, Jie; Xu, Zhi-Gang; Tang, Dian-Yong; Li, Yong; Xu, Jia; Li, Hong-Yu; Zhu, Jin; Chen, Zhong-Zhu","Acid-Promoted One-Pot Synthesis of Substituted Furan and 6-Methylpyrazin-2(1 H)-one Derivatives via Allene Intermediate Formed in Situ.","ACS combinatorial science","2018","20","5","292","297","10.1021/acscombsci.8b00005","","x-ray","0.71073","MoKα","","0.0587","0.0446","","","0.0882","0.0961","","","","","","1.043","","","","has coordinates","225931","2020-10-21","18:00:00",""
"4515832","14.7666","0.0012","20.376","0.0011","7.0357","0.0004","90","","90","","90","","2116.9","0.2","123","2","123","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C104 H88 N24 O8 -","8","1","","Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.","A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.","ACS combinatorial science","2018","20","5","256","260","10.1021/acscombsci.8b00032","","","1.54178","CuKα","","0.0251","0.0244","","","0.0618","0.0626","","","","","","1.069","","","","has coordinates","225932","2020-10-21","18:00:00",""
"4515833","3.9214","0.0003","11.8486","0.001","13.0394","0.0011","63.424","0.002","86.421","0.002","87.903","0.002","540.76","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br N3 O -","- C12 H8 Br N3 O -","- C24 H16 Br2 N6 O2 -","2","1","","Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.","A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.","ACS combinatorial science","2018","20","5","256","260","10.1021/acscombsci.8b00032","","","1.54178","CuKα","","0.0207","0.0205","","","0.0526","0.0527","","","","","","1.046","","","","has coordinates","225933","2020-10-21","18:00:00",""
"4515834","10.0456","0.0008","7.8337","0.0006","21.6495","0.0016","90","","100.829","0.003","90","","1673.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F3 N3 O -","- C20 H14 F3 N3 O -","- C80 H56 F12 N12 O4 -","4","1","","Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.","A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.","ACS combinatorial science","2018","20","5","256","260","10.1021/acscombsci.8b00032","","","1.54178","CuKα","","0.0465","0.0411","","","0.1089","0.1137","","","","","","1.042","","","","has coordinates","225934","2020-10-21","18:00:00",""
"4515835","9.3064","0.0006","9.4101","0.0006","12.8642","0.0008","90.662","0.002","105.308","0.002","100.426","0.002","1066.57","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","2","","Schmitt, Daniel C.; Niljianskul, Nootaree; Sach, Neal W.; Trujillo, John I.","A Parallel Approach to 7-(Hetero)arylpyrazolo[1,5- a]pyrimidin-5-ones.","ACS combinatorial science","2018","20","5","256","260","10.1021/acscombsci.8b00032","","","1.54178","CuKα","","0.045","0.0399","","","0.1167","0.1213","","","","","","1.093","","","","has coordinates","225935","2020-10-21","18:00:00",""
"4515836","13.3492","0.0006","13.7951","0.0007","15.3909","0.0008","92.125","0.004","104.408","0.004","101.959","0.004","2673.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H68 N10 O8 S2 -","- C54 H57.8784 N10 O8 S2 -","- C108 H115.757 N20 O16 S4 -","2","1","","Madhavachary, Rudrakshula; Zarganes-Tzitzikas, Tryfon; Patil, Pravin; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Synthesis of Highly Substituted Imidazole Uracil Containing Molecules via Ugi-4CR and Passerini-3CR.","ACS combinatorial science","2018","20","4","192","196","10.1021/acscombsci.7b00145","","x-ray","1.54184","CuKα","","0.1132","0.094","","","0.2451","0.2633","","","","","","1.029","","","","has coordinates,has disorder","225936","2020-10-21","18:00:00",""
"4515837","29.879","0.006","10.897","0.002","9.1788","0.0018","90","","90","","90","","2988.5","1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H27 Cl2 N3 O3 S -","- C31 H27 Cl2 N3 O3 S -","- C124 H108 Cl8 N12 O12 S4 -","4","1","","Parhizkar, Golnaz; Khosropour, Ahmad Reza; Mohammadpoor-Baltork, Iraj; Parhizkar, Elahehnaz; Amiri Rudbari, Hadi","CsF-Catalyzed Transannulation Reaction of Oxazolones: Diastereoselective Synthesis of Diversified trans- N-(6-Oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with Arylidene Azlactones and Amidines.","ACS combinatorial science","2018","20","6","358","365","10.1021/acscombsci.8b00027","","","0.71073","MoKα","","0.0945","0.0348","","","0.058","0.0686","","","","","","0.631","","","","has coordinates,has disorder","225937","2020-10-21","18:00:00",""
"4515838","15.722","0.002","5.7944","0.0007","13.6813","0.0017","90","","100.711","0.005","90","","1224.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Rao, R. Nishanth; Mm, Balamurali; Maiti, Barnali; Thakuria, Ranjit; Chanda, Kaushik","Efficient Access to Imidazo[1,2- a]pyridines/pyrazines/pyrimidines via Catalyst-Free Annulation Reaction under Microwave Irradiation in Green Solvent.","ACS combinatorial science","2018","20","3","164","171","10.1021/acscombsci.7b00173","","","0.71073","MoKα","","0.0971","0.0696","","","0.2214","0.2379","","","","","","1.17","","","","has coordinates","225938","2020-10-21","18:00:00",""
"4515839","16.355","0.004","7.4111","0.0017","27.977","0.006","90","","90","","90","","3391.1","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C168 H160 N16 O16 -","8","1","","Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming","Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.","ACS combinatorial science","2018","20","3","156","163","10.1021/acscombsci.7b00170","","","0.71073","MoKα","","0.1475","0.0643","","","0.1394","0.1725","","","","","","1.012","","","","has coordinates","225939","2020-10-21","18:00:00",""
"4515840","11.032","0.004","14.107","0.005","15.819","0.006","75.643","0.007","83.233","0.007","77.531","0.007","2323.4","1.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C120 H88 N8 O12 -","4","2","","Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming","Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.","ACS combinatorial science","2018","20","3","156","163","10.1021/acscombsci.7b00170","","","0.71073","MoKα","","0.2073","0.0913","","","0.2307","0.2968","","","","","","1.005","","","","has coordinates","225940","2020-10-21","18:00:00",""
"4515841","5.8579","0.0005","7.7589","0.0006","27.231","0.002","90","","90.708","0.003","90","","1237.58","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Wu, Tz-Yi; Dhole, Sandip; Selvaraju, Manikandan; Sun, Chung-Ming","Regioselective Synthesis of Pyranone-Fused Indazoles via Reductive Cyclization and Alkyne Insertion.","ACS combinatorial science","2018","20","3","156","163","10.1021/acscombsci.7b00170","","","0.71073","MoKα","","0.0477","0.0342","","","0.0764","0.0833","","","","","","1.043","","","","has coordinates,has disorder","225941","2020-10-21","18:00:00",""
"4515843","9.277","0.0003","9.4109","0.0004","15.355","0.0007","101.755","0.002","103.438","0.002","106.361","0.002","1197.89","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 F3 Ir N O3 -","- C22 H23 F3 Ir N O3 -","- C44 H46 F6 Ir2 N2 O6 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0352","0.0264","","","0.0533","0.0554","","","","","","1.013","","","","has coordinates","225943","2020-10-21","18:00:00",""
"4515844","17.1548","0.0008","5.2806","0.0002","18.3203","0.0008","90","","97.2991","0.0019","90","","1646.14","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0693","0.0454","","","0.1096","0.123","","","","","","1.044","","","","has coordinates","225944","2020-10-21","18:00:00",""
"4515845","9.6211","0.0003","10.9933","0.0004","14.575","0.0004","81.373","0.002","79.858","0.002","67.962","0.002","1400.64","0.08","426","2","426","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F3 Ir N2 O5 S -","- C29 H30 F3 Ir N2 O5 S -","- C58 H60 F6 Ir2 N4 O10 S2 -","2","1","","Kim, Youyoung; Park, Yoonsu; Chang, Sukbok","Delineating Physical Organic Parameters in Site-Selective C-H Functionalization of Indoles.","ACS central science","2018","4","6","768","775","10.1021/acscentsci.8b00264","","","0.71073","MoKα","","0.0263","0.0232","","","0.0574","0.0597","","","","","","1.122","","","","has coordinates","225945","2020-10-21","18:00:00",""
"4515846","18.636","0.003","18.636","0.003","8.2243","0.0015","90","","90","","90","","2856.3","0.8","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.1009","0.08","","","0.1794","0.1935","","","","","","1.11","","","","has coordinates","225946","2020-10-21","18:00:00",""
"4515847","18.855","0.004","18.855","0.004","8.0473","0.0019","90","","90","","90","","2860.9","1.1","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0472","0.0428","","","0.104","0.1065","","","","","","1.032","","","","has coordinates","225947","2020-10-21","18:00:00",""
"4515848","16.85","0.004","16.855","0.004","7.7979","0.0018","90","","90","","90","","2214.7","0.9","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0919","0.0715","","","0.1171","0.1231","","","","","","1.161","","","","has coordinates","225948","2020-10-21","18:00:00",""
"4515849","18.6204","0.0014","18.6204","0.0014","8.2532","0.0006","90","","90","","90","","2861.5","0.4","298","2","298.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","0.5","","Yang, Hui; Guo, Feng; Lama, Prem; Gao, Wen-Yang; Wu, Hui; Barbour, Leonard J.; Zhou, Wei; Zhang, Jian; Aguila, Briana; Ma, Shengqian","Visualizing Structural Transformation and Guest Binding in a Flexible Metal-Organic Framework under High Pressure and Room Temperature.","ACS central science","2018","4","9","1194","1200","10.1021/acscentsci.8b00378","","","0.71073","MoKα","","0.0957","0.0856","","","0.1842","0.1935","","","","","","1.195","","","","has coordinates","225949","2020-10-21","18:00:00",""
"4515850","12.026","0.006","12.302","0.006","14.145","0.007","72.461","0.008","79.742","0.008","64.354","0.008","1796","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 B2 Co F8 N10 -","- C25 H24 B2 Co F8 N10 -","- C50 H48 B4 Co2 F16 N20 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.1264","0.0868","","","0.2252","0.2609","","","","","","1.046","","","","has coordinates,has disorder","225950","2020-10-21","18:00:00",""
"4515851","10.1224","0.0007","11.5342","0.0008","12.3686","0.0008","84.499","0.005","89.722","0.005","77.529","0.005","1403.33","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon091216","","","- C26 H28 B2 Co F8 N8 O -","- C26 H28 B2 Co F8 N8 O -","- C52 H56 B4 Co2 F16 N16 O2 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.0858","0.0698","","","0.1861","0.1986","","","","","","1.043","","","","has coordinates,has disorder","225951","2020-10-21","18:00:00",""
"4515852","10.09","0.005","11.516","0.005","12.743","0.006","83.756","0.006","87.48","0.006","77.894","0.006","1438.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Alon92116","","","- C24 H23 B2 Co F8 N9 -","- C24 H23 B2 Co F8 N9 -","- C48 H46 B4 Co2 F16 N18 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","0.71073","MoKα","","0.0664","0.0563","","","0.1545","0.1636","","","","","","1.035","","","","has coordinates,has disorder","225952","2020-10-21","18:00:00",""
"4515853","11.1267","0.0014","11.9052","0.0015","12.2051","0.0016","106.688","0.008","101.505","0.008","100.107","0.008","1470.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Alon082916","","","- C25 H30 B2 Co F8 N8 O3 -","- C25 H30 B2 Co F8 N8 O3 -","- C50 H60 B4 Co2 F16 N16 O6 -","2","1","","Chapovetsky, Alon; Welborn, Matthew; Luna, John M.; Haiges, Ralf; Miller, 3rd, Thomas F; Marinescu, Smaranda C.","Pendant Hydrogen-Bond Donors in Cobalt Catalysts Independently Enhance CO<sub>2</sub> Reduction.","ACS central science","2018","4","3","397","404","10.1021/acscentsci.7b00607","","","1.54178","CuKα","","0.202","0.0894","","","0.2097","0.2724","","","","","","1.005","","","","has coordinates,has disorder","225953","2020-10-21","18:00:00",""
"4515854","10.8541","0.0014","11.169","0.002","12.0753","0.0017","112.082","0.015","94.659","0.011","115.759","0.015","1168.1","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N2 O2 S2 -","- C25 H26 N2 O2 S2 -","- C50 H52 N4 O4 S4 -","2","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","0.71073","MoKα","","0.1491","0.0906","","","0.198","0.267","","","","","","0.961","","","","has coordinates","225954","2020-10-21","18:00:00",""
"4515855","10.0414","0.0004","15.0433","0.0006","15.5315","0.0006","93.055","0.003","107.51","0.004","106.789","0.004","2116.64","0.16","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O2 S2 -","- C23 H22 N2 O2 S2 -","- C92 H88 N8 O8 S8 -","4","2","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0606","0.0495","","","0.1576","0.1652","","","","","","1.139","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4515856","5.2088","0.0003","9.272","0.0006","28.3737","0.0017","90","","90","","90","","1370.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1756","0.1816","","","","","","1.036","","","","has coordinates","225956","2020-10-21","18:00:00",""
"4515857","16.9687","0.0007","9.905","0.0009","17.5869","0.001","90","","117.124","0.003","90","","2630.8","0.3","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B N S2 -","- C28 H32 B N S2 -","- C112 H128 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.0606","0.0518","","","0.1408","0.15","","","","","","1.098","","","","has coordinates","225957","2020-10-21","18:00:00",""
"4515858","8.0507","0.0005","16.79","0.001","25.3603","0.0012","90","","90","","90","","3428","0.3","298","2","298.15","","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C40 H40 B N S2 -","- C40 H40 B N S2 -","- C160 H160 B4 N4 S8 -","4","1","","Li, Sheng-Yong; Sun, Zuo-Bang; Zhao, Cui-Hua","Impact of the 2,2'-Bithienyl Framework on the Charge-Transfer Emission of Triarylborane-Based o,o'-Substituted Biaryls.","ACS omega","2018","3","10","12730","12736","10.1021/acsomega.8b02004","","","0.71","MoKα","","0.061","0.0447","","","0.1054","0.1147","","","","","","1.038","","","","has coordinates","225958","2020-10-21","18:00:00",""
"4515859","27.173","0.009","18.901","0.006","23.601","0.012","90","","121.36","0.013","90","","10351","7","273","2","273","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H44 Cl3 N2 O2 P2 Ru -","- C59 H44 Cl3 N2 O2 P2 Ru -","- C472 H352 Cl24 N16 O16 P16 Ru8 -","8","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.1073","0.0631","","","0.1825","0.2238","","","","","","1.467","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515860","11.7693","0.0004","12.6976","0.0004","14.8599","0.0005","97.091","0.001","107.794","0.001","113.557","0.001","1859.94","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0375","0.0335","","","0.1127","0.1198","","","","","","1.023","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515861","11.9432","0.0005","12.5744","0.0005","14.4985","0.0007","99.789","0.002","105.371","0.002","115.439","0.001","1792.33","0.14","141","2","141","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C41 H29 Br2 Cl2 N2 O2 Os P -","- C82 H58 Br4 Cl4 N4 O4 Os2 P2 -","2","1","","Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta","Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States.","ACS omega","2018","3","10","13323","13334","10.1021/acsomega.8b01983","","","0.71073","MoKα","","0.0432","0.0359","","","0.0876","0.0947","","","","","","0.99","","","","has coordinates","225959","2020-10-21","18:00:00",""
"4515862","19.593","0.005","17.367","0.005","18.153","0.005","90","0.005","108.269","0.005","90","0.005","5866","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H54 Cl2 N6 O8 Ru -","- C67 H54 Cl2 N6 O8 Ru -","- C268 H216 Cl8 N24 O32 Ru4 -","4","1","","Pal, Poulami; Mukherjee, Shruti; Maity, Dinesh; Baitalik, Sujoy","Synthesis, Photophysics, and Switchable Luminescence Properties of a New Class of Ruthenium(II)-Terpyridine Complexes Containing Photoisomerizable Styrylbenzene Units.","ACS omega","2018","3","10","14526","14537","10.1021/acsomega.8b01927","","","0.71073","MoKα","","0.0569","0.0419","","","0.1244","0.1339","","","","","","0.943","","","","has coordinates","225960","2020-10-21","18:00:00",""
"4515863","7.3587","0.0007","10.0065","0.0008","18.5152","0.001","90","","95.836","0.007","90","","1356.3","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br2 N3 -","- C14 H9 Br2 N3 -","- C56 H36 Br8 N12 -","4","1","","Chen, Zhengwang; Liang, Pei; Zheng, Jing; Zhou, Zhonggao; Wen, Xiaowei; Liu, Tanggao; Ye, Min","Cyanide-Free Ce(III)-Catalyzed Highly Efficient Synthesis of α-Iminonitriles from 2-Aminopyridines and Nitroalkenes via Intermolecular Dehydration Reaction.","ACS omega","2018","3","10","12520","12529","10.1021/acsomega.8b02214","","","0.71073","MoKα","","0.0807","0.044","","","0.0774","0.0915","","","","","","1.022","","","","has coordinates","225961","2020-10-21","18:00:00",""
"4515864","6.081","0.005","12.345","0.011","22.898","0.016","90","","93.02","0.02","90","","1717","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5'-fluoro-3-(4-methoxyphenyl)-2'-oxospiro[cyclopropane-1,3'-indoline]-2-carboxylate","","- C20 H18 F N O4 -","- C20 H18 F N O4 -","- C80 H72 F4 N4 O16 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1137","0.0643","","","0.1539","0.1784","","","","","","1.072","","","","has coordinates","225962","2020-10-21","18:00:00",""
"4515865","10.5066","0.0007","35.89","0.003","9.3401","0.0007","90","","103.633","0.004","90","","3422.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N8 O10 -","- C38 H28 N8 O10 -","- C152 H112 N32 O40 -","4","1","","Ramu, Gopathi; Hari Krishna, Namballa; Pawar, Gaurav; Visweswara Sastry, K. N.; Nanubolu, Jagadeesh Babu; Nagendra Babu, Bathini","Solvent-Controlled, Tunable Domino Reaction of 3-Ylideneoxindoles with in Situ-Generated α-Aryldiazomethanes: A Facile Access to 3-Spirocyclopropyl-2-oxindole and Pyrazoloquinazolinone Scaffolds.","ACS omega","2018","3","10","12349","12360","10.1021/acsomega.8b01857","","","0.71073","MoKα","","0.1255","0.0631","","","0.1484","0.1786","","","","","","1.011","","","","has coordinates,has disorder","225963","2020-10-21","18:00:00",""
"4515866","11.8035","0.0016","15.125","0.002","28.887","0.004","90","","90","","90","","5157.1","1.2","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C49 H60 Br2 Cl2 N8 O4 Pt2 -","- C196 H240 Br8 Cl8 N32 O16 Pt8 -","4","0.5","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.1171","0.0637","","","0.1439","0.1692","","","","","","1.081","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515867","9.0266","0.0005","20.43","0.0009","14.744","0.0006","90","","94.271","0.004","90","","2711.4","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Br N4 O2 Pt -","- C30 H33 Br N4 O2 Pt -","- C120 H132 Br4 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0893","0.0463","","","0.086","0.1","","","","","","1.005","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515868","10.258","0.002","10.484","0.002","16.122","0.003","80.57","0.03","80.05","0.03","72.63","0.03","1618.2","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H37 Br Cl2 N4 O2 Pt -","- C32 H37 Br Cl2 N4 O2 Pt -","- C64 H74 Br2 Cl4 N8 O4 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0453","0.0389","","","0.1045","0.1209","","","","","","1.097","","","","has coordinates,has disorder","225964","2020-10-21","18:00:00",""
"4515869","18.083","0.003","12.964","0.002","8.3848","0.0014","90","","92.263","0.004","90","","1964.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br N4 Pt -","- C21 H23 Br N4 Pt -","- C84 H92 Br4 N16 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0873","0.0454","","","0.089","0.1036","","","","","","1.018","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515870","9.7737","0.0005","10.0964","0.0005","36.9181","0.0017","90","","97.239","0.002","90","","3614","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Br Cl5 N4 O2 Pt -","- C32 H37 Br Cl5 N4 O2 Pt -","- C128 H148 Br4 Cl20 N16 O8 Pt4 -","4","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0791","0.0479","","","0.1028","0.116","","","","","","1.006","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515871","8.8735","0.0006","10.971","0.0006","17.8017","0.0011","94.577","0.004","93.652","0.004","113.547","0.004","1574.96","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 B Br N4 O3 Pt -","- C32 H40 B Br N4 O3 Pt -","- C64 H80 B2 Br2 N8 O6 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0972","0.0592","","","0.1169","0.1329","","","","","","1.055","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515872","9.8253","0.0003","9.9194","0.0003","19.4252","0.0006","103.365","0.002","95.89","0.002","99.558","0.002","1796.64","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 B Br N4 O4 Pt -","- C37 H50 B Br N4 O4 Pt -","- C74 H100 B2 Br2 N8 O8 Pt2 -","2","1","","McCready, Matthew S.; Puddephatt, Richard J.","Supramolecular Organoplatinum(IV) Chemistry: Dimers and Polymers Formed by Intermolecular Hydrogen Bonding.","ACS omega","2018","3","10","13621","13629","10.1021/acsomega.8b01860","","","0.71073","MoKα","","0.0724","0.0449","","","0.0834","0.0926","","","","","","1.042","","","","has coordinates","225964","2020-10-21","18:00:00",""
"4515873","12.59","0.03","19.81","0.05","18.88","0.04","90","","97.17","0.02","90","","4672","19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O4 S3 -","- C23 H17 N3 O4 S3 -","- C184 H136 N24 O32 S24 -","8","2","","Singsardar, Mukta; Mondal, Susmita; Sarkar, Rajib; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Regioselective Imidation of Imidazoheterocycles with <i>N</i>-Fluorobenzenesulfonimide.","ACS omega","2018","3","10","12505","12512","10.1021/acsomega.8b02088","","","0.71073","MoKα","","0.1507","0.0931","","","0.2481","0.293","","","","","","1.803","","","","has coordinates","225965","2020-10-21","18:00:00",""
"4515874","20.702","0.002","20.702","0.002","16.158","0.002","90","","90","","120","","5997.1","1.1","200","2","200","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C27 H45 Cl Mo3 O10 S4 -","- C27 H46 Cl Mo3 O10 S4 -","- C162 H276 Cl6 Mo18 O60 S24 -","6","0.5","","Fu, Dong; Fabre, Bruno; Loget, Gabriel; Mériadec, Cristelle; Ababou-Girard, Soraya; Cadot, Emmanuel; Leclerc-Laronze, Nathalie; Marrot, Jérôme; de Ponfilly, Quentin","Polyoxothiometalate-Derivatized Silicon Photocathodes for Sunlight-Driven Hydrogen Evolution Reaction.","ACS omega","2018","3","10","13837","13849","10.1021/acsomega.8b01734","","","0.71073","MoKα","","0.0566","0.05","","","0.1298","0.1353","","","","","","1.147","","","","has coordinates","225966","2020-10-21","18:00:00",""
"4515875","31.177","0.003","6.1229","0.0005","14.3335","0.0012","90","","113.771","0.002","90","","2504","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-Phenylformamide","N-Phenylformamide","","- C7 H7 N O -","- C7 H7 N O -","- C112 H112 N16 O16 -","16","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.0628","0.0396","","","0.0967","0.1099","","","","","","1.031","","","","has coordinates","225967","2020-10-21","18:00:00",""
"4515876","5.1753","0.0014","19.084","0.004","8.2765","0.0018","90","","90.302","0.009","90","","817.4","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2,2-trifluoro-N-phenylacetamide","2,2,2-trifluoro-N-phenylacetamide","","- C8 H6 F3 N O -","- C8 H6 F3 N O -","- C32 H24 F12 N4 O4 -","4","2","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.1606","0.0818","","","0.1846","0.2344","","","","","","1.052","","","","has coordinates","225968","2020-10-21","18:00:00",""
"4515877","9.969","0.003","10.642","0.003","10.172","0.003","90","","90","","90","","1079.1","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","N-(Phenyl)-2,2,2-trimethylacetamide","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71069","MoKα","","0.0387","0.0368","","","0.0902","0.0924","","","","","","1.123","","","","has coordinates","225969","2020-10-21","18:00:00",""
"4515878","9.371","0.0009","7.7868","0.0008","19.5301","0.0019","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","225970","2020-10-21","18:00:00",""
"4515879","5.352","0.006","7.971","0.008","12.471","0.013","73.23","0.02","79.202","0.019","89.85","0.02","499.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","0.71073","MoKα","","0.084","0.0646","","","0.177","0.1886","","","","","","0.96","","","","has coordinates","225971","2020-10-21","18:00:00",""
"4515880","10.1863","0.0008","9.1483","0.0007","11.8856","0.0009","90","","90","","90","","1107.59","0.15","299","2","299","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,2,2-Tribromo-<i>N</i>-phenylacetamide","","- C8 H6 Br3 N O -","- C8 H6 Br3 N O -","- C32 H24 Br12 N4 O4 -","4","1","","Pagliari, Anderson B.; Orlando, Tainára; Salbego, Paulo R. S.; Zimmer, Geórgia C; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Supramolecular Packing of a Series of <i>N</i>-Phenylamides and the Role of NH···O=C Interactions.","ACS omega","2018","3","10","13850","13861","10.1021/acsomega.8b01801","","","1.5418","CuKα","","0.0818","0.0792","","","0.2325","0.2372","","","","","","1.053","","","","has coordinates","225972","2020-10-21","18:00:00",""
"4515881","12.3716","0.0006","9.6865","0.0003","20.7826","0.0013","90","","105.941","0.006","90","","2394.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N4 Ni O5 Pb S2 -","- C21 H22 N4 Ni O5 Pb S2 -","- C84 H88 N16 Ni4 O20 Pb4 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Fabrication of an Active Electronic Device Using a Hetero-bimetallic Coordination Polymer.","ACS omega","2018","3","10","12788","12796","10.1021/acsomega.8b02025","","","0.71073","MoKα","","0.0798","0.0538","","","0.0916","0.0987","","","","","","1.094","","","","has coordinates","225973","2020-10-21","18:00:00",""
"4515882","10.60195","0.00019","10.75301","0.00019","11.3032","0.0002","59.987","0.001","80.147","0.001","88.894","0.001","1096.03","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","3C(alpha)","","","- C24 H28 O8 -","- C24 H28 O8 -","- C48 H56 O16 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0926","0.0759","","","0.1905","0.2","","","","","","1.068","","","","has coordinates","225974","2020-10-21","18:00:00",""
"4515883","8.7988","0.00016","10.50228","0.00019","13.8851","0.0003","89.745","0.001","76.69","0.001","79.141","0.001","1225.25","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","5b","","","- C26 H32 O10 -","- C26 H32 O10 -","- C52 H64 O20 -","2","1","","Nomura, Eisaku; Noda, Takumi; Gomi, Daiki; Mori, Hajime","Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds.","ACS omega","2018","3","10","12746","12753","10.1021/acsomega.8b01953","","","1.54187","CuKα","","0.0527","0.0435","","","0.1183","0.127","","","","","","1.07","","","","has coordinates","225975","2020-10-21","18:00:00",""
"4515884","13.5461","0.0018","25.518","0.003","47.112","0.006","90","","94.719","0.003","90","","16230","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C62 H34 Cl2 Co15 N2 O38 Pd9 -","- C496 H272 Cl16 Co120 N16 O304 Pd72 -","8","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1101","0.086","","","0.1491","0.1582","","","","","","1.248","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515885","25.9095","0.0015","12.7628","0.0007","25.9267","0.0015","90","","90","","90","","8573.4","0.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C63 H36 Cl4 Co15 N2 O38 Pd9 -","- C252 H144 Cl16 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.118","0.1166","","","0.3128","0.3135","","","","","","1.174","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515886","12.9658","0.0007","36.928","0.002","18.5192","0.001","90","","98.141","0.003","90","","8777.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0396","0.0303","","","0.0678","0.0724","","","","","","1.065","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515887","13.0934","0.0006","37.1883","0.0017","18.6966","0.0009","90","","97.344","0.002","90","","9029.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C68 H46 Cl2 Co15 N2 O38 Pd9 -","- C272 H184 Cl8 Co60 N8 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0916","0.0539","","","0.119","0.1359","","","","","","1.031","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515888","12.6823","0.0007","12.8975","0.0007","30.7793","0.0018","95.725","0.003","98.686","0.003","94.004","0.003","4933.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0658","0.0502","","","0.1319","0.1435","","","","","","1.032","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515889","13.0138","0.0007","13.0903","0.0007","31.023","0.0016","96.767","0.003","99.948","0.003","93.099","0.003","5154.2","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C81.5 H41 Cl5 Co15 O38 P2 Pd9 -","- C163 H82 Cl10 Co30 O76 P4 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0685","0.0496","","","0.1252","0.1367","","","","","","1.051","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515890","18.8375","0.0014","18.8375","0.0014","22.4956","0.0019","90","","90","","120","","6913.1","0.9","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.038","0.0307","","","0.0698","0.0743","","","","","","1.007","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515891","18.9827","0.0005","18.9827","0.0005","22.7666","0.0014","90","","90","","120","","7104.7","0.5","293","2","293","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C79 H36 Co15 O38 P2 Pd9 -","- C79 H35.9994 Co15 O38 P2 Pd9 -","- C237 H107.998 Co45 O114 P6 Pd27 -","3","0.333333","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0497","0.0387","","","0.0935","0.1017","","","","","","1.034","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515892","12.7371","0.0009","13.5459","0.001","28.843","0.002","93.292","0.002","93.675","0.002","111.909","0.002","4589.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C144 H100 Cl4 Co30 N6 O76 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.1008","0.0632","","","0.1163","0.1285","","","","","","1.06","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515893","39.915","0.003","12.8254","0.0008","17.5401","0.0011","90","","90","","90","","8979.2","1","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C72 H50 Cl2 Co15 N3 O38 Pd9 -","- C288 H200 Cl8 Co60 N12 O152 Pd36 -","4","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0354","0.0342","","","0.0805","0.081","","","","","","1.104","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515894","12.7433","0.0012","16.7009","0.0016","28.227","0.003","90.39","0.002","94.828","0.002","112.141","0.002","5539.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C99 H56 Cl2 Co15 O38 P3 Pd9 -","- C198 H112 Cl4 Co30 O76 P6 Pd18 -","2","1","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0492","0.0362","","","0.0654","0.0686","","","","","","1.058","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515895","11.9099","0.0007","21.2639","0.0013","25.6686","0.0015","114.096","0.001","90.729","0.001","100.805","0.001","5800","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C43 H18 Cl2 Co13 N O29 Pd3 -","- C172 H72 Cl8 Co52 N4 O116 Pd12 -","4","2","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0601","0.0401","","","0.0729","0.0783","","","","","","1.057","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515896","11.3488","0.0004","13.6232","0.0004","14.1177","0.0005","62.07","0.002","79.979","0.002","69.75","0.002","1809.07","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","- C58 H72 Co8 N2 O24 Pd4 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.0643","0.0435","","","0.1074","0.1253","","","","","","1.05","","","","has coordinates,has disorder","225976","2020-10-21","18:00:00",""
"4515897","11.4009","0.0016","13.94","0.002","14.213","0.002","62.21","0.002","78.778","0.002","69.642","0.002","1872.1","0.5","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 Co8 N2 O24 Pt4 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","- C58 H72 Co7.992 N2 O24 Pt4.008 -","1","0.5","","Berti, Beatrice; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo<sub>15</sub>Pd<sub>9</sub>C<sub>3</sub>(CO)<sub>38</sub>]<sup>2-</sup> Molecular Nanocluster.","ACS omega","2018","3","10","13239","13250","10.1021/acsomega.8b02109","","","0.71073","MoKα","","0.074","0.0508","","","0.1415","0.1576","","","","","","1.044","","","","has coordinates","225976","2020-10-21","18:00:00",""
"4515898","4.034","0.0003","13.7987","0.0013","8.7445","0.0007","90","","97.123","0.001","90","","483","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C0 H0 Cl3 Cu K -","- Cl3 Cu K -","- Cl12 Cu4 K4 -","4","1","","Zhou, Huawei; Liu, Xuejing; He, Guohang; Fan, Lin; Shi, Shaozhen; Wei, Jiazhen; Xu, Wenli; Yuan, Cang; Chai, Ning; Chen, Baoli; Zhang, Yingtian; Zhang, Xianxi; Zhao, Jinsheng; Wei, Xinting; Yin, Jie; Tian, Dongxu","Synthesis, Crystal Structure, UV-Vis Adsorption Properties, Photoelectric Behavior, and DFT Computational Study of All-Inorganic and Lead-Free Copper Halide Salt K<sub>2</sub>Cu<sub>2</sub>Cl<sub>6</sub>.","ACS omega","2018","3","10","14021","14026","10.1021/acsomega.8b01337","","","0.71073","MoKα","","0.0467","0.0429","","","0.1081","0.1128","","","","","","0.842","","","","has coordinates","225977","2020-10-21","18:00:00",""
"4515899","10.08","0.0004","17.9664","0.0008","12.4991","0.0006","90","","96.773","0.002","90","","2247.81","0.17","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C38 H36 Cl4 Cu2 N8 O12 Zn2 -","- C76 H72 Cl8 Cu4 N16 O24 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0427","0.033","","","0.0826","0.0879","","","","","","1.03","","","","has coordinates","225978","2020-10-21","18:00:00",""
"4515900","10.3783","0.0018","20.893","0.004","10.1906","0.0018","90","","106.224","0.002","90","","2121.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C42 H36 Cl4 Cu2 N10 O4 Zn -","- C84 H72 Cl8 Cu4 N20 O8 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0714","0.0452","","","0.1111","0.121","","","","","","1.009","","","","has coordinates","225980","2020-10-21","18:00:00",""
"4515901","10.0431","0.0009","19.9558","0.0019","11.4121","0.0011","90","","111.678","0.003","90","","2125.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C38 H36 Cl4 Cu2 N6 O11 Zn -","- C76 H72 Cl8 Cu4 N12 O22 Zn2 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0591","0.0402","","","0.0911","0.1003","","","","","","1.045","","","","has coordinates,has disorder","225981","2020-10-21","18:00:00",""
"4515902","9.7807","0.0016","16.605","0.003","13.616","0.002","90","","90.203","0.002","90","","2211.3","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C38 H36 Cl8 Cu2 N4 O4 Zn2 -","- C76 H72 Cl16 Cu4 N8 O8 Zn4 -","2","0.5","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0659","0.0425","","","0.1","0.11","","","","","","1.042","","","","has coordinates","225982","2020-10-21","18:00:00",""
"4515903","6.9256","0.0003","23.3181","0.001","11.7998","0.0005","90","","103.829","0.002","90","","1850.34","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 Cu N2 O2 -","- C19 H18 Cl2 Cu N2 O2 -","- C76 H72 Cl8 Cu4 N8 O8 -","4","1","","Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis","Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.","ACS omega","2018","3","10","13343","13353","10.1021/acsomega.8b01260","","","0.71073","MoKα","","0.0603","0.0455","","","0.1261","0.138","","","","","","1.033","","","","has coordinates","225983","2020-10-21","18:00:00",""
"4515904","13.0575","0.0014","17.6855","0.0019","17.644","0.002","90","","103.694","0.009","90","","3958.7","0.8","173","2","173","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C41 H45 F6 N4 O4 P -","- C41 H45 F6 N4 O4 P -","- C164 H180 F24 N16 O16 P4 -","4","1","","Greenlee, Andrew J.; Ofosu, Charles K.; Xiao, Qifan; Modan, Mohammed M.; Janzen, Daron E.; Cao, Dennis D.","Pyridinium-Functionalized Pyromellitic Diimides with Stabilized Radical Anion States.","ACS omega","2018","3","1","240","245","10.1021/acsomega.7b01887","","","0.71075","MoKα","","0.052","0.0465","","","0.1179","0.1218","","","","","","1.031","","","","has coordinates","225984","2020-10-21","18:00:00",""
"4515905","21.969","0.004","17.259","0.003","20.669","0.003","90","","96.021","0.002","90","","7794","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N3 O5 -","- C19 H25 N3 O5 -","- C304 H400 N48 O80 -","16","2","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1522","0.0643","","","0.1321","0.1639","","","","","","0.995","","","","has coordinates,has disorder","225985","2020-10-21","18:00:00",""
"4515906","7.372","0.002","19.312","0.006","13.785","0.004","90","","105.509","0.003","90","","1891.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O5 -","- C18 H22 Cl N3 O5 -","- C72 H88 Cl4 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1879","0.1322","","","0.4035","0.4392","","","","","","1.032","","","","has coordinates","225986","2020-10-21","18:00:00",""
"4515907","17.67","0.03","8.064","0.012","12.926","0.019","90","","102.53","0.02","90","","1798","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O5 -","- C17 H21 N3 O5 -","- C68 H84 N12 O20 -","4","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.1334","0.0613","","","0.1397","0.1752","","","","","","0.967","","","","has coordinates","225987","2020-10-21","18:00:00",""
"4515908","8.3233","0.0015","8.3363","0.0015","17.223","0.003","102.674","0.002","97.734","0.002","98.563","0.002","1135.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 F2 N3 O5 -","- C24 H25 F2 N3 O5 -","- C48 H50 F4 N6 O10 -","2","1","","Hu, Xing-Mei; Luo, Da-Yun; Zi, Quan-Xing; Lin, Jun; Yan, Sheng-Jiao","Diastereoselective Synthesis of Morphan Derivatives by Michael and Hetero-Michael Addition of 1,1-Enediamines to Quinone Monoketals.","ACS omega","2018","3","1","8","21","10.1021/acsomega.7b01493","","","0.71073","MoKα","","0.0789","0.0515","","","0.151","0.1812","","","","","","1.06","","","","has coordinates,has disorder","225988","2020-10-21","18:00:00",""
"4515909","10.92936","0.00008","12.8033","0.00009","13.37608","0.00011","90","","112.081","0.0009","90","","1734.45","0.03","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Leas, Derek A.; Wu, Jianbo; Ezell, Edward L.; Garrison, Jered C.; Vennerstrom, Jonathan L.; Dong, Yuxiang","Formation of 2-Imino Benzo[<i>e</i>]-1,3-oxazin-4-ones from Reactions of Salicylic Acids and Anilines with HATU: Mechanistic and Synthetic Studies.","ACS omega","2018","3","1","781","787","10.1021/acsomega.7b01824","","x-ray","1.54184","CuKα","","0.0324","0.0307","","","0.0806","0.0822","","","","","","1.045","","","","has coordinates","225989","2020-10-21","18:00:00",""
"4515910","9.0317","0.0005","10.0478","0.0005","15.5635","0.0008","90","","90","","90","","1412.37","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2OK-1","2OK-1","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.1508","0.1282","","","0.2979","0.3227","","","","","","1.11","","","","has coordinates","225990","2020-10-21","18:00:00",""
"4515911","13.4241","0.0006","13.4241","0.0006","7.2863","0.0004","90","","90","","90","","1313.04","0.11","296","2","296","2","","","","","","","","3","P 41","P 4w","76","OK-17","OK-17","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.0765","0.0608","","","0.145","0.1607","","","","","","1.03","","","","has coordinates","225991","2020-10-21","18:00:00",""
"4515912","9.2774","0.0003","22.6668","0.0007","9.8223","0.0003","90","","104.891","0.002","90","","1996.15","0.11","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O -","- C26 H22 O -","- C104 H88 O4 -","4","1","","Sahoo, Prakash Kumar; Gawali, Suhas Shahaji; Gunanathan, Chidambaram","Iron-Catalyzed Selective Etherification and Transetherification Reactions Using Alcohols.","ACS omega","2018","3","1","124","136","10.1021/acsomega.7b01705","","","0.71073","MoKα","","0.0606","0.0398","","","0.0953","0.1071","","","","","","1.016","","","","has coordinates","225992","2020-10-21","18:00:00",""
"4515913","22.2703","0.0006","15.8902","0.0005","15.2838","0.0005","90","","93.297","0.003","90","","5399.7","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","","1.54184","CuKα","","0.0784","0.0718","","","0.1911","0.1974","","","","","","1.061","","","","has coordinates","225993","2020-10-21","18:00:00",""
"4515914","22.3412","0.0005","15.9121","0.0003","15.4268","0.0004","90","","93.24","0.002","90","","5475.4","0.2","180","0.1","180","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N2 O9 -","- C54 H88 N2 O9 -","- C216 H352 N8 O36 -","4","0.5","","Rodríguez-Fortea, Antonio; Kaleta, Jiří; Mézière, Cécile; Allain, Magali; Canadell, Enric; Wzietek, Pawel; Michl, Josef; Batail, Patrick","Asymmetric Choreography in Pairs of Orthogonal Rotors.","ACS omega","2018","3","1","1293","1297","10.1021/acsomega.7b01580","","x-ray","1.54184","CuKα","","0.0777","0.0695","","","0.1954","0.205","","","","","","1.022","","","","has coordinates","225994","2020-10-21","18:00:00",""
"4515915","7.1234","0.0017","7.7506","0.0019","21.457","0.01","90","","90","","90","","1184.7","0.7","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","Methyl (1a<i>S</i>,4a<i>R</i>,5<i>R</i>,7a<i>R</i>)-5-methyl-2-oxo- octahydrocyclopropa[<i>d</i>]indene- 4a-carboxylate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yadav, Jhillu Singh; Singh, Shweta; Das, Saibal","Stereoselective Total Syntheses of Acutifolone A, Bisacutifolone A and B, Pinguisenol, and Isonaviculol.","ACS omega","2018","3","1","636","647","10.1021/acsomega.7b01513","","","0.7107","MoKα","","0.081","0.0576","","","0.1268","0.1489","","","","","","1.098","","","","has coordinates","225995","2020-10-21","18:00:00",""
"4515916","6.45","0.0003","7.2271","0.0004","15.5635","0.0008","100.475","0.004","94.555","0.004","97.516","0.004","703.3","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H9 F5 O -","- C16 H9 F5 O -","- C32 H18 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0593","0.0417","","","0.1026","0.1138","","","","","","1.022","","","","has coordinates","225996","2020-10-21","18:00:00",""
"4515917","6.1612","0.0003","7.4665","0.0004","20.2688","0.0008","89.766","0.004","87.758","0.003","83.16","0.004","925.07","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 F5 O -","- C20 H17 F5 O -","- C40 H34 F10 O2 -","2","1","","Yamada, Shigeyuki; Mitsuda, Akira; Miyano, Kazuya; Tanaka, Tsuyoshi; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Konno, Tsutomu","Development of Novel Solid-State Light-Emitting Materials Based on Pentafluorinated Tolane Fluorophores.","ACS omega","2018","3","8","9105","9113","10.1021/acsomega.8b01490","","","0.71073","MoKα","","0.0695","0.0531","","","0.1543","0.1709","","","","","","1.033","","","","has coordinates","225997","2020-10-21","18:00:00",""
"4515918","12.4697","0.0015","8.9131","0.0011","17.456","0.002","90","","103.685","0.004","90","","1885","0.4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl S -","- C23 H21 Cl S -","- C92 H84 Cl4 S4 -","4","1","","Vu, Minh Duy; Foo, Ce Qing; Sadeer, Abdul; Shand, Sam S.; Li, Yongxin; Pullarkat, Sumod A.","Triflic-Acid-Catalyzed Tandem Allylic Substitution-Cyclization Reaction of Alcohols with Thiophenols-Facile Access to Polysubstituted Thiochromans.","ACS omega","2018","3","8","8945","8951","10.1021/acsomega.8b01305","","","0.71073","MoKα","","0.1155","0.0535","","","0.107","0.1322","","","","","","1.01","","","","has coordinates","225998","2020-10-21","18:00:00",""
"4515919","9.3936","0.0017","4.6798","0.0008","17.703","0.003","90","","100.44","0.0019","90","","765.3","0.2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 F8 N4 Ni -","- C18 H6 F8 N4 Ni -","- C36 H12 F16 N8 Ni2 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.028","0.0252","","","0.0686","0.0696","","","","","","1.105","","","","has coordinates","225999","2020-10-21","18:00:00",""
"4515920","9.457","0.006","4.715","0.003","17.574","0.011","90","","100.787","0.009","90","","769.8","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H6 Cu F8 N4 -","- C18 H6 Cu F8 N4 -","- C36 H12 Cu2 F16 N8 -","2","0.5","","Pilia, Luca; Shuku, Yoshiaki; Dalgleish, Simon; Awaga, Kunio; Robertson, Neil","Structural and Electronic Effects Due to Fluorine Atoms on Dibenzotetraaza-Annulenes Complexes.","ACS omega","2018","3","8","10074","10083","10.1021/acsomega.8b01442","","","0.71075","MoKα","","0.0627","0.0521","","","0.1376","0.1446","","","","","","1.237","","","","has coordinates","225999","2020-10-21","18:00:00",""
"4515921","13.3372","0.0011","13.4107","0.0011","15.8542","0.0013","66.936","0.001","65.477","0.001","73.256","0.001","2346.9","0.3","201","2","201","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Hg4 N15 O13 -","- C37 H42 Hg4 N15 O13 -","- C74 H84 Hg8 N30 O26 -","2","1","","Lemes, Maykon A.; Stein, Hilarie N.; Gabidullin, Bulat; Steinmann, Stephan N.; Murugesu, Muralee","Tetrazine-Based Ligand Transformation Driving Metal-Metal Bond and Mixed-Valence Hg<sup>I</sup>/Hg<sup>II</sup>.","ACS omega","2018","3","8","10273","10277","10.1021/acsomega.8b01861","","","0.71073","MoKα","","0.0672","0.0388","","","0.089","0.1017","","","","","","0.979","","","","has coordinates","226000","2020-10-21","18:00:00",""
"4515922","16.4068","0.001","21.1877","0.0013","21.5464","0.0014","94.827","0.001","105.616","0.001","110.717","0.001","6612","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H97 Cl N24 O36 -","- C42 H48 Cl N24 O12 -","- C168 H192 Cl4 N96 O48 -","4","2","","Wang, Xin-Xin; Tian, Fei-Yang; Chen, Kai; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang","Hexamethylcucurbit[3,3]uril-Based Porous Supramolecular Assemblies and Their Adsorption Properties.","ACS omega","2018","3","8","9827","9833","10.1021/acsomega.8b00979","","","0.71073","MoKα","","0.1242","0.083","","","0.2332","0.2557","","","","","","1.004","","","","has coordinates","226001","2020-10-21","18:00:00",""
"4515923","10.8505","0.0005","10.467","0.0004","18.8893","0.0009","90","","105.253","0.005","90","","2069.73","0.17","150.03","0.1","150.03","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu2 N6 O18 -","- C40 H34 Cu2 N6 O18 -","- C80 H68 Cu4 N12 O36 -","2","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0787","0.0524","","","0.1027","0.1221","","","","","","1.055","","","","has coordinates,has disorder","226002","2020-10-21","18:00:00",""
"4515924","16.9098","0.001","11.4225","0.0007","10.4825","0.0007","90","","95.3601","0.0017","90","","2015.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cu N2 O10 -","- C20 H18 Cu N2 O10 -","- C80 H72 Cu4 N8 O40 -","4","0.5","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ballester, Pablo; Pritchard, Robin G.; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization.","ACS omega","2018","3","8","9160","9171","10.1021/acsomega.8b01111","","","0.71073","MoKα","","0.0362","0.0315","","","0.0791","0.0811","","","","","","1.084","","","","has coordinates","226003","2020-10-21","18:00:00",""
"4515925","9.3247","0.0004","8.2469","0.0004","10.8377","0.0005","90","","92.037","0.004","90","","832.89","0.07","140.1","0.5","140","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 -","- C7 H10 N4 -","- C28 H40 N16 -","4","1","","Tinson, Ryan A. J.; Hughes, David L.; Ward, Leanne; Stephenson, G. Richard","Unusual Nucleophilic Addition of Grignard Reagents in the Synthesis of 4-Amino-pyrimidines.","ACS omega","2018","3","8","8937","8944","10.1021/acsomega.8b01137","","","0.71073","Mo-Kα","","0.0672","0.0498","","","0.1379","0.1477","","","","","","1.062","","","","has coordinates","226004","2020-10-21","18:00:00",""
"4515926","6.6437","0.0003","9.4377","0.0004","19.9115","0.0008","90","","99.266","0.003","90","","1232.19","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.0717","0.0393","","","0.1076","0.1539","","","","","","1.105","","","","has coordinates","226005","2020-10-21","18:00:00",""
"4515927","7.3648","0.0004","12.6013","0.0008","17.9669","0.001","71.88","0.004","86.822","0.004","86.863","0.004","1581.07","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O7 S2 -","- C34 H24 N2 O7 S2 -","- C68 H48 N4 O14 S4 -","2","1","","Lohar, Somenath; Dhara, Koushik; Roy, Priya; Sinha Babu, Santi P.; Chattopadhyay, Pabitra","Highly Sensitive Ratiometric Chemosensor and Biomarker for Cyanide Ions in the Aqueous Medium.","ACS omega","2018","3","8","10145","10153","10.1021/acsomega.8b01035","","","0.71073","MoKα","","0.1792","0.0663","","","0.1913","0.276","","","","","","0.753","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4515928","10.8577","0.0002","14.2462","0.0003","13.918","0.0003","90","","111.138","0.001","90","","2007.99","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 N2 O11 -","- C46 H46 N2 O11 -","- C92 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0565","0.0451","","","0.1325","0.1413","","","","","","1.077","","","","has coordinates","226007","2020-10-21","18:00:00",""
"4515929","10.6658","0.0019","14.335","0.003","13.962","0.003","90","","110.1","0.005","90","","2004.7","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N3 O11 -","- C45 H46 N3 O11 -","- C90 H92 N6 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.1195","0.0584","","","0.1414","0.1672","","","","","","0.935","","","","has coordinates","226008","2020-10-21","18:00:00",""
"4515930","10.5721","0.0011","14.2791","0.0015","13.9602","0.0016","90","","109.686","0.002","90","","1984.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 N2 O11 -","- C45 H46 N2 O11 -","- C90 H92 N4 O22 -","2","0.5","","Fang, Jing; Zhang, Qi; Li, Meiqi; Wang, Jian-Rong; Mei, Xuefeng","Isostructural Solvates of Naturally Occurring Allocryptopine Exhibit Both Mechanochromic and Hydrochromic Luminescent Properties.","ACS omega","2018","3","8","9220","9226","10.1021/acsomega.8b01267","","","0.71073","MoKα","","0.0644","0.0481","","","0.1362","0.1513","","","","","","1.022","","","","has coordinates","226009","2020-10-21","18:00:00",""
"4515931","18.9584","0.001","16.8577","0.0008","14.0096","0.0007","90","","111.553","0.003","90","","4164.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H29 F9 N6 Pt -","- C52 H29 F9 N6 Pt -","- C208 H116 F36 N24 Pt4 -","4","0.5","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.8857","synchrotron","","0.0482","0.0345","","","0.0701","0.0746","","","","","","1.037","","","","has coordinates,has disorder","226010","2020-10-21","18:00:00",""
"4515932","9.4792","0.0015","12.0922","0.0019","16.675","0.003","109.102","0.003","95.415","0.003","90.85","0.003","1795.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H32 N6 Pt -","- C49 H32 N6 Pt -","- C98 H64 N12 Pt2 -","2","1","","Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik","Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.","ACS omega","2018","3","8","9360","9368","10.1021/acsomega.8b01149","","","0.7293","synchrotron","","0.0865","0.0583","","","0.1336","0.1471","","","","","","1.033","","","","has coordinates","226010","2020-10-21","18:00:00",""
"4515933","8.0473","0.0006","11.4044","0.0009","13.7456","0.0011","70.394","0.001","75.041","0.001","79.862","0.001","1142.53","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C48 H60 N4 O8 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0766","0.0656","","","0.1908","0.2023","","","","","","1.078","","","","has coordinates","226011","2020-10-21","18:00:00",""
"4515934","8.9744","0.0008","9.5414","0.0009","11.6948","0.001","95.027","0.002","97.388","0.001","96.992","0.001","980.27","0.15","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C42 H48 N4 O10 -","2","1","","Reddy, Chatrala Ravikumar; Sridhar, Balasubramanian; V Subba Reddy, Basi","Ru(II)-Catalyzed Oxidative Functionalization of Arylhydrazine-1,2-dicarboxylates with Internal Alkynes for the Synthesis of Enecarbamates.","ACS omega","2018","3","8","9746","9753","10.1021/acsomega.8b01118","","","0.71073","MoKα","","0.0538","0.0448","","","0.1175","0.124","","","","","","1.055","","","","has coordinates","226012","2020-10-21","18:00:00",""
"4515935","7.942","0.005","19.31","0.02","22.77","0.02","90","","90","","90","","3492","5","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I2 N2 O Pt -","- C14 H18 I2 N2 O Pt -","- C112 H144 I16 N16 O8 Pt8 -","8","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0346","0.0329","","","0.1014","0.1024","","","","","","1.104","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515936","11.333","0.004","13.086","0.004","14.249","0.004","90","","94.272","0.007","90","","2107.3","1.1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I2 N2 O2 Pt -","- C17 H24 I2 N2 O2 Pt -","- C68 H96 I8 N8 O8 Pt4 -","4","1","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0285","0.0278","","","0.0805","0.0809","","","","","","1.192","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515937","8.361","0.003","8.63","0.004","10.095","0.004","92.018","0.017","113.755","0.014","106.974","0.019","627.9","0.5","163","","163","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","- C10 H30 I6 Pt4 -","1","0.5","","Fard, Mahmood A.; Behnia, Ava; Puddephatt, Richard J.","Supramolecular Polymer and Sheet and a Double Cubane Structure in Platinum(IV) Iodide Chemistry: Solution of a Longstanding Puzzle.","ACS omega","2018","3","8","10267","10272","10.1021/acsomega.8b01367","","","0.71073","MoKα","","0.0462","0.0333","","","0.0637","0.0668","","","","","","1.098","","","","has coordinates","226013","2020-10-21","18:00:00",""
"4515938","17.4884","0.0011","7.707","0.0004","16.2535","0.0009","90","","94.034","0.002","90","","2185.3","0.2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 O3 -","- C11 H10 Cl2 O3 -","- C88 H80 Cl16 O24 -","8","1","","Dethe, Dattatraya H.; Boda, Raghavender","Synthetic Studies toward the Natural Product Tripartin, the First Natural Histone Lysine Demethylase Inhibitor.","ACS omega","2018","3","8","9303","9309","10.1021/acsomega.8b01341","","x-ray","0.71073","MoKα","","0.0522","0.0338","","","0.08","0.0872","","","","","","1.025","","","","has coordinates","226014","2020-10-21","18:00:00",""
"4515939","15.002","0.005","8.676","0.003","16.83","0.005","90","","91.384","0.004","90","","2189.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C48 H136 B48 N16 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.2098","0.0935","","","0.2134","0.2565","","","","","","1.226","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515940","14.0962","0.0016","10.5765","0.0016","14.3649","0.0013","90","","91.92","0.003","90","","2140.4","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H32 B10 N4 -","- C12 H32 B10 N4 -","- C48 H128 B40 N16 -","4","0.5","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1589","0.1059","","","0.2825","0.3247","","","","","","1.041","","","","has coordinates,has disorder","226015","2020-10-21","18:00:00",""
"4515941","9.553","0.0007","28.914","0.002","9.7711","0.0007","90","","116.859","0.004","90","","2407.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 N4 O2 -","- C14 H38 B10 N4 O2 -","- C56 H152 B40 N16 O8 -","4","1","","Kelley, Steven P.; Rachiero, Giovanni P.; Titi, Hatem M.; Rogers, Robin D.","New Reactions for Old Ions: Cage Rearrangements, Hydrolysis, and Two-Electron Reduction of <i>nido</i>-Decaborane in Neat 1-Ethyl-3-Methylimidazolium Acetate.","ACS omega","2018","3","8","8491","8496","10.1021/acsomega.8b00775","","","0.71073","MoKα","","0.1342","0.0692","","","0.1311","0.1591","","","","","","1.014","","","","has coordinates","226015","2020-10-21","18:00:00",""
"4515942","14.8016","0.0004","12.2438","0.0004","18.4551","0.0005","90","","99.793","0.003","90","","3295.84","0.17","293","2","293.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 B3 Cl6 F6 N4 O3 -","- C27 H21 B3 Cl6 F6 N4 O3 -","- C108 H84 B12 Cl24 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","0.71073","MoKα","","0.0812","0.0569","","","0.1286","0.1421","","","","","","1.069","","","","has coordinates","226016","2020-10-21","18:00:00",""
"4515943","11.6042","0.0002","17.3471","0.0003","13.6414","0.0002","90","","90.3913","0.0015","90","","2745.94","0.08","292.7","0.6","292.7","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B3 F6 N4 O3 -","- C27 H27 B3 F6 N4 O3 -","- C108 H108 B12 F24 N16 O12 -","4","1","","Zhang, Xiaohong; Shi, Jun; Song, Jintong; Wang, Man; Xu, Xuemei; Qu, Lang; Zhou, Xiangge; Xiang, Haifeng","Nonconjugated Fluorescent Molecular Cages of Trinuclear Fluoroborate Complexes with Salicylaldehyde-Based Schiff Base Ligands.","ACS omega","2018","3","8","8992","9002","10.1021/acsomega.8b01504","","x-ray","1.54184","CuKα","","0.0694","0.0624","","","0.1742","0.1835","","","","","","1.025","","","","has coordinates","226017","2020-10-21","18:00:00",""
"4515944","8.25787","0.00017","8.7682","0.0003","15.6385","0.0004","96.208","0.002","97.1322","0.0019","108.099","0.002","1054.98","0.05","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O2 -","- C29 H21 N O2 -","- C58 H42 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","1.54184","CuKα","","0.0712","0.0595","","","0.1713","0.1822","","","","","","1.08","","","","has coordinates,has disorder","226018","2020-10-21","18:00:00",""
"4515945","8.0332","0.0019","8.569","0.002","18.521","0.003","86.059","0.018","79.08","0.018","63.59","0.03","1121","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C62 H50 N2 O4 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","0.71073","MoKα","","0.1321","0.096","","","0.2589","0.2802","","","","","","1.129","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515946","8.5961","0.0001","11.2877","0.0002","12.684","0.0002","110.581","0.001","95.048","0.001","95.743","0.001","1136.33","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N -","- C32 H25 N -","- C64 H50 N2 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","x-ray","1.54184","CuKα","","0.0476","0.0454","","","0.1367","0.14","","","","","","1.063","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515947","19.4514","0.0014","8.0224","0.0006","14.5787","0.001","90","","99.218","0.006","90","","2245.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O2 -","- C31 H25 N O2 -","- C124 H100 N4 O8 -","4","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0566","0.0463","","","0.1214","0.1274","","","","","","1.025","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515948","8.9806","0.0004","11.4991","0.0005","11.998","0.0006","114.199","0.005","96.923","0.004","102.313","0.004","1073.66","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C31 H26 -","- C31 H26 -","- C62 H52 -","2","1","","Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab","Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.","ACS omega","2018","3","8","9114","9125","10.1021/acsomega.8b01258","","","0.71073","MoKα","","0.0563","0.0472","","","0.1297","0.1354","","","","","","1.073","","","","has coordinates","226018","2020-10-21","18:00:00",""
"4515949","25.666","0.004","46.332","0.007","8.4689","0.0013","90","","90","","90","","10071","3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C27 H34 Cl N O3 -","- C27 H34 Cl N O3 -","- C432 H544 Cl16 N16 O48 -","16","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0702","0.0549","","","0.1042","0.1101","","","","","","1.041","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515950","9.2802","0.0014","14.072","0.002","11.6193","0.0018","90","","90.084","0.002","90","","1517.4","0.4","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl N O3 Si -","- C18 H12 Cl N O3 Si -","- C72 H48 Cl4 N4 O12 Si4 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0404","0.0385","","","0.1008","0.1023","","","","","","1.044","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515951","14.414","0.002","14.414","0.002","24.558","0.004","90","","90","","120","","4418.7","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C54 H60 N2 O7 Si2 -","- C54 H60 N2 O7 Si2 -","- C162 H180 N6 O21 Si6 -","3","0.166667","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0452","0.0424","","","0.1153","0.1175","","","","","","1.056","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515952","60.459","0.013","12.913","0.003","16.786","0.004","90","","100.08","0.006","90","","12903","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H39 N O3 Si5 -","- C27 H39 N O3 Si5 -","- C432 H624 N16 O48 Si80 -","16","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0672","0.0513","","","0.1254","0.1339","","","","","","1.026","","","","has coordinates","255316","2020-10-21","18:00:00",""
"4515953","19.675","0.004","13.965","0.003","18.335","0.003","90","","92.701","0.003","90","","5032.2","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H69 N O3 Si10 -","- C37 H69 N O3 Si10 -","- C148 H276 N4 O12 Si40 -","4","1","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.055","0.0487","","","0.1192","0.123","","","","","","1.124","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515954","13.822","0.004","17.584","0.005","20.129","0.005","87.588","0.004","75.904","0.004","70.969","0.004","4482","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N O4 Si5 -","- C40 H65 N O4 Si5 -","- C160 H260 N4 O16 Si20 -","4","2","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0872","0.0741","","","0.1714","0.177","","","","","","1.133","","","","has coordinates,has disorder","226019","2020-10-21","18:00:00",""
"4515955","14.3849","0.0018","14.3849","0.0018","22.169","0.004","90","","90","","120","","3972.7","1","100","2","100","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C36 H57 N O3 Si5 -","- C36 H57 N O3 Si5 -","- C144 H228 N4 O12 Si20 -","4","0.333333","","Aghazadeh Meshgi, Mohammad; Zaitsev, Kirill V.; Vener, Mikhail V.; Churakov, Andrei V.; Baumgartner, Judith; Marschner, Christoph","Hypercoordinated Oligosilanes Based on Aminotrisphenols.","ACS omega","2018","3","8","10317","10330","10.1021/acsomega.8b01402","","","0.71073","MoKα","","0.0611","0.0599","","","0.1355","0.1361","","","","","","1.261","","","","has coordinates","226019","2020-10-21","18:00:00",""
"4515956","13.19","0.05","16.96","0.06","20.32","0.07","90","","90","","90","","4546","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","NRM018","NRM018","","- C26 H17 N3 O5 -","- C26 H17 N3 O5 -","- C208 H136 N24 O40 -","8","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0803","0.0546","","","0.1261","0.141","","","","","","1.086","","","","has coordinates,has disorder","226020","2020-10-21","18:00:00",""
"4515957","13.399","0.019","10.904","0.014","16.85","0.02","90","","112.68","0.02","90","","2271","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NRM010","NRM010","","- C26 H16 Br2 N2 O3 -","- C26 H16 Br2 N2 O3 -","- C104 H64 Br8 N8 O12 -","4","1","","Mupparapu, Nagaraju; Khan, Shahnawaz; Bandhoria, Pankaj; Athimoolam, Shunmuganarayanan; Ahmed, Qazi Naveed","One-Pot Tandem Approach to Functionalized 3-Hydroxy-2-furanyl-acrylamides.","ACS omega","2018","3","5","5445","5452","10.1021/acsomega.8b00715","","","0.71073","MoKα","","0.0597","0.0348","","","0.0755","0.0839","","","","","","1.021","","","","has coordinates","226021","2020-10-21","18:00:00",""
"4515958","7.661","0.0005","7.8138","0.0004","23.4172","0.0019","90","","90","","90","","1401.79","0.16","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N4 O2 S -","- C12 H16 N4 O2 S -","- C48 H64 N16 O8 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.081","0.0769","","","0.2093","0.2168","","","","","","1.113","","","","has coordinates","226022","2020-10-21","18:00:00",""
"4515959","10.0167","0.0003","7.5935","0.0002","12.506","0.0003","90","","107.618","0.003","90","","906.61","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H24 N4 O3 S -","- C15 H24 N4 O3 S -","- C30 H48 N8 O6 S2 -","2","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.0695","0.0601","","","0.1955","0.1999","","","","","","1.251","","","","has coordinates","226023","2020-10-21","18:00:00",""
"4515960","19.453","0.002","7.6077","0.0005","13.2277","0.0007","90","","90","","90","","1957.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H24 N4 O3 S -","- C19 H24 N4 O3 S -","- C76 H96 N16 O12 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","0.71073","MoKα","","0.0512","0.0433","","","0.098","0.1034","","","","","","1.04","","","","has coordinates,has disorder","226024","2020-10-21","18:00:00",""
"4515961","11.561","0.002","20.663","0.004","28.603","0.005","99.883","0.006","90.591","0.006","94.939","0.006","6704","2","153","","153.03","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 O2 -","- C46 H38 O2 -","- C368 H304 O16 -","8","4","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.067","0.0638","","","0.1875","0.1912","","","","","","1.046","","","","has coordinates,has disorder","226025","2020-10-21","18:00:00",""
"4515962","51.797","0.003","51.797","0.003","6.5592","0.0004","90","","90","","120","","15240.2","1.6","153","2","153","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C828 H612 O36 -","18","1","","Liu, Rui; Ran, Huijuan; Zhao, Zhen; Yang, Xueli; Zhang, Jiali; Chen, Lijuan; Sun, Huaming; Hu, Jian-Yong","Synthesis and Optical Properties of Donor-Acceptor-Type 1,3,5,9-Tetraarylpyrenes: Controlling Intramolecular Charge-Transfer Pathways by the Change of π-Conjugation Directions for Emission Color Modulations.","ACS omega","2018","3","5","5866","5875","10.1021/acsomega.8b00583","","","1.54178","CuKα","","0.0644","0.0522","","","0.1448","0.1545","","","","","","1.076","","","","has coordinates","226026","2020-10-21","18:00:00",""
"4515963","13.8545","0.0016","8.0296","0.0009","23.616","0.003","90","","99.037","0.002","90","","2594.6","0.5","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H65 B Cl7 Co N9 O3 -","- C44 H65 B Cl7 Co N9 O3 -","- C88 H130 B2 Cl14 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.0951","0.0568","","","0.106","0.121","","","","","","1.011","","","","has coordinates","226027","2020-10-21","18:00:00",""
"4515964","10.867","0.0014","10.9382","0.0014","22.644","0.003","90.95","0.003","103.366","0.003","116.98","0.003","2310.7","0.5","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C48 H66 B Cl Co N6 O7 -","- C48 H66 B Cl Co N6 O7 -","- C96 H132 B2 Cl2 Co2 N12 O14 -","2","2","","Pavlov, Alexander A.; Savkina, Svetlana A.; Belov, Alexander S.; Voloshin, Yan Z.; Nelyubina, Yulia V.; Novikov, Valentin V.","Very Large Magnetic Anisotropy of Cage Cobalt(II) Complexes with a Rigid Cholesteryl Substituent from Paramagnetic NMR Spectroscopy.","ACS omega","2018","3","5","4941","4946","10.1021/acsomega.8b00772","","","0.71073","MoKα","","0.113","0.0616","","","0.1161","0.1356","","","","","","1.002","","","","has coordinates","226028","2020-10-21","18:00:00",""
"4515965","9.384","0.005","11.242","0.005","9.451","0.005","90","","118.112","0.006","90","","879.4","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","RS163B","","","- C20 H24 N O P -","- C20 H24 N O P -","- C40 H48 N2 O2 P2 -","2","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","0.71073","MoKα","","0.1153","0.0742","","","0.1501","0.1855","","","","","","1.085","","","","has coordinates","226029","2020-10-21","18:00:00",""
"4515966","9.4402","0.0005","15.011","0.0008","15.5913","0.0008","90","","90","","90","","2209.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","R1","","","- C20 H28 Cl N O P Sn -","- C20 H28 Cl N O P Sn -","- C80 H112 Cl4 N4 O4 P4 Sn4 -","4","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","1.54178","CuKα","","0.0473","0.0435","","","0.1106","0.1161","","","","","","1.066","","","","has coordinates","226030","2020-10-21","18:00:00",""
"4515967","7.8531","0.0005","7.4811","0.0004","34.767","0.002","90","","91.88","0.003","90","","2041.5","0.2","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DMAP","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","1","","Kim, Sonam; Lee, Hyuck Jin; Nam, Eunju; Jeong, Donghyun; Cho, Jaeheung; Lim, Mi Hee; You, Youngmin","Tailoring Hydrophobic Interactions between Probes and Amyloid-β Peptides for Fluorescent Monitoring of Amyloid-β Aggregation.","ACS omega","2018","3","5","5141","5154","10.1021/acsomega.8b00286","","","0.71073","MoKa","","0.1092","0.0752","","","0.1237","0.1347","","","","","","1.174","","","","has coordinates","226031","2020-10-21","18:00:00",""
"4515968","9.8032","0.0002","10.2942","0.0003","32.2199","0.0008","84.987","0.001","82.061","0.001","79.035","0.001","3155.3","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 F2 N2 -","- C27 H18 F2 N2 -","- C162 H108 F12 N12 -","6","3","","Adak, Anirban; Panda, Tamas; Raveendran, Anju; Bejoymohandas, Kochan Sathyaseelan; Asha, K. S.; Prakasham, A. P.; Mukhopadhyay, Balaram; Panda, Manas K.","Distinct Mechanoresponsive Luminescence, Thermochromism, Vapochromism, and Chlorine Gas Sensing by a Solid-State Organic Emitter.","ACS omega","2018","3","5","5291","5300","10.1021/acsomega.8b00250","","","0.71073","MoKα","","0.1529","0.0539","","","0.1244","0.1686","","","","","","1.006","","","","has coordinates","226032","2020-10-21","18:00:00",""
"4515969","8.1549","0.0007","14.3911","0.0012","16.5026","0.0012","90","","90","","90","","1936.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C88 H112 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0814","0.0451","","","0.0867","0.1005","","","","","","1.057","","","","has coordinates","226033","2020-10-21","18:00:00",""
"4515970","6.8071","0.0017","23.863","0.006","11.839","0.003","90","","106.646","0.006","90","","1842.5","0.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0611","0.0424","","","0.0951","0.1054","","","","","","1.0451","","","","has coordinates","226034","2020-10-21","18:00:00",""
"4515971","13.9951","0.0007","14.273","0.0008","17.845","0.001","111.769","0.002","91.652","0.002","90.047","0.002","3308.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28.36 Cl8 Cu I7.64 N7 -","- C64 H28.3603 Cl8 Cu I7.6397 N7 -","- C128 H56.7206 Cl16 Cu2 I15.2794 N14 -","2","1","","Thomassen, Ivar K.; McCormick, Laura J.; Ghosh, Abhik","Synthesis and Molecular Structure of a Copper Octaiodocorrole.","ACS omega","2018","3","5","5106","5110","10.1021/acsomega.8b00616","","","0.7288","synchrotron","","0.0596","0.0399","","","0.0693","0.0741","","","","","","1.158","","","","has coordinates,has disorder","226035","2020-10-21","18:00:00",""
"4515972","9.3213","0.0009","10.4713","0.0009","13.69","0.0012","74.53","0.003","72.545","0.003","75.112","0.003","1205.56","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O2 -","- C30 H29 N O2 -","- C60 H58 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0962","0.0552","","","0.1264","0.1437","","","","","","1.019","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515973","10.7035","0.0008","11.4095","0.0009","14.0481","0.001","73.172","0.002","79.467","0.002","69.183","0.002","1528.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H33 N O2 -","- C40 H33 N O2 -","- C80 H66 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0921","0.0543","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515974","10.5416","0.0008","12.2467","0.0009","14.2079","0.0011","68.214","0.002","81.502","0.003","69.115","0.002","1591.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl N O2 -","- C40 H32 Cl N O2 -","- C80 H64 Cl2 N2 O4 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.2065","0.0792","","","0.1654","0.2081","","","","","","1.008","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515975","11.358","0.0005","17.3299","0.0008","14.9918","0.0007","90","","104.821","0.0014","90","","2852.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F N O3 -","- C34 H36 F N O3 -","- C136 H144 F4 N4 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.0912","0.0511","","","0.1167","0.1337","","","","","","1.025","","","","has coordinates,has disorder","226036","2020-10-21","18:00:00",""
"4515976","10.1699","0.0012","11.6903","0.0014","12.6092","0.0014","96.819","0.004","108.525","0.003","113.464","0.003","1251","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O4 -","- C32 H23 N O4 -","- C64 H46 N2 O8 -","2","1","","Yang, Ren-Yin; Sun, Jing; Yan, Chao-Guo","HOAc-Mediated Domino Diels-Alder Reaction for Synthesis of Spiro[cyclohexane-1,3'-indolines] in Ionic Liquid [Bmim]Br.","ACS omega","2018","3","5","5406","5416","10.1021/acsomega.8b00464","","","0.71073","MoKα","","0.1023","0.0518","","","0.1099","0.1287","","","","","","1.024","","","","has coordinates","226036","2020-10-21","18:00:00",""
"4515977","10.7169","0.0009","14.4134","0.0012","13.8384","0.0011","90","","100.691","0.0015","90","","2100.5","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H34 Br N Ni P2 -","- C16 H34 Br N Ni P2 -","- C64 H136 Br4 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0338","0.0285","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515978","8.6545","0.0008","10.983","0.0009","23.2849","0.0019","90","","90.049","0.003","90","","2213.3","0.3","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Br2 N Ni P2 -","- C16 H37 Br2 N Ni P2 -","- C64 H148 Br8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0889","0.0543","","","0.0902","0.1","","","","","","1.002","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515979","10.0515","0.0004","12.4032","0.0005","18.8698","0.0007","90","","96.8592","0.0013","90","","2335.67","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H41 N Ni P2 -","- C22 H41 N Ni P2 -","- C88 H164 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0308","0.0251","","","0.0582","0.0617","","","","","","1.081","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515980","10.1178","0.0005","12.3184","0.0006","18.8095","0.0009","90","","96.5365","0.0008","90","","2329.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H39 N Ni P2 -","- C22 H39 N Ni P2 -","- C88 H156 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0422","0.03","","","0.0716","0.0777","","","","","","1.026","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515981","8.0453","0.0007","26.962","0.002","11.6488","0.001","90","","94.268","0.003","90","","2519.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0594","0.0398","","","0.0875","0.0953","","","","","","1.025","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515982","8.5129","0.0011","14.7798","0.0019","10.922","0.0014","90","","98.3608","0.0019","90","","1359.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H42 F6 N Ni P3 -","- C22 H42 F6 N Ni P3 -","- C44 H84 F12 N2 Ni2 P6 -","2","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0486","0.0429","","","0.1141","0.1185","","","","","","1.031","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515983","23.872","0.003","12.8733","0.0014","32.405","0.003","90","","102.298","0.003","90","","9729.9","1.9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 B N Ni O1.5 P2 -","- C52 H74 B N Ni O1.5 P2 -","- C416 H592 B8 N8 Ni8 O12 P16 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0749","0.045","","","0.1041","0.1173","","","","","","1.01","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515984","32.1922","0.0009","15.3802","0.0004","17.2936","0.0005","90","","119.352","0.001","90","","7463.2","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C68 H85 Cl4 D24 N2 Ni3 O0.5 P4 -","- C272 H340 Cl16 D96 N8 Ni12 O2 P16 -","4","0.5","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.54178","CuKα","","0.0449","0.0396","","","0.1051","0.1098","","","","","","1.019","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515985","7.5986","0.0004","8.7665","0.0005","17.3743","0.0009","76.1042","0.0019","85.058","0.002","67.0003","0.0018","1034.14","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H39 N Ni P2 -","- C17 H39 N Ni P2 -","- C34 H78 N2 Ni2 P4 -","2","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.058","0.0364","","","0.0644","0.0726","","","","","","1.072","","","","has coordinates,has disorder","226037","2020-10-21","18:00:00",""
"4515986","12.6037","0.0007","8.7388","0.0006","19.9677","0.0012","90","","99.276","0.002","90","","2170.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Cl N Ni P2 -","- C17 H40 Cl N Ni P2 -","- C68 H160 Cl4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0362","0.0267","","","0.0617","0.066","","","","","","1.068","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515987","12.7823","0.0007","8.7196","0.0005","20.1343","0.001","90","","99.226","0.002","90","","2215.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 Br N Ni P2 -","- C17 H40 Br N Ni P2 -","- C68 H160 Br4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.7749","synchrotron","","0.0319","0.0251","","","0.0605","0.0634","","","","","","1.027","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515988","17.6124","0.0013","12.9737","0.001","18.4955","0.0013","90","","112.686","0.0013","90","","3899.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H60 B N Ni P2 -","- C41 H60 B N Ni P2 -","- C164 H240 B4 N4 Ni4 P8 -","4","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","1.0333","synchrotron","","0.0325","0.0288","","","0.068","0.0699","","","","","","1.06","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515989","8.7102","0.0003","10.8084","0.0004","22.818","0.0007","90","","90.016","0.001","90","","2148.16","0.13","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C16 H37 Cl2 N Ni P2 -","- C16 H37 Cl2 N Ni P2 -","- C64 H148 Cl8 N4 Ni4 P8 -","4","2","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0235","0.0211","","","0.0471","0.0485","","","","","","1.049","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515990","18.8225","0.0005","18.8225","0.0005","8.3226","0.0003","90","","90","","90","","2948.58","0.15","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C12 H21 I N2 Ni -","- C12 H21 I N2 Ni -","- C96 H168 I8 N16 Ni8 -","8","1","","Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong","Roles of Hydrogen Bonding in Proton Transfer to κ<sup>P</sup>,κ<sup>N</sup>,κ<sup>P</sup>-N(CH<sub>2</sub>CH<sub>2</sub>P <i> <sup>i</sup> </i> Pr<sub>2</sub>)<sub>2</sub>-Ligated Nickel Pincer Complexes.","ACS omega","2018","3","5","4986","5001","10.1021/acsomega.8b00777","","","0.71073","MoKα","","0.0245","0.0189","","","0.0389","0.0411","","","","","","1.067","","","","has coordinates","226037","2020-10-21","18:00:00",""
"4515991","29.3277","0.0014","21.7233","0.0018","15.2203","0.0005","90","","103.351","0.004","90","","9434.7","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H30 Eu2 N12 O12 -","- C48 H31 Eu2 N12 O12 -","- C192 H124 Eu8 N48 O48 -","4","1","","Yao, Jin; Zhao, Yan-Wu; Zhang, Xian-Ming","Breathing Europium-Terbium Co-doped Luminescent MOF as a Broad-Range Ratiometric Thermometer with a Contrasting Temperature-Intensity Relationship.","ACS omega","2018","3","5","5754","5760","10.1021/acsomega.8b00199","","","0.71073","MoKα","","0.1917","0.1499","","","0.3856","0.4087","","","","","","1.161","","","","has coordinates","226038","2020-10-21","18:00:00",""
"4515992","12.9768","0.0012","15.5079","0.0015","23.549","0.002","90","","96.737","0.001","90","","4706.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Y4 -","- C64 H100 N8 Ni4 O36 Y4 -","- C128 H200 N16 Ni8 O72 Y8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.092","0.0457","","","0.0959","0.1098","","","","","","1.012","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515993","12.8381","0.0006","15.4317","0.0006","23.4889","0.001","90","","96.593","0.003","90","","4622.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Gd4 N8 Ni4 O36 -","- C64 H100 Gd4 N8 Ni4 O36 -","- C128 H200 Gd8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0464","0.037","","","0.0985","0.1032","","","","","","1.035","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515994","12.9219","0.0008","15.516","0.001","23.5346","0.0013","90","","96.576","0.003","90","","4687.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N8 Ni4 O36 Tb4 -","- C64 H100 N8 Ni4 O36 Tb4 -","- C128 H200 N16 Ni8 O72 Tb8 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.09","0.052","","","0.1333","0.1574","","","","","","1.058","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515995","12.832","0.003","15.413","0.003","23.419","0.005","90","","96.765","0.004","90","","4599.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Dy4 N8 Ni4 O36 -","- C64 H100 Dy4 N8 Ni4 O36 -","- C128 H200 Dy8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0702","0.0484","","","0.1129","0.1313","","","","","","1.061","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515996","12.9771","0.0007","15.5019","0.0008","23.5655","0.0013","90","","96.714","0.003","90","","4708.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Ho4 N8 Ni4 O36 -","- C64 H100 Ho4 N8 Ni4 O36 -","- C128 H200 Ho8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0542","0.0357","","","0.0757","0.0831","","","","","","0.978","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515997","12.9222","0.0003","15.4758","0.0003","23.4658","0.0004","90","","96.601","0.001","90","","4661.61","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 Er4 N8 Ni4 O36 -","- C64 H100 Er4 N8 Ni4 O36 -","- C128 H200 Er8 N16 Ni8 O72 -","2","0.5","","Kalita, Pankaj; Goura, Joydeb; Herrera, Juan Manuel; Colacio, Enrique; Chandrasekhar, Vadapalli","Heterometallic Octanuclear Ni<sup>II</sup><sub>4</sub>Ln<sup>III</sup><sub>4</sub> (Ln = Y, Gd, Tb, Dy, Ho, Er) Complexes Containing Ni<sup>II</sup><sub>2</sub>Ln<sup>III</sup><sub>2</sub>O<sub>4</sub> Distorted Cubane Motifs: Synthesis, Structure, and Magnetic Properties.","ACS omega","2018","3","5","5202","5211","10.1021/acsomega.8b00292","","x-ray","0.71073","MoKα","","0.0844","0.043","","","0.0977","0.1159","","","","","","1.007","","","","has coordinates","226039","2020-10-21","18:00:00",""
"4515998","7.72","0.004","8.727","0.005","11.731","0.006","82.547","0.013","79.592","0.013","67.366","0.012","715.9","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N4 S -","- C13 H18 N4 S -","- C26 H36 N8 S2 -","2","1","","Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah","Iodine-Catalyzed Chemoselective Hydroamination Reaction Using 5-Mercaptotetrazoles Derivatives.","ACS omega","2018","3","5","4908","4917","10.1021/acsomega.8b00499","","x-ray","0.71073","MoKα","","0.1661","0.0424","","","0.1198","0.1286","","","","","","1.128","","","","has coordinates","226040","2020-10-21","18:00:00",""
"4515999","17.0948","0.0003","7.0396","0.0001","17.6526","0.0003","90","","91.814","0.001","90","","2123.26","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Au B Cl P -","- C21 H30 Au B Cl P -","- C84 H120 Au4 B4 Cl4 P4 -","4","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0399","0.0347","","","0.0788","0.0824","","","","","","1.065","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516000","28.3351","0.0008","11.3935","0.0003","27.095","0.0007","90","","112.237","0.003","90","","8096.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H60 Au B2 Cl P2 -","- C42 H60 Au B2 Cl P2 -","- C336 H480 Au8 B16 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0428","0.0319","","","0.0672","0.0728","","","","","","1.04","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516001","19.0712","0.0008","18.7238","0.0007","23.2135","0.001","90","","90","","90","","8289.2","0.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H57 Au B Cl P2 -","- C44 H57 Au B Cl P2 -","- C352 H456 Au8 B8 Cl8 P16 -","8","1","","Boom, Devin H. A.; Ehlers, Andreas W.; Nieger, Martin; Devillard, Marc; Bouhadir, Ghenwa; Bourissou, Didier; Slootweg, J. Chris","Gold(I) Complexes of the Geminal Phosphinoborane <i>t</i>Bu<sub>2</sub>PCH<sub>2</sub>BPh<sub>2</sub>.","ACS omega","2018","3","4","3945","3951","10.1021/acsomega.8b00143","","","0.71073","MoKα","","0.0464","0.0272","","","0.049","0.056","","","","","","1.081","","","","has coordinates","226042","2020-10-21","18:00:00",""
"4516002","11.398","0.003","13.023","0.003","18.513","0.004","100.166","0.004","103.867","0.004","110.924","0.004","2385.6","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Ag2 Br4 N4 -","- C40 H40 Ag2 Br4 N4 -","- C80 H80 Ag4 Br8 N8 -","2","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.1238","0.0855","","","0.2535","0.2918","","","","","","1.049","","","","has coordinates","226043","2020-10-21","18:00:00",""
"4516003","8.4181","0.0006","29.944","0.002","15.6855","0.0009","90","","108.026","0.003","90","","3759.8","0.4","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 Ag2 Br2 Cl2 N6 -","- C39 H38 Ag2 Br2 Cl2 N6 -","- C156 H152 Ag8 Br8 Cl8 N24 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0795","0.0748","","","0.1795","0.1822","","","","","","1.034","","","","has coordinates,has disorder","226044","2020-10-21","18:00:00",""
"4516004","13.0472","0.001","12.5773","0.001","18.2141","0.0015","90","","90.564","0.001","90","","2988.8","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Ag2 Br2 N4 -","- C32 H34 Ag2 Br2 N4 -","- C128 H136 Ag8 Br8 N16 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0423","0.0314","","","0.0733","0.0782","","","","","","1.04","","","","has coordinates","226045","2020-10-21","18:00:00",""
"4516005","20.0687","0.0014","8.9504","0.0006","18.1404","0.0013","90","","106.464","0.001","90","","3124.8","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl4 N4 Pd2 -","- C30 H34 Cl4 N4 Pd2 -","- C120 H136 Cl16 N16 Pd8 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Zhao, Zhi-Xiang; Wei, Deng-Che; Li, Hui-Long","NHC Pd(II) and Ag(I) Complexes: Synthesis, Structure, and Catalytic Activity in Three Types of C-C Coupling Reactions.","ACS omega","2018","3","4","4035","4047","10.1021/acsomega.8b00205","","","0.71073","MoKα","","0.0451","0.04","","","0.1128","0.1166","","","","","","1.096","","","","has coordinates","226046","2020-10-21","18:00:00",""
"4516006","6.2327","0.0003","10.6629","0.0006","27.47","0.0013","90","","90","","90","","1825.62","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish","Self-Healing Hydrogel from a Dipeptide and HCl Sensing.","ACS omega","2018","3","4","3744","3751","10.1021/acsomega.8b00358","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1173","0.1231","","","","","","1.045","","","","has coordinates","226047","2020-10-21","18:00:00",""
"4516007","20.8293","0.0005","7.7968","0.0001","22.183","0.0005","90","","113.025","0.003","90","","3315.56","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N10 O10 -","- C32 H32 N10 O10 -","- C128 H128 N40 O40 -","4","1","","Havel, Václav; Sadilová, Tereza; Šindelář, Vladimír","Unsubstituted Bambusurils: Post-Macrocyclization Modification of Versatile Intermediates.","ACS omega","2018","3","4","4657","4663","10.1021/acsomega.8b00497","","","0.71073","MoKα","","0.0539","0.0389","","","0.0946","0.1031","","","","","","1.031","","","","has coordinates","226048","2020-10-21","18:00:00",""
"4516008","7.2243","0.001","8.0299","0.0011","9.8872","0.0013","110.099","0.002","90.348","0.002","98.938","0.002","531","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H5 F3 N4 S -","- C10 H5 F3 N4 S -","- C20 H10 F6 N8 S2 -","2","1","","Liu, Jin; Wang, Yu-Ling; Zhang, Ji-Hong; Yang, Jian-Shan; Mou, Han-Chuan; Lin, Jun; Yan, Sheng-Jiao","Phosphatase CDC25B Inhibitors Produced by Basic Alumina-Supported One-Pot Gram-Scale Synthesis of Fluorinated 2-Alkylthio-4-aminoquinazolines Using Microwave Irradiation.","ACS omega","2018","3","4","4534","4544","10.1021/acsomega.8b00640","","","0.71073","MoKα","","0.0503","0.0355","","","0.0928","0.1094","","","","","","1.052","","","","has coordinates","226049","2020-10-21","18:00:00",""
"4516009","6.07198","0.00018","26.2431","0.0007","11.6359","0.0003","90","","96.071","0.002","90","","1843.75","0.09","180","","180","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(7-benzyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyrrolidine-2,5-dione","","- C23 H18 N4 O2 -","- C23 H18 N4 O2 -","- C92 H72 N16 O8 -","4","1","","Sabat, Nazarii; Poštová Slavětínská, Lenka; Klepetářová, Blanka; Hocek, Michal","C-H Imidation of 7-Deazapurines.","ACS omega","2018","3","4","4674","4678","10.1021/acsomega.8b00520","","x-ray","1.54184","CuKα","","0.047","0.0414","","0.0547","0.0481","0.0481","","","","","","1.1098","","","","has coordinates","226050","2020-10-21","18:00:00",""
"4516010","5.2108","0.0003","17.0359","0.001","21.6439","0.0013","98.767","0.001","92.401","0.001","94.199","0.001","1891.05","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 Co1.5 N6 -","- C48 H54 Co1.5 N6 -","- C96 H108 Co3 N12 -","2","1","","Koide, Taro; Aritome, Isao; Saeki, Tatsuya; Morita, Yoshitsugu; Shiota, Yoshihito; Yoshizawa, Kazunari; Shimakoshi, Hisashi; Hisaeda, Yoshio","Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity.","ACS omega","2018","3","4","4027","4034","10.1021/acsomega.8b00239","","","0.71073","MoKα","","0.0823","0.0468","","","0.0798","0.0902","","","","","","1.007","","","","has coordinates","226051","2020-10-21","18:00:00",""
"4516011","23.6733","0.0017","18.9166","0.0013","17.611","0.0013","90","","109.708","0.003","90","","7424.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H68 Cu2 N8 O14 -","- C72 H68 Cu2 N8 O14 -","- C288 H272 Cu8 N32 O56 -","4","1","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1643","0.104","","","0.2757","0.2958","","","","","","0.961","","","","has coordinates,has disorder","226052","2020-10-21","18:00:00",""
"4516012","44.8511","0.001","19.046","0.0004","14.7115","0.0003","90","","102.38","0.001","90","","12274.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C112 H100 Cu4 N12 O37 -","- C112 H100 Cu4 N12 O37 -","- C448 H400 Cu16 N48 O148 -","4","0.5","","Bhattacharyya, Sohini; Chakraborty, Anindita; Hazra, Arpan; Maji, Tapas Kumar","Tetracarboxylate Linker-Based Flexible Cu<sup>II</sup> Frameworks: Efficient Separation of CO<sub>2</sub> from CO<sub>2</sub>/N<sub>2</sub> and C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/C<sub>2</sub>H<sub>4</sub> Mixtures.","ACS omega","2018","3","2","2018","2026","10.1021/acsomega.7b01964","","","0.71073","MoKα","","0.1148","0.068","","","0.1871","0.217","","","","","","1.034","","","","has coordinates,has disorder","226053","2020-10-21","18:00:00",""
"4516013","32.6621","0.0015","21.5252","0.001","19.0566","0.0009","90","","90","","90","","13397.9","1.1","173","","173","0.3","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- H81.32 K12.87 O150.66 P5 W30 -","- K12.866 O150.662 P5 W30 -","- K51.464 O602.648 P20 W120 -","4","0.5","","Hayashi, Akio; Wihadi, Muh Nur Khoiru; Ota, Hiromi; López, Xavier; Ichihashi, Katsuya; Nishihara, Sadafumi; Inoue, Katsuya; Tsunoji, Nao; Sano, Tsuneji; Sadakane, Masahiro","Preparation of Preyssler-type Phosphotungstate with One Central Potassium Cation and Potassium Cation Migration into the Preyssler Molecule to form Di-Potassium-Encapsulated Derivative.","ACS omega","2018","3","2","2363","2373","10.1021/acsomega.8b00163","","","0.71073","MoKα","","0.0331","0.0229","","","0.0482","0.0522","","","","","","1.073","","","","has coordinates,has disorder","226054","2020-10-21","18:00:00",""
"4516014","12.43","0.004","9.127","0.003","21.477","0.007","90","","90.584","0.008","90","","2436.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N0 O3 S -","- C27 H32 O3 S -","- C108 H128 O12 S4 -","4","1","","Liu, Teng; Liu, Jianjun; Xia, Shubiao; Meng, Jie; Shen, Xianfu; Zhu, Xiufang; Chen, Wenchang; Sun, Chengke; Cheng, Feixiang","Catalyst-Free 1,6-Conjugate Addition/Aromatization/Sulfonylation of <i>para</i>-Quinone Methides: Facile Access to Diarylmethyl Sulfones.","ACS omega","2018","3","2","1409","1415","10.1021/acsomega.7b01745","","","0.71073","MoKα","","0.2008","0.0744","","","0.2006","0.2529","","","","","","1.025","","","","has coordinates","226055","2020-10-21","18:00:00",""
"4516015","15.7722","0.001","8.8439","0.0007","23.3357","0.0012","90","","128.255","0.003","90","","2556.1","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 F3 N3 O3 S -","- C29 H22 F3 N3 O3 S -","- C116 H88 F12 N12 O12 S4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1052","0.0584","","","0.1032","0.1181","","","","","","1.009","","","","has coordinates","226056","2020-10-21","18:00:00",""
"4516016","14.831","0.002","8.5492","0.0013","18.749","0.002","90","","104.09","0.006","90","","2305.7","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl F6 N3 P Rh -","- C20 H26 Cl F6 N3 P Rh -","- C80 H104 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.0345","0.0308","","","0.0793","0.0817","","","","","","1.019","","","","has coordinates","226057","2020-10-21","18:00:00",""
"4516017","24.1002","0.001","15.1276","0.0006","13.5007","0.0006","90","","116.068","0.002","90","","4421.4","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 F6 N3 P -","- C24 H22 F6 N3 P -","- C192 H176 F48 N24 P8 -","8","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1074","0.0688","","","0.1862","0.2046","","","","","","1.313","","","","has coordinates","226058","2020-10-21","18:00:00",""
"4516018","9.1839","0.0012","27.796","0.004","9.7373","0.0013","90","","94.388","0.004","90","","2478.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N3 P Rh -","- C24 H28 Cl F6 N3 P Rh -","- C96 H112 Cl4 F24 N12 P4 Rh4 -","4","1","","Dutta, Champak; Ghorai, Debasish; Choudhury, Joyanta","To ""Rollover"" or Not? Stereoelectronically Guided C-H Functionalization Pathways from Rhodium-Abnormal NHC Intermediates.","ACS omega","2018","3","2","1614","1620","10.1021/acsomega.7b01846","","","0.71073","MoKα","","0.1078","0.0779","","","0.1589","0.1709","","","","","","1.116","","","","has coordinates","226059","2020-10-21","18:00:00",""
"4516019","11.612","0.0003","13.3307","0.0004","13.8927","0.0005","62.692","0.003","85.611","0.002","70.196","0.003","1789.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 N4 O Ru -","- C36 H48 Cl2 N4 O Ru -","- C72 H96 Cl4 N8 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0243","0.0222","","","0.0526","0.0534","","","","","","1.045","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516020","11.04197","0.00015","13.3361","0.0003","13.4517","0.0003","69.6572","0.0018","83.3894","0.0013","82.6029","0.0013","1836.57","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Cl5 N3 O Ru -","- C34 H44 Cl5 N3 O Ru -","- C68 H88 Cl10 N6 O2 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0459","0.0418","","","0.1011","0.1036","","","","","","1.037","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516021","9.9088","0.0002","11.7379","0.0002","14.6956","0.0003","109.254","0.0019","99.6774","0.0018","107.508","0.0018","1469.48","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N3 O2 Ru -","- C30 H39 Cl2 N3 O2 Ru -","- C60 H78 Cl4 N6 O4 Ru2 -","2","1","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","","0.71073","MoKα","","0.0293","0.0248","","","0.0599","0.0616","","","","","","1.043","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516022","9.8105","0.0003","15.9779","0.0003","14.0138","0.0004","90","","106.163","0.003","90","","2109.85","0.1","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Ag2 N6 O2 -","- C46 H56 Ag2 N6 O2 -","- C92 H112 Ag4 N12 O4 -","2","0.5","","Kumar, Dharmendra; Prakasham, A. P.; Das, Sharmistha; Datta, Anindya; Ghosh, Prasenjit","Cyanosilylation of Aromatic Aldehydes by Cationic Ruthenium(II) Complexes of Benzimidazole-Derived O-Functionalized N-Heterocyclic Carbenes at Ambient Temperature under Solvent-Free Conditions.","ACS omega","2018","3","2","1922","1938","10.1021/acsomega.7b02090","","x-ray","0.71073","MoKα","","0.0287","0.0272","","","0.0715","0.0723","","","","","","1.056","","","","has coordinates","226060","2020-10-21","18:00:00",""
"4516023","11.585","0.0009","11.6149","0.0011","13.2151","0.0012","99.42","0.002","113.923","0.004","103.89","0.003","1508.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 N2 O7 S2 -","- C33 H28 N2 O7 S2 -","- C66 H56 N4 O14 S4 -","2","1","","Wang, Ai-Fang; Hao, Wen-Juan; Zhu, Yi-Long; Li, Guigen; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Double SO<sub>2</sub> Insertion into 1,7-Diynes Leading to Functionalized Naphtho[1,2-<i>c</i>]thiophene 2,2-dioxides.","ACS omega","2018","3","2","1482","1491","10.1021/acsomega.7b01789","","","0.71073","MoKα","","0.1491","0.0647","","","0.1491","0.1827","","","","","","0.833","","","","has coordinates,has disorder","226061","2020-10-21","18:00:00",""
"4516024","8.6965","0.0017","13.393","0.003","21.541","0.004","90","","95.392","0.003","90","","2497.8","0.9","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H33 Cl2 N3 Pd -","- C25 H33 Cl2 N3 Pd -","- C100 H132 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71075","MoKα","","0.0289","0.026","","","0.0651","0.0668","","","","","","1.052","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516025","14.7426","0.0006","8.5735","0.0003","19.6079","0.0008","90","","90","","90","","2478.35","0.17","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 Cl2 N3 Pd -","- C24 H31 Cl2 N3 Pd -","- C96 H124 Cl8 N12 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0973","0.0522","","","0.0875","0.1029","","","","","","1.005","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516026","8.6515","0.0002","13.5074","0.0003","21.4232","0.0006","90","","98.636","0.003","90","","2475.12","0.11","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl2 N3 O Pd -","- C24 H31 Cl2 N3 O Pd -","- C96 H124 Cl8 N12 O4 Pd4 -","4","1","","Singh, Chandan; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Ghosh, Prasenjit","One-Pot Tandem Hiyama Alkynylation/Cyclizations by Palladium(II) Acyclic Diaminocarbene (ADC) Complexes Yielding Biologically Relevant Benzofuran Scaffolds.","ACS omega","2018","3","2","1740","1756","10.1021/acsomega.7b01974","","","0.71073","MoKα","","0.0413","0.0337","","","0.0716","0.0771","","","","","","1.077","","","","has coordinates","226062","2020-10-21","18:00:00",""
"4516027","8.5727","0.0003","9.0053","0.0004","26.1687","0.001","90","","90","","90","","2020.22","0.14","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O4 -","- C22 H30 Cl N O4 -","- C88 H120 Cl4 N4 O16 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0664","0.0646","","0.1817","0.1801","0.1817","","","","","","1.0212","","","","has coordinates","226063","2020-10-21","18:00:00",""
"4516028","7.8673","0.0002","9.5188","0.0002","26.3409","0.0005","90","","90","","90","","1972.6","0.08","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.488 H33.976 N O3 -","- C21.489 H33.976 N O3 -","- C85.956 H135.904 N4 O12 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0324","0.0313","","0.0785","0.0776","0.0785","","","","","","1.0016","","","","has coordinates","226064","2020-10-21","18:00:00",""
"4516029","8.3874","0.0003","10.6644","0.0006","13.5952","0.0007","69.268","0.005","89.374","0.004","71.779","0.004","1073.44","0.1","150","","150","","","","","","","","local","4","P 1","P 1","1","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.047","0.0465","","0.1294","0.1287","0.1294","","","","","","1.0188","","","","has coordinates","226065","2020-10-21","18:00:00",""
"4516030","7.4614","0.0001","9.6133","0.0001","28.5458","0.0002","90","","90","","90","","2047.55","0.04","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C84 H128 Cl4 N4 O8 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0241","0.0236","","0.0613","0.0609","0.0613","","","","","","1.0098","","","","has coordinates","226066","2020-10-21","18:00:00",""
"4516031","9.0105","0.0001","13.7999","0.0001","33.4435","0.0002","90","","90","","90","","4158.5","0.06","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O4 -","- C22 H32 Cl N O4 -","- C176 H256 Cl8 N8 O32 -","8","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0342","0.0329","","0.0825","0.0818","0.0825","","","","","","1.0279","","","","has coordinates","226067","2020-10-21","18:00:00",""
"4516032","12.707","0.0006","18.741","0.001","19.0369","0.0008","90","","90","","90","","4533.5","0.4","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H70 N2 O8 -","- C46 H70 N2 O8 -","- C184 H280 N8 O32 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0913","0.067","","0.1712","0.1562","0.1712","","","","","","0.9869","","","","has coordinates","226068","2020-10-21","18:00:00",""
"4516033","10.1135","0.0003","8.7052","0.0001","11.4139","0.0003","90","","113.189","0.003","90","","923.7","0.04","150","","150","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C21 H30 Cl N O2 -","- C21 H30 Cl N O2 -","- C42 H60 Cl2 N2 O4 -","2","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0314","0.0307","","0.084","0.0831","0.084","","","","","","1.0051","","","","has coordinates","226069","2020-10-21","18:00:00",""
"4516034","20.5724","0.0006","9.8586","0.0003","9.7866","0.0003","90","","97.143","0.003","90","","1969.47","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O5 -","- C21 H20 Cl N3 O5 -","- C84 H80 Cl4 N12 O20 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0997","0.0677","","","0.1684","0.1989","","","","","","1.076","","","","has coordinates","226070","2020-10-21","18:00:00",""
"4516035","21.344","0.0009","9.9544","0.0004","17.4685","0.0008","90","","102.041","0.004","90","","3629.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cl2 N6 O8 -","- C37 H40 Cl2 N6 O8 -","- C148 H160 Cl8 N24 O32 -","4","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0712","0.0571","","","0.138","0.1475","","","","","","1.077","","","","has coordinates,has disorder","226071","2020-10-21","18:00:00",""
"4516036","9.2238","0.0002","12.4815","0.0002","17.0725","0.0003","86.285","0.001","89.375","0.002","82.224","0.002","1943.33","0.06","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Cl2 N6 O10 -","- C40 H42 Cl2 N6 O10 -","- C80 H84 Cl4 N12 O20 -","2","1","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.0519","0.0418","","","0.1095","0.1188","","","","","","1.064","","","","has coordinates","226072","2020-10-21","18:00:00",""
"4516037","15.721","0.0002","19.4546","0.0003","25.7568","0.0004","90","","97.94","0.002","90","","7802.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl2 N6 O11 -","- C38 H48 Cl2 N6 O11 -","- C304 H384 Cl16 N48 O88 -","8","2","","Joshi, Mayank; Roy Choudhury, Angshuman","Salts of Amoxapine with Improved Solubility for Enhanced Pharmaceutical Applicability.","ACS omega","2018","3","2","2406","2416","10.1021/acsomega.7b02023","","x-ray","0.71073","MoKα","","0.1405","0.0699","","","0.1711","0.2243","","","","","","1.037","","","","has coordinates","226073","2020-10-21","18:00:00",""
"4516038","11.085","0.003","16.394","0.005","17.644","0.005","71.995","0.013","83.901","0.012","83.563","0.013","3021.4","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22.75 H23 Cl2 Fe N12 O12.75 -","- C22.75 H20 Cl2 Fe N12 O12.75 -","- C91 H80 Cl8 Fe4 N48 O51 -","4","2","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.1395","0.0731","","","0.1603","0.1887","","","","","","1.034","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516039","9.678","0.003","9.79","0.003","16.669","0.005","85.581","0.015","80.683","0.016","81.201","0.015","1538","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Br2 Cl2 Fe N6 O13 -","- C23 H20 Br2 Cl2 Fe N6 O13 -","- C46 H40 Br4 Cl4 Fe2 N12 O26 -","2","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0481","0.0438","","","0.1016","0.1038","","","","","","1.104","","","","has coordinates,has disorder","226074","2020-10-21","18:00:00",""
"4516040","14.284","0.002","15.268","0.003","17.484","0.003","90","","90","","90","","3813.1","1.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N8 O14 -","- C34 H36 Cl2 Fe N8 O14 -","- C136 H144 Cl8 Fe4 N32 O56 -","4","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0659","0.0495","","","0.1163","0.1241","","","","","","1.044","","","","has coordinates","226074","2020-10-21","18:00:00",""
"4516041","10.4074","0.0003","8.6512","0.0003","18.1328","0.0006","90","","101.926","0.003","90","","1597.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 F6 O6 Pt S2 -","- C8 H12 F6 O6 Pt S2 -","- C32 H48 F24 O24 Pt4 S8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0211","0.0194","","","0.042","0.0427","","","","","","1.137","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516042","17.013","0.0007","8.5689","0.0003","16.9747","0.0008","90","","105.959","0.005","90","","2379.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F3 N3 O5 -","- C24 H24 F3 N3 O5 -","- C96 H96 F12 N12 O20 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0569","0.0519","","","0.1231","0.1264","","","","","","1.065","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516043","12.0242","0.0007","13.0156","0.0007","14.2406","0.001","91.582","0.005","102.85","0.005","102.152","0.005","2117.7","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H49 Cl N6 O2 Pt -","- C47 H48 Cl N6 O2 Pt -","- C94 H96 Cl2 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0414","0.0342","","","0.0792","0.0826","","","","","","1.059","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516044","12.8497","0.0003","13.011","0.0004","14.5696","0.0004","113.345","0.003","91.507","0.002","100.935","0.002","2181.88","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H45 F3 N6 O2 Pt -","- C46 H42 F3 N6 O2 Pt -","- C92 H84 F6 N12 O4 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0417","0.0323","","","0.0771","0.081","","","","","","1.05","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516045","20.2522","0.0007","8.1634","0.0003","15.925","0.0005","90","","94.862","0.003","90","","2623.36","0.16","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 F3 N3 O3 Pt S -","- C26 H28 F3 N3 O3 Pt S -","- C104 H112 F12 N12 O12 Pt4 S4 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0547","0.0491","","","0.0988","0.1011","","","","","","1.182","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516046","20.8435","0.0006","7.8008","0.0002","34.8632","0.0011","90","","90","","90","","5668.6","0.3","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H28 F3 N3 O6 Pt S -","- C26 H28 F3 N3 O6 Pt S -","- C208 H224 F24 N24 O48 Pt8 S8 -","8","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0658","0.0564","","","0.0933","0.0959","","","","","","1.31","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516047","11.2411","0.001","13.8079","0.0013","14.6138","0.0014","90.265","0.005","106.81","0.004","109.349","0.004","2036","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H46 Cl2 N6 Pt -","- C44 H46 Cl2 N6 Pt -","- C88 H92 Cl4 N12 Pt2 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0863","0.0569","","","0.1382","0.1574","","","","","","1.038","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516048","9.7792","0.0003","18.2967","0.0005","11.3037","0.0003","90","","98.915","0.003","90","","1998.1","0.1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 Cl2 N6 Pt2 -","- C44 H36 Cl2 N6 Pt2 -","- C88 H72 Cl4 N12 Pt4 -","2","0.5","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0431","0.0377","","","0.0853","0.0878","","","","","","1.189","","","","has coordinates","226075","2020-10-21","18:00:00",""
"4516049","11.4693","0.0003","15.1911","0.0003","16.1768","0.0003","99.025","0.001","105.146","0.002","106.101","0.002","2532.71","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 Cl2 N6 Pt2 -","- C57 H52 Cl2 N6 Pt2 -","- C114 H104 Cl4 N12 Pt4 -","2","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.052","0.034","","","0.0777","0.0861","","","","","","1.071","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516050","12.3755","0.0004","18.4144","0.0005","22.6884","0.0007","90","","94.834","0.003","90","","5152","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H46 Cl2 F6 N6 O4 Pt2 -","- C49 H40 Cl2 F6 N6 O4 Pt2 -","- C196 H160 Cl8 F24 N24 O16 Pt8 -","4","1","","Mishra, Vishwesh; Thirupathi, Natesan","Critical Role of Anions in Platinum(II) Precursors upon the Structural Motifs of Six-Membered Cycloplatinated <i>N</i>,<i>N</i>',<i>N</i>″-Triarylguanidines.","ACS omega","2018","3","6","6075","6090","10.1021/acsomega.8b00782","","","0.71073","MoKα","","0.0695","0.0463","","","0.0793","0.0876","","","","","","1.041","","","","has coordinates,has disorder","226075","2020-10-21","18:00:00",""
"4516051","20.463","0.002","8.8637","0.0009","14.0198","0.0014","90","","111.426","0.003","90","","2367.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N11 O4 -","- C25 H17 N11 O4 -","- C100 H68 N44 O16 -","4","0.5","","De, Avik; Mondal, Raju","Toxic Metal Sequestration Exploiting a Unprecedented Low-Molecular-Weight Hydrogel-to-Metallogel Transformation.","ACS omega","2018","3","6","6022","6030","10.1021/acsomega.8b00758","","","0.71073","MoKα","","0.1414","0.0591","","","0.1253","0.1614","","","","","","0.945","","","","has coordinates","226076","2020-10-21","18:00:00",""
"4516052","7.1699","0.0004","20.7822","0.001","12.9758","0.0007","90","","102.72","0.005","90","","1886.02","0.18","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Ag Cl N4 O4 -","- C19 H14 Ag Cl N4 O4 -","- C76 H56 Ag4 Cl4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0644","0.0356","","","0.0722","0.0862","","","","","","1.046","","","","has coordinates","226077","2020-10-21","18:00:00",""
"4516053","12.3045","0.0005","14.5456","0.0007","21.5645","0.0008","90","","97.044","0.004","90","","3830.4","0.3","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H17 Ag N4 O4 -","- C20 H17 Ag N4 O4 -","- C160 H136 Ag8 N32 O32 -","8","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0515","0.0337","","","0.0592","0.0648","","","","","","1.023","","","","has coordinates","226078","2020-10-21","18:00:00",""
"4516054","9.0545","0.0002","9.0558","0.0002","21.896","0.0005","90","","91.239","0.002","90","","1794.96","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Ag N4 O4 -","- C19 H15 Ag N4 O4 -","- C76 H60 Ag4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Pinheiro, Carlos B.; Santos, Verlane G.; Lopes, Miriam T. P.; Teixeira, Letícia R; Rocha, Willian R.; Rodrigues, Gabriel L. S.; Beraldo, Heloisa","[Ag(L)NO<sub>3</sub>] Complexes with 2-Benzoylpyridine-Derived Hydrazones: Cytotoxic Activity and Interaction with Biomolecules.","ACS omega","2018","3","6","7027","7035","10.1021/acsomega.8b00533","","x-ray","0.71073","MoKα","","0.0458","0.0289","","","0.0501","0.0571","","","","","","1.096","","","","has coordinates","226079","2020-10-21","18:00:00",""
"4516055","10.275","0.002","9.5886","0.0018","14.718","0.003","90","","97.405","0.003","90","","1438","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0746","0.045","","","0.1147","0.129","","","","","","1.035","","","","has coordinates","226080","2020-10-21","18:00:00",""
"4516056","11.496","","12.24","","13.457","","79.41","","67.16","","71.68","","1652.5","","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 F N2 O6 -","- C29 H33 F N2 O6 -","- C58 H66 F2 N4 O12 -","2","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0729","0.0472","","","0.1184","0.1286","","","","","","1.053","","","","has coordinates","226081","2020-10-21","18:00:00",""
"4516057","8.7813","0.0011","8.4703","0.0011","24.136","0.003","90","","93.158","0.002","90","","1792.5","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F3 N O5 -","- C16 H22 F3 N O5 -","- C64 H88 F12 N4 O20 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.1088","0.0587","","","0.1487","0.1776","","","","","","1.035","","","","has coordinates","226082","2020-10-21","18:00:00",""
"4516058","11.1233","0.0011","16.7726","0.0016","12.5093","0.0013","90","","114.965","0.002","90","","2115.8","0.4","297.15","","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N O4 -","- C25 H26 F N O4 -","- C100 H104 F4 N4 O16 -","4","1","","Hu, Xing-Mei; Zhou, Bei; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Site-Selective Reaction of Enaminones and Enamine Esters for the Synthesis of Novel Diverse Morphan Derivatives.","ACS omega","2018","3","6","5994","6005","10.1021/acsomega.8b00726","","","0.71073","MoKα","","0.0964","0.0486","","","0.1009","0.1223","","","","","","1.002","","","","has coordinates","226083","2020-10-21","18:00:00",""
"4516059","10.612","0.005","17.232","0.008","21.162","0.01","88.192","0.007","87.296","0.007","79.182","0.007","3796","3","100","2","100","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-(Val-Val-Aib)4-OMe.3MeOH","","- C63.5 H118 N12 O16.5 -","- C63.5 H118 N12 O16.5 -","- C127 H236 N24 O33 -","2","2","","Tsuji, Genichiro; Misawa, Takashi; Doi, Mitsunobu; Demizu, Yosuke","Extent of Helical Induction Caused by Introducing α-Aminoisobutyric Acid into an Oligovaline Sequence.","ACS omega","2018","3","6","6395","6399","10.1021/acsomega.8b01030","","","0.71073","MoKα","","0.145","0.0922","","","0.2264","0.2515","","","","","","1.007","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4516060","13.572","0.004","9.116","0.002","21.854","0.006","90","","103.824","0.003","90","","2625.5","1.2","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl2 N Nb O3 -","- C24 H36 Cl2 N Nb O3 -","- C96 H144 Cl8 N4 Nb4 O12 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","","0.0246","","","","0.0585","","","","","","1.062","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516061","9.9108","0.0003","12.5655","0.0005","13.0149","0.0005","95.967","0.003","101.025","0.003","106.341","0.003","1505.05","0.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 N Nb O3 -","- C30 H32 Cl2 N Nb O3 -","- C60 H64 Cl4 N2 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.033","0.0275","","","0.0702","0.0733","","","","","","1.013","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516062","15.469","0.003","10.6814","0.0019","24.897","0.004","90","","93.169","0.005","90","","4107.5","1.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H64 Cl2 N3 Nb O -","- C39 H64 Cl2 N3 Nb O -","- C156 H256 Cl8 N12 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0769","0.0495","","","0.1186","0.1291","","","","","","1.103","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516063","12.5502","0.0004","14.0719","0.0005","23.5634","0.0009","89.366","0.003","88.443","0.003","75.219","0.003","4022.2","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H66 N3 Nb O -","- C40 H66 N3 Nb O -","- C160 H264 N12 Nb4 O4 -","4","2","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.1584","0.1366","","","0.3099","0.3184","","","","","","1.251","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4516064","11.3778","0.0005","12.9307","0.0005","18.995","0.0006","86.879","0.003","81.525","0.003","77.672","0.003","2699.58","0.18","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H55 F15 N3 Nb O3 -","- C45 H55 F15 N3 Nb O3 -","- C90 H110 F30 N6 Nb2 O6 -","2","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0723","0.0643","","","0.1972","0.2013","","","","","","1.043","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516065","11.7181","0.0003","18.3197","0.0005","20.1982","0.0005","90","","91.823","0.002","90","","4333.79","0.19","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H64 F9 N4 Nb O -","- C39 H64 F9 N4 Nb O -","- C156 H256 F36 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71073","MoKα","","0.0387","0.034","","","0.0862","0.089","","","","","","1.07","","","","has coordinates,has disorder","226085","2020-10-21","18:00:00",""
"4516066","17.905","0.003","12.0354","0.0015","19.691","0.003","90","","115.352","0.002","90","","3834.6","1","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 F12 N3 Nb O2 -","- C32 H48 F12 N3 Nb O2 -","- C128 H192 F48 N12 Nb4 O8 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.0374","0.0313","","","0.0853","0.0946","","","","","","1","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516067","11.903","0.003","18.13","0.005","20.798","0.006","90","","104.299","0.005","90","","4349","2","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H64 F5 N4 Nb O -","- C41 H64 F5 N4 Nb O -","- C164 H256 F20 N16 Nb4 O4 -","4","1","","Srisupap, Natta; Wised, Kritdikul; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis of (Arylmido)niobium(V) Complexes Containing Ketimide, Phenoxide Ligands, and Some Reactions with Phenols and Alcohols.","ACS omega","2018","3","6","6166","6181","10.1021/acsomega.8b01065","","","0.71075","MoKα","","0.1009","0.0736","","","0.1896","0.2163","","","","","","1.058","","","","has coordinates","226085","2020-10-21","18:00:00",""
"4516068","27.6738","0.0003","10.7124","0.0002","24.3659","0.0003","90","","94.188","0.001","90","","7204.05","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Al2 Er2 N6 O18 -","- C72 H78 Al2 Er2 N6 O18 -","- C288 H312 Al8 Er8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","1.54184","CuKα","","0.0243","0.0216","","","0.0508","0.0526","","","","","","1.069","","","","has coordinates","226086","2020-10-21","18:00:00",""
"4516069","28.6269","0.0007","10.5683","0.0003","24.3695","0.0005","90","","94.926","0.002","90","","7345.5","0.3","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 Er2 Fe2 N6 O18 -","- C72 H78 Er2 Fe2 N6 O18 -","- C288 H312 Er8 Fe8 N24 O72 -","4","0.5","","Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Butterfly M<sub>2</sub><sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.","ACS omega","2018","3","6","6360","6368","10.1021/acsomega.8b00550","","x-ray","0.71073","MoKα","","0.0307","0.0249","","","0.0476","0.0497","","","","","","1.066","","","","has coordinates","226087","2020-10-21","18:00:00",""
"4516070","15.0669","0.0004","12.2725","0.0003","15.5128","0.0004","90","","90.079","0.002","90","","2868.45","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Br O Ti -","- C14 H19 Br O Ti -","- C112 H152 Br8 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0618","0.0485","","","0.1165","0.1285","","","","","","0.986","","","","has coordinates,has disorder","226088","2020-10-21","18:00:00",""
"4516071","15.01162","0.00013","11.84446","0.00011","15.51368","0.00015","90","","90","","90","","2758.4","0.04","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H19 Cl O Ti -","- C14 H19 Cl O Ti -","- C112 H152 Cl8 O8 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0241","0.0233","","","0.0593","0.0599","","","","","","1.05","","","","has coordinates","226089","2020-10-21","18:00:00",""
"4516072","12.9173","0.0002","16.12491","0.00019","12.6854","0.0002","90","","111.141","0.002","90","","2464.41","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Br2 O Ti -","- C9 H14 Br2 O Ti -","- C72 H112 Br16 O8 Ti8 -","8","2","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0322","0.0312","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","226090","2020-10-21","18:00:00",""
"4516073","12.489","0.0003","11.4556","0.0002","14.6289","0.0003","90","","90","","90","","2092.94","0.08","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C10.91 H12.73 Cl1.09 O0.91 Ti -","- C87.28 H101.84 Cl8.72 O7.28 Ti8 -","8","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0319","0.0266","","","0.0635","0.0659","","","","","","1.054","","","","has coordinates,has disorder","226091","2020-10-21","18:00:00",""
"4516074","7.9901","0.0004","17.6571","0.0009","7.9779","0.0004","90","","90.444","0.005","90","","1125.5","0.1","100","0.19","100","0.19","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 Cl O Ti -","- C12 H15 Cl O Ti -","- C48 H60 Cl4 O4 Ti4 -","4","1","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","1.54184","CuKα","","0.0482","0.0476","","","0.1298","0.1304","","","","","","1.161","","","","has coordinates","226092","2020-10-21","18:00:00",""
"4516075","13.089","0.0008","10.6775","0.0006","9.3276","0.0006","90","","90","","90","","1303.6","0.14","223","","223","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H17 Cl O Ti -","- C13 H17 Cl O Ti -","- C52 H68 Cl4 O4 Ti4 -","4","0.5","","Boyde, Nicholas C.; Steelman, Grant W.; Hanusa, Timothy P.","Multicomponent Mechanochemical Synthesis of Cyclopentadienyl Titanium <i>tert</i>-Butoxy Halides, Cp <sub> <i>x</i> </sub> TiX <sub> <i>y</i> </sub> (O <sup> <i>t</i> </sup> Bu)<sub>4-(<i>x</i>+<i>y</i>)</sub> (<i>x</i>, <i>y</i> = 1, 2; X = Cl, Br).","ACS omega","2018","3","7","8149","8159","10.1021/acsomega.8b00943","","x-ray","0.71073","MoKα","","0.0713","0.0601","","","0.1394","0.1461","","","","","","1.154","","","","has coordinates,has disorder","226093","2020-10-21","18:00:00",""
"4516076","7.9674","0.0002","8.6081","0.0003","10.2555","0.0003","87.587","0.001","76.718","0.001","67.665","0.001","632.4","0.03","299","","299.25","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C32 H20 F2 N2 O4 -","2","1","","Saraiah, Bonagiri; Gautam, Vibha; Acharya, Anand; Pasha, Mohamed Afzal; Ila, Hiriyakkanavar","One-Pot Synthesis of 2-(Het)aryl/alkyl-3-cyanobenzofurans from 2-(2-Bromoaryl)-3-(het)aryl-3-(methylthio)acrylonitriles and Benzyl Carbamate.","ACS omega","2018","3","7","8355","8364","10.1021/acsomega.8b01172","","","0.71073","MoKα","","0.1023","0.0598","","","0.1402","0.1579","","","","","","1.037","","","","has coordinates","226094","2020-10-21","18:00:00",""
"4516077","13.7647","0.0003","13.7647","0.0003","20.651","0.0009","90","","90","","90","","3912.7","0.2","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C160 H192 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0495","0.0463","","","0.1272","0.132","","","","","","1.053","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516078","8.4665","0.0006","10.312","0.0007","11.9037","0.0006","100.24","0.005","103.121","0.005","103.246","0.006","955.83","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N4 -","- C10 H12 N4 -","- C40 H48 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0865","0.0675","","","0.1599","0.1709","","","","","","1.033","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516079","13.8204","0.0017","7.1084","0.0007","24.264","0.004","90","","105.34","0.014","90","","2298.8","0.5","100","0.1","100","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H13 Cl N4 O -","- C10 H13 Cl N4 O -","- C80 H104 Cl8 N32 O8 -","8","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0578","0.0472","","","0.121","0.1304","","","","","","1.06","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516080","14.9349","0.0004","14.9349","0.0004","20.242","0.0006","90","","90","","90","","4515","0.2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C11 H14 N4 O -","- C11 H14 N4 O -","- C176 H224 N64 O16 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","1.54184","CuKα","","0.0634","0.0481","","","0.132","0.1477","","","","","","1.03","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516081","8.6523","0.0004","11.7604","0.0007","12.8395","0.0006","75.686","0.004","82.561","0.004","71.602","0.004","1199.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 N4 -","- C12 H16 N4 -","- C48 H64 N16 -","4","2","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","","0.71073","MoKα","","0.0657","0.0513","","","0.1277","0.1384","","","","","","1.022","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516082","14.81904","0.00015","14.81904","0.00015","20.4674","0.0004","90","","90","","90","","4494.72","0.11","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C192 H224 N64 -","16","1","","Yunusova, Sevilya N.; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Vovk, Mikhail A.; Tolstoy, Peter M.; Kukushkin, Vadim Yu","3-Dialkylamino-1,2,4-triazoles via Zn<sup>II</sup>-Catalyzed Acyl Hydrazide-Dialkylcyanamide Coupling.","ACS omega","2018","3","7","7224","7234","10.1021/acsomega.8b01047","","x-ray","0.71073","MoKα","","0.0437","0.0382","","","0.0926","0.0975","","","","","","1.034","","","","has coordinates","226095","2020-10-21","18:00:00",""
"4516083","9.7088","0.0013","11.3662","0.0015","14.8567","0.0019","90","","97.069","0.002","90","","1627","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Salfeena, Chettiyan Thodi F.; Jalaja, Renjitha; Davis, Rincy; Suresh, Eringathodi; Somappa, Sasidhar B.","Synthesis of 1,2,4-Trisubstituted-(1<i>H</i>)-imidazoles through Cu(OTf)<sub>2</sub>-/I<sub>2</sub>-Catalyzed C-C Bond Cleavage of Chalcones and Benzylamines.","ACS omega","2018","3","7","8074","8082","10.1021/acsomega.8b01017","","","0.71073","MoKα","","0.0461","0.0386","","","0.0989","0.1026","","","","","","1.046","","","","has coordinates","226096","2020-10-21","18:00:00",""
"4516084","19.3428","0.0005","6.4501","0.0002","28.2467","0.0007","90","","90","","90","","3524.14","0.17","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H16 O13 -","- C17 H12 O13 -","- C136 H96 O104 -","8","2","","Tokutomi, Hisashi; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Molecular Structure of the Photo-Oxidation Product of Ellagic Acid in Solution.","ACS omega","2018","3","9","11179","11183","10.1021/acsomega.8b01716","","","1.54187","CuKα","","0.1435","0.0898","","","0.2192","0.2584","","","","","","1.033","","","","has coordinates","226097","2020-10-21","18:00:00",""
"4516085","28.322","0.002","28.322","0.002","9.9011","0.001","90","","90","","120","","6878","1","295.15","","295","2","","","","","","","","7","R 3 :H","R 3","146","(pyridine)(acetonitrile)3-Ru(II)-phenyloxazoline","","","- C26.67 H27 F6 N5.33 O P Ru -","- C26.66 H26 F6 N5.33 O P Ru -","- C239.94 H234 F54 N47.97 O9 P9 Ru9 -","9","1","","Nakagawa, Yoko; Imokawa, Yusuke; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Chanthamath, Soda; Shibatomi, Kazutaka; Iwasa, Seiji","Ligand Exchange Reaction on a Ru(II)-Pheox Complex as a Mechanistic Study of Catalytic Reactions.","ACS omega","2018","3","9","11286","11289","10.1021/acsomega.8b01510","","x-ray","0.71069","MoKα","","0.0637","0.0534","","","0.1327","0.1438","","","","","","1.079","","","","has coordinates","226098","2020-10-21","18:00:00",""
"4516086","15.9559","0.0008","20.5495","0.0009","9.8687","0.0004","90","","105.489","0.003","90","","3118.3","0.2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C152 H104 N8 O24 Zn4 -","4","2","","Dutta, Basudeb; Dey, Arka; Maity, Suvendu; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Supramolecular Assembly of a Zn(II)-Based 1D Coordination Polymer through Hydrogen Bonding and π···π Interactions: Crystal Structure and Device Applications.","ACS omega","2018","3","9","12060","12067","10.1021/acsomega.8b01924","","","0.71073","MoKα","","0.115","0.0691","","","0.1574","0.1818","","","","","","1.033","","","","has coordinates","226099","2020-10-21","18:00:00",""
"4516087","6.79795","0.00018","9.9618","0.0003","12.8161","0.0004","90","","98.897","0.007","90","","857.46","0.05","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Chennapuram, Madhu; Owolabi, Isiaka Alade; Seki, Chigusa; Okuyama, Yuko; Kwon, Eunsang; Uwai, Koji; Tokiwa, Michio; Takeshita, Mitsuhiro; Nakano, Hiroto","New Hybrid-type Squaramide-Fused Amino Alcohol Organocatalyst for Enantioselective Domino Michael Addition/Cyclization Reaction of Oxoindolines with Cyclic 1,3-Diketones.","ACS omega","2018","3","9","11718","11726","10.1021/acsomega.8b01271","","","1.54187","CuKα","","0.041","0.0409","","","0.109","0.1092","","","","","","1.036","","","","has coordinates","226100","2020-10-21","18:00:00",""
"4516088","12.6496","0.0017","9.9333","0.0013","19.755","0.003","90","","100.395","0.002","90","","2441.5","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C112 H120 N8 O16 -","8","2","","Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao","Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs.","ACS omega","2018","3","9","11233","11251","10.1021/acsomega.8b01378","","","0.71073","MoKα","","0.1162","0.0539","","","0.114","0.1408","","","","","","1.009","","","","has coordinates","226101","2020-10-21","18:00:00",""
"4516089","20.1803","0.0008","6.2496","0.0003","17.1447","0.0008","90","","100.701","0.002","90","","2124.67","0.17","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","[Ni2(Hhissal)2(adi)(H2O)2].8H2O","","","- C32 H56 N6 Ni2 O20 -","- C32 H56 N6 Ni2 O20 -","- C64 H112 N12 Ni4 O40 -","2","0.5","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Encapsulation of a Water Octamer Chain in a Chiral 2D Sheetlike Supramolecular Coordination Network Composed of Dinickel-Dicarboxylate Subunits.","ACS omega","2018","3","9","11062","11070","10.1021/acsomega.8b01355","","","0.71073","MoKα","","0.051","0.0431","","","0.1181","0.1306","","","","","","1.029","","","","has coordinates","226102","2020-10-21","18:00:00",""
"4516090","14.2494","0.0006","15.1062","0.0007","17.1323","0.0007","90","","101.223","0.003","90","","3617.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl2 O2 S2 Ti -","- C36 H48 Cl2 O2 S2 Ti -","- C144 H192 Cl8 O8 S8 Ti4 -","4","1","","Lapenta, Rosita; Buonerba, Antonio; Luciano, Ermanno; Della Monica, Francesco; De Nisi, Assunta; Monari, Magda; Grassi, Alfonso; Capacchione, Carmine; Milione, Stefano","Phenylene-Bridged OSSO-Type Titanium Complexes in the Polymerization of Ethylene and Propylene.","ACS omega","2018","3","9","11608","11616","10.1021/acsomega.8b01550","","","0.71073","MoKα","","0.1723","0.0581","","","0.083","0.1099","","","","","","1.109","","","","has coordinates","226103","2020-10-21","18:00:00",""
"4516091","19.755","0.005","13.633","0.004","24.145","0.007","90","","103.603","0.003","90","","6320","3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C64 H40 Cl2 O12 P2 Re2 S4 -","- C256 H160 Cl8 O48 P8 Re8 S16 -","4","1","","Procopio, Elsa Quartapelle; Dova, Davide; Cauteruccio, Silvia; Forni, Alessandra; Licandro, Emanuela; Panigati, Monica","Dirhenium Coordination Complex Endowed with an Intrinsically Chiral Helical-Shaped Diphosphine Oxide.","ACS omega","2018","3","9","11649","11654","10.1021/acsomega.8b01290","","","0.71073","MoKα","","0.0939","0.0564","","","0.1284","0.156","","","","","","1.155","","","","has coordinates","226104","2020-10-21","18:00:00",""
"4516092","25.524","0.005","13.835","0.003","9.914","0.002","90","","90","","90","","3500.9","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C168 H184 N24 O8 -","8","1","","Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng","Ultrasensitive Colorimetric and Ratiometric Detection of Cu<sup>2+</sup>: Acid-Base Properties, Complexation, and Binding Studies.","ACS omega","2018","3","9","10471","10480","10.1021/acsomega.8b01483","","","0.71073","MoKα","","0.0644","0.053","","","0.1353","0.144","","","","","","1.035","","","","has coordinates","226105","2020-10-21","18:00:00",""
"4516093","6.898","0.0004","8.2874","0.0005","9.6802","0.0006","79.149","0.003","69.618","0.003","83.152","0.003","508.6","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0418","0.0364","","","0.1023","0.1062","","","","","","1.07","","","","has coordinates","226106","2020-10-21","18:00:00",""
"4516094","12.6435","0.0009","12.8892","0.0009","13.5633","0.0009","65.757","0.003","76.834","0.003","81.409","0.004","1958.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H51 Mo2 N6 O10 -","- C35 H51 Mo2 N6 O10 -","- C70 H102 Mo4 N12 O20 -","2","1","","Ghosh, Milan; Ta, Sabyasachi; Banerjee, Mahuya; Das, Debasis","Metal-Ion Displacement Approach for Optical Recognition of Thorium: Application of a Molybdenum(VI) Complex for Nanomolar Determination and Enrichment of Th(IV).","ACS omega","2018","3","11","16089","16098","10.1021/acsomega.8b01901","","","0.71073","MoKα","","0.0646","0.0456","","","0.1398","0.1619","","","","","","1.094","","","","has coordinates","226107","2020-10-21","18:00:00",""
"4516095","14.6664","0.0012","10.081","0.0006","40.221","0.002","90","","97.759","0.007","90","","5892.3","0.7","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C34 H29 I N O4 -","- C35 H30 I N O3 -","- C280 H240 I8 N8 O24 -","8","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.0664","0.049","","","0.1282","0.1439","","","","","","1.026","","","","has coordinates","226108","2020-10-21","18:00:00",""
"4516096","15.8788","0.0008","9.357","0.0004","21.2905","0.0009","90","","92.12","0.004","90","","3161.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 I N2 O -","- C36 H27 I N2 O -","- C144 H108 I4 N8 O4 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","1.54184","CuKα","","0.1362","0.0746","","","0.1787","0.2304","","","","","","0.995","","","","has coordinates","226109","2020-10-21","18:00:00",""
"4516097","11.5071","0.0018","38.741","0.005","9.4077","0.0014","90","","113.662","0.006","90","","3841.3","1","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H37 I N2 O2 -","- C48 H37 I N2 O2 -","- C192 H148 I4 N8 O8 -","4","1","","Yaragorla, Srinivasarao; Bag, Debojyoti; Dada, Ravikrishna; Jose, K. V. Jovan","Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration.","ACS omega","2018","3","11","15024","15034","10.1021/acsomega.8b02393","","","0.71073","MoKα","","0.0556","0.0409","","","0.0914","0.0976","","","","","","0.992","","","","has coordinates","226110","2020-10-21","18:00:00",""
"4516098","10.653","0.0005","19.224","0.0008","17.802","0.0008","90","","93.951","0.002","90","","3637.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C67 H82 B2 Cl4 F8 N4 O4 Ru2 -","- C134 H164 B4 Cl8 F16 N8 O8 Ru4 -","2","0.5","","César, Vincent; Mallardo, Valentina; Nano, Adela; DePeter, Sadie F.; Bastin, Stéphanie; Sournia-Saquet, Alix; Maisse-François, Aline; Lugan, Noël; Bellemin-Laponnaz, Stéphane","Homo- and Heteropolymetallic Complexes of the Hybrid, Ambidentate N-Heterocyclic Carbene Ligand IMes-acac.","ACS omega","2018","3","11","15582","15591","10.1021/acsomega.8b02268","","x-ray","0.71073","MoKα","","0.0494","0.0454","","","0.1279","0.1322","","","","","","1.161","","","","has coordinates,has disorder","226111","2020-10-21","18:00:00",""
"4516099","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1921","0.1082","","","0.3217","0.3627","","","","","","0.999","","","","has coordinates","226112","2020-10-21","18:00:00",""
"4516100","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.0857","0.0622","","","0.1435","0.1533","","","","","","1.144","","","","has coordinates","226114","2020-10-21","18:00:00",""
"4516101","7.3196","0.0019","10.6224","0.0006","11.7739","0.0014","99.51","0.02","92.06","0.02","92.1","0.02","901.4","0.3","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C0 H0 Cs2 Hg N0 O0 S8 Sb4 -","- Cs2 Hg S8 Sb4 -","- Cs4 Hg2 S16 Sb8 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.086","0.0626","","","0.1594","0.1731","","","","","","1.046","","","","has coordinates","226115","2020-10-21","18:00:00",""
"4516102","8.029","0.005","8.869","0.005","12.091","0.007","68.492","0.009","84.217","0.009","74.128","0.01","770.5","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs2 Hg2 Sb2 Se6 -","- Cs2 Hg2 Sb2 Se6 -","- Cs4 Hg4 Sb4 Se12 -","2","1","","Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe","Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.","ACS omega","2018","3","11","15168","15173","10.1021/acsomega.8b02059","","","0.71073","MoKα","","0.1928","0.1042","","","0.214","0.2323","","","","","","1.233","","","","has coordinates","226116","2020-10-21","18:00:00",""
"4516103","11.9267","0.0015","15.095","0.002","17.872","0.002","108.373","0.002","105.652","0.002","101.258","0.002","2798.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Cl6 S8 Si4 -","- C46 H46 Cl6 S8 Si4 -","- C92 H92 Cl12 S16 Si8 -","2","1","","Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua","All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation.","ACS omega","2018","3","11","16014","16020","10.1021/acsomega.8b02492","","","0.71073","MoKα","","0.0855","0.0658","","","0.1598","0.1708","","","","","","1.079","","","","has coordinates","226117","2020-10-21","18:00:00",""
"4516104","8.804","0.0004","14.0866","0.0007","11.5559","0.0006","90","","111.296","0.001","90","","1335.28","0.11","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H18 Cu3 I6 N3 -","- C15 H18 Cu3 I6 N3 -","- C30 H36 Cu6 I12 N6 -","2","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.029","0.0225","","","0.0454","0.0478","","","","","","1.042","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516105","13.9901","0.001","10.819","0.0008","24.0532","0.0017","90","","99.243","0.001","90","","3593.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cu6 I8 N3 -","- C18 H27 Cu6 I8 N3 -","- C72 H108 Cu24 I32 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0356","","","0.0853","0.0886","","","","","","1.151","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516106","10.455","0.0003","26.2454","0.0008","23.854","0.0007","90","","97.093","0.002","90","","6495.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cu10 I14 N4 -","- C36 H56 Cu10 I14 N4 -","- C144 H224 Cu40 I56 N16 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.0372","0.0336","","","0.0892","0.0913","","","","","","1.007","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516107","33.6214","0.0015","10.7706","0.0005","25.1921","0.0012","90","","124.618","0.001","90","","7507.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H75 Cu10 I14 N5 -","- C46 H75 Cu10 I14 N5 -","- C184 H300 Cu40 I56 N20 -","4","0.5","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0436","0.0342","","","0.0876","0.0937","","","","","","1.038","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516108","14.4604","0.001","10.8225","0.0007","25.1937","0.0017","90","","106.194","0.001","90","","3786.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Cl2 Cu5 I7 N3 -","- C20 H29 Cl2 Cu5 I7 N3 -","- C80 H116 Cl8 Cu20 I28 N12 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0322","0.0284","","","0.0668","0.0684","","","","","","1.034","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516109","28.346","0.003","11.4404","0.0012","24.058","0.002","90","","106.029","0.002","90","","7498.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br2 Cu5 I7 N3 -","- C20 H29 Br2 Cu5 I7 N3 -","- C160 H232 Br16 Cu40 I56 N24 -","8","2","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0292","0.0248","","","0.0506","0.0517","","","","","","1.198","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516110","9.1888","0.0004","11.3217","0.0005","16.2778","0.0007","73.591","0.001","77.461","0.001","87.998","0.001","1585.08","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 Cu3 I7 N2 -","- C18 H26 Cu3 I7 N2 -","- C36 H52 Cu6 I14 N4 -","2","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0159","0.0148","","","0.0366","0.0371","","","","","","1.082","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516111","14.1523","0.0014","10.6793","0.0011","25.264","0.003","90","","104.984","0.002","90","","3688.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 Cu5 I7 N5 -","- C22 H29 Cu5 I7 N5 -","- C88 H116 Cu20 I28 N20 -","4","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","0.71073","MoKα","","0.0256","0.0242","","","0.0522","0.0526","","","","","","1.264","","","","has coordinates","226118","2020-10-21","18:00:00",""
"4516112","36.7069","0.0009","10.6697","0.0003","24.9824","0.0006","90","","129.192","0.001","90","","7583.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C21 H33.5 Cu5 I7 N2.5 O2 -","- C168 H268 Cu40 I56 N20 O16 -","8","1","","Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.","Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.","ACS omega","2018","3","11","15281","15292","10.1021/acsomega.8b01986","","","1.54178","CuKα","","0.04","0.0356","","","0.0878","0.0907","","","","","","1.023","","","","has coordinates,has disorder","226118","2020-10-21","18:00:00",""
"4516113","9.14864","0.00016","11.5032","0.0002","15.6073","0.0003","72.6495","0.0016","81.6726","0.0015","72.6336","0.0016","1493.48","0.05","200","0.14","200","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Br2 Cl N3 Pd -","- C34 H28 Br2 Cl N3 Pd -","- C68 H56 Br4 Cl2 N6 Pd2 -","2","1","","Mollar-Cuni, Andrés; Ventura-Espinosa, David; Martín, Santiago; Mayoral, Álvaro; Borja, Pilar; Mata, Jose A.","Stabilization of Nanoparticles Produced by Hydrogenation of Palladium-N-Heterocyclic Carbene Complexes on the Surface of Graphene and Implications in Catalysis.","ACS omega","2018","3","11","15217","15228","10.1021/acsomega.8b02193","","x-ray","0.71073","MoKα","","0.0335","0.0268","","","0.0654","0.07","","","","","","1.051","","","","has coordinates","226119","2020-10-21","18:00:00",""
"4516114","12.8106","0.0004","12.8106","0.0004","30.5131","0.001","90","","90","","90","","5007.5","0.3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C48 H40 Co F12 N8 O8 P2 -","- C48 H40 Co F12 N8 O8 P2 -","- C192 H160 Co4 F48 N32 O32 P8 -","4","0.25","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.037","0.0295","","","0.0647","0.0688","","","","","","1.053","","","","has coordinates","226120","2020-10-21","18:00:00",""
"4516115","28.0797","0.0009","13.4393","0.0004","25.3112","0.0008","90","","103.746","0.002","90","","9278.2","0.5","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C35 H30 Cl2 Co F12 N6 O4 P2 -","- C280 H240 Cl16 Co8 F96 N48 O32 P16 -","8","1","","Emhoff, Kylin A.; Balaraman, Lakshmi; Simpson, Sydney R.; Stromyer, Michael L.; Kalil, Haitham F.; Beemiller, James R.; Sikatzki, Philipp; Eshelman, Teya S.; Salem, Ahmed M. H.; DeBord, Michael A.; Panzner, Matthew J.; Youngs, Wiley J.; Boyd, W. Christopher","Synthesis and Characterization of Cobalt(II) <i>N</i>,<i>N</i>'-Diphenylazodioxide Complexes.","ACS omega","2018","3","11","16021","16027","10.1021/acsomega.8b01200","","","0.71073","MoKα","","0.1171","0.0775","","","0.2463","0.2832","","","","","","1.006","","","","has coordinates","226121","2020-10-21","18:00:00",""
"4516116","7.5725","0.0006","11.9171","0.0008","24.932","0.002","90","","90","","90","","2249.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Mn N4 O10 -","- C22 H14 Mn N4 O10 -","- C88 H56 Mn4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.0604","0.0593","","","0.217","0.22","","","","","","1.056","","","","has coordinates","226122","2020-10-21","18:00:00",""
"4516117","7.4271","0.0015","11.953","0.003","24.759","0.004","90","","90","","90","","2198","0.8","106","2","106","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 Co N4 O10 -","- C22 H14 Co N4 O10 -","- C88 H56 Co4 N16 O40 -","4","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1639","0.0663","","","0.1668","0.252","","","","","","1.061","","","","has coordinates","226123","2020-10-21","18:00:00",""
"4516118","10.0616","0.0005","10.8559","0.0006","26.2066","0.0015","90","","97.322","0.002","90","","2839.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Co2 N10 O10 -","- C55 H47 Co2 N10 O10 -","- C110 H94 Co4 N20 O20 -","2","0.5","","Roy, Manasi; Adhikary, Amit; Mondal, Amit Kumar; Mondal, Raju","Multifunctional Properties of a 1D Helical Co(II) Coordination Polymer: Toward Single-Ion Magnetic Behavior and Efficient Dye Degradation.","ACS omega","2018","3","11","15315","15324","10.1021/acsomega.8b02212","","","0.71073","MoKα","","0.1245","0.0699","","","0.1859","0.2333","","","","","","1.101","","","","has coordinates","226124","2020-10-21","18:00:00",""
"4516119","8.9867","0.0015","9.0117","0.0015","14.865","0.003","99.135","0.003","106.863","0.004","90.159","0.003","1136","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H27 N O -","- C30 H27 N O -","- C60 H54 N2 O2 -","2","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.067","0.0475","","","0.1221","0.1346","","","","","","1.04","","","","has coordinates","226125","2020-10-21","18:00:00",""
"4516120","4.6994","0.0003","11.1712","0.0006","25.7495","0.0017","90","","90","","90","","1351.8","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.0436","0.0381","","","0.0921","0.0965","","","","","","1.066","","","","has coordinates","226126","2020-10-21","18:00:00",""
"4516121","14.1735","0.0005","14.6182","0.0005","17.4983","0.0005","110.609","0.001","92.046","0.002","100.845","0.002","3312.32","0.19","100","2","100","2","","","","","","","","10","P 1","P 1","1","A-rxn1 - 2016AN001ANP01","","","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C55 H54 B Br Cl9 F4 N5 O9 P2 Pd -","- C110 H108 B2 Br2 Cl18 F8 N10 O18 P4 Pd2 -","2","2","","Leitão, Maria Inês P S; Herrera, Federico; Petronilho, Ana","N-Heterocyclic Carbenes Derived from Guanosine: Synthesis and Evidences of Their Antiproliferative Activity.","ACS omega","2018","3","11","15653","15656","10.1021/acsomega.8b02387","","","0.71073","MoKα","","0.0759","0.0485","","","0.1092","0.1211","","","","","","1.029","","","","has coordinates,has disorder","226127","2020-10-21","18:00:00",""
"4516122","16.9414","0.0006","17.1524","0.0006","17.6605","0.0005","90","","109.597","0.002","90","","4834.6","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Mohamady, Samy; Kralt, Braden; Samwel, Shery K.; Taylor, Scott D.","Efficient One-Pot, Two-Component Modular Synthesis of 3,5-Disubstituted Pyrazoles.","ACS omega","2018","3","11","15566","15574","10.1021/acsomega.8b02304","","","0.71073","MoKα","","0.1472","0.0524","","","0.0773","0.091","","","","","","1.011","","","","has coordinates","226128","2020-10-21","18:00:00",""
"4516123","15.6529","0.0009","9.5364","0.0006","23.3615","0.0014","90","","90","","90","","3487.2","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1055","0.0798","","","0.2569","0.2848","","","","","","1.092","","","","has coordinates","226129","2020-10-21","18:00:00",""
"4516124","16.3607","0.0005","8.454","0.0003","22.5078","0.0007","90","","90","","90","","3113.13","0.18","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C168 H128 N16 O16 -","8","1","","Cai, Panyuan; Zhang, Enshen; Wu, Yinsong; Fang, Taibei; Li, Qianqian; Yang, Chen; Wang, Jian; Shang, Yongjia","Ru(II)/Ir(III)-Catalyzed C-H Bond Activation/Annulation of Cyclic Amides with 1,3-Diketone-2-diazo Compounds: Facile Access to 8<i>H</i>-Isoquinolino[1,2-<i>b</i>]quinazolin-8-ones and Phthalazino[2,3-<i>a</i>]cinnoline-8,13-diones.","ACS omega","2018","3","11","14575","14584","10.1021/acsomega.8b01930","","","0.71073","MoKα","","0.1413","0.0628","","","0.1456","0.192","","","","","","1.021","","","","has coordinates","226130","2020-10-21","18:00:00",""
"4516125","13.9836","0.0003","20.8953","0.0004","11.0131","0.0002","90","","103.717","0.002","90","","3126.16","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C156 H84 Fe4 N32 O8 Sn4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0282","0.0232","","","0.0602","0.0632","","","","","","1.051","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516126","11.7126","0.0003","11.7544","0.0003","12.9014","0.0003","108.604","0.002","101.649","0.002","105.849","0.002","1535.85","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H21 Fe N8 O2 Sn -","- C39 H21 Fe N8 O2 Sn -","- C78 H42 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0227","0.0209","","","0.0534","0.0545","","","","","","1.082","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516127","10.3737","0.0003","11.6856","0.0003","16.95","0.0004","90.491","0.002","91.962","0.002","98.758","0.002","2029.38","0.09","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H33 Cl Fe N8 O2 Sn -","- C47 H33 Cl Fe N8 O2 Sn -","- C94 H66 Cl2 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0631","0.0661","","","","","","1.034","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516128","11.6681","0.0006","16.5135","0.0008","16.9193","0.001","66.775","0.005","86.024","0.005","79.263","0.004","2943.4","0.3","100","","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H47 Cl4 Fe N8 O2 Sn -","- C72 H47 Cl4 Fe N8 O2 Sn -","- C144 H94 Cl8 Fe2 N16 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.1555","0.0915","","","0.1994","0.2393","","","","","","1.027","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516129","11.2634","0.0004","11.312","0.0004","14.9929","0.0005","90.824","0.003","91.078","0.003","97.186","0.003","1894.66","0.11","111","2","111","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H33 Fe N4 O2 Sn -","- C51 H33 Fe N4 O2 Sn -","- C102 H66 Fe2 N8 O4 Sn2 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0326","0.0312","","","0.0779","0.0791","","","","","","1.062","","","","has coordinates,has disorder","226131","2020-10-21","18:00:00",""
"4516130","13.977","0.0002","21.1365","0.0002","11.0927","0.0001","90","","105.033","0.001","90","","3164.91","0.06","150","2","150","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H21 Fe In N8 O2 -","- C39 H21 Fe In N8 O2 -","- C156 H84 Fe4 In4 N32 O8 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Batov, Mikhail S.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","{CpFe<sup>II</sup>(CO)<sub>2</sub>Sn<sup>II</sup>(Macrocycle<sup>•3-</sup>)} Radicals with Intrinsic Charge Transfer from CpFe(CO)<sub>2</sub> to Macrocycles (Cp: Cp or Cp*); Effective Magnetic Coupling between Radical Trianionic Macrocycles<sup>•3</sup>.","ACS omega","2018","3","11","14875","14888","10.1021/acsomega.8b02221","","x-ray","0.71073","MoKα","","0.0328","0.0253","","","0.0628","0.0664","","","","","","1.042","","","","has coordinates","226131","2020-10-21","18:00:00",""
"4516131","24.6695","0.0014","18.6531","0.001","20.3858","0.0011","90","","90","","90","","9380.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","(mu2-alpha,alpha'-bis((5,7-Dimethyl-1,4,8,11-tetra-azacyclotetradecan-6-yl) -o-xylene))-(mu2-azide)-bis(perchlorate)-di-copper(ii) perchlorate hydrate","","","- C32 H63 Cl3 Cu2 N11 O12.5 -","- C32 H62 Cl3 Cu2 N11 O12.5 -","- C256 H496 Cl24 Cu16 N88 O100 -","8","1","","Invernici, Michele; Ciarrocchi, Carlo; Dondi, Daniele; Fabbrizzi, Luigi; Lazzaroni, Simone; Licchelli, Maurizio; Boiocchi, Massimo; Bonizzoni, Marco","Bimacrocyclic Effect in Anion Recognition by a Copper(II) Bicyclam Complex.","ACS omega","2018","3","11","15692","15701","10.1021/acsomega.8b01710","","","0.7107","MoKα","","0.0966","0.0777","","","0.2285","0.2609","","","","","","1.034","","","","has coordinates,has disorder","226132","2020-10-21","18:00:00",""
"4516132","12.7702","0.0017","28.911","0.003","5.2268","0.0006","90","","90","","90","","1929.7","0.4","293","2","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 N6 -","- C23 H18 N6 -","- C92 H72 N24 -","4","1","","Banerji, Biswadip; Chandrasekhar, Kadaiahgari; Sreenath, Kancham; Roy, Saheli; Nag, Sayoni; Saha, Krishna Das","Synthesis of Triazole-Substituted Quinazoline Hybrids for Anticancer Activity and a Lead Compound as the EGFR Blocker and ROS Inducer Agent.","ACS omega","2018","3","11","16134","16142","10.1021/acsomega.8b01960","","","0.71073","MoKα","","0.1005","0.041","","","0.0853","0.1004","","","","","","0.96","","","","has coordinates","226133","2020-10-21","18:00:00",""
"4516133","15.833","0.0005","6.44809","0.00019","15.5345","0.0005","90","","90.5223","0.0015","90","","1585.89","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(9H-pyreno[4,5-d]imidazol-10-yl)benzaldehyde","","- C24 H14 N2 O -","- C24 H14 N2 O -","- C96 H56 N8 O4 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0549","0.0521","","","0.1573","0.1617","","","","","","1.107","","","","has coordinates","226134","2020-10-21","18:00:00",""
"4516134","13.7747","0.0002","8.1613","0.0001","22.0303","0.0003","90","","102.249","0.0007","90","","2420.25","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O3 S2 -","- C28 H26 N2 O3 S2 -","- C112 H104 N8 O12 S8 -","4","1","","Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming","Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.","ACS omega","2018","3","11","16387","16397","10.1021/acsomega.8b02482","","","1.54178","CuKα","","0.0446","0.0402","","","0.1154","0.1191","","","","","","1.072","","","","has coordinates","226135","2020-10-21","18:00:00",""
"4516135","13.4961","0.0007","7.3977","0.0003","17.2981","0.0009","90","","108.456","0.006","90","","1638.22","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl2 Cu2 N6 P2 -","- C34 H32 Cl2 Cu2 N6 P2 -","- C68 H64 Cl4 Cu4 N12 P4 -","2","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0272","0.0255","","","0.0678","0.0687","","","","","","1.045","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516136","13.4532","0.0006","7.4445","0.0002","17.5935","0.0008","90","","106.285","0.004","90","","1691.34","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br Cu N3 P -","- C17 H16 Br Cu N3 P -","- C68 H64 Br4 Cu4 N12 P4 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","","0.71073","MoKα","","0.0312","0.0268","","","0.0649","0.0677","","","","","","1.034","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516137","9.636","0.0002","10.2333","0.0003","12.8232","0.0003","69.01","0.002","81.979","0.002","71.386","0.002","1118.36","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","- C38 H38 Cu4 I4 N8 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0236","0.0199","","","0.0496","0.0513","","","","","","1.051","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516138","9.3162","0.0003","18.1124","0.0007","23.9326","0.0009","90","","90","","90","","4038.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C144 H128 Ag8 F24 N24 O24 P8 S8 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0387","0.0342","","","0.0725","0.0743","","","","","","1.061","","","","has coordinates,has disorder","226136","2020-10-21","18:00:00",""
"4516139","9.3737","0.0006","10.3726","0.0006","11.0196","0.0008","108.252","0.006","102.115","0.006","110.351","0.005","890.77","0.13","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","- C34 H32 Ag2 B2 F8 N6 P2 -","1","0.5","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0999","0.0779","","","0.2136","0.2468","","","","","","0.932","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516140","19.4767","0.0007","8.5915","0.0003","20.9829","0.0006","90","","96.19","0.003","90","","3490.7","0.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Au Cl N3 P -","- C17 H16 Au Cl N3 P -","- C136 H128 Au8 Cl8 N24 P8 -","8","2","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0578","0.0609","","","","","","1.043","","","","has coordinates","226136","2020-10-21","18:00:00",""
"4516141","11.9962","0.0003","14.6765","0.0004","13.8899","0.0004","90","","93.394","0.002","90","","2441.2","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","","0.71073","MoKα","","0.0605","0.0323","","","0.0542","0.0602","","","","","","0.95","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516142","11.997","0.002","14.728","0.003","13.94","0.003","90","","93.44","0.03","90","","2458.6","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H48 Bi2 Br10 N4 -","- C32 H48 Bi2 Br10 N4 -","- C64 H96 Bi4 Br20 N8 -","2","1","","Moon, Tae Hwan; Oh, Seung-Jin; Ok, Kang Min","[((<i>R</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>] and [((<i>S</i>)-C<sub>8</sub>H<sub>12</sub>N)<sub>4</sub>][Bi<sub>2</sub>Br<sub>10</sub>]: Chiral Hybrid Bismuth Bromides Templated by Chiral Organic Cations.","ACS omega","2018","3","12","17895","17903","10.1021/acsomega.8b02877","","x-ray","0.63","synchrotron","","0.0483","0.0371","","","0.084","0.0884","","","","","","0.955","","","","has coordinates","226137","2020-10-21","18:00:00",""
"4516143","15.127","0.0017","9.2725","0.001","15.5544","0.0017","90","","109.256","0.001","90","","2059.7","0.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 F2 I O2 S -","- C22 H13 F2 I O2 S -","- C88 H52 F8 I4 O8 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0352","0.032","","","0.0771","0.0795","","","","","","1.054","","","","has coordinates","226138","2020-10-21","18:00:00",""
"4516144","17.286","0.002","8.3835","0.0011","14.2909","0.0019","90","","90","","90","","2071","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H17 I O3 S -","- C22 H17 I O3 S -","- C88 H68 I4 O12 S4 -","4","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0408","0.0383","","","0.0912","0.0937","","","","","","1.061","","","","has coordinates","226139","2020-10-21","18:00:00",""
"4516145","8.3914","0.0009","10.1833","0.0011","11.436","0.0012","66.578","0.001","82.676","0.001","85.465","0.001","888.96","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Br I O3 S -","- C17 H16 Br I O3 S -","- C34 H32 Br2 I2 O6 S2 -","2","1","","Zhang, Jitan; Liang, Zhenda; Wang, Jun; Guo, Ziyi; Liu, Changqing; Xie, Meihua","Metal-Free Synthesis of Functionalized Tetrasubstituted Alkenes by Three-Component Reaction of Alkynes, Iodine, and Sodium Sulfinates.","ACS omega","2018","3","12","18002","18015","10.1021/acsomega.8b02966","","","0.71073","MoKα","","0.0331","0.0307","","","0.0857","0.087","","","","","","1.059","","","","has coordinates","226140","2020-10-21","18:00:00",""
"4516146","8.9059","0.0004","10.388","0.0005","11.1079","0.0005","64.715","0.001","88.475","0.001","80.124","0.001","914.16","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 N O13 P Pb2 S -","- C11 H14 N O13 P Pb2 S -","- C22 H28 N2 O26 P2 Pb4 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.031","0.0269","","","0.0686","0.0717","","","","","","0.956","","","","has coordinates","226141","2020-10-21","18:00:00",""
"4516147","9.4266","0.0007","12.5779","0.0009","13.2779","0.001","100.972","0.001","90.825","0.001","104.333","0.001","1494.3","0.19","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H28 N2 O16 P2 Pb3 S -","- C17 H28 N2 O16 P2 Pb3 S -","- C34 H56 N4 O32 P4 Pb6 S2 -","2","1","","Cai, Xiao-Ou; Sun, Meng; Shao, Yu-Jing; Liu, Fang; Liu, Qun-Li; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Two Highly Stable Luminescent Lead Phosphonates Based on Mixed Ligands: Highly Selective and Sensitive Sensing for Thymine Molecule and VO<sub>3</sub><sup>-</sup> Anion.","ACS omega","2018","3","12","16443","16452","10.1021/acsomega.8b02030","","","0.71073","MoKα","","0.0464","0.0398","","","0.1094","0.1138","","","","","","1.011","","","","has coordinates","226142","2020-10-21","18:00:00",""
"4516148","10.19","0.008","6.636","0.005","18.242","0.014","90","","104.79","0.02","90","","1192.7","1.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H32 F N O2 S -","- C28 H32 F N O2 S -","- C56 H64 F2 N2 O4 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.064","0.0461","","","0.1074","0.1212","","","","","","1.039","","","","has coordinates","226143","2020-10-21","18:00:00",""
"4516149","7.212","0.004","8.116","0.004","36.696","0.017","90","","90","","90","","2147.9","1.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C104 H112 F4 N4 O4 S4 -","4","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0826","0.059","","","0.1269","0.1372","","","","","","1.051","","","","has coordinates","226144","2020-10-21","18:00:00",""
"4516150","9.5976","0.0012","37.906","0.004","55.277","0.006","90","","90","","90","","20110","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br N O S -","- C26 H28 Br N O S -","- C936 H1008 Br36 N36 O36 S36 -","36","9","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","1.54178","CuKα","","0.1524","0.1354","","","0.3398","0.353","","","","","","1.044","","","","has coordinates","226145","2020-10-21","18:00:00",""
"4516151","9.603","0.002","7.0203","0.0016","15.771","0.004","90","","93.616","0.003","90","","1061.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C52 H56 F2 N2 O2 S2 -","2","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0686","0.0466","","","0.092","0.104","","","","","","1.027","","","","has coordinates","226146","2020-10-21","18:00:00",""
"4516152","11.8883","0.0003","7.4114","0.0003","20.6224","0.0007","90","","95.281","0.003","90","","1809.31","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","x-ray","0.71073","MoKα","","0.0431","0.0354","","","0.094","0.0986","","","","","","1.061","","","","has coordinates","226147","2020-10-21","18:00:00",""
"4516153","15.959","0.005","8.47","0.002","21.482","0.006","90","","108.034","0.004","90","","2761.1","1.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 O4 S -","- C28 H33 N3 O4 S -","- C112 H132 N12 O16 S4 -","4","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.0701","0.0545","","","0.1192","0.129","","","","","","1.103","","","","has coordinates","226148","2020-10-21","18:00:00",""
"4516154","11.08","0.02","11.755","0.018","11.961","0.014","63.18","0.17","66.29","0.17","71.29","0.18","1254","4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N3 O4 S -","- C26 H31 N3 O4 S -","- C52 H62 N6 O8 S2 -","2","1","","Mane, Vaijinath; Baiju, Thekke V.; Namboothiri, Irishi N. N.","Synthesis of Functionalized Thieno[2,3-<i>b</i>]indoles via One-Pot Reaction of Indoline-2-thiones with Morita-Baylis-Hillman and Rauhut-Currier Adducts of Nitroalkenes.","ACS omega","2018","3","12","17617","17628","10.1021/acsomega.8b02147","","","0.7107","MoKα","","0.106","0.0621","","","0.1244","0.1519","","","","","","0.87","","","","has coordinates","226149","2020-10-21","18:00:00",""
"4516155","16.4194","0.0007","10.6606","0.0005","11.1508","0.0004","90","","107.03","0.003","90","","1866.26","0.14","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Cl2 N O2 -","- C21 H17 Cl2 N O2 -","- C84 H68 Cl8 N4 O8 -","4","1","","Zhang, Mingming; Prior, Allan M.; Maddox, Marcus M.; Shen, Wan-Jou; Hevener, Kirk E.; Bruhn, David F.; Lee, Robin B.; Singh, Aman P.; Reinicke, Justin; Simmons, Charles J.; Hurdle, Julian G.; Lee, Richard E.; Sun, Dianqing","Pharmacophore Modeling, Synthesis, and Antibacterial Evaluation of Chalcones and Derivatives.","ACS omega","2018","3","12","18343","18360","10.1021/acsomega.8b03174","","","0.71069","MoKα","","","0.0447","","","","0.0483","","","","","","1.141","","","","has coordinates","226150","2020-10-21","18:00:00",""
"4516156","16.077","0.0007","16.3313","0.0009","16.9952","0.0009","90","","107.066","0.002","90","","4265.7","0.4","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 I3 P Pb -","- C12 H28 I3 P Pb -","- C96 H224 I24 P8 Pb8 -","8","4","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.1017","0.0552","","","0.1097","0.1364","","","","","","1.113","","","","has coordinates,has disorder","226151","2020-10-21","18:00:00",""
"4516157","24.56","0.002","13.0686","0.0011","16.1499","0.0014","90","","110.037","0.002","90","","4869.8","0.7","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H39 I6 N P2 Pb2 -","- C40 H39 I6 N P2 Pb2 -","- C160 H156 I24 N4 P8 Pb8 -","4","0.5","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0522","0.0371","","","0.0783","0.0854","","","","","","1.154","","","","has coordinates,has disorder","226152","2020-10-21","18:00:00",""
"4516158","15.3593","0.0006","11.1506","0.0004","7.9441","0.0003","90","","100.889","0.001","90","","1336.05","0.09","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H22 I6 P2 Pb2 -","- C7.998 H24 I6 P2 Pb2 -","- C15.996 H48 I12 P4 Pb4 -","2","0.25","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0409","0.0296","","","0.0661","0.0718","","","","","","1.062","","","","has coordinates,has disorder","226153","2020-10-21","18:00:00",""
"4516159","8.1978","0.001","8.1978","0.001","6.0037","0.0008","90","","90","","90","","403.47","0.09","170","","170","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C4 H12 I P -","- C4 H12 I P -","- C8 H24 I2 P2 -","2","0.125","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0501","0.0423","","","0.0914","0.0962","","","","","","1.232","","","","has coordinates,has disorder","226154","2020-10-21","18:00:00",""
"4516160","10.0382","0.0008","10.0382","0.0008","23.738","0.002","90","","90","","120","","2071.5","0.3","170","2","170","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H12 I3 P Pb -","- C4 H12 I3 P Pb -","- C24 H72 I18 P6 Pb6 -","6","1","","Omahen, Emily H.; Binder, Justin F.; Jacobs, Brad F.; Swidan, Ala'aeddeen; Macdonald, Charles L. B.","Phosphonium-Templated Iodoplumbates.","ACS omega","2018","3","12","17077","17082","10.1021/acsomega.8b02240","","","0.71073","MoKα","","0.0489","0.0471","","","0.1125","0.1144","","","","","","1.108","","","","has coordinates","226155","2020-10-21","18:00:00",""
"4516161","16.097","0.0009","9.1111","0.0005","17.2334","0.001","90","","114.177","0.002","90","","2305.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N3 O3 -","- C27 H20 Br N3 O3 -","- C108 H80 Br4 N12 O12 -","4","1","","Maity, Pampa; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Tandrima; Chaudhuri, Keya; Mukhopadhyay, Chhanda","Pyrrolo[3,4-c]pyridine-Based Fluorescent Chemosensor for Fe3+/Fe2+ Sensitivity and Their Application in Living HepG2 Cells","ACS Omega","2018","3","12","18646","","10.1021/acsomega.8b02110","","","0.71073","MoKα","","0.028","0.0258","","","0.087","0.0906","","","","","","0.73","","","","has coordinates","226156","2020-10-21","18:00:00",""
"4516162","18.4872","0.0014","18.4872","0.0014","18.4872","0.0014","90","","90","","90","","6318.5","0.8","120","2","120","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","Bis-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]nickel(II) di-tetrafluoroborate","","- C24 H18 B2 F8 N18 Ni -","- C24 H18 B2 F8 N18 Ni0.99 -","- C192 H144 B16 F64 N144 Ni7.92 -","8","0.0833333","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0926","0.0781","","","0.2314","0.2621","","","","","","1.09","","","","has coordinates","226157","2020-10-21","18:00:00",""
"4516163","12.3764","0.0007","16.8545","0.0014","21.0272","0.0019","107.562","0.008","91.665","0.006","106.956","0.006","3966.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","[2,4-Di(pyrazol-1-yl)-6-hydroxy-1,3,5-triazinate]-tris[2,4,6-tri- (pyrazol-1-yl)-1,3,5-triazine][1H-pyrazole]dicopper(II) tri(tetrafluoroborate) nitromethane (7/6.25) solvate","","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C54.25 H55.75 B3 Cu2 F12 N42.25 O13.5 -","- C108.5 H111.5 B6 Cu4 F24 N84.5 O27 -","2","1","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0805","0.0742","","","0.2103","0.2185","","","","","","1.033","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516164","17.8353","0.0008","25.3177","0.0013","27.4906","0.0011","90","","90","","90","","12413.3","1","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) di(tetrafluoroborate)","","- C26 H20 B2 F8 Fe N16 -","- C26 H20 B2 F8 Fe N16 -","- C416 H320 B32 F128 Fe16 N256 -","16","0.5","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0851","0.0755","","","0.2077","0.2157","","","","","","1.091","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516165","15.2393","0.0002","31.6772","0.0003","15.9371","0.0002","90","","111.945","0.001","90","","7136.01","0.15","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]iron(II) diperchlorate nitromethane (1/) solvate","","- C26.9 H23.2 Cl2 Fe N16.9 O9.93 -","- C26.9 H22.7 Cl2 Fe N16.9 O9.925 -","- C215.2 H181.6 Cl16 Fe8 N135.2 O79.4 -","8","2","","Berdiell, Izar Capel; Kulak, Alexander N.; Warriner, Stuart L.; Halcrow, Malcolm A.","Heterometallic Coordination Polymer Gels Supported by 2,4,6-Tris(pyrazol-1-yl)-1,3,5-triazine.","ACS omega","2018","3","12","18466","18474","10.1021/acsomega.8b02508","","","1.54184","CuKα","","0.0728","0.0672","","","0.1822","0.1869","","","","","","1.079","","","","has coordinates,has disorder","226157","2020-10-21","18:00:00",""
"4516166","34.0363","0.0008","7.9956","0.0002","18.5251","0.0004","90","","97.374","0.001","90","","4999.7","0.2","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","N,N'-bismesitylphenanthrone-9,10-diimine","","- C32 H30 N2 -","- C32 H30 N2 -","- C256 H240 N16 -","8","1","","Dong, Chao; Dickie, Diane A.; Maio, William A.; Manz, Thomas A.","Synthesis and Characterization of <i>N</i>,<i>N</i>'-Bismesityl Phenanthrene-9,10-diimine and Imine-Nitrone.","ACS omega","2018","3","12","16858","16865","10.1021/acsomega.8b02981","","","0.71073","MoKα","","0.0626","0.0459","","","0.1136","0.124","","","","","","1.037","","","","has coordinates","226158","2020-10-21","18:00:00",""
"4516167","7.62509","0.00011","8.44847","0.00012","15.92585","0.00016","104.231","0.001","94.45","0.001","103.15","0.0012","958.65","0.02","99.98","0.13","99.98","0.13","","","","","","","","5","P -1","-P 1","2","m-CF3-dithiatriazine dimer","4,9-bis[3-(trifluoromethyl)phenyl]-1l4,2l4,6l4,7l4-Tetrathia-3,5,8,10,11,12-hexaazatricyclo[5.3.1.12,6]dodeca-1(11),2,4,6(12),7,9-hexaene","","- C8 H4 F3 N3 S2 -","- C8 H4 F3 N3 S2 -","- C32 H16 F12 N12 S8 -","4","2","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.1067","0.1076","","","","","","1.082","","","","has coordinates,has disorder","226159","2020-10-21","18:00:00",""
"4516168","22.90772","0.00016","4.66989","0.00003","22.2724","0.0002","90","","106.678","0.0009","90","","2282.39","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","mCF3-bicyclic","7-[3-(Trifluoromethyl)phenyl]-1l4,3l4,5l4-trithia-2,4,6,8,9-pentaazabicyclo [3.3.1]nona-1(9),2,3,5,7-pentaene","","- C8 H4 F3 N5 S3 -","- C8 H4 F3 N5 S3 -","- C64 H32 F24 N40 S24 -","8","1","","Boeré, René T","Experimental and Computational Evidence for ""Double Pancake Bonds"": The Role of Dispersion-Corrected DFT Methods in Strongly Dimerized 5-Aryl-1λ<sup>2</sup>,3λ<sup>2</sup>-dithia-2,4,6-triazines.","ACS omega","2018","3","12","18170","18180","10.1021/acsomega.8b03211","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0741","0.0744","","","","","","1.075","","","","has coordinates","226159","2020-10-21","18:00:00",""
"4516169","10.4125","0.0008","7.9214","0.0006","17.1706","0.0013","90","","100.71","0.001","90","","1391.59","0.18","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 N O5 S -","- C33 H29 N O5 S -","- C66 H58 N2 O10 S2 -","2","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0456","0.0353","","","0.0832","0.0898","","","","","","1.015","","","","has coordinates","226160","2020-10-21","18:00:00",""
"4516170","11.977","0.0015","11.977","0.0015","47.127","0.012","90","","90","","120","","5854.6","1.8","296.15","","296.15","","","","","","","","","5","P 61","P 61","169","","","","- C48 H38 N2 O6 S2 -","- C48 H38 N2 O6 S2 -","- C288 H228 N12 O36 S12 -","6","1","","Chen, Ying-Han; Li, De-Hai; Liu, Yan-Kai","Diversified Synthesis of Chiral Chromane-Containing Polyheterocyclic Compounds via Asymmetric Organocatalytic Cascade Reactions.","ACS omega","2018","3","12","16615","16625","10.1021/acsomega.8b02891","","","0.71073","MoKα","","0.0731","0.0459","","","0.0835","0.0915","","","","","","1.024","","","","has coordinates","226161","2020-10-21","18:00:00",""
"4516171","6.2228","0.0006","16.253","0.001","17.111","0.001","90","","90","","90","","1730.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 N O3 -","- C23 H13 N O3 -","- C92 H52 N4 O12 -","4","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.0897","0.0398","","","0.0714","0.086","","","","","","1.09","","","","has coordinates","226162","2020-10-21","18:00:00",""
"4516172","13.4246","0.0005","5.6336","0.0002","7.7042","0.0003","90","","90.883","0.003","90","","582.59","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O -","- C16 H12 O -","- C32 H24 O2 -","2","0.5","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0681","0.0662","","","0.1626","0.1637","","","","","","1.118","","","","has coordinates,has disorder","226163","2020-10-21","18:00:00",""
"4516173","7.353","0.001","13.0226","0.0009","32.757","0.004","90","","90","","90","","3136.7","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H13 N O2 -","- C21 H13 N O2 -","- C168 H104 N8 O16 -","8","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.1783","0.047","","","0.0868","0.1106","","","","","","0.929","","","","has coordinates","226164","2020-10-21","18:00:00",""
"4516174","5.843","0.0002","3.9026","0.0002","30.318","0.002","90","","94.535","0.004","90","","689.17","0.06","293","1","293","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C38 H22 N2 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0547","0.0498","","","0.1352","0.1484","","","","","","1.119","","","","has coordinates","226165","2020-10-21","18:00:00",""
"4516175","11.0189","0.0003","5.6659","0.0002","46.0573","0.0015","90","","90","","90","","2875.45","0.16","150","2","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C160 H112 O16 -","8","2","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","","1.54184","CuKα","","0.0308","0.0288","","","0.0699","0.0722","","","","","","1.059","","","","has coordinates","226166","2020-10-21","18:00:00",""
"4516176","3.8218","0.0002","5.7496","0.0003","27.25","0.0013","90","","93.862","0.005","90","","597.43","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.0991","0.1018","","","","","","1.081","","","","has coordinates","226167","2020-10-21","18:00:00",""
"4516177","6.4009","0.0002","7.3211","0.0003","13.9114","0.0006","90","","100.161","0.004","90","","641.69","0.04","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C36 H24 O4 -","2","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","1.54184","CuKα","","0.0344","0.0326","","","0.0922","0.0934","","","","","","1.061","","","","has coordinates","226168","2020-10-21","18:00:00",""
"4516178","11.4973","0.001","14.4173","0.0013","15.8364","0.0014","90","","109.373","0.001","90","","2476.4","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N O23 P Tb2 -","- C13 H24 N O23 P Tb2 -","- C52 H96 N4 O92 P4 Tb8 -","4","1","","Jiao, Cheng-Qi; Sun, Meng; Liu, Fang; Zhou, Ya-Nan; Zhu, Yan-Yu; Sun, Zhen-Gang; Dong, Da-Peng; Li, Jing","Terbium Oxalatophosphonate as Efficient Multiresponsive Luminescent Sensors for Chromate Anions and Tryptophan Molecules.","ACS omega","2018","3","12","16735","16742","10.1021/acsomega.8b02486","","","0.71073","MoKα","","0.0447","0.0293","","","0.0545","0.0576","","","","","","1.001","","","","has coordinates,has disorder","226169","2020-10-21","18:00:00",""
"4516179","24.483","0.002","4.4738","0.0004","19.705","0.002","90","","113.73","","90","","1975.8","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","pyrodpp","","","- C23 H22 N6 -","- C23 H22 N6 -","- C92 H88 N24 -","4","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.2181","0.0852","","","0.2269","0.3066","","","","","","0.869","","","","has coordinates","226170","2020-10-21","18:00:00",""
"4516180","7.4514","0.0007","10.2478","0.0009","12.0251","0.001","74.076","0.002","89.764","0.002","85.604","0.002","880.27","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","dpp phosphate","","","- C16 H20 N5 O3 P -","- C16 H20 N5 O3 P -","- C32 H40 N10 O6 P2 -","2","1","","Naik, Indravath K.; Bodapati, Ramakrishna; Sarkar, Rudraditya; Mondal, Navendu; Das, Samar K.","Functional Molecular System of Bis(pyrazolyl)pyridine Derivatives: Photophysics, Spectroscopy, Computation, and Ion Sensing.","ACS omega","2018","3","3","3022","3035","10.1021/acsomega.7b02006","","","0.71073","MoKα","","0.1225","0.0852","","","0.2203","0.255","","","","","","1.034","","","","has coordinates","226171","2020-10-21","18:00:00",""
"4516181","13.5644","0.0003","14.7817","0.0004","23.8992","0.0006","103.053","0.002","95.08","0.002","108.299","0.002","4365.7","0.2","149","2","149.4","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H92 N12 O20 Re4 S4 -","- C68 H92 N12 O20 Re4 S4 -","- C136 H184 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0857","0.0597","","","0.1323","0.1424","","","","","","1.044","","","","has coordinates,has disorder","226172","2020-10-21","18:00:00",""
"4516182","20.384","0.0018","17.0684","0.0013","21.821","0.012","90","","94.39","0.02","90","","7570","4","151","2","150.7","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 N8 O16 Re4 S4 -","- C68 H56 N8 O16 Re4 S4 -","- C272 H224 N32 O64 Re16 S16 -","4","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1088","0.0652","","","0.1598","0.1808","","","","","","1.051","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516183","14.247","0.0009","14.3139","0.0007","25.3456","0.0014","79.388","0.005","82.079","0.005","84.365","0.005","5017.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 N10 O18 Re4 S4 -","- C74 H70 N10 O18 Re4 S4 -","- C148 H140 N20 O36 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.1988","0.0908","","","0.2184","0.2575","","","","","","0.879","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516184","13.8133","0.0004","13.9339","0.0005","14.4964","0.0005","71.743","0.003","78.559","0.003","80.466","0.003","2580.96","0.16","150","0.14","150","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","- C92 H92 Fe4 N12 O20 Re4 S4 -","1","0.5","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.7107","MoKα","","0.0759","0.0457","","","0.0975","0.1098","","","","","","1.144","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516185","14.9664","0.0007","17.7611","0.0008","22.4582","0.0011","92.133","0.004","101.334","0.004","106.648","0.004","5580.2","0.5","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C102 H96 N12 O20 Re4 S4 -","- C102 H96 N12 O20 Re4 S4 -","- C204 H192 N24 O40 Re8 S8 -","2","1","","Karthikeyan, Muthuraman; Ramakrishna, Buthanapalli; Vellaiyadevan, Sivalingam; Divya, Dhanaraj; Manimaran, Bala","Amide-Functionalized Chalcogen-Bridged Flexible Tetranuclear Rhenacycles: Synthesis, Characterization, Solvent Effect on the Structure, and Guest Binding.","ACS omega","2018","3","3","3257","3266","10.1021/acsomega.7b02075","","","0.71073","MoKα","","0.0969","0.0556","","","0.1194","0.1349","","","","","","0.957","","","","has coordinates","226172","2020-10-21","18:00:00",""
"4516186","13.305","0.003","21.832","0.004","12.476","0.003","90","","101.87","0.03","90","","3546.5","1.4","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H29 Ir N6 O2 -","- C40 H29 Ir N6 O2 -","- C160 H116 Ir4 N24 O8 -","4","1","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.1407","0.0795","","","0.1448","0.1635","","","","","","0.952","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516187","12.147","0.002","12.958","0.002","14.044","0.003","75.832","0.003","67.388","0.003","74.135","0.003","1938.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","- C80 H56 Cl2 Cu2 Ir2 N12 O4 -","1","0.5","","Chandrasekhar, Vadapalli; Mahanti, Bani; Pandey, Mrituanjay D.; Narayanan, R. Suriya","Cyclometalated Ir(III) Complex as a Metalloligand and a Selective Cu(II) Sensor: Synthesis and Structural Characterization of a Heterometallic Tetranuclear Ir(III)/Cu(II) Complex.","ACS omega","2018","3","3","2786","2792","10.1021/acsomega.8b00042","","","0.71073","MoKα","","0.0455","0.0392","","","0.1048","0.1087","","","","","","1.084","","","","has coordinates","226173","2020-10-21","18:00:00",""
"4516188","9.0272","0.0006","29.178","0.002","18.4176","0.0014","90","","99.641","0.002","90","","4782.6","0.6","130","2","130.01","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H124 Ir2 N10 O4 -","- C108 H123.58 Ir2 N10 O5.79 -","- C216 H247.16 Ir4 N20 O11.58 -","2","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0563","0.0532","","","0.1042","0.1056","","","","","","1.249","","","","has coordinates","226174","2020-10-21","18:00:00",""
"4516189","18.644","0.003","8.9321","0.0013","25.915","0.004","90","","96.994","0.005","90","","4283.5","1.1","99.69","","99.69","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Ir N5 O2 -","- C49 H52 Ir N5 O2 -","- C196 H208 Ir4 N20 O8 -","4","1","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0754","0.0622","","","0.1593","0.1695","","","","","","1.158","","","","has coordinates","226175","2020-10-21","18:00:00",""
"4516190","19.025","0.011","9.09","0.005","25.534","0.013","90","","96.237","0.013","90","","4390","4","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H104 Ir2 N10 O7 -","- C98 H106 Ir2 N10 O7 -","- C196 H212 Ir4 N20 O14 -","2","0.5","","Huckaba, Aron J.; Senes, Alessia; Aghazada, Sadig; Babaei, Azin; Meskers, Stefan C. J.; Zimmermann, Iwan; Schouwink, Pascal; Gasilova, Natalia; Janssen, René A J; Bolink, Henk J.; Nazeeruddin, Mohammad Khaja","Bis(arylimidazole) Iridium Picolinate Emitters and Preferential Dipole Orientation in Films.","ACS omega","2018","3","3","2673","2682","10.1021/acsomega.8b00137","","","0.71073","MoKα","","0.0824","0.0576","","","0.1096","0.1195","","","","","","1.104","","","","has coordinates","226176","2020-10-21","18:00:00",""
"4516191","10.914","0.0015","11.6724","0.0017","9.8263","0.0015","90","","106.975","0.006","90","","1197.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl N2 -","- C14 H11 Cl N2 -","- C56 H44 Cl4 N8 -","4","1","","Dey, Amrita; Singsardar, Mukta; Sarkar, Rajib; Hajra, Alakananda","Environment-Friendly Protocol for the Chlorination of Imidazoheterocycles by Chloramine-T.","ACS omega","2018","3","3","3513","3521","10.1021/acsomega.7b01844","","","0.71073","MoKα","","0.0959","0.056","","","0.1356","0.1689","","","","","","0.848","","","","has coordinates","226177","2020-10-21","18:00:00",""
"4516192","13.101","0.0017","17.775","0.002","21.174","0.003","90","","93.628","0.005","90","","4920.9","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Co5POM","Na10[WCo3(H2O)2(CoW9O34)2]","","- Co2.44 Na9 O54 W9.56 -","- Co2.443 Na9 O54 W9.557 -","- Co9.772 Na36 O216 W38.228 -","4","1","","Thakur, Neha; Das Adhikary, Subhasis; Kumar, Mukesh; Mehta, Daisy; Padhan, Anil K.; Mandal, Debaprasad; Nagaiah, Tharamani C.","Ultrasensitive and Highly Selective Electrochemical Detection of Dopamine Using Poly(ionic liquids)-Cobalt Polyoxometalate/CNT Composite.","ACS omega","2018","3","3","2966","2973","10.1021/acsomega.7b02049","","","0.71073","MoKα","","0.0505","0.0384","","","0.0743","0.078","","","","","","1.152","","","","has coordinates,has disorder","226178","2020-10-21","18:00:00",""
"4516193","9.163","0.008","8.368","0.008","24.984","0.016","90","","97.39","0.02","90","","1900","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1657","0.1004","","","0.3007","0.3471","","","","","","1.102","","","","has coordinates","226179","2020-10-21","18:00:00",""
"4516194","21.333","0.013","7.865","0.005","11.834","0.008","90","","100.552","0.014","90","","1952","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C88 H100 N12 O12 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1497","0.1103","","","0.3092","0.3416","","","","","","1.016","","","","has coordinates","226180","2020-10-21","18:00:00",""
"4516195","23.398","0.003","7.4277","0.001","12.2111","0.0014","90","","92.075","0.004","90","","2120.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An","Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO<sub>2</sub> Capture in Biochemical Systems.","ACS omega","2018","3","3","2883","2894","10.1021/acsomega.7b02028","","","0.71073","MoKα","","0.1076","0.0536","","","0.1227","0.1646","","","","","","0.983","","","","has coordinates","226181","2020-10-21","18:00:00",""
"4516196","14.1404","0.0003","5.79829","0.00012","14.2252","0.0003","90","","90","","90","","1166.33","0.04","100","","100","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C4 H14 Cl4 N2 Pb -","- C4 H26 Cl4 N2 Pb -","- C16 H104 Cl16 N8 Pb4 -","4","0.25","","Wu, Guanhong; Zhou, Chenkun; Ming, Wenmei; Han, Dan; Chen, Shiyou; Yang, Dong; Besara, Tiglet; Neu, Jennifer; Siegrist, Theo; Du, Mao-Hua; Ma, Biwu; Dong, Angang","A One-Dimensional Organic Lead Chloride Hybrid with Excitation-Dependent Broadband Emissions","ACS Energy Letters","2018","3","6","1443","","10.1021/acsenergylett.8b00661","","","0.71073","MoKα","","0.0302","0.028","","0.0575","0.0565","0.0575","","","","","","1.0827","","","","has coordinates","226182","2020-10-21","18:00:00",""
"4516197","14.62","0.009","14.62","0.009","6.392","0.004","90","","90","","90","","1366.3","1.5","296","2","296","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C5.4 H22.2 I7 N3.6 O2.4 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","0.25","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.1847","0.0588","","","0.1588","0.2114","","","","","","0.802","","","","has coordinates","226183","2020-10-21","18:00:00",""
"4516198","13.0062","0.0018","19.617","0.004","6.3852","0.0013","90","","90","","90","","1629.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C16 H64 I16 N8 O8 Sn4 -","4","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0384","0.0335","","","0.0809","0.0841","","","","","","1.068","","","","has coordinates","226184","2020-10-21","18:00:00",""
"4516199","10.1959","0.0002","9.0234","0.0002","8.9297","0.0002","90","","100.36","0.001","90","","808.15","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 I4 N2 O2 Sn -","- C4 H16 I4 N2 O2 Sn -","- C8 H32 I8 N4 O4 Sn2 -","2","0.5","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0237","0.02","","","0.0429","0.0443","","","","","","1.065","","","","has coordinates","226185","2020-10-21","18:00:00",""
"4516200","8.92","0.004","8.92","0.004","10.934","0.004","90","","90","","120","","753.4","0.6","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C1.4 H6.2 I3 N1.6 O0.4 Sn -","- C2.01 I3 N1.34 Sn -","- C6.03 I9 N4.02 Sn3 -","3","0.333333","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.0844","0.0802","","","0.2229","0.2287","","","","","","1.296","","","","has coordinates","226187","2020-10-21","18:00:00",""
"4516201","8.235","0.002","8.12","0.002","27.528","0.007","90","","90","","90","","1840.7","0.8","100","2","99.94","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0879","0.0807","","","0.2058","0.2093","","","","","","1.247","","","","has coordinates","226188","2020-10-21","18:00:00",""
"4516202","27.783","0.006","7.951","0.002","7.7627","0.0017","90","","90","","90","","1714.8","0.7","100","2","99.97","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C4 H12 Cl2 N Pb0.5 -","- C4 H12 Cl2 N Pb0.5 -","- C32 H96 Cl16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.0397","0.0392","","","0.0988","0.0993","","","","","","1.076","","","","has coordinates","226189","2020-10-21","18:00:00",""
"4516203","8.477","0.004","9.052","0.004","26.186","0.011","90","","90","","90","","2009.4","1.5","109","2","109.05","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.1003","0.0789","","","0.1962","0.2066","","","","","","1.121","","","","has coordinates","226190","2020-10-21","18:00:00",""
"4516204","8.2451","0.0007","8.1375","0.0007","27.463","0.003","90","","90","","90","","1842.6","0.3","116","2","116.02","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br2 N Pb0.5 -","- C4 H12 Br2 N Pb0.5 -","- C32 H96 Br16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.054","0.0446","","","0.1232","0.1286","","","","","","1.233","","","","has coordinates","226191","2020-10-21","18:00:00",""
"4516205","8.396","0.003","8.966","0.003","26.188","0.008","90","","90","","90","","1971.4","1.1","100","2","100.09","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 I2 N Pb0.5 -","- C4 H12 I2 N Pb0.5 -","- C32 H96 I16 N8 Pb4 -","8","1","","Dutta, Sumit Kumar; Dutta, Anirban; Das Adhikari, Samrat; Pradhan, Narayan","Doping Mn2+ in Single-Crystalline Layered Perovskite Microcrystals","ACS Energy Letters","2018","4","1","343","","10.1021/acsenergylett.8b02349","","","0.71073","MoKα","","0.125","0.1123","","","0.2858","0.2913","","","","","","1.397","","","","has coordinates","226192","2020-10-21","18:00:00",""
"4516206","8.3804","0.0007","13.5963","0.0011","23.1525","0.0019","90","","93.843","0.001","90","","2632.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 I6 N2 Te -","- C14 I6 N2 Te -","- C56 I24 N8 Te4 -","4","1","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0432","0.03","","","0.067","0.0709","","","","","","1.06","","","","has coordinates","226193","2020-10-21","18:00:00",""
"4516207","11.445","0.008","11.445","0.008","11.445","0.008","90","","90","","90","","1499.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C4 H24 Br12 N4 Te2 -","- Br12 N12 Te2 -","- Br24 N24 Te4 -","2","0.0104167","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0451","0.0367","","","0.1292","0.1464","","","","","","1.095","","","","has coordinates","226194","2020-10-21","18:00:00",""
"4516208","10.744","0.009","10.744","0.009","10.744","0.009","90","","90","","90","","1240.2","1.8","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 Br6 N2 Te -","- C2 Br6 Te -","- C8 Br24 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0215","0.0205","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516209","12","0.004","12","0.004","12","0.004","90","","90","","90","","1728","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H6 I6 N Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0252","0.0249","","","0.1148","0.1157","","","","","","1.119","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4516210","12.307","0.004","12.307","0.004","12.307","0.004","90","","90","","90","","1864","1","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C H10 I6 N2 Te -","- I6 N2 Te -","- I24 N8 Te4 -","4","0.0208333","","Ju, Dianxing; Zheng, Xiaopeng; Yin, Jun; Qiu, Zhiwen; Türedi, Bekir; Liu, Xiaolong; Dang, Yangyang; Cao, Bingqiang; Mohammed, Omar F.; Bakr, Osman M.; Tao, Xutang","Tellurium-Based Double Perovskites A2TeX6 with Tunable Band Gap and Long Carrier Diffusion Length for Optoelectronic Applications","ACS Energy Letters","2018","4","1","228","","10.1021/acsenergylett.8b02113","","","0.71073","MoKα","","0.0608","0.048","","","0.153","0.1766","","","","","","1.14","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4516654","24.5267","0.0016","18.2686","0.0012","29.5609","0.0019","90","","90","","90","","13245.3","1.5","100","2","99.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N7 O15 Zn2 -","- C63 H68 N7 O15 Zn2 -","- C504 H544 N56 O120 Zn16 -","8","1","","Gupta, Mayank; Kottilil, Dileep; Tomar, Kapil; Lu, Shunbin; Vijayan, C.; Ji, Wei; Bharadwaj, Parimal K.","Two-Photon Absorption and Fluorescence in Micrometer-Sized Single Crystals of a Rhodamine B Coordinated Metal‒Organic Framework","ACS Applied Nano Materials","2018","1","10","5408","","10.1021/acsanm.8b01469","","","0.71073","MoKα","","0.1111","0.1025","","","0.2238","0.2306","","","","","","1.116","","","","has coordinates","239431","2020-10-21","18:00:00",""
"4516790","24.26","0.004","24.26","0.004","24.26","0.004","90","","90","","90","","14278","4","100","","100","","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C48 H72 N8 O44 Ti8 Zr2 -","- C48 H72 N8 O44 Ti8 Zr2 -","- C288 H432 N48 O264 Ti48 Zr12 -","6","0.0625","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0219","0.0187","","","0.0519","0.0535","","","","","","1.141","","","","has coordinates,has disorder","239542","2020-10-21","18:00:00",""
"4516791","12.064","0.003","13.543","0.003","13.806","0.003","104.331","0.003","109.519","0.003","110.62","0.003","1811.3","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","- C48 H80 O44 Ti8 Zr2 -","1","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0667","0.0425","","","0.0888","0.0998","","","","","","1.033","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4516792","14.896","0.004","24.07","0.006","15.304","0.004","90","","91.287","0.004","90","","5486","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H80 O44 Ti8 Zr2 -","- C112 H80 O44 Ti8 Zr2 -","- C224 H160 O88 Ti16 Zr4 -","2","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.0773","0.0475","","","0.0987","0.1108","","","","","","1.025","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4516793","32.89","0.007","32.89","0.007","73.485","0.015","90","","90","","120","","68843","3","100","2","100","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C134 H126 N2 O46 Ti8 Zr2 -","- C134 H126 N2 O46 Ti8 Zr2 -","- C2412 H2268 N36 O828 Ti144 Zr36 -","18","0.5","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.129","0.0587","","","0.1409","0.1827","","","","","","1.006","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4516794","15.818","0.012","35.48","0.03","18.356","0.014","90","","108.901","0.012","90","","9746","13","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C176 H208 O44 Ti8 Zr2 -","- C176 H208 O44 Ti8 Zr2 -","- C352 H416 O88 Ti16 Zr4 -","2","1","","Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai","[Ti<sub>8</sub>Zr<sub>2</sub>O<sub>12</sub>(COO)<sub>16</sub>] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.","ACS central science","2018","4","1","105","111","10.1021/acscentsci.7b00497","","","0.71073","MoKα","","0.3539","0.1501","","","0.335","0.4523","","","","","","0.968","","","","has coordinates","239542","2020-10-21","18:00:00",""
"4516798","23.6556","0.001","6.5523","0.0002","18.1925","0.0007","90","","123.699","0.003","90","","2345.98","0.17","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H35 N O6 Si -","- C22 H35 N O6 Si -","- C88 H140 N4 O24 Si4 -","4","1","","Tomoshige, Shusuke; Dik, David A.; Akabane-Nakata, Masaaki; Madukoma, Chinedu S.; Fisher, Jed F.; Shrout, Joshua D.; Mobashery, Shahriar","Total Syntheses of Bulgecins A, B, and C and Their Bactericidal Potentiation of the β-Lactam Antibiotics.","ACS infectious diseases","2018","4","6","860","867","10.1021/acsinfecdis.8b00105","","","1.54184","CuKα","","0.0453","0.0449","","","0.1311","0.1319","","","","","","1.033","","","","has coordinates,has disorder","239546","2020-10-21","18:00:00",""
"4516809","10.985","0.003","22.319","0.006","12.259","0.004","90","","107.833","0.005","90","","2861.2","1.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 F6 N Ni O P -","- C31 H30 F6 N Ni O P -","- C124 H120 F24 N4 Ni4 O4 P4 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0417","0.036","","","0.081","0.0841","","","","","","1.064","","","","has coordinates","239558","2020-10-21","18:00:00",""
"4516810","21.51","0.009","9.12","0.004","13.069","0.005","90","","90","","90","","2563.8","1.8","93","","93","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H42 Ni O P2 -","- C26 H42 Ni O P2 -","- C104 H168 Ni4 O4 P8 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.039","0.0362","","","0.0744","0.0763","","","","","","1.058","","","","has coordinates","239559","2020-10-21","18:00:00",""
"4516811","10.862","0.003","17.927","0.004","12.12","0.003","90","","111.13","0.003","90","","2201.4","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H61 F Ni O P2 -","- C50 H61 F Ni O P2 -","- C100 H122 F2 Ni2 O2 P4 -","2","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0318","0.0306","","","0.0756","0.0767","","","","","","1.04","","","","has coordinates","239560","2020-10-21","18:00:00",""
"4516812","11.262","0.005","16.576","0.007","15.057","0.006","90","","97.245","0.007","90","","2788","2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 F N Ni O P -","- C29 H39 F N Ni O P -","- C116 H156 F4 N4 Ni4 O4 P4 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0962","0.0769","","","0.1367","0.1444","","","","","","1.17","","","","has coordinates","239561","2020-10-21","18:00:00",""
"4516818","17.99","0.006","18.597","0.006","18.679","0.006","90","","89.996","0.002","90","","6249","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H44 N4 Ni S0 Y -","- C91 H44 N4 Ni Y1.0001 -","- C364 H176 N16 Ni4 Y4.0004 -","4","1","","Pan, Changwang; Bao, Lipiao; Yu, Xianyong; Fang, Hongyun; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Facile Access to Y<sub>2</sub>C<sub>2n</sub> (2n = 92-130) and Crystallographic Characterization of Y<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(1660)-C<sub>108</sub>: A Giant Nanocapsule with a Linear Carbide Cluster.","ACS nano","2018","12","2","2065","2069","10.1021/acsnano.8b00384","","","0.6525","synchrotron","","0.0918","0.0803","","","0.2152","0.2246","","","","","","1.157","","","","has coordinates,has disorder","239566","2020-10-21","18:00:00",""
"4516819","10.856","0.002","11.859","0.002","17.712","0.004","92.06","0.03","93.78","0.03","114.52","0.03","2065.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H42 N4 O12 -","- C51 H42 N4 O12 -","- C102 H84 N8 O24 -","2","1","","Burian, Max; Rigodanza, Francesco; Demitri, Nicola; D Ord Ević, Luka; Marchesan, Silvia; Steinhartova, Tereza; Letofsky-Papst, Ilse; Khalakhan, Ivan; Mourad, Eléonore; Freunberger, Stefan A.; Amenitsch, Heinz; Prato, Maurizio; Syrgiannis, Zois","Inter-Backbone Charge Transfer as Prerequisite for Long-Range Conductivity in Perylene Bisimide Hydrogels.","ACS nano","2018","12","6","5800","5806","10.1021/acsnano.8b01689","","","0.7","Synchrotron","","0.1919","0.0977","","","0.2587","0.3263","","","","","","1.02","","","","has coordinates,has disorder","239567","2020-10-21","18:00:00",""
"4516820","15.5848","0.0007","15.5848","0.0007","9.895","0.0005","90","","90","","90","","2403.4","0.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0438","0.0389","","","0.1065","0.1091","","","","","","1.077","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516821","15.6261","0.0018","15.6261","0.0018","9.9155","0.0013","90","","90","","90","","2421.1","0.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.055","0.0488","","","0.1293","0.1341","","","","","","1.076","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516822","15.6634","0.0003","15.6634","0.0003","9.9466","0.0002","90","","90","","90","","2440.32","0.08","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0609","0.053","","","0.1427","0.1484","","","","","","1.065","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516823","15.5789","0.0007","15.5789","0.0007","9.8848","0.0004","90","","90","","90","","2399.06","0.18","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0526","0.0413","","","0.1104","0.1148","","","","","","1.014","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516824","15.6719","0.0004","15.6719","0.0004","9.9574","0.0002","90","","90","","90","","2445.62","0.1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0717","0.0472","","","0.1261","0.1352","","","","","","0.985","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516951","9.044","0.003","13.524","0.003","20.436","0.005","90","","90","","90","","2499.5","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl N O Ru -","- C29 H30 Cl N O Ru -","- C116 H120 Cl4 N4 O4 Ru4 -","4","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.0335","0.0325","","","0.0875","0.0885","","","","","","1.065","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516952","10.5006","0.0001","17.8634","0.0001","34.4468","0.0001","90","","98.1","0.001","90","","6396.95","0.07","110","0.02","110","0.1","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C47 H45 F6 N O P2 Ru -","- C47 H45 F6 N O P2 Ru -","- C282 H270 F36 N6 O6 P12 Ru6 -","6","3","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","x-ray","1.54178","CuKα","","0.0427","0.0414","","","0.1086","0.11","","","","","","1.012","","","","has coordinates","252051","2020-10-21","18:00:00",""
"4516953","10.429","0.003","16.431","0.005","14.06","0.005","90","","98.59","0.014","90","","2382.3","1.3","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C49 H49 Cl4 F6 N O P2 Ru -","- C49 H49 Cl4 F6 N O P2 Ru -","- C98 H98 Cl8 F12 N2 O2 P4 Ru2 -","2","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.06","0.0561","","","0.1479","0.1519","","","","","","1.057","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4517025","3.8541","0.0004","6.0625","0.0005","24.554","0.002","90","","94.163","0.004","90","","572.2","0.09","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C12 H14 O8 -","- C12 H14 O8 -","- C24 H28 O16 -","2","0.5","","Kumalaputri, Angela J.; Randolph, Caelan; Otten, Edwin; Heeres, Hero J.; Deuss, Peter J.","Lewis Acid Catalyzed Conversion of 5-Hydroxymethylfurfural to 1,2,4-Benzenetriol, an Overlooked Biobased Compound.","ACS sustainable chemistry & engineering","2018","6","3","3419","3425","10.1021/acssuschemeng.7b03648","","","0.71073","MoKα","","0.0712","0.0668","","","0.1704","0.1729","","","","","","1.039","","","","has coordinates","239701","2020-10-21","18:00:00",""
"4517026","5.6334","0.0005","17.0832","0.0016","20.6455","0.0019","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","","Dahiya, Anjali; Ali, Wajid; Patel, Bhisma K.","Catalyst and Solvent Free Domino Ring Opening Cyclization: A Greener and Atom Economic Route to 2-Iminothiazolidines","ACS Sustainable Chemistry & Engineering","2018","6","3","4272","","10.1021/acssuschemeng.7b04723","","","0.71073","MoKα","","0.1041","0.0697","","","0.1275","0.1508","","","","","","0.821","","","","has coordinates","239702","2020-10-21","18:00:00",""
"4517027","16.0134","0.0007","9.3012","0.0003","16.3406","0.0008","90","","114.009","0.006","90","","2223.26","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 S2 -","- C24 H26 N2 O2 S2 -","- C96 H104 N8 O8 S8 -","4","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0702","0.046","","","0.1019","0.1147","","","","","","1.022","","","","has coordinates","239703","2020-10-21","18:00:00",""
"4517028","10.1382","0.0006","11.3042","0.0006","13.3643","0.0013","101.411","0.006","93.392","0.006","97.289","0.005","1483.59","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O S -","- C14 H15 Cl N2 O S -","- C56 H60 Cl4 N8 O4 S4 -","4","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0984","0.0598","","","0.1414","0.1661","","","","","","1.018","","","","has coordinates","239704","2020-10-21","18:00:00",""
"4517029","26.0519","0.0012","9.2061","0.0003","28.816","0.0015","90","","113.376","0.006","90","","6343.9","0.6","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H18 N2 O S2 -","- C15 H18 N2 O S2 -","- C240 H288 N32 O16 S32 -","16","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.1007","0.0649","","","0.1451","0.1622","","","","","","1.071","","","","has coordinates,has disorder","239705","2020-10-21","18:00:00",""
"4517030","6.184","0.005","9.994","0.005","16.72","0.005","77.369","0.005","85.008","0.005","80.707","0.005","993.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C38 H52 N4 O6 S2 -","2","1","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","x-ray","0.71073","MoKα","","0.0746","0.0526","","","0.128","0.1442","","","","","","1.034","","","","has coordinates","239706","2020-10-21","18:00:00",""
"4517031","24.9132","0.0013","10.5411","0.0005","10.4984","0.0004","90","","101.545","0.005","90","","2701.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O S -","- C13 H13 Cl N2 O S -","- C104 H104 Cl8 N16 O8 S8 -","8","2","","Janković, Nenad; Stefanović, Srđan; Petronijević, Jelena; Joksimović, Nenad; Novaković, Slađana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vraneš, Milan; Ratković, Zoran; Bugarčić, Zorica","Water-Tuned Tautomer-Selective Tandem Synthesis of the 5,6-Dihydropyrimidin-4(3H)-ones, Driven under the Umbrella of Sustainable Chemistry","ACS Sustainable Chemistry & Engineering","2018","6","10","13358","","10.1021/acssuschemeng.8b03127","","","0.71073","MoKα","","0.1037","0.0854","","","0.2111","0.221","","","","","","1.084","","","","has coordinates,has disorder","239707","2020-10-21","18:00:00",""
"4517032","25.82","0.0006","11.60111","0.00024","8.0841","0.00018","90","","96.0474","0.0021","90","","2408.04","0.09","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 Ce F4 O6 -","- C8 Ce F4 O6 -","- C64 Ce8 F32 O48 -","8","1","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12809","","2.6","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"4517033","21.54155","0.00063","21.54155","0.00063","21.54155","0.00063","90","","90","","90","","9996.1","0.5","398","","398","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 Ce3 F12 O16 -","- C24 Ce3 F12 O16 -","- C192 Ce24 F96 O128 -","8","0.0416667","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","","1.5405","CuKα","","","","","","","","0.08997","","1.845","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"7044761","10.3401","0.0005","22.3949","0.0011","14.6499","0.0007","90","","92.454","0.001","90","","3389.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H49 Li2 N3 O2 Si2 -","- C31 H49 Li2 N3 O2 Si2 -","- C124 H196 Li8 N12 O8 Si8 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0473","0.0393","","","0.0979","0.1039","","","","","","1.047","","","","has coordinates","229571","2020-10-21","18:00:00",""
"7044762","8.7689","0.0006","11.2424","0.0008","17.336","0.0012","87.6876","0.0015","78.307","0.0015","76.5725","0.0014","1627.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H45 Cl N5 Si2 Y -","- C29 H45 Cl N5 Si2 Y -","- C58 H90 Cl2 N10 Si4 Y2 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0553","0.0376","","","0.0822","0.0886","","","","","","1.034","","","","has coordinates","229571","2020-10-21","18:00:00",""
"7044763","12.4061","0.0004","27.5182","0.0009","20.9997","0.0007","90","","95.374","0.001","90","","7137.7","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H99 Cl Li N6 O8 Si4 Sm -","- C62 H99 Cl Li N6 O8 Si4 Sm -","- C248 H396 Cl4 Li4 N24 O32 Si16 Sm4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0835","0.0617","","","0.1626","0.1798","","","","","","1.045","","","","has coordinates,has disorder","229571","2020-10-21","18:00:00",""
"7044764","13.4602","0.0005","14.5208","0.0005","17.841","0.0007","82.808","0.001","78.591","0.001","86.232","0.001","3388.3","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H91 Cl Li N6 O4 Si4 Y -","- C62 H91 Cl Li N6 O4 Si4 Y -","- C124 H182 Cl2 Li2 N12 O8 Si8 Y2 -","2","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0937","0.0529","","","0.1081","0.1239","","","","","","1.016","","","","has coordinates,has disorder","229571","2020-10-21","18:00:00",""
"7044765","10.578","0.002","35.496","0.007","11.439","0.002","90","","102.82","0.03","90","","4188","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H57 Li2 N5 Si2 -","- C39.5 H57 Li2 N5 Si2 -","- C158 H228 Li8 N20 Si8 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0923","0.068","","","0.1462","0.1595","","","","","","1.066","","","","has coordinates,has disorder","229571","2020-10-21","18:00:00",""
"7044766","13.9163","0.0011","14.9401","0.0013","34.281","0.003","90","","97.727","0.002","90","","7062.7","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 Li N6 O5 Si4 Y -","- C66 H100 Li N6 O5 Si4 Y -","- C264 H400 Li4 N24 O20 Si16 Y4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.1715","0.071","","","0.1381","0.1746","","","","","","0.953","","","","has coordinates","229571","2020-10-21","18:00:00",""
"7044767","11.4113","0.0007","27.1287","0.0014","12.0915","0.0008","90","","97.749","0.005","90","","3709","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N5 O Si2 Y -","- C33 H54 N5 O Si2 Y -","- C132 H216 N20 O4 Si8 Y4 -","4","1","","Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Lyssenko, Konstantin A.; Rychagova, Elena A.; Ketkov, Sergey Yu; Trifonov, Alexander A.","Rare-earth metal-mediated PhC[triple bond, length as m-dash]N insertion into N,N-bis(trimethylsilyl)naphthalene-1,8-diamido dianion - a synthetic approach to complexes coordinated by ansa-bridged amido-amidinato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","438","451","10.1039/c7dt03809g","","","0.71073","MoKα","","0.0911","0.0533","","","0.0853","0.0955","","","","","","1.065","","","","has coordinates,has disorder","229571","2020-10-21","18:00:00",""
"7044828","16.7858","0.0013","16.7858","0.0013","34.934","0.004","90","","90","","90","","9843.1","1.6","128","2","128","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C23.5 H31 Br Cl N3 Ni O2 -","- C23.5 H29 Br Cl N3 Ni O2 -","- C376 H464 Br16 Cl16 N48 Ni16 O32 -","16","1","","Yang, Dandan; Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene with tridentate nickel complexes bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","180","189","10.1039/c7dt03928j","","","0.71073","MoKα","","0.0349","0.0279","","","0.079","0.0808","","","","","","1.059","","","","has coordinates,has disorder","229391","2020-10-21","18:00:00",""
"7044829","14.4152","0.0016","14.2949","0.0015","24.256","0.002","90","","103.097","0.004","90","","4868.3","0.8","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Cl4 N6 Ni O2 -","- C48 H60 Cl4 N6 Ni O2 -","- C192 H240 Cl16 N24 Ni4 O8 -","4","1","","Yang, Dandan; Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene with tridentate nickel complexes bearing o-aryloxide-N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","180","189","10.1039/c7dt03928j","","","0.71073","MoKα","","0.0948","0.0804","","","0.1879","0.1975","","","","","","1.114","","","","has coordinates,has disorder","229391","2020-10-21","18:00:00",""
"7044850","18.9321","0.0003","11.23471","0.00018","15.6066","0.0002","90","","96.7047","0.0015","90","","3296.77","0.09","110","2","110","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C26 H32 F12 N6 O2 P2 Ru S2 -","- C26 H32 F12 N6 O2 P2 Ru S2 -","- C104 H128 F48 N24 O8 P8 Ru4 S8 -","4","0.5","","van Rixel, Vincent H. S.; Moolenaar, Geri F.; Siegler, Maxime A.; Messori, Luigi; Bonnet, Sylvestre","Controlling with light the interaction between trans-tetrapyridyl ruthenium complexes and an oligonucleotide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","507","516","10.1039/c7dt03613b","","","1.54178","CuKα","","0.0399","0.0378","","","0.1016","0.1034","","","","","","1.061","","","","has coordinates","229570","2020-10-21","18:00:00",""
"7044851","12.6164","0.0002","13.6053","0.0003","14.3404","0.0003","100.173","0.0017","92.912","0.0016","106.039","0.0017","2315.58","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl2 N6 O Ru S -","- C22 H22 Cl2 N6 O Ru S -","- C88 H88 Cl8 N24 O4 Ru4 S4 -","4","2","","van Rixel, Vincent H. S.; Moolenaar, Geri F.; Siegler, Maxime A.; Messori, Luigi; Bonnet, Sylvestre","Controlling with light the interaction between trans-tetrapyridyl ruthenium complexes and an oligonucleotide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","507","516","10.1039/c7dt03613b","","","0.71073","MoKα","","0.0536","0.041","","","0.1012","0.1091","","","","","","1.096","","","","has coordinates","229570","2020-10-21","18:00:00",""
"7044852","9.54745","0.00018","21.8432","0.0004","18.4565","0.0003","90","","98.2773","0.0017","90","","3808.95","0.12","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 F12 N6 O2 P2 Ru S2 -","- C34 H36 F12 N6 O2 P2 Ru S2 -","- C136 H144 F48 N24 O8 P8 Ru4 S8 -","4","1","","van Rixel, Vincent H. S.; Moolenaar, Geri F.; Siegler, Maxime A.; Messori, Luigi; Bonnet, Sylvestre","Controlling with light the interaction between trans-tetrapyridyl ruthenium complexes and an oligonucleotide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","507","516","10.1039/c7dt03613b","","","1.54178","CuKα","","0.0333","0.0291","","","0.0943","0.0963","","","","","","0.987","","","","has coordinates,has disorder","229570","2020-10-21","18:00:00",""
"7044853","6.87202","0.00014","10.24603","0.00032","9.73888","0.00021","90","","128.918","0.002","90","","533.52","0.03","","","298","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","CAU-15 revised","CAU-15 revised","- C8 Al2 O8.71 -","- C8 Al2 O8.7102 -","- C16 Al4 O17.4204 -","2","0.5","","Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge","Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","215","223","10.1039/c7dt04221c","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229384","2020-10-21","18:00:00",""
"7044854","7.40744","0.00083","23.0071","0.0026","7.08914","0.00038","90","","85.0245","0.0072","90","","1203.6","0.2","","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","CAU-15-Cit Hydrated","CAU-15-Cit Hydrated","- C10 Al4 O21.86 -","- C10 Al4 O21.862 -","- C20 Al8 O43.724 -","2","0.25","","Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge","Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","215","223","10.1039/c7dt04221c","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229384","2020-10-21","18:00:00",""
"7044855","7.001","0.0003","7.5062","0.0008","9.2212","0.0008","72.143","0.007","88.617","0.009","85.242","0.007","459.65","0.07","","","298","","","","","","","","","3","P -1","-P 1","2","","CAU-15-Cit Anhydrous","CAU-15-Cit Anhydrous","- C5 Al2 O8 -","- C5 Al2 O8 -","- C10 Al4 O16 -","2","1","","Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge","Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","215","223","10.1039/c7dt04221c","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229384","2020-10-21","18:00:00",""
"7044857","13.7114","0.0012","14.6838","0.0014","20.57","0.003","92.207","0.011","108.127","0.01","115.148","0.001","3492","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Ho I3 N8 O10 P4 -","- C40 H112 Ho I3 N8 O10 P4 -","- C80 H224 Ho2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","Is a strong axial crystal-field the only essential condition for a large magnetic anisotropy barrier? The case of non-Kramers Ho(iii) versus Tb(iii ).","Dalton transactions (Cambridge, England : 2003)","2018","47","2","357","366","10.1039/c7dt04020b","","","0.71075","MoKα","","0.0517","0.0443","","","0.0844","0.0906","","","","","","1.073","","","","has coordinates","229572","2020-10-21","18:00:00",""
"7044858","13.789","0.002","14.794","0.002","20.679","0.004","92.515","0.015","108.184","0.013","115.182","0.012","3549.4","1.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 O10 P4 Tb -","- C40 H112 I3 N8 O10 P4 Tb -","- C80 H224 I6 N16 O20 P8 Tb2 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","Is a strong axial crystal-field the only essential condition for a large magnetic anisotropy barrier? The case of non-Kramers Ho(iii) versus Tb(iii ).","Dalton transactions (Cambridge, England : 2003)","2018","47","2","357","366","10.1039/c7dt04020b","","","0.71075","MoKα","","0.0497","0.0462","","","0.1012","0.1047","","","","","","1.054","","","","has coordinates","229572","2020-10-21","18:00:00",""
"7044859","13.743","0.002","14.745","0.002","20.69","0.004","92.443","0.014","108.156","0.012","114.93","0.01","3538.3","1.1","150","2","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H112 Ho0.1 I3 N8 O10 P4 Y0.9 -","- C40 H112 Ho0.1 I3 N8 O10 P4 Y0.9 -","- C80 H224 Ho0.2 I6 N16 O20 P8 Y1.8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","Is a strong axial crystal-field the only essential condition for a large magnetic anisotropy barrier? The case of non-Kramers Ho(iii) versus Tb(iii ).","Dalton transactions (Cambridge, England : 2003)","2018","47","2","357","366","10.1039/c7dt04020b","","","0.71075","MoKα","","0.0906","0.0802","","","0.2534","0.2582","","","","","","1.092","","","","has coordinates,has disorder","229572","2020-10-21","18:00:00",""
"7044864","10.4326","0.0003","11.8963","0.0003","16.2638","0.0005","109.899","0.003","108.196","0.003","91.399","0.002","1783.66","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H106 N10 O23 V6 -","- C56 H106 N10 O23 V6 -","- C56 H106 N10 O23 V6 -","1","0.5","","Jia, Hongli; Li, Qi; Bayaguud, Aruuhan; Huang, Yichao; She, Shan; Chen, Kun; Wei, Yongge","Diversified polyoxovanadate derivatives obtained by copper(i)-catalysed azide-alkyne cycloaddition reaction: their synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","577","584","10.1039/c7dt03822d","","x-ray","1.54184","CuKα","","0.0643","0.058","","","0.1654","0.1729","","","","","","1.05","","","","has coordinates","229575","2020-10-21","18:00:00",""
"7044865","10.2078","0.0004","20.8402","0.001","16.9703","0.0009","90","","91.971","0.004","90","","3608","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H98 Cl2 N8 O19 V6 -","- C58 H98 Cl2 N8 O19 V6 -","- C116 H196 Cl4 N16 O38 V12 -","2","0.5","","Jia, Hongli; Li, Qi; Bayaguud, Aruuhan; Huang, Yichao; She, Shan; Chen, Kun; Wei, Yongge","Diversified polyoxovanadate derivatives obtained by copper(i)-catalysed azide-alkyne cycloaddition reaction: their synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","577","584","10.1039/c7dt03822d","","x-ray","1.54184","CuKα","","0.092","0.0642","","","0.1821","0.2066","","","","","","1.014","","","","has coordinates","229575","2020-10-21","18:00:00",""
"7044866","10.2063","0.0005","21.4566","0.0018","16.8058","0.0012","90","","91.666","0.005","90","","3678.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 N8 O19 V6 -","- C60 H104 N8 O19 V6 -","- C120 H208 N16 O38 V12 -","2","0.5","","Jia, Hongli; Li, Qi; Bayaguud, Aruuhan; Huang, Yichao; She, Shan; Chen, Kun; Wei, Yongge","Diversified polyoxovanadate derivatives obtained by copper(i)-catalysed azide-alkyne cycloaddition reaction: their synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","577","584","10.1039/c7dt03822d","","x-ray","1.54184","CuKα","","0.1006","0.0774","","","0.2241","0.2525","","","","","","0.998","","","","has coordinates,has disorder","229575","2020-10-21","18:00:00",""
"7044867","17.1864","0.0007","15.7148","0.0005","25.1531","0.0008","90","","97.715","0.003","90","","6731.9","0.4","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H96 N8 O21 V6 -","- C48 H96 N8 O21 V6 -","- C192 H384 N32 O84 V24 -","4","1","","Jia, Hongli; Li, Qi; Bayaguud, Aruuhan; Huang, Yichao; She, Shan; Chen, Kun; Wei, Yongge","Diversified polyoxovanadate derivatives obtained by copper(i)-catalysed azide-alkyne cycloaddition reaction: their synthesis and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","577","584","10.1039/c7dt03822d","","x-ray","1.54184","CuKα","","0.0921","0.0781","","","0.2203","0.2381","","","","","","1.062","","","","has coordinates,has disorder","229575","2020-10-21","18:00:00",""
"7044868","16.8227","0.0012","11.3329","0.0008","25.1614","0.0017","90","","90","","90","","4797","0.6","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H24 Cl3 N O2 Ru -","- C24 H24 Cl3 N O2 Ru -","- C192 H192 Cl24 N8 O16 Ru8 -","8","1","","Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman","Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","517","527","10.1039/c7dt03637j","","","0.71073","MoKα","","0.0373","0.0282","","","0.0693","0.0741","","","","","","1.071","","","","has coordinates","229576","2020-10-21","18:00:00",""
"7044869","9.328","0.005","11.49","0.006","21.33","0.01","90","","90","","90","","2286","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl O3 Ru -","- C24 H27 Cl O3 Ru -","- C96 H108 Cl4 O12 Ru4 -","4","1","","Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman","Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","517","527","10.1039/c7dt03637j","","","0.71073","MoKα","","0.1189","0.0532","","","0.1294","0.1454","","","","","","1.07","","","","has coordinates","229576","2020-10-21","18:00:00",""
"7044871","11.8864","0.0006","13.5332","0.0007","17.2923","0.0009","79.669","0.001","74.671","0.001","86.672","0.001","2639","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","(TerphCS2)2","Bis[2,6-bis(4-tert-butylphenyl)phenylcarbothioyl] disulfide","","- C54 H58 S4 -","- C54 H58 S4 -","- C108 H116 S8 -","2","1","","Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John","f-Block complexes of a m-terphenyl dithiocarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","96","104","10.1039/c7dt04073c","","","0.71073","MoKα","","0.0909","0.0592","","","0.1423","0.1616","","","","","","1.045","","","","has coordinates","229385","2020-10-21","18:00:00",""
"7044872","20.1124","0.0013","25.4125","0.0016","17.7928","0.0011","90","","120.118","0.003","90","","7866.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(TerphCS2)3La","Tris[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato] lanthanum(III)","","- C83 H91 Cl4 La S6 -","- C83 H91 Cl4 La S6 -","- C332 H364 Cl16 La4 S24 -","4","0.5","","Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John","f-Block complexes of a m-terphenyl dithiocarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","96","104","10.1039/c7dt04073c","","","0.71073","MoKα","","0.0503","0.0412","","","0.0976","0.1031","","","","","","1.057","","","","has coordinates","229385","2020-10-21","18:00:00",""
"7044873","14.1644","0.0008","15.2313","0.0008","21.2845","0.0012","77.987","0.003","70.849","0.003","75.738","0.002","4163.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(TerphCS2)3La(toluene)","Tris[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato]-(toluene) lanthanum(III) toluene solvate","","- C95 H103 La S6 -","- C95 H103 La S6 -","- C190 H206 La2 S12 -","2","1","","Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John","f-Block complexes of a m-terphenyl dithiocarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","96","104","10.1039/c7dt04073c","","","0.71073","MoKα","","0.0438","0.0397","","","0.1038","0.1063","","","","","","1.044","","","","has coordinates","229385","2020-10-21","18:00:00",""
"7044874","18.3098","0.001","18.5236","0.0011","19.3377","0.0011","74.181","0.003","74.607","0.003","63.541","0.003","5569.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(TerphCS2)4Th(THF)","Tetrakis[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato]-(tetrahydrofuran) thorium(IV)","","- C116 H132 O2 S8 Th -","- C116 H132 O2 S8 Th -","- C232 H264 O4 S16 Th2 -","2","1","","Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John","f-Block complexes of a m-terphenyl dithiocarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","96","104","10.1039/c7dt04073c","","","0.71073","MoKα","","0.0434","0.0379","","","0.0935","0.0966","","","","","","1.081","","","","has coordinates","229385","2020-10-21","18:00:00",""
"7044875","17.645","0.0007","20.5248","0.0008","28.1239","0.001","82.843","0.002","88.847","0.002","70.436","0.002","9520","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","MAB_I_137a","Tetrakis[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato] uranium(IV)","","- C108 H116 S8 U -","- C108 H116 S8 U -","- C432 H464 S32 U4 -","4","2","","Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John","f-Block complexes of a m-terphenyl dithiocarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","1","96","104","10.1039/c7dt04073c","","","0.71073","MoKα","","0.1089","0.0682","","","0.1683","0.1958","","","","","","1.066","","","","has coordinates,has disorder","229385","2020-10-21","18:00:00",""
"7044878","10.5459","0.0005","24.9707","0.0011","10.515","0.0005","90","","94.084","0.002","90","","2762","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S128","","","- C25 H30 Co N4 Na O5 S2 -","- C25 H30 Co N4 Na O5 S2 -","- C100 H120 Co4 N16 Na4 O20 S8 -","4","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","331","347","10.1039/c7dt03929h","","","0.71073","MoKα","","0.0304","0.0257","","","0.0617","0.0637","","","","","","1.042","","","","has coordinates","229564","2020-10-21","18:00:00",""
"7044879","10.5658","0.0012","19.155","0.002","15.1985","0.0017","90","","108.723","0.004","90","","2913.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H57 Br4 Co2 N6 Na2 O14 S2 -","- C50.5 H57 Br4 Co2 N6 Na2 O14 S2 -","- C101 H114 Br8 Co4 N12 Na4 O28 S4 -","2","0.5","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","331","347","10.1039/c7dt03929h","","","0.71073","MoKα","","0.0493","0.0416","","","0.083","0.0856","","","","","","1.118","","","","has coordinates,has disorder","229564","2020-10-21","18:00:00",""
"7044880","13.5731","0.0007","14.5632","0.0007","13.562","0.0007","90","","112.101","0.002","90","","2483.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S140","","","- C48 H54 Co2 N6 Na2 O12 S2 -","- C48 H54 Co2 N6 Na2 O12 S2 -","- C96 H108 Co4 N12 Na4 O24 S4 -","2","0.5","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","331","347","10.1039/c7dt03929h","","","0.71073","MoKα","","0.0442","0.036","","","0.0892","0.0931","","","","","","1.035","","","","has coordinates","229564","2020-10-21","18:00:00",""
"7044883","14.3482","0.0017","13.7645","0.0016","18.792","0.002","90","","92.701","0.002","90","","3707.2","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Cd2 N4 O11.5 -","- C30 H37 Cd2 N4 O11.5 -","- C120 H148 Cd8 N16 O46 -","4","1","","Ji, Wen-Juan; Hao, Rui-Qing; Pei, Wei-Wei; Feng, Lin; Zhai, Quan-Guo","Design of two isoreticular Cd-biphenyltetracarboxylate frameworks for dye adsorption, separation and photocatalytic degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","700","707","10.1039/c7dt04113f","","","0.71073","MoKα","","0.0586","0.0515","","","0.1525","0.1646","","","","","","1.106","","","","has coordinates,has disorder","230060","2020-10-21","18:00:00",""
"7044884","27.0301","0.001","19.4983","0.0005","28.5432","0.0008","90","","90","","90","","15043.4","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C52 H61 Cd4 N5 O23 -","- C52 H61 Cd4 N5 O23 -","- C416 H488 Cd32 N40 O184 -","8","1","","Ji, Wen-Juan; Hao, Rui-Qing; Pei, Wei-Wei; Feng, Lin; Zhai, Quan-Guo","Design of two isoreticular Cd-biphenyltetracarboxylate frameworks for dye adsorption, separation and photocatalytic degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","700","707","10.1039/c7dt04113f","","","0.71073","MoKα","","0.0713","0.0523","","","0.1534","0.1637","","","","","","1.067","","","","has coordinates","230060","2020-10-21","18:00:00",""
"7044887","12.158","0.002","12.408","0.003","15.666","0.003","76.75","0.03","85.54","0.03","75.42","0.03","2225.8","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Cl4 F12 N10 P2 Ru -","- C38 H36 Cl4 F12 N10 P2 Ru -","- C76 H72 Cl8 F24 N20 P4 Ru2 -","2","1","","Wu, Si-Hai; Shao, Jiang-Yang; Gong, Zhong-Liang; Chen, Na; Zhong, Yu-Wu","Tuning the dual emissions of a monoruthenium complex with a dangling coordination site by solvents, O<sub>2</sub>, and metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","292","297","10.1039/c7dt04198e","","","0.71073","MoKα","","0.0879","0.0841","","","0.2209","0.2248","","","","","","1.063","","","","has coordinates,has disorder","229574","2020-10-21","18:00:00",""
"7044888","13.864","0.003","25.762","0.005","6.599","0.0013","90","","110.57","0.03","90","","2206.7","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N6 O7.25 Pt -","- C18 H22 N6 O7.25 Pt -","- C72 H88 N24 O29 Pt4 -","4","0.5","","Pages, Benjamin J.; Sakoff, Jennette; Gilbert, Jayne; Zhang, Yingjie; Kelly, Sharon M.; Hoeschele, James D.; Aldrich-Wright, Janice R","Combining the platinum(ii) drug candidate kiteplatin with 1,10-phenanthroline analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2156","2163","10.1039/c7dt04108j","","","0.71074","silicondoublecrystalmonochromatedsynchrotron","","0.0384","0.038","","","0.1066","0.107","","","","","","1.065","","","","has coordinates,has disorder","229782","2020-10-21","18:00:00",""
"7044889","6.5282","0.0006","10.9208","0.0011","10.9233","0.0011","93.983","0.004","106.175","0.004","103.677","0.004","719.04","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Uranyl 3,5-pyridinedicarboxylate","","","- C11 H10 N2 O9 U -","- C11 H10 N2 O9 U -","- C22 H20 N4 O18 U2 -","2","1","","Liu, Wei; Xie, Jian; Zhang, Linmeng; Silver, Mark A.; Wang, Shuao","A hydrolytically stable uranyl organic framework for highly sensitive and selective detection of Fe<sup>3+</sup> in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","649","653","10.1039/c7dt04365a","","","0.71073","MoKα","","0.0266","0.0232","","","0.0507","0.0517","","","","","","1.089","","","","has coordinates","230059","2020-10-21","18:00:00",""
"7044890","39.8231","0.0014","39.8231","0.0014","39.8231","0.0014","90","","90","","90","","63155","4","120","2","120","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C26 H16 Cu2 O10 -","- C33 H14 Cu2 O10 -","- C1584 H672 Cu96 O480 -","48","0.25","","Chen, Fengli; Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","A pair of polymorphous metal-organic frameworks based on an angular diisophthalate linker: synthesis, characterization and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","716","725","10.1039/c7dt04087c","","","0.71073","MoKα","","0.1098","0.0783","","","0.2182","0.2296","","","","","","1.426","","","","has coordinates,has disorder","230078","2020-10-21","18:00:00",""
"7044891","28.3675","0.0001","28.3675","0.0001","28.6376","0.0002","90","","90","","90","","23045.1","0.2","293","2","293","2","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","","","- C78 H48 Cu6 O30 -","- C78 H36 Cu6 O30 -","- C624 H288 Cu48 O240 -","8","0.5","","Chen, Fengli; Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing","A pair of polymorphous metal-organic frameworks based on an angular diisophthalate linker: synthesis, characterization and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","716","725","10.1039/c7dt04087c","","","0.71073","MoKα","","0.0524","0.0511","","","0.1654","0.1677","","","","","","1.08","","","","has coordinates","230078","2020-10-21","18:00:00",""
"7044892","7.7082","0.0003","16.2218","0.0007","18.5875","0.0008","90","","99.282","0.001","90","","2293.77","0.17","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N4 O5 Zn -","- C25 H21 N4 O5 Zn -","- C100 H84 N16 O20 Zn4 -","4","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0781","0.0449","","","0.0936","0.1064","","","","","","1.034","","","","has coordinates","229533","2020-10-21","18:00:00",""
"7044893","6.9722","0.0003","17.7181","0.0007","17.6067","0.0007","90","","93.549","0.001","90","","2170.86","0.15","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cd N4 O4 -","- C25 H19 Cd N4 O4 -","- C100 H76 Cd4 N16 O16 -","4","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0423","0.036","","","0.0884","0.0916","","","","","","1.084","","","","has coordinates,has disorder","229533","2020-10-21","18:00:00",""
"7044894","16.868","0.002","11.4944","0.0016","22.937","0.003","90","","90","","90","","4447.2","1","296","2","296.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C50 H40 N8 Ni2 O9 -","- C50 H40 N8 Ni2 O9 -","- C200 H160 N32 Ni8 O36 -","4","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0557","0.0413","","","0.0876","0.0934","","","","","","1.014","","","","has coordinates,has disorder","229533","2020-10-21","18:00:00",""
"7044895","10.7075","0.0005","12.7585","0.0005","13.032","0.0005","90","","112.884","0.001","90","","1640.2","0.12","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 N4 Ni O9 -","- C36 H28 N4 Ni O9 -","- C72 H56 N8 Ni2 O18 -","2","1","","Zhang, Xiu-Tang; Chen, Hong-Tai; Li, Bin; Liu, Guang-Zeng; Liu, Xin-Zheng","Assembly of a series of coordination polymers built from rigid a tetracarboxylate ligand and flexible bis(imidazole) linker: syntheses, structural diversities, luminescence sensing, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1202","1213","10.1039/c7dt03761a","","","0.71073","MoKα","","0.0373","0.0358","","","0.0876","0.0887","","","","","","1.038","","","","has coordinates,has disorder","229533","2020-10-21","18:00:00",""
"7044899","18.8742","0.0007","19.2976","0.0006","28.2594","0.0011","81.124","0.002","75.264","0.002","88.303","0.002","9834.6","0.6","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C168 H168 Au33.83 Cu2.17 S24 -","- C168 H152 Au33.81 Cu2.19 S24 -","- C336 H304 Au67.62 Cu4.38 S48 -","2","1","","Rao, Bo; Zhao, Tong; Yang, Sha; Chai, Jinsong; Pan, Yiting; Weng, Shiyin; Yu, Haizhu; Li, Xiaowu; Zhu, Manzhou","X-ray crystal structure and doping mechanism of bimetallic nanocluster Au<sub>36-x</sub>Cu<sub>x</sub>(m-MBT)<sub>24</sub> (x = 1-3).","Dalton transactions (Cambridge, England : 2003)","2018","47","2","475","480","10.1039/c7dt02959d","","","1.54178","CuKα","","0.1717","0.1189","","","0.2839","0.3275","","","","","","1.036","","","","has coordinates,has disorder","229573","2020-10-21","18:00:00",""
"7044900","16.9643","0.0003","10.1943","0.0001","21.8245","0.0004","90","","112.643","0.002","90","","3483.39","0.11","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- Al11 Li6 Na3 O90 P22 Sr14 -","- Al11 Li6 Na3 O90 P22 Sr14 -","- Al22 Li12 Na6 O180 P44 Sr28 -","2","0.25","","Yao, Xiao-Ni; Chen, Yi-Gang; Guo, Yao; Jia, Ying-Jie; Jiang, Xing-Xing; Zhang, Xian-Ming","Li<sub>6</sub>Na<sub>3</sub>Sr<sub>14</sub>Al<sub>11</sub>P<sub>22</sub>O<sub>90</sub>: an oxo-centered Al<sub>3</sub> cluster based phosphate constructed from two types of (3,6)-connected kgd layers.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","298","301","10.1039/c7dt03854b","","","0.71073","MoKα","","0.0769","0.0763","","","0.1864","0.1869","","","","","","1.036","","","","has coordinates,has disorder","229566","2020-10-21","18:00:00",""
"7044901","12.147","0.0003","6.6285","0.0002","17.9227","0.0005","90","","97.458","0.001","90","","1430.86","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Mg N10 O10 -","- C20 H20 Mg N10 O10 -","- C40 H40 Mg2 N20 O20 -","2","0.5","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0376","0.0318","","","0.0816","0.097","","","","","","1.252","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044902","11.0319","0.0005","12.4908","0.0005","17.7452","0.0008","90","","90","","90","","2445.24","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Ca N10 O6 -","- C20 H12 Ca N10 O6 -","- C80 H48 Ca4 N40 O24 -","4","1","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0276","0.0239","","","0.0524","0.0544","","","","","","1.054","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044903","6.832","0.0002","13.8221","0.0004","21.1263","0.0005","90","","90","","90","","1995.01","0.09","100","2","100","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- C18 H8 Ba N8 O3 -","- C18 H8 Ba N8 O3 -","- C72 H32 Ba4 N32 O12 -","4","1","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0175","0.0154","","","0.0352","0.0363","","","","","","1.039","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044904","7.2643","0.0002","22.2182","0.0007","7.5502","0.0002","90","","116.124","0.001","90","","1094.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 N8 O5 Sr -","- C18 H12 N8 O5 Sr -","- C36 H24 N16 O10 Sr2 -","2","0.5","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.023","0.0205","","","0.0441","0.052","","","","","","1.183","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044905","7.183","0.0002","21.9235","0.0008","7.4531","0.0003","90","","115.695","0.001","90","","1057.63","0.07","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H12 Ca N8 O5 -","- C18 H12 Ca N8 O5 -","- C36 H24 Ca2 N16 O10 -","2","0.5","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0722","0.0491","","","0.0769","0.08","","","","","","1.132","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044906","9.3358","0.0003","5.14807","0.00013","15.4325","0.0004","90","","94.663","0.003","90","","739.25","0.04","296.65","0.1","296.65","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N O6 P Zn -","- C3 H8 N O6 P Zn -","- C12 H32 N4 O24 P4 Zn4 -","4","1","","Shi, Jingyu; Wang, Kangcai; Li, Jing; Zeng, Hongmei; Zhang, Qinghua; Lin, Zhien","Exploration of new water stable proton-conducting materials in an amino acid-templated metal phosphate system.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","654","658","10.1039/c7dt04125j","","x-ray","1.54184","CuKα","","0.0447","0.0411","","","0.1054","0.1103","","","","","","1.066","","","","has coordinates","230070","2020-10-21","18:00:00",""
"7044907","6.66135","0.00016","13.953","0.0003","10.7767","0.0002","90","","95.385","0.002","90","","997.23","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 In N O10 P2 -","- C3 H10 In N O10 P2 -","- C12 H40 In4 N4 O40 P8 -","4","1","","Shi, Jingyu; Wang, Kangcai; Li, Jing; Zeng, Hongmei; Zhang, Qinghua; Lin, Zhien","Exploration of new water stable proton-conducting materials in an amino acid-templated metal phosphate system.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","654","658","10.1039/c7dt04125j","","x-ray","1.54184","CuKα","","0.0503","0.0445","","","0.1061","0.111","","","","","","1.065","","","","has coordinates","230070","2020-10-21","18:00:00",""
"7044908","9.856","0.002","19.543","0.005","11.99","0.003","90","","112.105","0.009","90","","2139.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Mn N8 Ni O4 -","- C19 H20 Mn N8 Ni O4 -","- C76 H80 Mn4 N32 Ni4 O16 -","4","1","","Ghosh, Sagar; Roy, Shuvayan; Liu, Cai-Ming; Mohanta, Sasankasekhar","A nickel(ii)-manganese(ii)-azido layered coordination polymer showing a three-dimensional ferrimagnetic order at 35 K.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","836","844","10.1039/c7dt04032f","","","0.71073","MoKα","","0.0341","0.0266","","","0.0666","0.0732","","","","","","1.002","","","","has coordinates","230069","2020-10-21","18:00:00",""
"7044909","7.2335","0.0019","7.2335","0.0019","17.751","0.009","90","","90","","120","","804.4","0.5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B6 Ba O12 Rb Y -","- B6 Ba O12 Rb Y -","- B18 Ba3 O36 Rb3 Y3 -","3","0.166667","","Chen, Xinglong; Zhang, Fangfang; Shi, Yunjing; Sun, Yanzhou; Yang, Zhihua; Pan, Shilie","MBaYB<sub>6</sub>O<sub>12</sub> (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","750","757","10.1039/c7dt04223j","","","0.71073","MoKα","","0.0268","0.0259","","","0.0739","0.0743","","","","","","1.271","","","","has coordinates","230067","2020-10-21","18:00:00",""
"7044910","7.2879","0.0004","7.2879","0.0004","18.072","0.003","90","","90","","120","","831.27","0.15","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- B6 Ba Cs O12 Y -","- B6 Ba Cs O12 Y -","- B18 Ba3 Cs3 O36 Y3 -","3","0.166667","","Chen, Xinglong; Zhang, Fangfang; Shi, Yunjing; Sun, Yanzhou; Yang, Zhihua; Pan, Shilie","MBaYB<sub>6</sub>O<sub>12</sub> (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","750","757","10.1039/c7dt04223j","","","0.71073","MoKα","","0.0167","0.0159","","","0.0406","0.041","","","","","","1.088","","","","has coordinates","230067","2020-10-21","18:00:00",""
"7044911","11.353","0.006","13.219","0.007","13.408","0.007","89.754","0.008","77.245","0.008","64.976","0.007","1769.3","1.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H72 N14 O30 Pd V10 -","- C52 H70 N14 O28 Pd V10 -","- C52 H70 N14 O28 Pd V10 -","1","0.5","","Huang, Xianqiang; Li, Jikun; Shen, Guodong; Xin, Nana; Lin, Zhengguo; Chi, Yingnan; Dou, Jianmin; Li, Dacheng; Hu, Changwen","Three Pd-decavanadates with a controllable molar ratio of Pd to decavanadate and their heterogeneous aerobic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","726","733","10.1039/c7dt03898d","","","0.71073","MoKα","","0.0442","0.0346","","","0.0711","0.0759","","","","","","0.955","","","","has coordinates,has disorder","230063","2020-10-21","18:00:00",""
"7044912","9.5424","0.0008","11.2379","0.0009","11.8608","0.0011","115.251","0.002","108.069","0.001","98.873","0.001","1031.12","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- H52 N12 O36 Pd3 V10 -","- H52 N12 O36 Pd3 V10 -","- H52 N12 O36 Pd3 V10 -","1","0.5","","Huang, Xianqiang; Li, Jikun; Shen, Guodong; Xin, Nana; Lin, Zhengguo; Chi, Yingnan; Dou, Jianmin; Li, Dacheng; Hu, Changwen","Three Pd-decavanadates with a controllable molar ratio of Pd to decavanadate and their heterogeneous aerobic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","726","733","10.1039/c7dt03898d","","","0.71073","MoKα","","0.0373","0.0298","","","0.0702","0.0733","","","","","","0.988","","","","has coordinates","230063","2020-10-21","18:00:00",""
"7044913","12.617","0.0012","12.655","0.0012","15.6028","0.0015","68.317","0.001","83.535","0.002","78.824","0.002","2268.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H50 N4 O28 V10 -","- C16 H50 N4 O28 V10 -","- C32 H100 N8 O56 V20 -","2","1","","Huang, Xianqiang; Li, Jikun; Shen, Guodong; Xin, Nana; Lin, Zhengguo; Chi, Yingnan; Dou, Jianmin; Li, Dacheng; Hu, Changwen","Three Pd-decavanadates with a controllable molar ratio of Pd to decavanadate and their heterogeneous aerobic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","726","733","10.1039/c7dt03898d","","","0.71073","MoKα","","0.0834","0.0607","","","0.2033","0.2797","","","","","","1.126","","","","has coordinates","230063","2020-10-21","18:00:00",""
"7044914","9.715","0.007","10.642","0.007","19.195","0.013","90","","93.083","0.012","90","","1982","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H42 N8 O32 Pd2 V10 -","- C8 H42 N8 O32 Pd2 V10 -","- C16 H84 N16 O64 Pd4 V20 -","2","0.5","","Huang, Xianqiang; Li, Jikun; Shen, Guodong; Xin, Nana; Lin, Zhengguo; Chi, Yingnan; Dou, Jianmin; Li, Dacheng; Hu, Changwen","Three Pd-decavanadates with a controllable molar ratio of Pd to decavanadate and their heterogeneous aerobic oxidation of benzylic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","726","733","10.1039/c7dt03898d","","","0.71073","MoKα","","0.0879","0.0737","","","0.2254","0.2518","","","","","","1.133","","","","has coordinates","230063","2020-10-21","18:00:00",""
"7044915","10.889","0.001","11.95","0.001","16.851","0.002","108.7","0.01","96.41","0.01","107.01","0.01","1934.3","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H35 B Cu F4 N5 P2 -","- C42 H35 B Cu F4 N5 P2 -","- C84 H70 B2 Cu2 F8 N10 P4 -","2","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.044","0.0306","","","0.067","0.0727","","","","","","1.032","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044916","9.0816","0.0002","18.2546","0.0006","22.2364","0.0006","90","","91.356","0.002","90","","3685.34","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Cu N5 P2 -","- C42 H34 Cu N5 P2 -","- C168 H136 Cu4 N20 P8 -","4","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.1137","0.0765","","","0.1337","0.1489","","","","","","1.139","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044917","12.294","0.001","13.17","0.001","14.471","0.001","71","0.01","85.67","0.01","69.54","0.01","2073.7","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","1","0.5","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0675","0.0565","","","0.1509","0.1615","","","","","","1.029","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044918","9.0162","0.0004","17.8097","0.0012","22.3584","0.0019","90","","90.648","0.006","90","","3590","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cu N5 O P2 -","- C42 H32 Cu N5 O P2 -","- C168 H128 Cu4 N20 O4 P8 -","4","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0494","0.0343","","","0.0721","0.0779","","","","","","1.051","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044919","11.423","0.001","14.922","0.002","25.552","0.003","90","","95.86","0.01","90","","4332.7","0.9","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C48.5 H38 B Cl Cu F4 N3 O P2 -","- C194 H152 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0422","0.0366","","","0.0851","0.0885","","","","","","1.056","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044920","9.144","0.001","18.331","0.002","23.049","0.002","90","","95.93","0.01","90","","3842.8","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Cu N3 O P2 -","- C48 H36 Cu N3 O P2 -","- C192 H144 Cu4 N12 O4 P8 -","4","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.1791","0.1098","","","0.2609","0.3093","","","","","","1.049","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044921","15.264","0.002","22.97","0.003","17.299","0.003","90","","113.43","0.01","90","","5565.2","1.5","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C114 H100 B2 Cl4 Cu4 F8 N10 P8 -","- C114 H100 B2 Cl4 Cu4 F8 N10 P8 -","- C228 H200 B4 Cl8 Cu8 F16 N20 P16 -","2","0.5","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0638","0.0445","","","0.1025","0.1116","","","","","","1.034","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044922","23.3084","0.0008","15.1103","0.0008","23.8529","0.001","90","","98.53","0.002","90","","8308","0.6","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C45 H39 B Cu F4 N4 O1.5 P2 -","- C45 H39 B Cu F4 N4 O1.5 P2 -","- C360 H312 B8 Cu8 F32 N32 O12 P16 -","8","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","1.54178","CuKα","","0.0366","0.0314","","","0.0808","0.0844","","","","","","1.032","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044923","15.024","0.001","14.129","0.002","19.206","0.002","90","","108.6","0.01","90","","3864","0.8","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H82 Cu2 F12 N6 O2 P6 -","- C82 H82 Cu2 F12 N6 O2 P6 -","- C164 H164 Cu4 F24 N12 O4 P12 -","2","0.5","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0686","0.0519","","","0.1323","0.145","","","","","","1.026","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044924","12.7716","0.0006","15.7488","0.0007","28.7966","0.0013","87.544","0.002","80.793","0.002","71.984","0.002","5437","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H98 B2 Cu4 F8 N8 P8 -","- C114 H98 B2 Cu4 F8 N8 P8 -","- C228 H196 B4 Cu8 F16 N16 P16 -","2","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","1.54178","CuKα","","0.0533","0.0446","","","0.1106","0.116","","","","","","1.017","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044925","12.0277","0.0005","12.901","0.0005","14.6324","0.0005","100.14","0.002","113.803","0.002","94.065","0.002","2019.37","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu F6 N4 P3 -","- C43 H36 Cu F6 N4 P3 -","- C86 H72 Cu2 F12 N8 P6 -","2","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0719","0.0644","","","0.1658","0.1734","","","","","","1.061","","","","has coordinates,has disorder","229579","2020-10-21","18:00:00",""
"7044926","11.278","0.001","12.684","0.001","16.171","0.001","83.52","0.01","76.41","0.01","66.6","0.01","2063.1","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H39 B Cu F4 N3 P2 -","- C48 H39 B Cu F4 N3 P2 -","- C96 H78 B2 Cu2 F8 N6 P4 -","2","1","","Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan","The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","608","621","10.1039/c7dt03682e","","","0.71073","MoKα","","0.0454","0.033","","","0.0777","0.0839","","","","","","1.025","","","","has coordinates","229579","2020-10-21","18:00:00",""
"7044927","13.004","0.004","11.372","0.004","11.58","0.004","90","","94.447","0.004","90","","1707.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl Ge N2 S -","- C14 H23 Cl Ge N2 S -","- C56 H92 Cl4 Ge4 N8 S4 -","4","1","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0814","0.071","","","0.1951","0.1994","","","","","","1.075","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044928","11.9462","0.0012","12.6983","0.0013","11.6365","0.0011","90","","90","","90","","1765.2","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H23 Cl N2 S Sn -","- C14 H23 Cl N2 S Sn -","- C56 H92 Cl4 N8 S4 Sn4 -","4","0.5","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0218","0.0197","","","0.0524","0.0534","","","","","","1.013","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044929","10.9327","0.0008","12.4204","0.0009","13.7243","0.0009","90","","90","","90","","1863.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl Ge N2 S2 -","- C14 H23 Cl Ge N2 S2 -","- C56 H92 Cl4 Ge4 N8 S8 -","4","1","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0298","0.029","","","0.0731","0.0735","","","","","","1.048","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044930","10.5769","0.0019","10.7781","0.0019","16.372","0.003","106.544","0.002","92.127","0.002","107.936","0.002","1686.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H38 Cl2 N4 S2 Si3 Sn2 -","- C21 H38 Cl2 N4 S2 Si3 Sn2 -","- C42 H76 Cl4 N8 S4 Si6 Sn4 -","2","1","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.033","0.03","","","0.0788","0.0808","","","","","","1.016","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044931","12.9068","0.001","11.6435","0.0009","14.1347","0.0011","90","","95.821","0.001","90","","2113.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","'C28 H46 Cl2 N4 S4 Sn2, C6 H6'","","- C34 H52 Cl2 N4 S4 Sn2 -","- C34 H52 Cl2 N4 S4 Sn2 -","- C68 H104 Cl4 N8 S8 Sn4 -","2","0.5","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0333","0.03","","","0.0899","0.0922","","","","","","1.017","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044932","17.7011","0.0014","11.7652","0.0009","18.2391","0.0014","90","","99.355","0.001","90","","3747.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl Ge N2 S Se -","- C14 H23 Cl Ge N2 S Se -","- C112 H184 Cl8 Ge8 N16 S8 Se8 -","8","2","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0281","0.0216","","","0.0473","0.0482","","","","","","1.031","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044933","10.372","0.002","10.737","0.002","16.616","0.004","106.556","0.003","97.759","0.003","108.288","0.002","1632.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","'C21 H37 Cl2 Ge2 N4 S2 Si3","","- C21 H38 Cl2 Ge2 N4 S2 Si3 -","- C21 H38 Cl2 Ge2 N4 S2 Si3 -","- C42 H76 Cl4 Ge4 N8 S4 Si6 -","2","1","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0543","0.0368","","","0.075","0.0789","","","","","","1.007","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044934","13.0087","0.0012","11.6396","0.001","14.1127","0.0013","90","","96.045","0.001","90","","2125","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","'C28 H46 Cl2 N4 S2 Se2 Sn2, C6 H6'","","- C34 H52 Cl2 N4 S2 Se2 Sn2 -","- C34 H52 Cl2 N4 S2 Se2 Sn2 -","- C68 H104 Cl4 N8 S4 Se4 Sn4 -","2","0.5","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0306","0.0285","","","0.0744","0.0754","","","","","","1.016","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044935","14.595","0.003","9.698","0.002","17.734","0.004","90","","90.282","0.007","90","","2510.1","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ptppyavo","","- C31 H29 N O3 Pt -","- C31 H26 N O3 Pt -","- C124 H104 N4 O12 Pt4 -","4","1","","Zhou, Yuyang; Jia, Junli; Cai, Leilei; Huang, Yinhao","Protein staining agents from low toxic platinum(ii) complexes with bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","693","699","10.1039/c7dt02970e","","","0.71073","MoKα","","0.0989","0.0886","","","0.334","0.3469","","","","","","1.097","","","","has coordinates,has disorder","230056","2020-10-21","18:00:00",""
"7044936","20.5424","0.0003","13.9845","0.0002","24.545","0.0004","90","","103.002","0.002","90","","6870.39","0.19","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H70 B2 Fe N6 -","- C94 H70 B2 Fe N6 -","- C376 H280 B8 Fe4 N24 -","4","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Lochenie, Charles; Weber, Birgit; Rüffer, Tobias","Bis-meridional Fe<sup>2+</sup> spincrossover complexes of phenyl and pyridyl substituted 2-(pyridin-2-yl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","491","506","10.1039/c7dt02320k","","","0.71073","MoKα","","0.0757","0.0618","","","0.1559","0.164","","","","","","1.054","","","","has coordinates","229569","2020-10-21","18:00:00",""
"7044937","14.3151","0.0005","7.6008","0.0003","22.0055","0.0009","90","","95.758","0.004","90","","2382.25","0.16","110","","110","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H42 B2 F8 Fe N6 O2 -","- C52 H42 B2 F8 Fe N6 O2 -","- C104 H84 B4 F16 Fe2 N12 O4 -","2","0.5","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Lochenie, Charles; Weber, Birgit; Rüffer, Tobias","Bis-meridional Fe<sup>2+</sup> spincrossover complexes of phenyl and pyridyl substituted 2-(pyridin-2-yl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","491","506","10.1039/c7dt02320k","","","1.54184","CuKα","","0.0702","0.061","","","0.1599","0.1741","","","","","","1.034","","","","has coordinates","229569","2020-10-21","18:00:00",""
"7044938","20.1322","0.0007","11.2883","0.0003","17.4177","0.0006","90","","90","","90","","3958.3","0.2","120","","120","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H31 Cl2 Fe N9 O8 -","- C46 H31 Cl2 Fe N9 O8 -","- C184 H124 Cl8 Fe4 N36 O32 -","4","0.5","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Lochenie, Charles; Weber, Birgit; Rüffer, Tobias","Bis-meridional Fe<sup>2+</sup> spincrossover complexes of phenyl and pyridyl substituted 2-(pyridin-2-yl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","491","506","10.1039/c7dt02320k","","","1.54184","CuKα","","0.1112","0.0765","","","0.1859","0.2075","","","","","","1.053","","","","has coordinates,has disorder","229569","2020-10-21","18:00:00",""
"7044939","20.6009","0.0006","14.2939","0.0004","24.6015","0.0007","90","","103.049","0.003","90","","7057.3","0.4","270","","270","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H70 B2 Fe N6 -","- C94 H70 B2 Fe N6 -","- C376 H280 B8 Fe4 N24 -","4","1","","Petzold, Holm; Djomgoue, Paul; Hörner, Gerald; Lochenie, Charles; Weber, Birgit; Rüffer, Tobias","Bis-meridional Fe<sup>2+</sup> spincrossover complexes of phenyl and pyridyl substituted 2-(pyridin-2-yl)-1,10-phenanthrolines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","491","506","10.1039/c7dt02320k","","","0.71073","MoKα","","0.0895","0.0595","","","0.1542","0.1729","","","","","","1.052","","","","has coordinates","229569","2020-10-21","18:00:00",""
"7044941","14.291","0.002","13.296","0.002","12.436","0.002","90","","107.673","0.004","90","","2251.5","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cu N5 O3 -","- C26 H21 Cu N5 O3 -","- C104 H84 Cu4 N20 O12 -","4","1","","Mukherjee, Nandini; Podder, Santosh; Mitra, Koushambi; Majumdar, Shamik; Nandi, Dipankar; Chakravarty, Akhil R.","Targeted photodynamic therapy in visible light using BODIPY-appended copper(ii) complexes of a vitamin B<sub>6</sub> Schiff base.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","823","835","10.1039/c7dt03976j","","","0.71073","MoKα","","0.2352","0.1021","","","0.1819","0.2245","","","","","","1.025","","","","has coordinates","230058","2020-10-21","18:00:00",""
"7044942","22.1784","0.0012","13.3509","0.0007","16.1723","0.0009","90","","96.174","0.004","90","","4760.9","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl2 N8 O10 Zn -","- C42 H36 Cl2 N8 O10 Zn -","- C168 H144 Cl8 N32 O40 Zn4 -","4","0.5","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.0906","0.0588","","","0.1343","0.1475","","","","","","1.051","","","","has coordinates","229577","2020-10-21","18:00:00",""
"7044943","22.2863","0.0008","13.1735","0.0006","16.2124","0.0006","90","","97.265","0.003","90","","4721.6","0.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 B2 F8 N8 O2 Zn -","- C42 H36 B2 F8 N8 O2 Zn -","- C168 H144 B8 F32 N32 O8 Zn4 -","4","0.5","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.0607","0.0473","","","0.1129","0.1192","","","","","","1.041","","","","has coordinates","229577","2020-10-21","18:00:00",""
"7044944","13.6068","0.0005","18.0054","0.0005","20.3919","0.0007","90","","96.256","0.003","90","","4966.2","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 F6 N8 O8 Zn -","- C52 H44 F6 N8 O8 Zn -","- C208 H176 F24 N32 O32 Zn4 -","4","1","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.1085","0.0838","","","0.1493","0.1664","","","","","","1.037","","","","has coordinates,has disorder","229577","2020-10-21","18:00:00",""
"7044945","10.6432","0.0003","13.388","0.0004","21.5624","0.0006","90","","91.374","0.002","90","","3071.57","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H66 Cd N8 O12 S2 -","- C64 H66 Cd N8 O12 S2 -","- C128 H132 Cd2 N16 O24 S4 -","2","0.5","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.0692","0.0583","","","0.1458","0.1533","","","","","","1.071","","","","has coordinates,has disorder","229577","2020-10-21","18:00:00",""
"7044946","11.7749","0.0019","12.2678","0.0019","12.174","0.0019","111.157","0.012","93.629","0.013","110.389","0.012","1500.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H54 Cl4 N8 O8 S2 Zn -","- C58 H54 Cl4 N8 O8 S2 Zn -","- C58 H54 Cl4 N8 O8 S2 Zn -","1","0.5","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.0622","0.0518","","","0.1312","0.1386","","","","","","1.035","","","","has coordinates","229577","2020-10-21","18:00:00",""
"7044947","9.2922","0.0009","22.5731","0.0013","13.4673","0.0012","90","","93.281","0.007","90","","2820.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 Cd Cl4 N8 O6 S2 -","- C56 H46 Cd Cl4 N8 O6 S2 -","- C112 H92 Cd2 Cl8 N16 O12 S4 -","2","0.5","","Vasylevskyi, Serhii I.; Regeta, Khrystyna; Ruggi, Albert; Petoud, Stéphane; Piguet, Claude; Fromm, Katharina M.","cis- and trans-9,10-di(1H-imidazol-1-yl)-anthracene based coordination polymers of Zn<sup>II</sup> and Cd<sup>II</sup>: synthesis, crystal structures and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","596","607","10.1039/c7dt03758a","","","0.71073","MoKα","","0.1248","0.0495","","","0.1171","0.1355","","","","","","0.804","","","","has coordinates","229577","2020-10-21","18:00:00",""
"7044948","12.9697","0.0007","14.2366","0.0006","16.8559","0.0008","90","","99.38","0.005","90","","3070.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 N O12 P Ti3 -","- C21 H39 N O12 P Ti3 -","- C84 H156 N4 O48 P4 Ti12 -","4","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","x-ray","0.71073","MoKα","","0.0511","0.0389","","","0.1012","0.1078","","","","","","1.087","","","","has coordinates,has disorder","230065","2020-10-21","18:00:00",""
"7044949","18.9359","0.0005","18.9359","0.0005","49.4964","0.0014","90","","90","","120","","15370.1","0.7","100.02","0.16","100.02","0.16","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C27 H53 O14 P S Ti3 -","- C27 H48 O14 P S Ti3 -","- C324 H576 O168 P12 S12 Ti36 -","12","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","","1.54178","CuKα","","0.1187","0.0968","","","0.2842","0.3004","","","","","","1.08","","","","has coordinates,has disorder","230065","2020-10-21","18:00:00",""
"7044950","19.0415","0.0006","19.0415","0.0006","20.0613","0.0006","90","","90","","120","","6299.3","0.3","100","0.1","100","0.1","","","","","","","","8","P -3","-P 3","147","","","","- C27 H46 Br0.33 Cu0.33 N O13 P Ti3 -","- C27 H53 Br0.333333 Cu0.333333 N O13 P Ti3 -","- C162 H318 Br2 Cu2 N6 O78 P6 Ti18 -","6","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","x-ray","1.54184","CuKα","","0.0937","0.0808","","","0.2314","0.248","","","","","","1.062","","","","has coordinates","230065","2020-10-21","18:00:00",""
"7044951","18.9783","0.0012","18.9783","0.0012","19.9218","0.0009","90","","90","","120","","6214","0.6","100","0.13","100","0.13","","","","","","","","8","P -3","-P 3","147","","","","- C27 H49 Cl0.33 Cu0.33 N O13 P Ti3 -","- C27 H49 Cl0.333333 Cu0.333333 N O13 P Ti3 -","- C162 H294 Cl2 Cu2 N6 O78 P6 Ti18 -","6","1","","Fan, Xi; Narayanam, Nagaraju; Gao, Meiyan; Zhang, Lei; Zhang, Jian","Ligand dependent assembly of trinuclear titanium-oxo units into coordination tetrahedra and capsules.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","663","665","10.1039/c7dt04204c","","x-ray","1.54184","CuKα","","0.1574","0.1342","","","0.3239","0.3378","","","","","","1.041","","","","has coordinates","230065","2020-10-21","18:00:00",""
"7044952","13.237","0.006","21.466","0.01","12.233","0.006","90","","108.518","0.007","90","","3296","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Au Cl I6 N8 -","- C18 H24 Au Cl I6 N8 -","- C72 H96 Au4 Cl4 I24 N32 -","4","0.5","","Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino","A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","935","945","10.1039/c7dt03672h","","","0.71073","MoKα","","0.0964","0.0768","","","0.1906","0.2072","","","","","","0.958","","","","has coordinates","230079","2020-10-21","18:00:00",""
"7044953","12.0405","0.0008","11.2536","0.0008","10.3517","0.0007","90","","104.686","0.007","90","","1356.82","0.17","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H24 Au Br3 I2 N8 -","- C18 H24 Au Br3 I2 N8 -","- C36 H48 Au2 Br6 I4 N16 -","2","0.25","","Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino","A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","935","945","10.1039/c7dt03672h","","","0.7","","","0.0321","0.0321","","","0.0872","0.0873","","","","","","0.999","","","","has coordinates","230079","2020-10-21","18:00:00",""
"7044954","21.3052","0.0016","14.9146","0.0011","27.057","0.002","90","","90","","90","","8597.6","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Au I9 N10 -","- C22 H30 Au I9 N10 -","- C176 H240 Au8 I72 N80 -","8","1","","Baron, Marco; Dall'Anese, Anna; Tubaro, Cristina; Orian, Laura; Di Marco, Valerio; Bogialli, Sara; Graiff, Claudia; Basato, Marino","A square planar gold(iii) bis-(1,1'-dimethyl-3,3'-methylene-diimidazol-2,2'-diylidene) trication as an efficient and selective receptor towards halogen anions: the cooperative effect of AuX and XHC interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","935","945","10.1039/c7dt03672h","","","0.71073","MoKα","","0.1031","0.0501","","","0.1285","0.1555","","","","","","1.058","","","","has coordinates","230079","2020-10-21","18:00:00",""
"7044955","16.0749","0.0001","14.8045","0.0001","19.0391","0.0001","90","","111.435","0.001","90","","4217.55","0.05","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 F6 N2 Ni O P2 -","- C44 H51 F6 N2 Ni O P2 -","- C176 H204 F24 N8 Ni4 O4 P8 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.037","0.0284","","","0.0809","0.083","","","","","","1.089","","","","has coordinates","230072","2020-10-21","18:00:00",""
"7044956","14.479","0.0002","20.421","0.0003","15.564","0.0003","90","","90.553","0.001","90","","4601.68","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H32 B N2 Ni -","- C22 H28 B N2 Ni -","- C176 H224 B8 N16 Ni8 -","8","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.058","0.0418","","","0.1142","0.1252","","","","","","1.074","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044957","12.121","0.0001","13.645","0.0002","24.695","0.0004","90","","102.287","0.001","90","","3990.78","0.09","150","2","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Br F6 N2 Ni O P2 -","- C41 H43 Br F6 N2 Ni O P2 -","- C164 H172 Br4 F24 N8 Ni4 O4 P8 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0553","0.0417","","","0.1042","0.1113","","","","","","1.034","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044958","14.17049","0.00012","20.24524","0.00015","14.83697","0.00015","90","","91.0848","0.0008","90","","4255.74","0.06","100","0.11","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 B2 N4 Ni2 -","- C44 H64 B2 N4 Ni2 -","- C176 H256 B8 N16 Ni8 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","1.54184","CuKα","","0.058","0.0528","","","0.1401","0.1457","","","","","","1.017","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044959","11.427","0.0002","14.7","0.0003","12.866","0.0003","90","","104.368","0.001","90","","2093.59","0.08","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H51 F6 N2 Ni O P2 -","- C44 H51 F6 N2 Ni O P2 -","- C88 H102 F12 N4 Ni2 O2 P4 -","2","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0388","0.0324","","","0.0779","0.0815","","","","","","1.013","","","","has coordinates","230072","2020-10-21","18:00:00",""
"7044960","18.99247","0.00014","11.96944","0.00009","20.99341","0.00016","90","","91.1551","0.0007","90","","4771.45","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H63 N3 Ni O P -","- C56 H63 N3 Ni O P -","- C224 H252 N12 Ni4 O4 P4 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","x-ray","1.54184","CuKα","","0.04","0.0343","","","0.0828","0.086","","","","","","1.027","","","","has coordinates","230072","2020-10-21","18:00:00",""
"7044961","10.4","0.0004","16.7387","0.0006","29.4479","0.0009","92.241","0.003","90.291","0.003","107.737","0.004","4878.2","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C110 H80.2 B2 F40 N4 Ni1.8 -","- C110 H80 B2 F40 N4 Ni1.8 -","- C220 H160 B4 F80 N8 Ni3.6 -","2","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","1.54184","CuKα","","0.1135","0.089","","","0.2431","0.2676","","","","","","1.053","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044962","14.212","0.0004","16.565","0.0004","18.0386","0.0006","90","","108.838","0.003","90","","4019.2","0.2","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 B N3 Ni O P -","- C45 H54 B N3 Ni O P -","- C180 H216 B4 N12 Ni4 O4 P4 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0703","0.0472","","","0.1128","0.1267","","","","","","1.028","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044963","14.308","0.0003","16.491","0.0003","18.85","0.0004","90","","95.145","0.001","90","","4429.8","0.15","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 F6 N2 Ni O2 P2 -","- C45 H51 F6 N2 Ni O2 P2 -","- C180 H204 F24 N8 Ni4 O8 P8 -","4","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0555","0.0435","","","0.107","0.1154","","","","","","1.053","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044964","31.549","0.0003","10.328","0.0001","28.81","0.0003","90","","92.977","0.001","90","","9374.73","0.16","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H36.5 B F20 N2 Ni0.5 -","- C53 H36.5 B F20 N2 Ni0.5 -","- C424 H292 B8 F160 N16 Ni4 -","8","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","","0.71073","MoKα","","0.0852","0.0503","","","0.1086","0.1192","","","","","","1.122","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044965","12.905","0.0004","17.3278","0.0005","25.2732","0.0006","75.082","0.002","84.432","0.002","87.444","0.002","5434.1","0.3","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C116 H108 B Br F24 N4 Ni2 O P2 -","- C116 H108 B Br F24 N4 Ni2 O P2 -","- C232 H216 B2 Br2 F48 N8 Ni4 O2 P4 -","2","1","","Blackaby, William J. M.; Sabater, Sara; Poulten, Rebecca C.; Page, Michael J.; Folli, Andrea; Krewald, Vera; Mahon, Mary F.; Murphy, Damien M.; Richards, Emma; Whittlesey, Michael K.","Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh<sub>3</sub>)Br].","Dalton transactions (Cambridge, England : 2003)","2018","47","3","769","782","10.1039/c7dt04187j","","x-ray","0.71073","MoKα","","0.1297","0.0635","","","0.1396","0.1745","","","","","","1.023","","","","has coordinates,has disorder","230072","2020-10-21","18:00:00",""
"7044966","7.9461","0.0012","9.0703","0.0013","14.198","0.002","77.108","0.002","75.211","0.002","68.67","0.002","911.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N4 O17 Zn2 -","- C35.08 H28.2 N4 O17 Zn2 -","- C35.08 H28.2 N4 O17 Zn2 -","1","0.5","","Rachuri, Yadagiri; Subhagan, Sreevalsa; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Selective and reversible adsorption of cationic dyes by mixed ligand Zn(ii) coordination polymers synthesized by reactant ratio modulation.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","898","908","10.1039/c7dt03667a","","","0.71073","MoKα","","0.0298","0.0289","","","0.0778","0.0784","","","","","","1.071","","","","has coordinates,has disorder","230076","2020-10-21","18:00:00",""
"7044967","10.3241","0.0017","11.0585","0.0018","19.221","0.003","85.079","0.003","83.258","0.003","64.713","0.003","1968.9","0.6","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H96 N12 O33 Zn5 -","- C57 H64 N12 O25 Zn5 -","- C57 H64 N12 O25 Zn5 -","1","0.5","","Rachuri, Yadagiri; Subhagan, Sreevalsa; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi","Selective and reversible adsorption of cationic dyes by mixed ligand Zn(ii) coordination polymers synthesized by reactant ratio modulation.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","898","908","10.1039/c7dt03667a","","","0.71073","MoKα","","0.1104","0.0877","","","0.1998","0.2101","","","","","","1.123","","","","has coordinates","230076","2020-10-21","18:00:00",""
"7044968","9.7654","0.0001","8.6693","0.0001","23.9759","0.0003","90","","101.612","0.001","90","","1988.24","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 I N3 O4 -","- C18 H22 I N3 O4 -","- C72 H88 I4 N12 O16 -","4","1","","Navarro, Miquel; Li, Mo; Bernhard, Stefan; Albrecht, Martin","A mesoionic nitrogen-donor ligand: structure, iridium coordination, and catalytic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","659","662","10.1039/c7dt04555g","","x-ray","0.71073","MoKα","","0.0242","0.0209","","","0.0465","0.0481","","","","","","1.047","","","","has coordinates","230080","2020-10-21","18:00:00",""
"7044969","15.5088","0.0003","13.34471","0.00014","24.9142","0.0005","90","","90","","90","","5156.25","0.15","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Cl Ir N2 O4 -","- C26 H32 Cl Ir N2 O4 -","- C208 H256 Cl8 Ir8 N16 O32 -","8","1","","Navarro, Miquel; Li, Mo; Bernhard, Stefan; Albrecht, Martin","A mesoionic nitrogen-donor ligand: structure, iridium coordination, and catalytic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","659","662","10.1039/c7dt04555g","","x-ray","0.71073","MoKα","","0.063","0.0306","","","0.0441","0.0508","","","","","","1.018","","","","has coordinates","230080","2020-10-21","18:00:00",""
"7044970","11.602","0.0002","13.0554","0.0001","12.1795","0.0002","90","","107.969","0.002","90","","1754.83","0.05","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 Cl4 N8 O20 -","- C66 H84 Cl4 N8 O20 -","- C66 H84 Cl4 N8 O20 -","1","0.25","","Navarro, Miquel; Li, Mo; Bernhard, Stefan; Albrecht, Martin","A mesoionic nitrogen-donor ligand: structure, iridium coordination, and catalytic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","659","662","10.1039/c7dt04555g","","x-ray","0.71073","MoKα","","0.0399","0.0336","","","0.0846","0.091","","","","","","1.058","","","","has coordinates,has disorder","230080","2020-10-21","18:00:00",""
"7044971","17.2654","0.0006","14.0021","0.0005","8.1204","0.0003","90","","94.293","0.002","90","","1957.61","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Mn N8 O4 -","- C18 H20 Mn N8 O4 -","- C72 H80 Mn4 N32 O16 -","4","0.5","","Lim, Kwang Soo; Song, Jeong Hwa; Kang, Dong Won; Kang, Minjung; Eom, Sunhwi; Koh, Eui Kwan; Hong, Chang Seop","Reversible crystal-to-amorphous structural transformations and magnetic variations in single end-on azide-bridged M<sup>II</sup> (M = Mn, Ni) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","845","851","10.1039/c7dt03886k","","","0.71073","MoKα","","0.0787","0.0507","","","0.0967","0.1068","","","","","","1.04","","","","has coordinates","230062","2020-10-21","18:00:00",""
"7044972","17.0182","0.0004","14.1255","0.0003","7.8942","0.0002","90","","94.031","0.002","90","","1893","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N8 Ni O4 -","- C18 H20 N8 Ni O4 -","- C72 H80 N32 Ni4 O16 -","4","0.5","","Lim, Kwang Soo; Song, Jeong Hwa; Kang, Dong Won; Kang, Minjung; Eom, Sunhwi; Koh, Eui Kwan; Hong, Chang Seop","Reversible crystal-to-amorphous structural transformations and magnetic variations in single end-on azide-bridged M<sup>II</sup> (M = Mn, Ni) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","845","851","10.1039/c7dt03886k","","","0.71073","MoKα","","0.049","0.0397","","","0.1019","0.1079","","","","","","1.08","","","","has coordinates","230062","2020-10-21","18:00:00",""
"7044975","9.6425","0.0004","16.8872","0.0008","15.5921","0.0007","90","","110.998","0.003","90","","2370.33","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 Eu N2 O7 -","- C27 H16 Eu N2 O7 -","- C108 H64 Eu4 N8 O28 -","4","1","","Luo, Li-Lin; Qu, Xiang-Long; Li, Zheng; Li, Xia; Sun, Hao-Ling","Isostructural lanthanide-based metal-organic frameworks: structure, photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","925","934","10.1039/c7dt04024e","","","0.71073","MoKα","","0.0506","0.0318","","","0.0586","0.0642","","","","","","1.031","","","","has coordinates","230071","2020-10-21","18:00:00",""
"7044976","9.66","0.0019","16.88","0.003","15.12","0.003","90","","105.77","0.03","90","","2372.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N2 O7 Sm -","- C27 H16 N2 O7 Sm -","- C108 H64 N8 O28 Sm4 -","4","1","","Luo, Li-Lin; Qu, Xiang-Long; Li, Zheng; Li, Xia; Sun, Hao-Ling","Isostructural lanthanide-based metal-organic frameworks: structure, photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","925","934","10.1039/c7dt04024e","","","0.71073","MoKα","","0.0369","0.026","","","0.0598","0.0638","","","","","","1.046","","","","has coordinates","230071","2020-10-21","18:00:00",""
"7044977","22.5075","0.0014","7.4564","0.0005","12.699","0.0008","90","","98.339","0.002","90","","2108.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H6 K O11 Tb -","- C4 H6 K O11 Tb -","- C32 H48 K8 O88 Tb8 -","8","1","","Luo, Li-Lin; Qu, Xiang-Long; Li, Zheng; Li, Xia; Sun, Hao-Ling","Isostructural lanthanide-based metal-organic frameworks: structure, photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","925","934","10.1039/c7dt04024e","","","0.71073","MoKα","","0.0804","0.0656","","","0.1491","0.158","","","","","","1.083","","","","has coordinates","230071","2020-10-21","18:00:00",""
"7044978","9.6274","0.0004","16.8937","0.0007","15.1022","0.0006","90","","105.651","0.001","90","","2365.19","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Gd N2 O7 -","- C27 H16 Gd N2 O7 -","- C108 H64 Gd4 N8 O28 -","4","1","","Luo, Li-Lin; Qu, Xiang-Long; Li, Zheng; Li, Xia; Sun, Hao-Ling","Isostructural lanthanide-based metal-organic frameworks: structure, photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","925","934","10.1039/c7dt04024e","","","0.71073","MoKα","","0.0557","0.0352","","","0.0703","0.0783","","","","","","1.028","","","","has coordinates","230071","2020-10-21","18:00:00",""
"7044979","9.5712","0.0005","16.8671","0.0009","15.0395","0.0008","90","","105.571","0.0016","90","","2338.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Dy N2 O7 -","- C27 H16 Dy N2 O7 -","- C108 H64 Dy4 N8 O28 -","4","1","","Luo, Li-Lin; Qu, Xiang-Long; Li, Zheng; Li, Xia; Sun, Hao-Ling","Isostructural lanthanide-based metal-organic frameworks: structure, photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","925","934","10.1039/c7dt04024e","","","0.71073","MoKα","","0.0772","0.0461","","","0.1173","0.1359","","","","","","0.994","","","","has coordinates","230071","2020-10-21","18:00:00",""
"7044980","7.5504","0.0009","14.2261","0.0019","11.0598","0.001","90","","97.837","0.004","90","","1176.9","0.2","225","","225","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(THF)4Mg(OCP)2]","","- C18 H32 Mg O6 P2 -","- C18 H32 Mg O6 P2 -","- C36 H64 Mg2 O12 P4 -","2","0.5","","Gilliard, Robert J.; Heift, Dominikus; Benkő, Zoltán; Keiser, Jerod M.; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","An isolable magnesium diphosphaethynolate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","666","669","10.1039/c7dt04539e","","x-ray","0.71073","MoKα","","0.0789","0.0452","","","0.1085","0.1261","","","","","","1.029","","","","has coordinates,has disorder","230057","2020-10-21","18:00:00",""
"7044981","9.4637","0.0012","10.0585","0.0013","27.632","0.004","90","","90","","90","","2630.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Na(OCP)(dibenzo-18-crown-6)]","","- C25 H32 Na O8 P -","- C25 H32 Na O8 P -","- C100 H128 Na4 O32 P4 -","4","1","","Gilliard, Robert J.; Heift, Dominikus; Benkő, Zoltán; Keiser, Jerod M.; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","An isolable magnesium diphosphaethynolate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","666","669","10.1039/c7dt04539e","","","0.71073","MoKα","","0.0726","0.0343","","","0.0456","0.051","","","","","","0.813","","","","has coordinates","230057","2020-10-21","18:00:00",""
"7044982","25.191","0.004","14.292","0.003","27.482","0.005","90","","101.401","0.003","90","","9699","3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C92 H116 Gd4 O32 -","- C92 H108 Gd4 O32 -","- C368 H432 Gd16 O128 -","4","1","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.043","0.0366","","","0.0887","0.0923","","","","","","1.04","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044983","25.118","0.003","14.185","0.0014","27.365","0.003","90","","101.334","0.002","90","","9560","1.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C92 H116 Ho4 O32 -","- C92 H108 Ho4 O32 -","- C368 H432 Ho16 O128 -","4","1","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.0784","0.0589","","","0.1107","0.1181","","","","","","1.11","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044984","25.136","0.005","14.19","0.003","27.383","0.005","90","","101.308","0.003","90","","9577","3","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C92 H116 Dy4 O32 -","- C92 H108 Dy4 O32 -","- C368 H432 Dy16 O128 -","4","1","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.0398","0.036","","","0.0849","0.0869","","","","","","1.072","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044985","13.8538","0.0014","13.8879","0.0014","15.0749","0.0015","64.648","0.001","64.947","0.001","85.963","0.002","2352.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H106 Ho2 N4 O26 -","- C98 H106 Ho2 N4 O26 -","- C98 H106 Ho2 N4 O26 -","1","0.5","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.0274","0.0266","","","0.0679","0.0684","","","","","","1.045","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044986","13.8683","0.0006","13.9391","0.0006","15.1576","0.0006","64.652","0.002","64.498","0.002","85.951","0.002","2366.7","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H106 Gd2 N4 O26 -","- C98 H106 Gd2 N4 O26 -","- C98 H106 Gd2 N4 O26 -","1","0.5","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.0206","0.0182","","","0.0448","0.0457","","","","","","1.051","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044987","13.8592","0.0012","13.9064","0.0012","15.0798","0.0013","64.692","0.001","64.85","0.001","85.947","0.001","2356.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H106 Dy2 N4 O26 -","- C98 H106 Dy2 N4 O26 -","- C98 H106 Dy2 N4 O26 -","1","0.5","","Rasamsetty, Amaleswari; Das, Chinmoy; Sañudo, E Carolina; Shanmugam, Maheswaran; Baskar, Viswanathan","Effect of coordination geometry on the magnetic properties of a series of Ln<sub>2</sub> and Ln<sub>4</sub> hydroxo clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1726","1738","10.1039/c7dt00172j","","","0.71073","MoKα","","0.0323","0.0303","","","0.0741","0.0752","","","","","","1.047","","","","has coordinates","229460","2020-10-21","18:00:00",""
"7044988","14.9241","0.0019","15.1194","0.0019","13.5614","0.0017","90","","110.093","0.002","90","","2873.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Fe N3 O2 S2 -","- C32 H33 Fe N3 O2 S2 -","- C128 H132 Fe4 N12 O8 S8 -","4","1","","Dong, Junyang; Hu, Jianfeng; Baigude, Huricha; Zhang, Hao","A novel ferrocenyl-naphthalimide as a multichannel probe for the detection of Cu(ii) and Hg(ii) in aqueous media and living cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","314","322","10.1039/c7dt03982d","","","0.71073","MoKα","","0.1145","0.0674","","","0.1622","0.1928","","","","","","1.027","","","","has coordinates","229561","2020-10-21","18:00:00",""
"7044989","13.7663","0.0005","14.165","0.0004","35.8694","0.0012","90","","90","","90","","6994.5","0.4","101","2","101.6","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N3 P2 Re -","- C36 H52 N3 P2 Re -","- C288 H416 N24 P16 Re8 -","8","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","High-valent nitridorhenium(v) complexes containing PNP ligands: implications of ligand flexibility.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","758","768","10.1039/c7dt03615a","","","0.71073","MoKα","","0.0508","0.0372","","","0.0648","0.0686","","","","","","1.114","","","","has coordinates","230061","2020-10-21","18:00:00",""
"7044990","11.3267","0.0004","10.4045","0.0003","12.0968","0.0004","90","","96.99","0.001","90","","1415","0.08","100","","100.02","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H43 N2 O P2 Re -","- C28 H43 N2 O P2 Re -","- C56 H86 N4 O2 P4 Re2 -","2","0.5","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","High-valent nitridorhenium(v) complexes containing PNP ligands: implications of ligand flexibility.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","758","768","10.1039/c7dt03615a","","","0.71073","MoKα","","0.038","0.0336","","","0.0773","0.0792","","","","","","1.151","","","","has coordinates,has disorder","230061","2020-10-21","18:00:00",""
"7044991","11.3035","0.0003","9.4544","0.0003","12.6328","0.0004","90","","97.635","0.002","90","","1338.07","0.07","100","2","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H43 N2 P2 Re -","- C27 H43 N2 P2 Re -","- C54 H86 N4 P4 Re2 -","2","0.5","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","High-valent nitridorhenium(v) complexes containing PNP ligands: implications of ligand flexibility.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","758","768","10.1039/c7dt03615a","","x-ray","0.71073","MoKα","","0.0447","0.0435","","","0.1004","0.1008","","","","","","1.448","","","","has coordinates,has disorder","230061","2020-10-21","18:00:00",""
"7044992","10.4353","0.00014","10.5208","0.00014","12.1244","0.00014","97.1732","0.001","93.3651","0.001","97.2483","0.0011","1306.38","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","(Eind)BrGe=GeBe(Eind)","dibromodigermene","","- C56 H90 Br2 Ge2 -","- C56 H90 Br2 Ge2 -","- C56 H90 Br2 Ge2 -","1","0.5","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.0276","0.0234","","","0.0616","0.0631","","","","","","1.053","","","","has coordinates","230073","2020-10-21","18:00:00",""
"7044993","11.288","0.0009","12.8136","0.0007","18.9434","0.0017","104.562","0.004","96.164","0.005","107.936","0.005","2471.7","0.3","103","","103","","","","","","","","","7","P -1","-P 1","2","[K(crypt-222)][(Eind)GeBr2]","Eind-germylenoid","","- C46 H81 Br2 Ge K N2 O6 -","- C46 H81 Br2 Ge K N2 O6 -","- C92 H162 Br4 Ge2 K2 N4 O12 -","2","1","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71075","MoKα","","0.0697","0.0506","","","0.1184","0.1323","","","","","","1.097","","","","has coordinates,has disorder","230073","2020-10-21","18:00:00",""
"7044994","19.486","0.005","19.226","0.005","17.324","0.004","90","","90","","90","","6490","3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","(Eind)Li(THF)(LiBr)]2","(Eind)Li LiBr complex","","- C64 H106 Br2 Li4 O2 -","- C64 H106 Br2 Li4 O2 -","- C256 H424 Br8 Li16 O8 -","4","0.5","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.1065","0.0762","","","0.1532","0.1696","","","","","","1.141","","","","has coordinates,has disorder","230073","2020-10-21","18:00:00",""
"7044995","10.4792","0.0003","10.5003","0.0002","12.0496","0.0003","97.829","0.002","93.325","0.002","97.83","0.002","1297.3","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","(Eind)ClGe=GeCl(Eind)","dichlorodigermene","","- C56 H90 Cl2 Ge2 -","- C56 H90 Cl2 Ge2 -","- C56 H90 Cl2 Ge2 -","1","0.5","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.0515","0.0428","","","0.098","0.1003","","","","","","1.158","","","","has coordinates,has disorder","230073","2020-10-21","18:00:00",""
"7044996","11.8021","0.0002","12.4235","0.0003","20.4661","0.0004","79.322","0.001","78.119","0.001","85.935","0.001","2884","0.1","103","","103","","","","","","","","","8","P -1","-P 1","2","[K(crypt-222)][(Tbb)GeBr2]","Tbb-germylemoid","","- C45 H88 Br2 Ge K N2 O6 Si4 -","- C45 H88 Br2 Ge K N2 O6 Si4 -","- C90 H176 Br4 Ge2 K2 N4 O12 Si8 -","2","1","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.0943","0.0872","","","0.2161","0.22","","","","","","1.2","","","","has coordinates","230073","2020-10-21","18:00:00",""
"7044997","10.6306","0.0009","26.7797","0.0016","18.074","0.0014","90","","101.352","0.008","90","","5044.7","0.7","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","(Eind)2GeBr2","dibromogermane","","- C56 H90 Br2 Ge -","- C56 H90 Br2 Ge -","- C224 H360 Br8 Ge4 -","4","1","","Hayakawa, Naoki; Sugahara, Tomohiro; Numata, Yasuyuki; Kawaai, Hotaka; Yamatani, Kenta; Nishimura, Shogo; Goda, Shun; Suzuki, Yuko; Tanikawa, Tomoharu; Nakai, Hidetaka; Hashizume, Daisuke; Sasamori, Takahiro; Tokitoh, Norihiro; Matsuo, Tsukasa","1,2-Dihalodigermenes bearing bulky Eind groups: synthesis, characterization, and conversion to halogermylenoids.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","814","822","10.1039/c7dt03819d","","","0.71073","MoKα","","0.1383","0.1166","","","0.2992","0.3219","","","","","","1.026","","","","has coordinates","230073","2020-10-21","18:00:00",""
"7044998","13.8933","0.0012","33.825","0.003","30.729","0.003","90","","91.389","0.001","90","","14437","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H86 N18 Ni3 O67 Sb2 W18 -","- C108 H86 N18 Ni3 O67 Sb2 W18 -","- C432 H344 N72 Ni12 O268 Sb8 W72 -","4","1","","Shi, Lin; Gao, Xiao-Mei; Liu, Ting-Yu; Huang, Xiao-Hui; Gong, Zhi-Hui; Chen, Yi-Ping; Sun, Yan-Qiong","Two novel Dawson-like tungstoantimonates with difunctional photocatalytic and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1347","1354","10.1039/c7dt03708b","","","0.71","MoKα","","0.103","0.0679","","","0.1812","0.2062","","","","","","1.033","","","","has coordinates,has disorder","229526","2020-10-21","18:00:00",""
"7044999","12.8","0.003","13.81","0.003","15.7","0.003","97.5","0.03","96.85","0.03","92.83","0.03","2725.9","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H48 Cu5 N10 O69 Sb W18 -","- C60 H48 Cu5 N10 O69 Sb W18 -","- C60 H48 Cu5 N10 O69 Sb W18 -","1","0.5","","Shi, Lin; Gao, Xiao-Mei; Liu, Ting-Yu; Huang, Xiao-Hui; Gong, Zhi-Hui; Chen, Yi-Ping; Sun, Yan-Qiong","Two novel Dawson-like tungstoantimonates with difunctional photocatalytic and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1347","1354","10.1039/c7dt03708b","","","0.71073","MoKα","","0.1129","0.1069","","","0.2794","0.2867","","","","","","1.1","","","","has coordinates","229526","2020-10-21","18:00:00",""
"7045000","13.294","0.0011","14.7257","0.0012","15.9249","0.0013","64.196","0.002","80.02","0.002","78.737","0.003","2738.8","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H54 Cu Ga N4 O3 P2 S6 -","- C54 H54 Cu Ga N4 O3 P2 S6 -","- C108 H108 Cu2 Ga2 N8 O6 P4 S12 -","2","1","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Satra, Jit; Adhikary, Bibhutosh","Single source precursor driven phase selective synthesis of Au-CuGaS<sub>2</sub> heteronanostructures: an observation of plasmon enhanced photocurrent efficiency.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1071","1081","10.1039/c7dt04169a","","","0.71073","MoKα","","0.0695","0.0429","","","0.0876","0.1002","","","","","","1.008","","","","has coordinates","229528","2020-10-21","18:00:00",""
"7045001","12.605","0.0017","10.5038","0.0015","17.814","0.002","90","","98.654","0.003","90","","2331.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Ga N3 S6 -","- C18 H24 Ga N3 S6 -","- C72 H96 Ga4 N12 S24 -","4","1","","Ghosh, Abhisek Brata; Saha, Namrata; Sarkar, Arpita; Dutta, Amit Kumar; Satra, Jit; Adhikary, Bibhutosh","Single source precursor driven phase selective synthesis of Au-CuGaS<sub>2</sub> heteronanostructures: an observation of plasmon enhanced photocurrent efficiency.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1071","1081","10.1039/c7dt04169a","","","0.71073","MoKα","","0.1189","0.0779","","","0.1318","0.1454","","","","","","1.092","","","","has coordinates","229528","2020-10-21","18:00:00",""
"7045002","12.3031","0.0002","19.7158","0.0003","24.8166","0.0004","90","","90","","90","","6019.65","0.17","123","0.1","123","0.1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C22.5 H29 Cl2 Cu2 Fe N2 P5 -","- C22.5 H29 Cl2 Cu2 Fe N2 P5 -","- C180 H232 Cl16 Cu16 Fe8 N16 P40 -","8","1","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Scheer, M.","Neutral two-dimensional organometallic-organic hybrid polymers based on pentaphosphaferrocene, bipyridyl linkers and CuCl.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1014","1017","10.1039/c7dt04286h","","","1.54178","CuKα","","0.0344","0.0287","","","0.0694","0.0728","","","","","","1.026","","","","has coordinates,has disorder","229522","2020-10-21","18:00:00",""
"7045003","10.6499","0.0002","12.1659","0.0002","17.0371","0.0002","90","","105.903","0.002","90","","2122.94","0.06","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Cu2 Fe2 N2 P10 -","- C32 H40 Cl2 Cu2 Fe2 N2 P10 -","- C64 H80 Cl4 Cu4 Fe4 N4 P20 -","2","0.5","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Scheer, M.","Neutral two-dimensional organometallic-organic hybrid polymers based on pentaphosphaferrocene, bipyridyl linkers and CuCl.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1014","1017","10.1039/c7dt04286h","","","1.54178","CuKα","","0.0352","0.031","","","0.0738","0.0747","","","","","","0.967","","","","has coordinates","229522","2020-10-21","18:00:00",""
"7045004","14.4625","0.0002","12.286","0.0002","17.123","0.0003","90","","100.629","0.001","90","","2990.32","0.08","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl4 Cu2 Fe N2 P5 -","- C21 H25 Cl4 Cu2 Fe N2 P5 -","- C84 H100 Cl16 Cu8 Fe4 N8 P20 -","4","1","","Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Scheer, M.","Neutral two-dimensional organometallic-organic hybrid polymers based on pentaphosphaferrocene, bipyridyl linkers and CuCl.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1014","1017","10.1039/c7dt04286h","","x-ray","1.54178","CuKα","","0.0349","0.0297","","","0.0814","0.0834","","","","","","1.046","","","","has coordinates","229522","2020-10-21","18:00:00",""
"7045005","9.6885","0.0003","14.9921","0.0006","15.9119","0.0006","70.604","0.003","84.413","0.003","81.472","0.003","2153.07","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H69 Er O3 -","- C45 H69 Er O3 -","- C90 H138 Er2 O6 -","2","1","","Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro","Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","302","305","10.1039/c7dt04053a","","","0.71073","MoKα","","0.0952","0.0573","","","0.1161","0.1291","","","","","","1.086","","","","has coordinates","229578","2020-10-21","18:00:00",""
"7045006","16.3386","0.0004","16.3386","0.0004","8.6228","0.0003","90","","90","","120","","1993.47","0.1","163","2","163","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C21 H57 Er0.05 Si6 Y0.95 -","- C21 H57 Er0.052 Si6 Y0.982 -","- C42 H114 Er0.104 Si12 Y1.964 -","2","0.333333","","Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro","Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","302","305","10.1039/c7dt04053a","","","0.71073","MoKα","","0.04","0.0338","","","0.0763","0.0786","","","","","","1.054","","","","has coordinates,has disorder","229578","2020-10-21","18:00:00",""
"7045007","16.2788","0.0003","16.2788","0.0003","8.5882","0.0002","90","","90","","120","","1970.96","0.07","110","2","110","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H57 Er Si6 -","- C21 H57 Er Si6 -","- C42 H114 Er2 Si12 -","2","0.333333","","Zhang, Haitao; Nakanishi, Ryo; Katoh, Keiichi; Breedlove, Brian K.; Kitagawa, Yasutaka; Yamashita, Masahiro","Low coordinated mononuclear erbium(iii) single-molecule magnets with C<sub>3v</sub> symmetry: a method for altering single-molecule magnet properties by incorporating hard and soft donors.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","302","305","10.1039/c7dt04053a","","","0.71073","MoKα","","0.0247","0.0205","","","0.0434","0.0444","","","","","","1.043","","","","has coordinates","229578","2020-10-21","18:00:00",""
"7045008","18.2544","0.0014","20.0328","0.0011","16.9685","0.0009","90","","90","","90","","6205.2","0.7","240","2","240.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C45 H84 Co Cr Fe O19 -","- C44.5 H81 Co0.9999 Cr0.9999 Fe0.9999 O19 -","- C178 H324 Co3.9996 Cr3.9996 Fe3.9996 O76 -","4","0.25","","Abdulwahab, Khadijat O.; Malik, Mohammad A.; O'Brien, Paul; Vitorica-Yrezabal, Iñigo J; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.","The synthesis of a monodisperse quaternary ferrite (FeCoCrO<sub>4</sub>) from the hot injection thermolysis of the single source precursor [CrCoFeO(O<sub>2</sub>C<sup>t</sup>Bu)<sub>6</sub>(HO<sub>2</sub>C<sup>t</sup>Bu)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","2","376","381","10.1039/c7dt03302h","","x-ray","0.71073","MoKα","","0.0928","0.0676","","","0.1943","0.2181","","","","","","1.054","","","","has coordinates,has disorder","229567","2020-10-21","18:00:00",""
"7045017","13.8045","0.0005","12.9067","0.0005","15.2447","0.0006","90","","104.364","0.0008","90","","2631.25","0.17","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Co(BMPC)","","- C22 H34 Cl4 Co2 N6 -","- C22 H34 Cl4 Co2 N6 -","- C88 H136 Cl16 Co8 N24 -","4","1","","Tsitovich, Pavel B.; Tittiris, Timothy Y.; Cox, Jordan M.; Benedict, Jason B.; Morrow, Janet R.","Fe(ii) and Co(ii) N-methylated CYCLEN complexes as paraSHIFT agents with large temperature dependent shifts.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","916","924","10.1039/c7dt03812g","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.0228","","","0.0593","0.0617","","","","","","1.041","","","","has coordinates","230066","2020-10-21","18:00:00",""
"7045020","9.9098","0.0014","15.519","0.002","16.211","0.002","90","","94.695","0.015","90","","2484.7","0.6","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Gd N4 Ni O16 -","- C18 H19 Gd N4 Ni O16 -","- C72 H76 Gd4 N16 Ni4 O64 -","4","1","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0195","0.0183","","","0.0437","0.0442","","","","","","1.131","","","","has coordinates","229534","2020-10-21","18:00:00",""
"7045021","9.3439","0.0005","18.1612","0.0007","14.3985","0.0007","90","","106.594","0.006","90","","2341.6","0.2","130","2","130","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Gd N3 Ni O17 -","- C16 H18 Gd N3 Ni O17 -","- C64 H72 Gd4 N12 Ni4 O68 -","4","1","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0279","0.0208","","","0.0469","0.0492","","","","","","1.113","","","","has coordinates","229534","2020-10-21","18:00:00",""
"7045022","9.5216","0.0019","16.757","0.003","19.565","0.004","90","","93.34","0.03","90","","3116.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N3 Ni O17 Tb -","- C22 H30 N3 Ni O17 Tb -","- C88 H120 N12 Ni4 O68 Tb4 -","4","1","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0598","0.0349","","","0.045","0.0481","","","","","","1.009","","","","has coordinates","229534","2020-10-21","18:00:00",""
"7045023","10.7627","0.0005","11.1417","0.0005","12.7244","0.0006","73.703","0.002","66.381","0.002","64.462","0.002","1250.65","0.1","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H37 Gd2 N4 Ni2 O27 -","- C36 H37 Gd2 N4 Ni2 O27 -","- C36 H37 Gd2 N4 Ni2 O27 -","1","0.5","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0671","0.0505","","","0.139","0.173","","","","","","1.188","","","","has coordinates,has disorder","229534","2020-10-21","18:00:00",""
"7045024","9.4537","0.0006","18.3586","0.0014","14.597","0.0012","90","","106.503","0.006","90","","2429","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Ce N3 Ni O17 -","- C16 H18 Ce N3 Ni O17 -","- C64 H72 Ce4 N12 Ni4 O68 -","4","1","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0375","0.0209","","","0.0478","0.0577","","","","","","1.129","","","","has coordinates","229534","2020-10-21","18:00:00",""
"7045025","11.1842","0.0011","15.6136","0.0013","16.5063","0.0014","90","","90.277","0.011","90","","2882.4","0.4","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N2 Ni O16 Tb -","- C25 H25 N2 Ni O16 Tb -","- C100 H100 N8 Ni4 O64 Tb4 -","4","1","","Costes, Jean-Pierre; Dahan, Françoise; Vendier, Laure; Shova, Sergiu; Lorusso, Giulia; Evangelisti, Marco","Ni<sup>II</sup>-Ln<sup>III</sup> complexes with o-vanillin as the main ligand: syntheses, structures, magnetic and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1106","1116","10.1039/c7dt04293k","","","0.71073","MoKα","","0.0447","0.0316","","","0.0623","0.0673","","","","","","0.934","","","","has coordinates","229534","2020-10-21","18:00:00",""
"7045026","7.5832","0.0001","20.8464","0.0003","12.6521","0.0002","90","","94.809","0.001","90","","1993.03","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B N -","- C26 H22 B N -","- C104 H88 B4 N4 -","4","1","","Morgan, Matthew M.; Rautiainen, J. Mikko; Piers, Warren E.; Tuononen, Heikki M.; Gendy, Chris","Divergent reactivity of nucleophilic 1-bora-7a-azaindenide anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","734","741","10.1039/c7dt04350c","","","1.54178","CuKα","","0.0467","0.0419","","","0.1125","0.1172","","","","","","1.033","","","","has coordinates","230075","2020-10-21","18:00:00",""
"7045027","10.5571","0.0001","17.9054","0.0002","22.7508","0.0003","90","","102.304","0.001","90","","4201.78","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 B K N3 O8 -","- C44 H55 B K N3 O8 -","- C176 H220 B4 K4 N12 O32 -","4","1","","Morgan, Matthew M.; Rautiainen, J. Mikko; Piers, Warren E.; Tuononen, Heikki M.; Gendy, Chris","Divergent reactivity of nucleophilic 1-bora-7a-azaindenide anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","734","741","10.1039/c7dt04350c","","","1.54178","CuKα","","0.0781","0.0585","","","0.1496","0.1664","","","","","","1.006","","","","has coordinates","230075","2020-10-21","18:00:00",""
"7045028","12.0554","0.0009","14.956","0.0011","36.898","0.003","90","","90","","90","","6652.7","0.9","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H68 N8 O19 Zn3 -","- C38 H26 N2 O13 Zn3 -","- C152 H104 N8 O52 Zn12 -","4","1","","Meng, Xing; Wei, Mei-Jie; Wang, Hai-Ning; Zang, Hong-Ying; Zhou, Zi-Yan","Multifunctional luminescent Zn(ii)-based metal-organic framework for high proton-conductivity and detection of Cr<sup>3+</sup> ions in the presence of mixed metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1383","1387","10.1039/c7dt03932h","","","0.71073","MoKα","","0.0578","0.0488","","","0.1322","0.1391","","","","","","1.033","","","","has coordinates,has disorder","229454","2020-10-21","18:00:00",""
"7045029","8.0151","0.0007","9.9646","0.001","16.2762","0.0016","90","","102.854","0.004","90","","1267.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H27 Cl3 N5 O6 Pd -","- C20 H27 Cl3 N5 O5.624 Pd -","- C40 H54 Cl6 N10 O11.248 Pd2 -","2","0.5","","Tang, Fengzhi; Park, Sungho V.; Rath, Nigam P.; Mirica, Liviu M.","Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1151","1158","10.1039/c7dt04366j","","","0.71073","MoKα","","0.0349","0.0269","","","0.0607","0.0656","","","","","","1.044","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7045030","12.1464","0.0006","15.0961","0.0007","13.815","0.0007","90","","114.078","0.002","90","","2312.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Cl2 N4 O6 Pd -","- C19 H27 Cl2 N4 O6 Pd -","- C76 H108 Cl8 N16 O24 Pd4 -","4","1","","Tang, Fengzhi; Park, Sungho V.; Rath, Nigam P.; Mirica, Liviu M.","Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1151","1158","10.1039/c7dt04366j","","","0.71073","MoKα","","0.0522","0.042","","","0.0872","0.0913","","","","","","1.191","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7045031","12.0665","0.0017","11.2092","0.0017","14.86","0.002","90","","100.331","0.006","90","","1977.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N4 O4 Pd -","- C16 H20 Cl3 N4 O4 Pd -","- C64 H80 Cl12 N16 O16 Pd4 -","4","1","","Tang, Fengzhi; Park, Sungho V.; Rath, Nigam P.; Mirica, Liviu M.","Electronic versus steric effects of pyridinophane ligands on Pd(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1151","1158","10.1039/c7dt04366j","","","0.71073","MoKα","","0.0959","0.0791","","","0.2156","0.2222","","","","","","1.191","","","","has coordinates","229535","2020-10-21","18:00:00",""
"7045032","8.3136","0.0003","11.9294","0.0003","13.9717","0.0004","112.525","0.002","99.453","0.002","90.041","0.002","1259.49","0.07","130.05","0.1","130.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N7 O P -","- C27 H30 N7 O P -","- C54 H60 N14 O2 P2 -","2","1","","Hutchinson, Daniel John; Clauss, Reike; Sárosi, Menyhárt-Botond; Hey-Hawkins, Evamarie","Supramolecular self-assembly of heterobimetallic complexes: a new N,P-based, selective heteroditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1053","1061","10.1039/c7dt04449f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0961","0.0988","","","","","","1.037","","","","has coordinates","229532","2020-10-21","18:00:00",""
"7045033","20.0495","0.0004","20.173","0.0004","17.8536","0.0004","90","","103.526","0.002","90","","7020.8","0.3","130.05","0.1","130.05","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 F6 N7 O7 P S2 Zn -","- C29 H30 F6 N7 O7 P S2 Zn -","- C232 H240 F48 N56 O56 P8 S16 Zn8 -","8","1","","Hutchinson, Daniel John; Clauss, Reike; Sárosi, Menyhárt-Botond; Hey-Hawkins, Evamarie","Supramolecular self-assembly of heterobimetallic complexes: a new N,P-based, selective heteroditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1053","1061","10.1039/c7dt04449f","","","0.71073","MoKα","","0.0585","0.0399","","","0.0942","0.1089","","","","","","1.065","","","","has coordinates","229532","2020-10-21","18:00:00",""
"7045034","14.9279","0.0005","14.9701","0.0005","21.8728","0.0008","90","","94.602","0.004","90","","4872.2","0.3","130","0.14","130","0.14","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Cl3 N8 O3 P Pd Zn -","- C35 H41 Cl3 N8 O3 P Pd Zn -","- C140 H164 Cl12 N32 O12 P4 Pd4 Zn4 -","4","1","","Hutchinson, Daniel John; Clauss, Reike; Sárosi, Menyhárt-Botond; Hey-Hawkins, Evamarie","Supramolecular self-assembly of heterobimetallic complexes: a new N,P-based, selective heteroditopic ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1053","1061","10.1039/c7dt04449f","","","0.71073","MoKα","","0.0617","0.0481","","","0.1287","0.1352","","","","","","1.029","","","","has coordinates","229532","2020-10-21","18:00:00",""
"7045035","8.4486","0.0005","10.2104","0.0007","12.8436","0.0009","96.875","0.007","98.442","0.007","101.045","0.007","1063.09","0.13","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 Co N7 O6 -","- C21 H20 Co N7 O6 -","- C42 H40 Co2 N14 O12 -","2","1","","Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J.","Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","859","867","10.1039/c7dt04335j","","","1.54178","CuKα","","0.1112","0.0934","","","0.2337","0.2626","","","","","","1.054","","","","has coordinates","230055","2020-10-21","18:00:00",""
"7045036","11.811","0.0007","9.2017","0.0005","17.5762","0.0009","90","","90","","90","","1910.2","0.18","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 Co N6 O2 -","- C20 H16 Co N6 O2 -","- C80 H64 Co4 N24 O8 -","4","0.5","","Sertphon, Darunee; Murray, Keith S.; Phonsri, Wasinee; Jover, Jesús; Ruiz, Eliseo; Telfer, Shane G.; Alkaş, Adil; Harding, Phimphaka; Harding, David J.","Slow relaxation of magnetization in a bis-mer-tridentate octahedral Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","859","867","10.1039/c7dt04335j","","","0.71073","MoKα","","0.0662","0.0414","","","0.0926","0.1058","","","","","","1.041","","","","has coordinates","230055","2020-10-21","18:00:00",""
"7045037","15.2602","0.001","11.3904","0.0006","15.6393","0.0012","90","","112.919","0.008","90","","2503.8","0.3","98","","98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H46 B Co N P2 -","- C22 H46 B Co N P2 -","- C88 H184 B4 Co4 N4 P8 -","4","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Preparation and reactivity of a square-planar PNP cobalt(ii)-hydrido complex: isolation of the first {Co-NO}<sup>8</sup>-hydride.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1435","1441","10.1039/c7dt04339b","","x-ray","0.71073","MoKα","","0.0909","0.0887","","","0.1679","0.169","","","","","","1.1","","","","has coordinates,has disorder","229449","2020-10-21","18:00:00",""
"7045038","7.7482","0.0003","14.9473","0.0008","10.7812","0.0006","90","","97.987","0.004","90","","1236.51","0.11","98","","98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H42 Co N2 O P2 -","- C22 H42 Co N2 O P2 -","- C44 H84 Co2 N4 O2 P4 -","2","1","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Preparation and reactivity of a square-planar PNP cobalt(ii)-hydrido complex: isolation of the first {Co-NO}<sup>8</sup>-hydride.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1435","1441","10.1039/c7dt04339b","","x-ray","0.71073","MoKα","","0.0347","0.034","","","0.0782","0.0785","","","","","","1.094","","","","has coordinates","229449","2020-10-21","18:00:00",""
"7045039","10.6498","0.0004","15.2862","0.0005","15.6734","0.0006","90","","97.796","0.004","90","","2527.97","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H43 Co N O2 P2 -","- C23 H43 Co N O2 P2 -","- C92 H172 Co4 N4 O8 P8 -","4","2","","Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Preparation and reactivity of a square-planar PNP cobalt(ii)-hydrido complex: isolation of the first {Co-NO}<sup>8</sup>-hydride.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1435","1441","10.1039/c7dt04339b","","x-ray","0.71073","MoKα","","0.0487","0.0471","","","0.0937","0.0944","","","","","","1.094","","","","has coordinates","229449","2020-10-21","18:00:00",""
"7045040","14.0681","0.0003","19.0681","0.0004","25.8449","0.0006","69.532","0.002","76.667","0.002","75.97","0.02","6219.8","0.5","150.15","","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C212 H220 Au12 B2 Cl8 O12 P10 S4 Si8 -","- C212 H220 Au12 B2 Cl8 O12 P10 S4 Si8 -","- C212 H220 Au12 B2 Cl8 O12 P10 S4 Si8 -","1","0.5","","Yu, Wen; Wang, Yingxia; Fuhr, Olaf; Fenske, Dieter; Dehnen, Stefanie","[Au<sub>12</sub>(PPh<sub>2</sub>)<sub>2</sub>S<sub>4</sub>(L2)<sub>4</sub>]<sup>2+</sup> (L2 = 3,4-bis(diphenylphosphino)-2,5-bis(trimethylsilyloxy)furan): an Au<sub>12</sub> unit protected by modified maleic anhydride phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1032","1035","10.1039/c7dt04263a","","x-ray","0.71073","MoKα","","0.0682","0.0574","","","0.1503","0.1575","","","","","","0.958","","","","has coordinates","229530","2020-10-21","18:00:00",""
"7045041","14.2112","0.0008","15.8165","0.0008","16.8488","0.0009","108.74","0.01","100.18","0.01","98.38","0.01","3445.6","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.25 H29.5 Cu F6 N4 O0.25 P -","- C38.25 H28 Cu F6 N4 O0.25 P -","- C153 H112 Cu4 F24 N16 O P4 -","4","2","","Colombo, Alessia; Ossola, Rachele; Magni, Mirko; Roberto, Dominique; Jacquemin, Denis; Castellano, Carlo; Demartin, Francesco; Dragonetti, Claudia","Intriguing C-HCu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1018","1022","10.1039/c7dt04045h","","","0.71073","MoKα","","0.1191","0.0694","","","0.2136","0.2443","","","","","","0.962","","","","has coordinates","229529","2020-10-21","18:00:00",""
"7045042","8.7383","0.0007","12.8143","0.001","14.3893","0.0012","91.87","0.01","98.4","0.01","105.65","0.01","1530.5","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu F6 N4 P -","- C32 H32 Cu F6 N4 P -","- C64 H64 Cu2 F12 N8 P2 -","2","1","","Colombo, Alessia; Ossola, Rachele; Magni, Mirko; Roberto, Dominique; Jacquemin, Denis; Castellano, Carlo; Demartin, Francesco; Dragonetti, Claudia","Intriguing C-HCu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1018","1022","10.1039/c7dt04045h","","","0.71073","MoKα","","0.0485","0.039","","","0.1052","0.1103","","","","","","1.044","","","","has coordinates","229529","2020-10-21","18:00:00",""
"7045043","9.9803","0.0004","11.7805","0.0005","13.9367","0.0006","76.62","0.01","88.06","0.01","76.88","0.01","1552.19","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cu F6 N4 P -","- C36 H24 Cu F6 N4 P -","- C72 H48 Cu2 F12 N8 P2 -","2","1","","Colombo, Alessia; Ossola, Rachele; Magni, Mirko; Roberto, Dominique; Jacquemin, Denis; Castellano, Carlo; Demartin, Francesco; Dragonetti, Claudia","Intriguing C-HCu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1018","1022","10.1039/c7dt04045h","","","0.71073","MoKα","","0.0698","0.0441","","","0.1191","0.1368","","","","","","1.038","","","","has coordinates,has disorder","229529","2020-10-21","18:00:00",""
"7045044","14.8167","0.0005","21.1134","0.0007","9.207","0.0005","90","","90","","90","","2880.2","0.2","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","trisphenylantimony-bis(R-mandelate)","","- C34 H29 O6 Sb -","- C34 H29 O6 Sb -","- C136 H116 O24 Sb4 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0355","0.0306","","","0.0576","0.0602","","","","","","1.024","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045045","10.2304","0.0003","11.9959","0.0005","23.2353","0.0009","90","","90","","90","","2851.5","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trisphenylbismuth-bis(S-mandelate)","","- C34 H29 Bi O6 -","- C34 H29 Bi O6 -","- C136 H116 Bi4 O24 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0362","0.0275","","","0.0499","0.0526","","","","","","0.877","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045046","10.248","0.0008","12.0087","0.0011","23.2139","0.0016","90","","90","","90","","2856.8","0.4","123","2","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trisphenylbismuth-bis(R-mandelate)","","- C34 H29 Bi O6 -","- C34 H29 Bi O6 -","- C136 H116 Bi4 O24 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0415","0.0322","","","0.0599","0.0632","","","","","","0.89","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045047","20.9793","0.0004","13.524","0.0004","11.6673","0.0003","90","","90","","90","","3310.29","0.14","150","0.1","150","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H8 Cd N3 O4 -","- C18 H8 Cd N3 O4 -","- C72 H32 Cd4 N12 O16 -","4","1","","Kaur, Harpreet; Venkateswarulu, M.; Kumar, Suneel; Krishnan, Venkata; Koner, Rik Rani","A metal-organic framework based multifunctional catalytic platform for organic transformation and environmental remediation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1488","1497","10.1039/c7dt04057a","","x-ray","0.71073","MoKα","","0.0753","0.0713","","","0.2217","0.2289","","","","","","1.181","","","","has coordinates","229461","2020-10-21","18:00:00",""
"7045048","17.8856","0.001","5.7367","0.0003","25.7084","0.0015","90","","101.715","0.005","90","","2582.8","0.3","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 B Cl F4 N7 Pd -","- C25 H23 B Cl F4 N7 Pd -","- C100 H92 B4 Cl4 F16 N28 Pd4 -","4","1","","Wang, Haiying; Zhang, Bo; Yan, Xuechao; Guo, Shuai","Palladium pincer-type complexes and zwitterionic sulfur adducts of pyridine-bridged bis(1,2,3-triazolin-5-ylidenes): syntheses, characterizations and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","528","537","10.1039/c7dt03687f","","x-ray","1.54184","CuKα","","0.1268","0.1111","","","0.2589","0.2683","","","","","","1.159","","","","has coordinates","229565","2020-10-21","18:00:00",""
"7045049","10.676","0.001","28.916","0.003","18.615","0.002","90","","98.234","0.01","90","","5687.3","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 Cl6 Co N8 Sn -","- C64 H50 Cl6 Co N8 Sn -","- C256 H200 Cl24 Co4 N32 Sn4 -","4","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes (M = Cr<sup>II</sup> and Co<sup>II</sup>). Strong magnetic coupling of spins in (Cp*<sub>2</sub>Co<sup>+</sup>){Sn<sup>IV</sup>Cl<sub>2</sub>(Pc˙<sup>3-</sup>)}˙<sup>-</sup>·2C<sub>6</sub>H<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1243","1250","10.1039/c7dt03807k","","","0.84344","synchrotron","","0.0529","0.05","","","0.1138","0.1156","","","","","","1.011","","","","has coordinates,has disorder","229537","2020-10-21","18:00:00",""
"7045050","10.086","0.001","13.211","0.001","16.647","0.001","82.58","0.006","78.88","0.007","85.73","0.005","2155.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35 Cl5 Cr N8 Sn -","- C48 H35 Cl5 Cr N8 Sn -","- C96 H70 Cl10 Cr2 N16 Sn2 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Shestakov, Alexander F.; Yudanova, Evgeniya I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Reaction of tin(iv) phthalocyanine dichloride with decamethylmetallocenes (M = Cr<sup>II</sup> and Co<sup>II</sup>). Strong magnetic coupling of spins in (Cp*<sub>2</sub>Co<sup>+</sup>){Sn<sup>IV</sup>Cl<sub>2</sub>(Pc˙<sup>3-</sup>)}˙<sup>-</sup>·2C<sub>6</sub>H<sub>4</sub>Cl<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1243","1250","10.1039/c7dt03807k","","","0.87313","synchrotron","","0.0653","0.059","","","0.1524","0.1561","","","","","","1.028","","","","has coordinates","229537","2020-10-21","18:00:00",""
"7045051","17.556","0.003","17.556","0.003","56.93","0.011","90","","90","","90","","17547","5","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C77 H56 N12 Ni O8 -","- C77 H56 N12 Ni O8 -","- C308 H224 N48 Ni4 O32 -","4","0.5","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","0.71073","MoKα","","0.0732","0.0393","","","0.0949","0.1106","","","","","","0.973","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045052","10.8699","0.0001","24.1347","0.0002","24.7076","0.0002","90","","90","","90","","6481.84","0.1","150","","150","","","","","","","","synthesized","5","P n n a","-P 2a 2bc","52","","","","- C64 H52 N12 Ni O10 -","- C64 H52 N12 Ni O10 -","- C256 H208 N48 Ni4 O40 -","4","0.5","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0762","0.0718","","0.2099","0.2069","0.2099","","","","","","1.069","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045053","12.444","0.0001","13.0297","0.0001","23.3004","0.0002","90","","97.776","0.0009","90","","3743.22","0.05","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 N5 Ni0.5 O5 -","- C43 H39 N5 Ni0.5 O5 -","- C172 H156 N20 Ni2 O20 -","4","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0426","0.0385","","0.1035","0.0982","0.1034","","","","","","0.976","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045054","10.0854","0.0002","20.0861","0.0005","20.4927","0.0005","109.178","0.002","103.485","0.002","103.585","0.002","3586.88","0.17","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C79 H67 N15 O9 -","- C79 H67 N15 O9 -","- C158 H134 N30 O18 -","2","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0652","0.0538","","0.1204","0.1124","0.1202","","","","","","0.9755","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045055","15.6606","0.0003","18.9312","0.0003","20.425","0.0003","86.1854","0.0013","79.7696","0.0015","72.5303","0.0015","5683.78","0.17","150","","150","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C96 H75 N18 O12 -","- C96 H75 N18 O12 -","- C192 H150 N36 O24 -","2","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0929","0.0799","","0.225","0.2042","0.2245","","","","","","0.9274","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045056","14.7549","0.0005","7.3113","0.0003","30.7507","0.0012","90","","92.163","0.004","90","","3314.9","0.2","150","","150","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N4 O5 -","- C38 H35 N4 O5 -","- C152 H140 N16 O20 -","4","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0971","0.0587","","0.1425","0.1233","0.1424","","","","","","0.9936","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045057","11.4761","0.0001","28.7617","0.0002","11.7531","0.0001","90","","115.31","0.001","90","","3506.99","0.06","150","","150","","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 N4 Ni0.5 O6 S -","- C39 H34 N4 Ni0.5 O6 S -","- C156 H136 N16 Ni2 O24 S4 -","4","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.0413","0.0406","","0.101","0.1008","0.101","","","","","","0.9369","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045058","11.4326","0.0006","29.0833","0.0011","11.5789","0.0007","90","","116.102","0.007","90","","3457.3","0.4","150","","150","","","","","","","","synthesized","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl2 N4 Ni0.5 O5 S -","- C37 H30 Cl2 N4 Ni0.5 O5 S -","- C148 H120 Cl8 N16 Ni2 O20 S4 -","4","1","","Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.","Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","783","790","10.1039/c7dt04162d","","","1.54184","CuKα","","0.1062","0.0826","","0.1845","0.1642","0.1845","","","","","","0.9772","","","","has coordinates","230077","2020-10-21","18:00:00",""
"7045059","9.639","0.003","8.491","0.002","17.931","0.005","90","","97.498","0.003","90","","1455","0.7","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N12 Nd4 O52 -","- C16 H24 N12 Nd4 O52 -","- C16 H24 N12 Nd4 O52 -","1","0.125","","Polido Legaria, E.; Saldan, I.; Svedlindh, P.; Wetterskog, E.; Gunnarsson, K.; Kessler, V. G.; Seisenbaeva, G. A.","Coordination of rare earth element cations on the surface of silica-derived nanoadsorbents.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1312","1320","10.1039/c7dt04388k","","","0.71073","MoKα","","0.0382","0.0376","","","0.0951","0.0955","","","","","","1.044","","","","has coordinates,has disorder","229536","2020-10-21","18:00:00",""
"7045062","13.0347","0.0003","14.13","0.0003","11.229","0.0003","90","","90","","90","","2068.16","0.09","150","2","150","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C41 H34 Cl4 Co N12 Ru2 -","- C41 H34 Cl4 Co N12 Ru2 -","- C82 H68 Cl8 Co2 N24 Ru4 -","2","0.5","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0549","0.031","","","0.0586","0.0642","","","","","","0.962","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045063","11.447","0.0004","21.2891","0.0008","20.5063","0.0008","90","","93.0985","0.0012","90","","4990","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42.25 H36.5 Cl6.5 F6 N12 P Rh Ru2 -","- C42.25 H36.5 Cl6.5 F6 N12 P Rh Ru2 -","- C169 H146 Cl26 F24 N48 P4 Rh4 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0493","0.0429","","","0.0971","0.1","","","","","","1.113","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045064","11.5837","0.0008","21.425","0.0018","20.3563","0.0017","90","","92.83","0.003","90","","5045.9","0.7","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl7 Co F6 N12 P Ru2 -","- C42 H35 Cl7 Co F6 N12 P Ru2 -","- C168 H140 Cl28 Co4 F24 N48 P4 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.1891","0.0728","","","0.1489","0.1909","","","","","","1.016","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045065","12.3353","0.0005","10.3177","0.0004","20.5839","0.0008","90","","92.4271","0.001","90","","2617.4","0.18","150","2","150","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C43 H38 Cl8 F6 N12 P Pd Ru2 -","- C43 H38 Cl8 F6 N12 P Pd Ru2 -","- C86 H76 Cl16 F12 N24 P2 Pd2 Ru4 -","2","0.5","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0351","0.0294","","","0.0569","0.0592","","","","","","1.137","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045066","9.7288","0.0004","18.8437","0.0007","20.4662","0.0008","90","","99.8469","0.0012","90","","3696.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl N12 Ru2 -","- C40 H32 Cl N12 Ru2 -","- C160 H128 Cl4 N48 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0901","0.0481","","","0.113","0.1294","","","","","","1.031","","","","has coordinates","229456","2020-10-21","18:00:00",""
"7045067","11.4703","0.0003","21.0727","0.0006","20.3128","0.0007","90","","93.7692","0.0012","90","","4899.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl7 N12 O4 Ru2 Zn -","- C42 H36 Cl7.0005 N12 O4 Ru2 Zn -","- C168 H144 Cl28.002 N48 O16 Ru8 Zn4 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0824","0.0487","","","0.1255","0.1401","","","","","","1.031","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045068","11.5728","0.0001","21.0516","0.0002","20.4882","0.0002","90","","94.5106","0.0007","90","","4976","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42.79 H37.19 Cd Cl7 N12.4 O4 Ru2 -","- C42.796 H37.194 Cd Cl7 N12.398 O4 Ru2 -","- C171.184 H148.776 Cd4 Cl28 N49.592 O16 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0989","0.0705","","","0.1478","0.1565","","","","","","1.162","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045069","19.1716","0.0007","16.5217","0.0006","15.6164","0.0005","90","","108.801","0.0011","90","","4682.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H39 Ag Cl5 N12 O2 Ru2 -","- C44 H39 Ag Cl5 N12 O2 Ru2 -","- C176 H156 Ag4 Cl20 N48 O8 Ru8 -","4","0.5","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0345","0.0282","","","0.0753","0.0783","","","","","","1.076","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045070","11.4236","0.0003","21.3206","0.0006","20.5318","0.0006","90","","92.958","0.0009","90","","4994","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl6 F6 Ir N12 P Ru2 -","- C42 H36 Cl6 F6 Ir N12 P Ru2 -","- C168 H144 Cl24 F24 Ir4 N48 P4 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0459","0.0389","","","0.0844","0.0872","","","","","","1.116","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045071","11.3404","0.0003","21.4694","0.0005","19.9024","0.0004","90","","93.7271","0.0012","90","","4835.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H39 Cl4 Mn N12 O5 Ru2 -","- C43.5 H39 Cl4 Mn N12 O5 Ru2 -","- C174 H156 Cl16 Mn4 N48 O20 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.0904","0.0535","","","0.1157","0.1265","","","","","","1.12","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045072","9.8959","0.0003","17.3019","0.0005","17.8514","0.0005","98.5142","0.0014","100.527","0.0015","98.7123","0.0014","2921.4","0.15","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H45 Cl F12 N12 O3.5 P2 Pd Ru2 -","- C45 H45 Cl F12 N12 O3.5 P2 Pd Ru2 -","- C90 H90 Cl2 F24 N24 O7 P4 Pd2 Ru4 -","2","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.142","0.0984","","","0.2661","0.3137","","","","","","1.056","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045073","11.5723","0.0004","21.3821","0.0007","20.4312","0.0007","90","","92.944","0.0011","90","","5048.8","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H40 Cl5 F6 Fe N12 O P Ru2 -","- C43.5 H40 Cl5 F6 Fe N12 O0.5 P Ru2 -","- C174 H160 Cl20 F24 Fe4 N48 O2 P4 Ru8 -","4","1","","Cheng, Ming-Chuan; Hua, Shao-An; Lv, Qiying; Sigrist, Marc; Lee, Gene-Hsiang; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","Stepwise synthesis of the heterotrimetallic chains [MRu<sub>2</sub>(dpa)<sub>4</sub>X<sub>2</sub>]<sup>0/1+</sup> using group 7 to group 12 transition metal ions and [Ru<sub>2</sub>(dpa)<sub>4</sub>Cl].","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1422","1434","10.1039/c7dt04114d","","","0.71073","MoKα","","0.074","0.0608","","","0.1471","0.1547","","","","","","1.106","","","","has coordinates,has disorder","229456","2020-10-21","18:00:00",""
"7045074","9.7816","0.0007","8.0278","0.0006","12.9267","0.001","90","","90","","90","","1015.07","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Sr(VO2F)(SeO3)","","- F O5 Se Sr V -","- F O5 Se Sr V -","- F8 O40 Se8 Sr8 V8 -","8","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0239","0.0219","","","0.0568","0.058","","","","","","1.043","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045075","10.0539","0.0006","8.3967","0.0005","13.1744","0.001","90","","90","","90","","1112.18","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ba(VO2F)(SeO3)","","- Ba F O5 Se V -","- Ba F O5 Se V -","- Ba8 F8 O40 Se8 V8 -","8","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0244","0.0205","","","0.0466","0.0493","","","","","","1.03","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045076","5.4281","0.0005","10.1306","0.0007","12.3186","0.0008","90","","116.145","0.003","90","","608.09","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ba(MoOF2)(TeO4)","","- Ba F2 Mo O5 Te -","- Ba F2 Mo O5 Te -","- Ba4 F8 Mo4 O20 Te4 -","4","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0335","0.0248","","","0.0499","0.055","","","","","","1.043","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045077","5.4483","0.0004","10.0179","0.0007","12.3134","0.0009","90","","115.422","0.006","90","","607","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ba(WOF2)(TeO4)","","- Ba F2 O5 Te W -","- Ba F2 O5 Te W -","- Ba4 F8 O20 Te4 W4 -","4","1","","Liang, Ming-Li; Ma, Yun-Xiang; Hu, Chun-Li; Kong, Fang; Mao, Jiang-Gao","A(VO<sub>2</sub>F)(SeO<sub>3</sub>) (A = Sr, Ba) and Ba(MOF<sub>2</sub>)(TeO<sub>4</sub>) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d<sup>0</sup>-TM octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1513","1519","10.1039/c7dt04442a","","","0.71073","MoKα","","0.0302","0.0249","","","0.0549","0.0573","","","","","","1.006","","","","has coordinates","229452","2020-10-21","18:00:00",""
"7045078","21.282","0.006","18.958","0.006","11.572","0.004","90","","90","","90","","4669","3","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","matlv08","","","- C29 H75 Hf N O19 V5 -","- C29 H75 Hf N O19 V5 -","- C116 H300 Hf4 N4 O76 V20 -","4","1","","VanGelder, L. E.; Brennessel, W. W.; Matson, E. M.","Tuning the redox profiles of polyoxovanadate-alkoxide clusters via heterometal installation: toward designer redox Reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3698","3704","10.1039/c7dt04455k","","","0.71073","MoKα","","0.088","0.0551","","","0.1118","0.1243","","","","","","1.044","","","","has coordinates,has disorder","229998","2020-10-21","18:00:00",""
"7045079","11.5947","0.0017","18.157","0.003","23.178","0.003","90","","103.215","0.0018","90","","4750.3","1.2","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","matlv07","","","- C29 H75 N O19 Ti V5 -","- C29 H75 N O19 Ti V5 -","- C116 H300 N4 O76 Ti4 V20 -","4","1","","VanGelder, L. E.; Brennessel, W. W.; Matson, E. M.","Tuning the redox profiles of polyoxovanadate-alkoxide clusters via heterometal installation: toward designer redox Reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3698","3704","10.1039/c7dt04455k","","","0.71073","MoKα","","0.1686","0.0692","","","0.126","0.1626","","","","","","1.009","","","","has coordinates,has disorder","229998","2020-10-21","18:00:00",""
"7045080","21.402","0.002","18.96","0.002","11.5527","0.0012","90","","90","","90","","4687.9","0.8","100","0.5","100","0.5","","","","","","","","6","P n a 21","P 2c -2n","33","matlv05","","","- C29 H75 N O19 V5 Zr -","- C29 H75 N O19 V5 Zr -","- C116 H300 N4 O76 V20 Zr4 -","4","1","","VanGelder, L. E.; Brennessel, W. W.; Matson, E. M.","Tuning the redox profiles of polyoxovanadate-alkoxide clusters via heterometal installation: toward designer redox Reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3698","3704","10.1039/c7dt04455k","","","0.71073","MoKα","","0.0681","0.0439","","","0.0937","0.1048","","","","","","1.02","","","","has coordinates,has disorder","229998","2020-10-21","18:00:00",""
"7045081","26.224","0.006","5.9154","0.0013","32.551","0.005","90","","113.754","0.013","90","","4621.7","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Fe2 N2 O4 Se4 -","- C50 H50 Fe2 N2 O4 Se4 -","- C200 H200 Fe8 N8 O16 Se16 -","4","0.5","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.0417","0.0289","","","0.0619","0.0651","","","","","","1.013","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045082","7.6294","0.0018","33.347","0.008","7.1324","0.0017","90","","110.008","0.003","90","","1705.1","0.7","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H20 Cl Eu0 N O6 -","- C15 H20 Cl N O6 -","- C60 H80 Cl4 N4 O24 -","4","1","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.0673","0.0636","","","0.1897","0.1962","","","","","","1.086","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045083","10.88","0.004","11.998","0.005","21.837","0.008","90","","90","","90","","2850.6","1.9","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl Eu0 Fe N2 O6 Se2 -","- C27 H28 Cl Fe N2 O6 Se2 -","- C108 H112 Cl4 Fe4 N8 O24 Se8 -","4","1","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.074","0.0428","","","0.0826","0.0912","","","","","","0.999","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045084","8.9526","0.001","10.2338","0.0011","24.89","0.003","91.298","0.002","94.727","0.002","93.742","0.002","2266.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Fe N O2 Se2 -","- C25 H25 Fe N O2 Se2 -","- C100 H100 Fe4 N4 O8 Se8 -","4","2","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.0772","0.0581","","","0.1666","0.1901","","","","","","1.01","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045085","20.2799","0.0007","7.3753","0.0003","22.274","0.0009","90","","90","","90","","3331.5","0.2","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C19 H14 Fe N O3 Re -","- C19 H14 Fe N O3 Re -","- C152 H112 Fe8 N8 O24 Re8 -","8","1","","Oyarzo, Juan; Acuña, Alejandra; Klahn, Hugo; Arancibia, Rodrigo; Silva, Carlos P.; Bosque, Ramón; López, Concepción; Font-Bardía, Mercè; Calvis, Carme; Messeguer, Ramón","Isomeric and hybrid ferrocenyl/cyrhetrenyl aldimines: a new family of multifunctional compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1635","1649","10.1039/c7dt04142j","","","0.71073","MoKα","","0.0587","0.0336","","","0.0528","0.0601","","","","","","1.027","","","","has coordinates","229472","2020-10-21","18:00:00",""
"7045086","7.7538","0.0003","10.0032","0.0003","11.4059","0.0004","99.296","0.002","104.904","0.001","98.359","0.001","827.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Fe N O3 Re -","- C19 H14 Fe N O3 Re -","- C38 H28 Fe2 N2 O6 Re2 -","2","1","","Oyarzo, Juan; Acuña, Alejandra; Klahn, Hugo; Arancibia, Rodrigo; Silva, Carlos P.; Bosque, Ramón; López, Concepción; Font-Bardía, Mercè; Calvis, Carme; Messeguer, Ramón","Isomeric and hybrid ferrocenyl/cyrhetrenyl aldimines: a new family of multifunctional compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1635","1649","10.1039/c7dt04142j","","","0.71073","MoKα","","0.0179","0.015","","","0.0311","0.0317","","","","","","1.112","","","","has coordinates","229472","2020-10-21","18:00:00",""
"7045087","16.4494","0.0007","8.1443","0.0002","17.6939","0.0008","90","","92.101","0.003","90","","2368.84","0.16","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl N2 O2 Ru -","- C27 H27 Cl N2 O2 Ru -","- C108 H108 Cl4 N8 O8 Ru4 -","4","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.0291","0.0217","","","0.0499","0.0517","","","","","","1.03","","","","has coordinates","230064","2020-10-21","18:00:00",""
"7045088","9.9327","0.0018","27.56","0.004","10.059","0.002","90","","106.967","0.014","90","","2633.7","0.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl N2 O2 Ru -","- C31 H29 Cl N2 O2 Ru -","- C124 H116 Cl4 N8 O8 Ru4 -","4","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.1237","0.0718","","","0.1424","0.1678","","","","","","1.089","","","","has coordinates","230064","2020-10-21","18:00:00",""
"7045089","10.5733","0.0008","11.3341","0.0013","16.2898","0.0016","97.731","0.009","106.62","0.007","100.18","0.009","1805.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 F6 N5 O2 P2 Ru -","- C37 H41 F6 N5 O2 P2 Ru -","- C74 H82 F12 N10 O4 P4 Ru2 -","2","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.0816","0.0537","","","0.1028","0.1162","","","","","","1.109","","","","has coordinates,has disorder","230064","2020-10-21","18:00:00",""
"7045090","13.815","0.002","15.2054","0.0013","29.897","0.004","90","","90","","90","","6280.2","1.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H33 Cl N2 O2 Ru -","- C33 H33 Cl N2 O2 Ru -","- C264 H264 Cl8 N16 O16 Ru8 -","8","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.1419","0.1083","","","0.2212","0.2338","","","","","","1.26","","","","has coordinates","230064","2020-10-21","18:00:00",""
"7045091","8.1807","0.0007","16.3923","0.0018","19.3118","0.0018","90","","96.34","0.007","90","","2573.9","0.4","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl N2 O2 Ru -","- C29 H31 Cl N2 O2 Ru -","- C116 H124 Cl4 N8 O8 Ru4 -","4","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J.","Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","868","878","10.1039/c7dt04249c","","","0.71073","MoKα","","0.0732","0.0369","","","0.0572","0.0629","","","","","","0.877","","","","has coordinates","230064","2020-10-21","18:00:00",""
"7045092","24.5835","0.0017","7.2032","0.0005","14.2362","0.001","90","","105.711","0.007","90","","2426.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.1322","0.061","","","0.1371","0.1679","","","","","","1.013","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045093","4.8722","0.0006","7.6353","0.0008","19.256","0.002","92.857","0.009","96.511","0.009","104.261","0.01","687.53","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C32 H30 N2 O6 -","2","1","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.1559","0.0857","","","0.2099","0.2578","","","","","","1.039","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045094","10.5925","0.0002","19.0045","0.0004","11.3877","0.0003","90","","96.16","0.002","90","","2279.17","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 O4 Sn -","- C26 H22 O4 Sn -","- C104 H88 O16 Sn4 -","4","1","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0328","0.0246","","","0.0536","0.0571","","","","","","1.067","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045095","8.3521","0.0003","17.4627","0.0006","38.415","0.003","90","","90","","90","","5602.8","0.5","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H27 N O3 Sn -","- C33 H27 N O3 Sn -","- C264 H216 N8 O24 Sn8 -","8","1","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0863","0.0618","","","0.1003","0.1098","","","","","","1.159","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045096","6.1246","0.0005","57.377","0.004","7.2367","0.0004","90","","90","","90","","2543.1","0.3","296","2","296","2","","","","","","","","4","P 21 c a","P -2ac 2a","29","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.1761","0.1665","","","0.4128","0.4293","","","","","","1.713","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045097","9.6664","0.0003","14.5629","0.0006","19.7869","0.0007","101.707","0.003","94.317","0.004","96.279","0.003","2697.49","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N O2 Sn -","- C32 H25 N O2 Sn -","- C128 H100 N4 O8 Sn4 -","4","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0552","0.0391","","","0.0771","0.0836","","","","","","1.055","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045098","11.7022","0.0006","10.3673","0.0006","48.186","0.002","90","","92.817","0.004","90","","5838.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N2 O2 Sn -","- C34 H30 N2 O2 Sn -","- C272 H240 N16 O16 Sn8 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.1908","0.1246","","","0.2046","0.2311","","","","","","1.156","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045099","19.5733","0.0007","14.9548","0.0005","18.3132","0.0006","90","","90","","90","","5360.5","0.3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H24 F N O2 Sn -","- C32 H24 F N O2 Sn -","- C256 H192 F8 N8 O16 Sn8 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0462","0.0312","","","0.0646","0.0732","","","","","","1.079","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045100","26.2984","0.0008","9.5246","0.0004","21.8019","0.0008","90","","92.563","0.003","90","","5455.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F N O2 Sn -","- C32 H24 F N O2 Sn -","- C256 H192 F8 N8 O16 Sn8 -","8","2","","Basu Baul, Tushar S.; Longkumer, Imliwati; Duthie, Andrew; Singh, Priya; Koch, Biplob; Guedes da Silva, M Fátima C","Triphenylstannyl((arylimino)methyl)benzoates with selective potency that induce G1 and G2/M cell cycle arrest and trigger apoptosis via ROS in human cervical cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1993","2008","10.1039/c7dt04037g","","","0.71073","MoKα","","0.0717","0.0532","","","0.0981","0.1049","","","","","","1.159","","","","has coordinates","229587","2020-10-21","18:00:00",""
"7045101","8.0992","0.0008","11.4165","0.001","11.763","0.0011","103.655","0.008","103.501","0.008","97.011","0.008","1009.48","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Co N22 O4 -","- C36 H28 Co N22 O4 -","- C36 H28 Co N22 O4 -","1","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.0395","0.0306","","","0.0662","0.07","","","","","","1.065","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045102","8.6207","0.0006","16.5927","0.0011","10.1837","0.0006","90","","94.343","0.006","90","","1452.5","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co N18 O4 -","- C26 H20 Co N18 O4 -","- C52 H40 Co2 N36 O8 -","2","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.0675","0.0365","","","0.0851","0.0922","","","","","","1.046","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045103","7.1594","0.0002","12.3043","0.0004","12.9843","0.0004","71.278","0.003","75.397","0.002","83.503","0.002","1047.64","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Co N22 O2 -","- C42 H28 Co N22 O2 -","- C42 H28 Co N22 O2 -","1","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.0372","0.0312","","","0.0732","0.0764","","","","","","1.048","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045104","8.5646","0.0004","10.1344","0.0003","19.0783","0.0008","90","","119.986","0.005","90","","1434.29","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co N14 Se2 -","- C26 H20 Co N14 Se2 -","- C52 H40 Co2 N28 Se4 -","2","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.042","0.0355","","","0.0892","0.0934","","","","","","1.042","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045105","7.6946","0.0003","13.5526","0.0006","16.7231","0.0008","90","","101.741","0.004","90","","1707.43","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Co N18 O6 -","- C30 H24 Co N18 O6 -","- C60 H48 Co2 N36 O12 -","2","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.047","0.0356","","","0.0896","0.0958","","","","","","1.056","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045106","9.0417","0.0004","9.8054","0.0004","9.8315","0.0004","86.688","0.003","63.486","0.004","82.592","0.004","773.45","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Co N18 O2 -","- C30 H20 Co N18 O2 -","- C30 H20 Co N18 O2 -","1","0.5","","Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R.","Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1498","1512","10.1039/c7dt04256f","","","0.71073","MoKα","","0.0419","0.034","","","0.0794","0.0831","","","","","","1.085","","","","has coordinates","229473","2020-10-21","18:00:00",""
"7045107","12.1379","0.0004","9.8806","0.0004","18.5754","0.0006","90","","90.151","0.002","90","","2227.74","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B N3 -","- C28 H30 B N3 -","- C112 H120 B4 N12 -","4","1","","Clarke, J. J.; Eisenberger, P.; Piotrkowski, S. S.; Crudden, C. M.","Azaborines: synthesis and use in the generation of stabilized boron-substituted carbocations.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1791","1795","10.1039/c7dt01329a","","","0.71073","MoKα","","0.0638","0.0473","","","0.1063","0.1164","","","","","","1.029","","","","has coordinates,has disorder","229604","2020-10-21","18:00:00",""
"7045108","11.4217","0.0007","15.4399","0.001","16.5048","0.001","90.991","0.002","107.581","0.002","101.888","0.002","2705.3","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C53 H50 Ag2 F12 N4 O P4 -","- C53 H50 Ag2 F12 N4 O P4 -","- C106 H100 Ag4 F24 N8 O2 P8 -","2","1","","Keller, Sarah; Camenzind, Timothy N.; Abraham, Johannes; Prescimone, Alessandro; Häussinger, Daniel; Constable, Edwin C.; Housecroft, Catherine E.","Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","946","957","10.1039/c7dt03923a","","","1.5418","CuKα","","0.0366","0.035","","0.081","0.0806","0.081","","","","","","0.9224","","","","has coordinates","230068","2020-10-21","18:00:00",""
"7045109","12.1355","0.001","12.5994","0.001","14.8038","0.0012","95.415","0.003","112.162","0.003","93.696","0.003","2074.6","0.3","123","","123","","","","","","","","Sarah Keller","7","P -1","-P 1","2","","","","- C88 H74 Ag2 F12 N6 O2 P6 -","- C88 H74 Ag2 F12 N6 O2 P6 -","- C88 H74 Ag2 F12 N6 O2 P6 -","1","0.5","","Keller, Sarah; Camenzind, Timothy N.; Abraham, Johannes; Prescimone, Alessandro; Häussinger, Daniel; Constable, Edwin C.; Housecroft, Catherine E.","Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","946","957","10.1039/c7dt03923a","","","1.5418","CuKα","","0.0291","0.0258","","0.0316","0.0283","0.0279","","","","","","1.0823","","","","has coordinates","230068","2020-10-21","18:00:00",""
"7045110","23.7942","0.001","30.1578","0.0013","44.766","0.002","90","","95.386","0.002","90","","31981","2","123","","123","","","","","","","","Timothy Camnzind / Sarah Keller","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H64 Ag2 Cl2 F12 N6 P6 -","- C83 H64 Ag2 Cl2 F12 N6 P6 -","- C1328 H1024 Ag32 Cl32 F192 N96 P96 -","16","4","","Keller, Sarah; Camenzind, Timothy N.; Abraham, Johannes; Prescimone, Alessandro; Häussinger, Daniel; Constable, Edwin C.; Housecroft, Catherine E.","Self-assembly of heteroleptic dinuclear silver(i) complexes bridged by bis(diphenylphosphino)ethyne.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","946","957","10.1039/c7dt03923a","","","1.54178","CuKα","","0.0699","0.0614","","0.1046","0.103","0.104","","","","","","0.8961","","","","has coordinates,has disorder","230068","2020-10-21","18:00:00",""
"7045111","10.402","0.0006","10.5518","0.0006","13.2663","0.0008","82.314","0.005","75.737","0.005","69.727","0.004","1321.92","0.14","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 As2 N2 Na2 O2 -","- C56 H74 As2 N2 Na2 O2 -","- C56 H74 As2 N2 Na2 O2 -","1","0.5","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of alkali metal arsinoamides.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12521","12525","10.1039/c7dt04401a","","x-ray","0.71073","MoKα","","0.0841","0.046","","","0.1098","0.1249","","","","","","1.042","","","","has coordinates,has disorder","229931","2020-10-21","18:00:00",""
"7045112","9.7359","0.0005","10.7675","0.0006","14.0129","0.0007","67.45","0.004","81.984","0.004","76.104","0.004","1315.14","0.13","210","","210","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H70 As2 K2 N2 O2 -","- C56 H70 As2 K2 N2 O2 -","- C56 H70 As2 K2 N2 O2 -","1","0.5","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of alkali metal arsinoamides.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12521","12525","10.1039/c7dt04401a","","x-ray","0.71073","MoKα","","0.0805","0.0496","","","0.1174","0.1353","","","","","","1.028","","","","has coordinates","229931","2020-10-21","18:00:00",""
"7045113","9.7629","0.0004","16.3472","0.0004","10.4418","0.0004","90","","109.809","0.003","90","","1567.86","0.1","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H46.2 As Li N O2 -","- C32 H46.2 As Li N O2 -","- C64 H92.4 As2 Li2 N2 O4 -","2","1","","Chen, Xiao; Gamer, Michael T.; Roesky, Peter W.","Synthesis and structural characterization of alkali metal arsinoamides.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12521","12525","10.1039/c7dt04401a","","x-ray","0.71073","MoKα","","0.0873","0.0631","","","0.1519","0.1599","","","","","","0.937","","","","has coordinates,has disorder","229931","2020-10-21","18:00:00",""
"7045114","11.052","0.0005","14.8221","0.0006","18.5056","0.0007","104.789","0.0013","104.003","0.0014","105.45","0.0014","2664.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H68 B2 Fe O S2 -","- C66 H68 B2 Fe O S2 -","- C132 H136 B4 Fe2 O2 S4 -","2","1","","Venker, Alexander; Vollgraff, Tobias; Sundermeyer, Jörg","Ferrocenyl-sulfonium ionic liquids - synthesis, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1933","1941","10.1039/c7dt04139j","","","0.71073","MoKα","","0.039","0.0321","","","0.0735","0.0766","","","","","","1.031","","","","has coordinates","229589","2020-10-21","18:00:00",""
"7045115","15.436","0.0006","9.5323","0.0004","8.8874","0.0003","90","","93.079","0.001","90","","1305.81","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Fe I S -","- C12 H15 Fe I S -","- C48 H60 Fe4 I4 S4 -","4","1","","Venker, Alexander; Vollgraff, Tobias; Sundermeyer, Jörg","Ferrocenyl-sulfonium ionic liquids - synthesis, characterization and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1933","1941","10.1039/c7dt04139j","","","0.71073","MoKα","","0.0256","0.0186","","","0.0364","0.0376","","","","","","1.045","","","","has coordinates","229589","2020-10-21","18:00:00",""
"7045116","18.5","0.0013","18.5","0.0013","23.582","0.002","90","","90","","120","","6989.6","0.9","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C23 H8 Cu2 F3 N O10 -","- C23 H8 Cu2 F3 N O10 -","- C138 H48 Cu12 F18 N6 O60 -","6","0.25","","Gupta, Anoop K.; De, Dinesh; Tomar, Kapil; Bharadwaj, Parimal K.","A Cu(ii) metal-organic framework with significant H<sub>2</sub> and CO<sub>2</sub> storage capacity and heterogeneous catalysis for the aerobic oxidative amination of C(sp<sup>3</sup>)-H bonds and Biginelli reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1624","1634","10.1039/c7dt04006g","","","0.71073","MoKα","","0.1194","0.0801","","","0.246","0.2696","","","","","","1.094","","","","has coordinates","229463","2020-10-21","18:00:00",""
"7045117","12.6009","0.0006","13.4206","0.001","18.293","0.001","101.278","0.005","99.831","0.005","114.139","0.006","2657.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H50 Cr Cu2 Mn2 N10 O15 -","- C45 H50 Cr Cu2 Mn2 N10 O15 -","- C90 H100 Cr2 Cu4 Mn4 N20 O30 -","2","1","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Andruh, Marius; Lloret, Francesc; Cano, Joan; Julve, Miguel","Three different types of bridging ligands in a 3d-3d'-3d'' heterotrimetallic chain.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1010","1013","10.1039/c7dt04586g","","x-ray","0.71073","MoKα","","0.0923","0.0562","","","0.1038","0.1218","","","","","","0.987","","","","has coordinates","229531","2020-10-21","18:00:00",""
"7045118","14.9338","0.0012","12.751","0.0009","17.6244","0.0013","90","","98.707","0.002","90","","3317.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N2 Yb -","- C38 H52 N2 Yb -","- C152 H208 N8 Yb4 -","4","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0326","0.027","","","0.0649","0.0667","","","","","","1.034","","","","has coordinates","229464","2020-10-21","18:00:00",""
"7045119","12.0399","0.0007","14.7771","0.0008","24.3929","0.0014","90","","98.609","0.001","90","","4291","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 N2 O Yb -","- C49 H62 N2 O Yb -","- C196 H248 N8 O4 Yb4 -","4","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0531","0.0336","","","0.0727","0.08","","","","","","1.026","","","","has coordinates","229464","2020-10-21","18:00:00",""
"7045120","16.0426","0.0002","18.6629","0.0003","12.4388","0.0002","90","","90","","90","","3724.19","0.1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H54 N2 S Yb -","- C42 H54 N2 S Yb -","- C168 H216 N8 S4 Yb4 -","4","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0445","0.0308","","","0.06","0.0644","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7045121","17.8249","0.001","17.7694","0.001","23.7557","0.0013","90","","90","","90","","7524.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H56 N2 Yb -","- C44 H56 N2 Yb -","- C352 H448 N16 Yb8 -","8","1","","Trifonov, Alexander A.; Mahrova, Tatyana V.; Luconi, Lapo; Giambastiani, Giuliano; Lyubov, Dmitry M.; Cherkasov, Anton V.; Sorace, Lorenzo; Louyriac, Elisa; Maron, Laurent; Lyssenko, Konstantin A.","Steric control in the metal-ligand electron transfer of iminopyridine-ytterbocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1566","1576","10.1039/c7dt04299j","","","0.71073","MoKα","","0.0649","0.0311","","","0.0605","0.069","","","","","","1","","","","has coordinates,has disorder","229464","2020-10-21","18:00:00",""
"7045122","15.581","0.003","20.331","0.004","29.683","0.005","82.897","0.009","80.573","0.009","74.654","0.01","8913","3","296","","296","","","","","","","","see text","7","P -1","-P 1","2","","","","- C144 H152 Cl16 Dy4 N16 O37 Zn10 -","- C144 H152 Cl16 Dy4 N16 O37 Zn10 -","- C288 H304 Cl32 Dy8 N32 O74 Zn20 -","2","1","","Boulkedid, Ahlem-Linda; Long, Jérôme; Beghidja, Chahrazed; Guari, Yannick; Beghidja, Adel; Larionova, Joulia","A luminescent Schiff-base heterotrinuclear Zn<sub>2</sub>Dy single-molecule magnet with an axial crystal field.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1402","1406","10.1039/c7dt03842a","","x-ray","0.71073","MoKα","","0.1107","0.0658","","","0.1837","0.2138","","","","","","1.023","","","","has coordinates,has disorder","229470","2020-10-21","18:00:00",""
"7045123","13.5719","0.0004","8.794","0.0003","6.0584","0.0002","90","","90","","90","","723.08","0.04","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H5 Cl In N O4 -","- C4 H5 Cl In N O4 -","- C8 H10 Cl2 In2 N2 O8 -","2","0.25","","Gomez, G. E.; D'vries, R. F.; Lionello, D. F.; Aguirre-Díaz, L M; Spinosa, M.; Costa, C. S.; Fuertes, M. C.; Pizarro, R. A.; Kaczmarek, A. M.; Ellena, J.; Rozes, L.; Iglesias, M.; Van Deun, R.; Sanchez, C.; Monge, M. A.; Soler-Illia, G J A A","Exploring physical and chemical properties in new multifunctional indium-, bismuth-, and zinc-based 1D and 2D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1808","1818","10.1039/c7dt04287f","","x-ray","0.71073","MoKα","","0.014","0.0136","","","0.0358","0.036","","","","","","1.098","","","","has coordinates","229599","2020-10-21","18:00:00",""
"7045124","9.3852","0.0006","9.6474","0.0007","13.4442","0.0009","72.378","0.006","74.943","0.006","62.844","0.007","1021.6","0.14","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Bi N4 O8 -","- C18 H16 Bi N4 O8 -","- C36 H32 Bi2 N8 O16 -","2","1","","Gomez, G. E.; D'vries, R. F.; Lionello, D. F.; Aguirre-Díaz, L M; Spinosa, M.; Costa, C. S.; Fuertes, M. C.; Pizarro, R. A.; Kaczmarek, A. M.; Ellena, J.; Rozes, L.; Iglesias, M.; Van Deun, R.; Sanchez, C.; Monge, M. A.; Soler-Illia, G J A A","Exploring physical and chemical properties in new multifunctional indium-, bismuth-, and zinc-based 1D and 2D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1808","1818","10.1039/c7dt04287f","","x-ray","0.71073","MoKα","","0.0757","0.0425","","","0.0765","0.0894","","","","","","1.027","","","","has coordinates,has disorder","229599","2020-10-21","18:00:00",""
"7045125","7.6958","0.0006","8.8864","0.0007","10.6748","0.0009","80.941","0.007","70.42","0.008","78.138","0.007","670.01","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 N2 O5 Zn -","- C15 H11 N2 O5 Zn -","- C30 H22 N4 O10 Zn2 -","2","1","","Gomez, G. E.; D'vries, R. F.; Lionello, D. F.; Aguirre-Díaz, L M; Spinosa, M.; Costa, C. S.; Fuertes, M. C.; Pizarro, R. A.; Kaczmarek, A. M.; Ellena, J.; Rozes, L.; Iglesias, M.; Van Deun, R.; Sanchez, C.; Monge, M. A.; Soler-Illia, G J A A","Exploring physical and chemical properties in new multifunctional indium-, bismuth-, and zinc-based 1D and 2D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1808","1818","10.1039/c7dt04287f","","x-ray","0.71073","MoKα","","0.0743","0.0421","","","0.0794","0.0931","","","","","","1.031","","","","has coordinates","229599","2020-10-21","18:00:00",""
"7045126","18.337","0.005","12.223","0.003","10.707","0.003","90","","104.479","0.009","90","","2323.6","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 Bi N2 O8 -","- C8 H11 Bi N2 O8 -","- C64 H88 Bi8 N16 O64 -","8","1","","Gomez, G. E.; D'vries, R. F.; Lionello, D. F.; Aguirre-Díaz, L M; Spinosa, M.; Costa, C. S.; Fuertes, M. C.; Pizarro, R. A.; Kaczmarek, A. M.; Ellena, J.; Rozes, L.; Iglesias, M.; Van Deun, R.; Sanchez, C.; Monge, M. A.; Soler-Illia, G J A A","Exploring physical and chemical properties in new multifunctional indium-, bismuth-, and zinc-based 1D and 2D coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1808","1818","10.1039/c7dt04287f","","","0.71075","MoKα","","0.0408","0.0312","","","0.0689","0.0734","","","","","","1.058","","","","has coordinates","229599","2020-10-21","18:00:00",""
"7045127","23.0868","0.0005","14.8066","0.0004","24.7743","0.0005","90","","93.479","0.007","90","","8453.2","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H124 Cl2 Fe2 N2 P4 -","- C76 H118 Cl2 Fe2 N2 P4 -","- C304 H472 Cl8 Fe8 N8 P16 -","4","1","","Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1117","1121","10.1039/c7dt04327a","","","0.71075","MoKα","","0.1432","0.1168","","","0.2399","0.2535","","","","","","1.217","","","","has coordinates,has disorder","229527","2020-10-21","18:00:00",""
"7045128","11.7043","0.0003","25.1225","0.0005","19.9855","0.0004","90","","93.203","0.007","90","","5867.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H86 Cl Fe N P2 -","- C62 H86 Cl Fe N P2 -","- C248 H344 Cl4 Fe4 N4 P8 -","4","1","","Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1117","1121","10.1039/c7dt04327a","","","0.71075","MoKα","","0.0836","0.059","","","0.1274","0.1368","","","","","","1.029","","","","has coordinates","229527","2020-10-21","18:00:00",""
"7045129","25.416","0.0005","13.1322","0.0003","24.3186","0.0006","90","","102.791","0.007","90","","7915.3","0.4","173","","173","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C76 H124 Fe2 N4 P4 -","- C76 H124 Fe2 N4 P4 -","- C304 H496 Fe8 N16 P16 -","4","1","","Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1117","1121","10.1039/c7dt04327a","","","0.71075","MoKα","","0.1133","0.0649","","","0.1423","0.1603","","","","","","1.021","","","","has coordinates","229527","2020-10-21","18:00:00",""
"7045130","23.1407","0.0004","14.8928","0.0003","24.4042","0.0004","90","","92.8868","0.0007","90","","8399.7","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H140 Fe2 N2 O P4 -","- C82 H140 Fe2 N2 O P4 -","- C328 H560 Fe8 N8 O4 P16 -","4","1","","Higuchi, Junichi; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of iron complexes bearing anionic carbazole-based PNP-type pincer ligands toward catalytic nitrogen fixation.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1117","1121","10.1039/c7dt04327a","","","0.71075","MoKα","","0.0973","0.0523","","","0.1077","0.1212","","","","","","1.012","","","","has coordinates,has disorder","229527","2020-10-21","18:00:00",""
"7045131","14.859","0.003","18.703","0.004","15.719","0.003","90","","102.99","0.03","90","","4256.6","1.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cl4 Cu3 N10 O20 -","- C30 H30 Cl4 Cu3 N10 O20 -","- C120 H120 Cl16 Cu12 N40 O80 -","4","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.0409","0.0293","","","0.069","0.0768","","","","","","1.062","","","","has coordinates,has disorder","229404","2020-10-21","18:00:00",""
"7045132","15.0153","0.0007","14.1311","0.0007","14.3905","0.0007","90","","98.11","0.002","90","","3022.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Cu3 N12 O14 -","- C24 H16 Cu3 N12 O14 -","- C96 H64 Cu12 N48 O56 -","4","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.0421","0.0354","","","0.0903","0.0978","","","","","","1.086","","","","has coordinates,has disorder","229404","2020-10-21","18:00:00",""
"7045133","10.3696","0.0005","12.7637","0.0006","14.6867","0.0006","75.3919","0.0017","70.8407","0.0017","75.991","0.002","1749.63","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.33 H30.66 Cl4 Mn3 N10 O6 -","- C26.33 H30.66 Cl4 Mn3 N10 O6 -","- C52.66 H61.32 Cl8 Mn6 N20 O12 -","2","1","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.0549","0.0419","","","0.1059","0.1173","","","","","","1.083","","","","has coordinates,has disorder","229404","2020-10-21","18:00:00",""
"7045134","13.099","0.003","13.734","0.003","15.973","0.007","90","","106.33","0.03","90","","2757.6","1.5","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H20 Cl4 Cu3 N8 O2 -","- C26 H20 Cl4 Cu3 N8 O2 -","- C104 H80 Cl16 Cu12 N32 O8 -","4","0.5","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.0537","0.0365","","","0.1009","0.1162","","","","","","1.006","","","","has coordinates","229404","2020-10-21","18:00:00",""
"7045135","15.2861","0.001","18.7512","0.0011","19.8454","0.0012","79.965","0.002","76.015","0.002","68.805","0.002","5122.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H66.5 F18 Fe4 N17.5 O29 S6 -","- C65 H66.5 F18 Fe4 N17.5 O29 S6 -","- C130 H133 F36 Fe8 N35 O58 S12 -","2","1","","Anwar, Muhammad U.; Al-Harrasi, Ahmed; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.; Thompson, Laurence K.","A new nitrogen rich open chain diazine ligand system: synthesis coordination chemistry and magneto-structural studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2511","2521","10.1039/c7dt03845c","","","0.71073","MoKα","","0.1033","0.0684","","","0.1614","0.2082","","","","","","1.091","","","","has coordinates,has disorder","229404","2020-10-21","18:00:00",""
"7045136","11.6451","0.0003","17.7149","0.0005","23.7054","0.0007","90","","101.509","0.001","90","","4791.9","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl2 Mn N10 O2 -","- C50 H51 Cl2 Mn N10 O2 -","- C200 H204 Cl8 Mn4 N40 O8 -","4","1","","Berezin, Alexey S.; Vinogradova, Katerina A.; Nadolinny, Vladimir A.; Sukhikh, Taisiya S.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Bushuev, Mark B.","Temperature- and excitation wavelength-dependent emission in a manganese(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1657","1665","10.1039/c7dt04535b","","","0.71073","MoKα","","0.1062","0.0582","","","0.1331","0.1563","","","","","","1.024","","","","has coordinates,has disorder","229455","2020-10-21","18:00:00",""
"7045137","19.279","0.004","13.195","0.004","20.968","0.007","90","","115.383","0.017","90","","4819","2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 Mn N10 O -","- C51 H52 Cl2 Mn N10 O -","- C204 H208 Cl8 Mn4 N40 O4 -","4","0.5","","Berezin, Alexey S.; Vinogradova, Katerina A.; Nadolinny, Vladimir A.; Sukhikh, Taisiya S.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Bushuev, Mark B.","Temperature- and excitation wavelength-dependent emission in a manganese(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1657","1665","10.1039/c7dt04535b","","","0.71073","MoKα","","0.0654","0.0446","","","0.1181","0.1296","","","","","","1.016","","","","has coordinates,has disorder","229455","2020-10-21","18:00:00",""
"7045138","13.445","0.005","10.038","0.005","27.511","0.005","90","0.005","95.679","0.005","90","0.005","3695","2","100","2","100","2","","","","","","","synthesis as described","8","P 1 2/n 1","-P 2yac","13","sef3_24","sef3_24a_0m","","- C66 H92 Cl4 N8 O5 P2 Ru2 S5 -","- C66 H92 Cl4 N8 O5 P2 Ru2 S5 -","- C132 H184 Cl8 N16 O10 P4 Ru4 S10 -","2","0.5","","Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.","Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1276","1283","10.1039/c7dt04333c","","x-ray","0.71073","MoKα","","0.1762","0.0666","","","0.142","0.1904","","","","","","0.968","","","","has coordinates","229524","2020-10-21","18:00:00",""
"7045139","33.798","0.004","33.798","0.004","19.6172","0.0017","90","","90","","120","","19407","4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","sef3_14","sef3_14","","- C34 H37 Cl2 N4 P Ru -","- C34 H37 Cl2 N4 P Ru -","- C612 H666 Cl36 N72 P18 Ru18 -","18","1","","Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.","Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1276","1283","10.1039/c7dt04333c","","","0.71073","MoKα","","0.1388","0.0662","","","0.1377","0.1579","","","","","","0.963","","","","has coordinates","229524","2020-10-21","18:00:00",""
"7045140","13.1696","0.0006","17.1948","0.0008","20.3695","0.001","90","","94.836","0.003","90","","4596.2","0.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","sef3_8_0m","sef3_8_0m","","- C40 H49 B2 F8 N10 P Ru -","- C40 H49 B2 F8 N10 P Ru -","- C160 H196 B8 F32 N40 P4 Ru4 -","4","1","","Flowers, S. E.; Johnson, M. C.; Pitre, B. Z.; Cossairt, B. M.","Synthetic routes to a coordinatively unsaturated ruthenium complex supported by a tripodal, protic bis(N-heterocyclic carbene) phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1276","1283","10.1039/c7dt04333c","","x-ray","0.71073","MoKα","","0.0518","0.0413","","","0.1043","0.1135","","","","","","1.074","","","","has coordinates","229524","2020-10-21","18:00:00",""
"7045141","11.296","0.0006","15.9061","0.0009","13.4636","0.0008","90","","106.951","0.006","90","","2314","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Co N2 O4 -","- C28 H22 Co N2 O4 -","- C112 H88 Co4 N8 O16 -","4","1","","Nemec, I.; Herchel, R.; Trávníček, Z","Two polymorphic Co(ii) field-induced single-ion magnets with enormous angular distortion from the ideal octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1614","1623","10.1039/c7dt03992a","","","0.71073","MoKα","","0.0558","0.038","","","0.0791","0.0827","","","","","","1.035","","","","has coordinates","229466","2020-10-21","18:00:00",""
"7045142","17.722","0.003","14.424","0.003","9.2768","0.0013","90","","91.848","0.006","90","","2370.1","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O4 Zn -","- C28 H22 N2 O4 Zn -","- C112 H88 N8 O16 Zn4 -","4","0.5","","Nemec, I.; Herchel, R.; Trávníček, Z","Two polymorphic Co(ii) field-induced single-ion magnets with enormous angular distortion from the ideal octahedron.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1614","1623","10.1039/c7dt03992a","","","0.71073","","","0.06","0.0392","","","0.1121","0.1302","","","","","","0.964","","","","has coordinates","229466","2020-10-21","18:00:00",""
"7045145","47.1755","0.0005","47.1755","0.0005","11.69","0.0002","90","","90","","120","","22530.9","0.5","293","2","293","2","","","","","","","","5","R -3","-R 3","148","{(EV)12[Pb18Br54][Pb6.5Br19]}n","{(EV)12[Pb18Br54][Pb6.5Br19]}n","","- C168 H216 Br73 N24 Pb24.5 -","- C168 H216 Br73 N24 Pb24.5 -","- C504 H648 Br219 N72 Pb73.5 -","3","","","Sun, Cai; Du, Ming-Xiu; Xu, Jian-Gang; Mao, Fei-Fei; Wang, Ming-Sheng; Guo, Guo-Cong","A nanowire array with two types of bromoplumbate chains and high anisotropic conductance","Dalton Transactions","2018","","","","","10.1039/C7DT03679E","","","1.54178","CuKα","","0.0638","0.0501","","","0.1287","0.1385","","","","","","1.129","","","","has coordinates","204505","2020-10-21","18:00:00",""
"7045146","10.4645","0.0007","10.7912","0.0008","10.9044","0.0008","86.572","0.003","70.736","0.002","67.142","0.003","1067.83","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Fe N2 O S -","- C26 H24 Fe N2 O S -","- C52 H48 Fe2 N4 O2 S2 -","2","1","","Asghar, Faiza; Fatima, Saira; Rana, Sadaf; Badshah, Amin; Butler, Ian S.; Tahir, Muhammad Nawaz","Synthesis, spectroscopic investigation, and DFT study of N,N'-disubstituted ferrocene-based thiourea complexes as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1868","1878","10.1039/c7dt04090c","","","0.71073","MoKα","","0.0382","0.0335","","","0.0939","0.0976","","","","","","1.05","","","","has coordinates","229585","2020-10-21","18:00:00",""
"7045147","8.1898","0.0005","8.9388","0.0006","16.7878","0.001","87.381","0.005","80.708","0.005","83.888","0.005","1205.45","0.13","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Mg N2 O16 S2 -","- C18 H24 Mg N2 O16 S2 -","- C36 H48 Mg2 N4 O32 S4 -","2","1","","Liao, Jian-Zhen; Wang, Sa-Sa; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong; Chen, Xu-Lin","Coordination-driven fast self-assembly of a charge-transfer hydrogel with reversible photochromism.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1027","1031","10.1039/c7dt04276k","","x-ray","1.54184","CuKα","","0.0411","0.0386","","","0.1064","0.1084","","","","","","1.057","","","","has coordinates","229523","2020-10-21","18:00:00",""
"7045148","8.1585","0.0007","8.9229","0.0007","16.865","0.0018","87.674","0.008","80.395","0.008","83.892","0.007","1203.32","0.19","99.99","0.17","99.99","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Co N2 O16 S2 -","- C18 H24 Co N2 O16 S2 -","- C36 H48 Co2 N4 O32 S4 -","2","1","","Liao, Jian-Zhen; Wang, Sa-Sa; Wu, Xiao-Yuan; Yu, Rongmin; Lu, Can-Zhong; Chen, Xu-Lin","Coordination-driven fast self-assembly of a charge-transfer hydrogel with reversible photochromism.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1027","1031","10.1039/c7dt04276k","","x-ray","1.54184","CuKα","","0.1081","0.077","","","0.2124","0.2379","","","","","","1.053","","","","has coordinates","229523","2020-10-21","18:00:00",""
"7045149","8.4784","0.0002","17.3913","0.0005","8.5806","0.0002","90","","118.362","0.001","90","","1113.34","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 Ni -","- C12 H13 N3 Ni -","- C48 H52 N12 Ni4 -","4","1","","Cardoso, Bernardo de P; Bernard-Schaaf, Jean-Marie; Shahane, Saurabh; Veiros, Luis F.; Chetcuti, Michael J.; Ritleng, Vincent","Displacement of η<sup>5</sup>-cyclopentadienyl ligands from half-sandwich C,C-(NHC-cyanoalkyl)-nickel(ii) metallacycles: further insight into the structure of the resulting Cp-free nickelacycles and a catalytic activity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1535","1547","10.1039/c7dt04560c","","","0.71073","MoKα","","0.0347","0.026","","","0.0617","0.0648","","","","","","1.05","","","","has coordinates","229471","2020-10-21","18:00:00",""
"7045150","9.3425","0.001","13.7491","0.0015","14.2032","0.0015","80.591","0.006","86.833","0.007","82.101","0.007","1781.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 Ni -","- C20 H21 N3 Ni -","- C80 H84 N12 Ni4 -","4","2","","Cardoso, Bernardo de P; Bernard-Schaaf, Jean-Marie; Shahane, Saurabh; Veiros, Luis F.; Chetcuti, Michael J.; Ritleng, Vincent","Displacement of η<sup>5</sup>-cyclopentadienyl ligands from half-sandwich C,C-(NHC-cyanoalkyl)-nickel(ii) metallacycles: further insight into the structure of the resulting Cp-free nickelacycles and a catalytic activity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1535","1547","10.1039/c7dt04560c","","","1.54178","CuKα","","0.1173","0.0883","","","0.2462","0.2721","","","","","","1.066","","","","has coordinates","229471","2020-10-21","18:00:00",""
"7045151","27.4566","0.0006","7.3683","0.0002","14.4844","0.0003","90","","90","","90","","2930.32","0.12","280","2","280","2","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- C16 Fe N9 Pt -","- C16 Fe N9 Pt -","- C64 Fe4 N36 Pt4 -","4","0.5","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.0475","0.0462","","","0.1235","0.1252","","","","","","1.066","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7045152","27.3734","0.0007","28.6387","0.0009","7.1961","0.0002","90","","90","","90","","5641.3","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C22.5 H10.25 Fe N11.5 O2.5 Pt -","- C22.5 H12.25 Fe N11 O2.5 Pt -","- C180 H98 Fe8 N88 O20 Pt8 -","8","1","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.0616","0.0532","","","0.1446","0.1524","","","","","","1.081","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7045153","27.494","0.0013","7.2434","0.0003","14.3883","0.0009","90","","90","","90","","2865.4","0.3","150","2","150","2","","","","","","","","4","P m m a","-P 2a 2a","51","","","","- C22 Fe N11.5 Pt -","- C22 Fe N11.5 Pt -","- C88 Fe4 N46 Pt4 -","4","0.5","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.0725","0.0675","","","0.1775","0.1842","","","","","","1.069","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7045154","27.5743","0.0007","28.9781","0.0009","7.3466","0.0002","90","","90","","90","","5870.3","0.3","220","2","220","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C22.5 H15.5 Fe N11.5 O2.5 Pt -","- C22.5 H15.5 Fe N11.5 O2.5 Pt -","- C180 H124 Fe8 N92 O20 Pt8 -","8","1","","Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun","Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1407","1411","10.1039/c7dt04205a","","","1.54184","CuKα","","0.1594","0.112","","","0.2763","0.3043","","","","","","1.113","","","","has coordinates","229459","2020-10-21","18:00:00",""
"7045155","21.7637","0.0009","6.8956","0.0003","18.794","0.0007","90","","101.478","0.003","90","","2764.1","0.2","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 Ni O5 -","- C15 H12 N2 Ni O5 -","- C120 H96 N16 Ni8 O40 -","8","1","","Klaß, Michaela; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Design, synthesis, and evaluation of nickel dipyridylmethane complexes for Coordination-Induced Spin State Switching (CISSS).","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1261","1275","10.1039/c7dt03952b","","","0.71073","MoKα","","0.078","0.0559","","","0.1038","0.1121","","","","","","1.073","","","","has coordinates","229525","2020-10-21","18:00:00",""
"7045156","13.5292","0.0009","13.8175","0.0011","14.1756","0.0011","92.609","0.007","100.302","0.006","116.725","0.006","2304.7","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 N4 Ni2 O16 -","- C42 H60 N4 Ni2 O16 -","- C84 H120 N8 Ni4 O32 -","2","1","","Klaß, Michaela; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Design, synthesis, and evaluation of nickel dipyridylmethane complexes for Coordination-Induced Spin State Switching (CISSS).","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1261","1275","10.1039/c7dt03952b","","","0.71073","MoKα","","0.0769","0.05","","","0.1092","0.1201","","","","","","1.039","","","","has coordinates,has disorder","229525","2020-10-21","18:00:00",""
"7045157","11.4677","0.0002","16.1148","0.0004","15.6428","0.0004","90","","90.183","0.002","90","","2890.77","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H29.5 N5.5 Ni O5 -","- C32.5 H29.5 N5.5 Ni O5 -","- C130 H118 N22 Ni4 O20 -","4","1","","Klaß, Michaela; Krahmer, Jan; Näther, Christian; Tuczek, Felix","Design, synthesis, and evaluation of nickel dipyridylmethane complexes for Coordination-Induced Spin State Switching (CISSS).","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1261","1275","10.1039/c7dt03952b","","","0.71073","MoKα","","0.0424","0.0356","","","0.0829","0.0861","","","","","","1.041","","","","has coordinates,has disorder","229525","2020-10-21","18:00:00",""
"7045158","12.3352","0.0007","17.8423","0.0011","13.2015","0.0008","90","","102.459","0.001","90","","2837.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl3 N O2 P Ru S -","- C30 H25 Cl3 N O2 P Ru S -","- C120 H100 Cl12 N4 O8 P4 Ru4 S4 -","4","1","","Rodríguez-Lugo, R E; Chacón-Terán, M A; De León, S; Vogt, M.; Rosenthal, A. J.; Landaeta, V. R.","Synthesis, characterization and Pd(ii)-coordination chemistry of the ligand tris(quinolin-8-yl)phosphite. Application in the catalytic aerobic oxidation of amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2061","2072","10.1039/c7dt04000h","","","0.71073","MoKα","","0.0365","0.0271","","","0.0623","0.0658","","","","","","1.038","","","","has coordinates","229582","2020-10-21","18:00:00",""
"7045159","10.7868","0.0011","23.313","0.002","10.9533","0.0011","90","","92.511","0.002","90","","2751.8","0.5","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pd(P(Oquin)3}Cl2]","[Pd(P(Oquin)3}Cl2]","","- C28 H20 Cl4 N3 O3 P Pd -","- C28 H20 Cl4 N3 O3 P Pd -","- C112 H80 Cl16 N12 O12 P4 Pd4 -","4","1","","Rodríguez-Lugo, R E; Chacón-Terán, M A; De León, S; Vogt, M.; Rosenthal, A. J.; Landaeta, V. R.","Synthesis, characterization and Pd(ii)-coordination chemistry of the ligand tris(quinolin-8-yl)phosphite. Application in the catalytic aerobic oxidation of amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2061","2072","10.1039/c7dt04000h","","x-ray","0.71073","MoKα","","0.0404","0.0352","","","0.0892","0.0915","","","","","","1.046","","","","has coordinates","229582","2020-10-21","18:00:00",""
"7045160","8.361","0.0017","9.241","0.0018","23.393","0.005","90","","90.3","0.03","90","","1807.4","0.6","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 B2 N6 O2 -","- C16 H30 B2 N6 O2 -","- C64 H120 B8 N24 O8 -","4","1","","Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2009","2017","10.1039/c7dt04433j","","","0.71073","MoKα","","0.0651","0.0509","","","0.1397","0.1516","","","","","","1.038","","","","has coordinates,has disorder","229583","2020-10-21","18:00:00",""
"7045161","13.837","0.003","9.539","0.0019","15.937","0.003","90","","96.01","0.03","90","","2092","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 B2 N8 -","- C18 H36 B2 N8 -","- C72 H144 B8 N32 -","4","1","","Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2009","2017","10.1039/c7dt04433j","","","0.71073","MoKα","","0.0944","0.0546","","","0.1249","0.1423","","","","","","1.031","","","","has coordinates","229583","2020-10-21","18:00:00",""
"7045162","15.694","0.003","15.531","0.003","22.791","0.005","90","","90","","90","","5555.2","1.9","120","","120","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C17 H26 B2 Cl2 F6 N6 O6 S2 -","- C17 H26 B2 Cl2 F6 N6 O6 S2 -","- C136 H208 B16 Cl16 F48 N48 O48 S16 -","8","1","","Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2009","2017","10.1039/c7dt04433j","","","0.71073","MoKα","","0.1135","0.0526","","","0.1123","0.136","","","","","","1.01","","","","has coordinates","229583","2020-10-21","18:00:00",""
"7045163","8.71","0.0017","12.033","0.002","19.074","0.004","93.53","0.03","99.26","0.03","110.89","0.03","1827.9","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 B2 Cl4 N6 -","- C32 H38 B2 Cl4 N6 -","- C64 H76 B4 Cl8 N12 -","2","1","","Horn, Julian; Widera, Anna; Litters, Sebastian; Kaifer, Elisabeth; Himmel, Hans-Jörg","Tuning the nucleophilicity of electron-rich diborane(4) compounds with bridging guanidinate substituents by substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2009","2017","10.1039/c7dt04433j","","","0.71073","MoKα","","0.1295","0.0634","","","0.134","0.1563","","","","","","1.03","","","","has coordinates","229583","2020-10-21","18:00:00",""
"7045164","8.80293","0.00011","10.78288","0.00015","17.1646","0.0002","90","","96.4375","0.0012","90","","1619.01","0.04","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H10 N4 O6 P2 Pt -","- C12 H10 N4 O6 P2 Pt -","- C48 H40 N16 O24 P8 Pt4 -","4","0.5","","Kobayashi, Atsushi; Yamamoto, Naotaka; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Two-way vapochromism of a luminescent platinum(ii) complex with phosphonic-acid-functionalized bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1548","1556","10.1039/c7dt04324d","","","0.71075","MoKα","","0.0161","0.0158","","","0.0416","0.0417","","","","","","1.144","","","","has coordinates","229453","2020-10-21","18:00:00",""
"7045165","6.7177","0.0017","11.773","0.003","13.485","0.004","76.903","0.011","81.117","0.014","78.114","0.012","1010","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 N4 O11 P2 Pt -","- C12 H10 N4 O11 P2 Pt -","- C24 H20 N8 O22 P4 Pt2 -","2","1","","Kobayashi, Atsushi; Yamamoto, Naotaka; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Two-way vapochromism of a luminescent platinum(ii) complex with phosphonic-acid-functionalized bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1548","1556","10.1039/c7dt04324d","","","0.6889","synchrotron","","0.0367","0.0326","","","0.092","0.1087","","","","","","1.209","","","","has coordinates","229453","2020-10-21","18:00:00",""
"7045166","6.6588","0.0014","11.753","0.002","13.471","0.003","77.029","0.009","81.16","0.011","78.25","0.01","999.4","0.4","83","","83","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 N4 O11 P2 Pt -","- C12 H10 N4 O11 P2 Pt -","- C24 H20 N8 O22 P4 Pt2 -","2","1","","Kobayashi, Atsushi; Yamamoto, Naotaka; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako","Two-way vapochromism of a luminescent platinum(ii) complex with phosphonic-acid-functionalized bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1548","1556","10.1039/c7dt04324d","","","0.6889","synchrotron","","0.0327","0.0288","","","0.0806","0.0996","","","","","","1.253","","","","has coordinates","229453","2020-10-21","18:00:00",""
"7045167","8.637","0.001","20.398","0.002","18.307","0.002","90","","90","","90","","3225.3","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H33 N O19 Zn3 -","- C28 H33 N O19 Zn3 -","- C112 H132 N4 O76 Zn12 -","4","0.5","","Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei","Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1682","1692","10.1039/c7dt04696k","","","0.71073","MoKα","","0.054","0.0521","","","0.1351","0.1371","","","","","","1.164","","","","has coordinates,has disorder","229474","2020-10-21","18:00:00",""
"7045168","12.252","0.005","12.82","0.005","13.635","0.006","65.009","0.007","79.056","0.007","79.551","0.007","1893.5","1.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N O11 Zn2 -","- C25 H19 N O11 Zn2 -","- C50 H38 N2 O22 Zn4 -","2","1","","Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei","Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1682","1692","10.1039/c7dt04696k","","","0.71073","MoKα","","0.1015","0.0791","","","0.2428","0.3037","","","","","","1.226","","","","has coordinates","229474","2020-10-21","18:00:00",""
"7045169","35.966","0.006","7.1675","0.0012","22.077","0.004","90","","115.48","0.002","90","","5137.6","1.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Co5 O33 -","- C46 H44 Co5 O33 -","- C184 H176 Co20 O132 -","4","0.5","","Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei","Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1682","1692","10.1039/c7dt04696k","","","0.71073","MoKα","","0.1346","0.0812","","","0.2305","0.2784","","","","","","1.062","","","","has coordinates,has disorder","229474","2020-10-21","18:00:00",""
"7045170","17.715","0.008","21.652","0.01","7.406","0.004","90","","95.535","0.008","90","","2827","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H54 Mn5 O38 -","- C46 H54 Mn5 O38 -","- C92 H108 Mn10 O76 -","2","0.5","","Yan, Yang-Tian; Zhang, Wen-Yan; Zhang, Fang; Cao, Feng; Yang, Rui-Feng; Wang, Yao-Yu; Hou, Lei","Four new metal-organic frameworks based on diverse secondary building units: sensing and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1682","1692","10.1039/c7dt04696k","","","0.71073","MoKα","","0.0661","0.0452","","","0.1069","0.1203","","","","","","1.028","","","","has coordinates,has disorder","229474","2020-10-21","18:00:00",""
"7045171","8.1301","0.001","11.6623","0.0014","11.8071","0.0017","78.467","0.011","78.512","0.011","84.936","0.01","1073.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 N O16 P4 Zn3 -","- C9 H16 N O16 P4 Zn3 -","- C18 H32 N2 O32 P8 Zn6 -","2","1","","Ma, Yu-Juan; Han, Song-De; Mu, Ying; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Bipyridine-triggered modulation of structure and properties of zinc-diphosphonates: coordination role vs. template rule.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1650","1656","10.1039/c7dt04542e","","","0.71073","MoKα","","0.051","0.0416","","","0.0907","0.0955","","","","","","0.946","","","","has coordinates","229469","2020-10-21","18:00:00",""
"7045172","10.4871","0.0004","13.1962","0.0009","26.4829","0.0015","90","","90.505","0.004","90","","3664.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O14 P4 Zn4 -","- C24 H24 N4 O14 P4 Zn4 -","- C96 H96 N16 O56 P16 Zn16 -","4","1","","Ma, Yu-Juan; Han, Song-De; Mu, Ying; Pan, Jie; Li, Jin-Hua; Wang, Guo-Ming","Bipyridine-triggered modulation of structure and properties of zinc-diphosphonates: coordination role vs. template rule.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1650","1656","10.1039/c7dt04542e","","","0.71073","MoKα","","0.0518","0.0337","","","0.0655","0.0707","","","","","","0.921","","","","has coordinates","229469","2020-10-21","18:00:00",""
"7045173","11.7155","0.0003","12.641","0.0004","15.6649","0.0003","83.83","0.002","79.824","0.002","66.833","0.003","2097.43","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H43 B Cl3 F10 Fe P -","- C41 H43 B Cl3 F10 Fe P -","- C82 H86 B2 Cl6 F20 Fe2 P2 -","2","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","1.5418","CuKα","","0.0374","0.0357","","0.0838","0.0824","0.0838","","","","","","0.9099","","","","has coordinates","229457","2020-10-21","18:00:00",""
"7045174","10.9221","0.0001","11.1191","0.0001","17.0196","0.0002","94.9763","0.0005","95.6973","0.0005","112.976","0.0006","1875.71","0.03","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H37 B F10 Fe N2 O2 -","- C42 H37 B F10 Fe N2 O2 -","- C84 H74 B2 F20 Fe2 N4 O4 -","2","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","0.71073","MoKα","","0.0648","0.0389","","0.0926","0.0842","0.0926","","","","","","0.9372","","","","has coordinates,has disorder","229457","2020-10-21","18:00:00",""
"7045175","10.4515","0.0003","13.5721","0.0003","14.2616","0.0004","94.087","0.002","93.027","0.003","100.949","0.002","1976.56","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H23 B2 F20 Fe N2 -","- C43 H23 B2 F20 Fe N2 -","- C86 H46 B4 F40 Fe2 N4 -","2","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","1.5418","CuKα","","0.027","0.0259","","0.0664","0.0656","0.0664","","","","","","0.9856","","","","has coordinates,has disorder","229457","2020-10-21","18:00:00",""
"7045176","11.4405","0.0001","22.3759","0.0002","32.0362","0.0002","90","","90","","90","","8200.99","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H83 B2 F20 Fe N4 O1.5 -","- C88 H83 B2 F20 Fe N4 O1.5 -","- C352 H332 B8 F80 Fe4 N16 O6 -","4","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","1.54184","CuKα","","0.0428","0.0421","","","0.1252","0.1263","","","","","","1.036","","","","has coordinates,has disorder","229457","2020-10-21","18:00:00",""
"7045177","11.8245","0.0004","13.6477","0.0004","15.8558","0.0004","84.214","0.002","88.541","0.002","87.111","0.003","2541.96","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H46 B2 F20 Fe O P -","- C55 H46 B2 F20 Fe O P -","- C110 H92 B4 F40 Fe2 O2 P2 -","2","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","1.5418","CuKα","","0.0351","0.0326","","0.0822","0.0804","0.0822","","","","","","0.952","","","","has coordinates","229457","2020-10-21","18:00:00",""
"7045178","7.395","0.0003","11.3284","0.0006","12.5905","0.0009","90","","99.449","0.006","90","","1040.44","0.1","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H22 Si -","- C26 H22 Si -","- C52 H44 Si2 -","2","1","","Żak, P; Bołt, M; Kubicki, M.; Pietraszuk, C.","Highly selective hydrosilylation of olefins and acetylenes by platinum(0) complexes bearing bulky N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1903","1910","10.1039/c7dt04392a","","x-ray","0.71073","MoKα","","0.0518","0.0413","","","0.0952","0.102","","","","","","1.026","","","","has coordinates","229603","2020-10-21","18:00:00",""
"7045179","6.64183","0.00012","7.04562","0.00013","19.7073","0.0003","90","","96.4325","0.0016","90","","916.41","0.03","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Si2 -","- C18 H24 Si2 -","- C36 H48 Si4 -","2","0.5","","Żak, P; Bołt, M; Kubicki, M.; Pietraszuk, C.","Highly selective hydrosilylation of olefins and acetylenes by platinum(0) complexes bearing bulky N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1903","1910","10.1039/c7dt04392a","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.1014","0.1037","","","","","","1.052","","","","has coordinates","229603","2020-10-21","18:00:00",""
"7045180","7.73575","0.00015","11.6019","0.0002","23.8408","0.0004","90","","90.0063","0.0017","90","","2139.7","0.07","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Si2 -","- C23 H26 Si2 -","- C92 H104 Si8 -","4","1","","Żak, P; Bołt, M; Kubicki, M.; Pietraszuk, C.","Highly selective hydrosilylation of olefins and acetylenes by platinum(0) complexes bearing bulky N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1903","1910","10.1039/c7dt04392a","","x-ray","0.71073","MoKα","","0.0409","0.0349","","","0.0987","0.102","","","","","","1.048","","","","has coordinates","229603","2020-10-21","18:00:00",""
"7045181","8.4538","0.0003","9.4718","0.0002","18.2391","0.0005","96.59","0.002","94.901","0.002","112.805","0.002","1323.87","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 Si2 -","- C29 H30 Si2 -","- C58 H60 Si4 -","2","1","","Żak, P; Bołt, M; Kubicki, M.; Pietraszuk, C.","Highly selective hydrosilylation of olefins and acetylenes by platinum(0) complexes bearing bulky N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1903","1910","10.1039/c7dt04392a","","x-ray","1.54184","CuKα","","0.0412","0.0397","","","0.111","0.1125","","","","","","1.06","","","","has coordinates","229603","2020-10-21","18:00:00",""
"7045182","25.1146","0.0019","25.1146","0.0019","18.3685","0.0016","90","","90","","120","","10033.6","1.4","180","1","180","1","","","","","","","","3","R -3 :H","-R 3","148","","","","- Bi5.33 O16 Sr8 -","- Bi5.33333 O16 Sr8 -","- Bi96 O288 Sr144 -","18","1","","Yang, Yanquan; Li, Jian; Yuan, Youyou; Pan, Fengjuan; Shi, Dier; Lin, Cong; Du, Xin; Sun, Junliang","Synthesis and crystal structure of Sr<sub>3</sub>Bi<sub>2</sub>O<sub>6</sub> and structural change in the strontium-bismuth-oxide system.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1888","1894","10.1039/c7dt04610c","","","0.71073","MoKα","","0.0811","0.052","","","0.1134","0.1262","","","","","","0.994","","","","has coordinates","229580","2020-10-21","18:00:00",""
"7045183","18.238","0.01","18.238","0.01","18.238","0.01","90","","90","","90","","6066","6","100","","100","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- H0.75 N5 Na O0.375 -","- N5 Na O0.375 -","- N240 Na48 O18 -","48","1","","Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Mei, Xuefeng; Lu, Ming","Self-assembled energetic 3D metal-organic framework [Na<sub>8</sub>(N<sub>5</sub>)<sub>8</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub>n</sub> based on cyclo-N<sub>5</sub><sup/>.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1398","1401","10.1039/c7dt04501h","","","0.71073","MoKα","","0.0784","0.0606","","","0.1803","0.2027","","","","","","1.078","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7045184","9.548","0.0004","12.2023","0.0005","17.9158","0.0007","99.81","0.003","103.867","0.003","101.481","0.003","1933.07","0.14","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 F9 N2 Nd O6 -","- C34 H38 F9 N2 Nd O6 -","- C68 H76 F18 N4 Nd2 O12 -","2","1","","Xu, Mei-Xing; Meng, Yin-Shan; Xiong, Jin; Wang, Bing-Wu; Jiang, Shang-Da; Gao, Song","Magnetic anisotropy investigation on light lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1966","1971","10.1039/c7dt04351a","","x-ray","0.71","MoKα","","0.0641","0.0453","","","0.0849","0.0947","","","","","","1.07","","","","has coordinates","229601","2020-10-21","18:00:00",""
"7045185","9.5517","0.0003","12.2277","0.0004","17.9577","0.0005","99.871","0.002","103.967","0.003","101.416","0.003","1941.4","0.11","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 F9 N2 O6 Pr -","- C34 H38 F9 N2 O6 Pr -","- C68 H76 F18 N4 O12 Pr2 -","2","1","","Xu, Mei-Xing; Meng, Yin-Shan; Xiong, Jin; Wang, Bing-Wu; Jiang, Shang-Da; Gao, Song","Magnetic anisotropy investigation on light lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1966","1971","10.1039/c7dt04351a","","x-ray","0.71","MoKα","","0.0454","0.0336","","","0.069","0.0751","","","","","","1.06","","","","has coordinates","229601","2020-10-21","18:00:00",""
"7045186","9.5494","0.0003","12.2844","0.0006","17.9636","0.0005","99.984","0.003","104.048","0.003","101.288","0.003","1949.93","0.14","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Ce F9 N2 O6 -","- C34 H38 Ce F9 N2 O6 -","- C68 H76 Ce2 F18 N4 O12 -","2","1","","Xu, Mei-Xing; Meng, Yin-Shan; Xiong, Jin; Wang, Bing-Wu; Jiang, Shang-Da; Gao, Song","Magnetic anisotropy investigation on light lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1966","1971","10.1039/c7dt04351a","","x-ray","0.71073","MoKα","","0.0621","0.0433","","","0.0807","0.0921","","","","","","1.052","","","","has coordinates","229601","2020-10-21","18:00:00",""
"7045187","9.9911","0.0002","11.3232","0.0003","20.9293","0.0005","88.582","0.001","86.248","0.001","67.056","0.001","2175.76","0.09","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Ag2 N6 O6 Se2 -","- C42 H48 Ag2 N6 O6 Se2 -","- C84 H96 Ag4 N12 O12 Se4 -","2","1","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0885","0.0403","","","0.0713","0.0828","","","","","","1.012","","","","has coordinates,has disorder","229468","2020-10-21","18:00:00",""
"7045188","17.0155","0.0017","13.1699","0.0012","25.257","0.003","90","","90","","90","","5659.9","1","150","2","150","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C52 H64 Ag2 F6 N4 O8 S2 Se2 -","- C52 H64 Ag2 F6 N4 O8 S2 Se2 -","- C208 H256 Ag8 F24 N16 O32 S8 Se8 -","4","0.5","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0755","0.0438","","","0.0787","0.0887","","","","","","1.11","","","","has coordinates,has disorder","229468","2020-10-21","18:00:00",""
"7045189","31.152","0.004","8.5271","0.0012","18.229","0.003","90","","90","","90","","4842.3","1.2","150","2","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C43 H52 Ag3 N7 O10 Se2 -","- C43 H52 Ag3 N7 O10 Se2 -","- C172 H208 Ag12 N28 O40 Se8 -","4","1","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0398","0.0347","","","0.0695","0.0708","","","","","","1.152","","","","has coordinates","229468","2020-10-21","18:00:00",""
"7045190","17.6429","0.0015","12.6491","0.001","29.964","0.002","90","","94.126","0.004","90","","6669.6","0.9","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Ag2 N6 O6 Se2 -","- C54 H72 Ag2 N6 O6 Se2 -","- C216 H288 Ag8 N24 O24 Se8 -","4","0.5","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0554","0.0356","","","0.0781","0.0846","","","","","","1.036","","","","has coordinates","229468","2020-10-21","18:00:00",""
"7045191","19.3769","0.0015","16.6884","0.0012","20.722","0.002","90","","114.124","0.003","90","","6115.6","0.9","150","2","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H72 Ag F3 N4 O3 S Se2 -","- C55 H72 Ag F3 N4 O3 S Se2 -","- C220 H288 Ag4 F12 N16 O12 S4 Se8 -","4","0.5","","Perras, Justin H.; Mezibroski, Stefan M. J.; Wiebe, Matthew A.; Ritch, Jamie S.","Diverse silver(i) coordination chemistry with cyclic selenourea ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1471","1478","10.1039/c7dt04243d","","","0.71073","MoKα","","0.0455","0.0393","","","0.0937","0.0981","","","","","","1.299","","","","has coordinates,has disorder","229468","2020-10-21","18:00:00",""
"7045192","15.9214","0.0009","14.9212","0.0009","16.2057","0.001","90","","112.376","0.002","90","","3560.1","0.4","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H45.5 Cl2 Cu2 N6.5 O -","- C37 H45.5 Cl2 Cu2 N6.5 O -","- C148 H182 Cl8 Cu8 N26 O4 -","4","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0801","0.0442","","","0.0932","0.1068","","","","","","1.021","","","","has coordinates,has disorder","204673","2020-10-21","18:00:00",""
"7045193","10.107","0.006","11.96","0.007","14.061","0.012","82.27","0.04","72.09","0.03","74.94","0.02","1559","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H44 N6 O -","- C36 H44 N6 O -","- C72 H88 N12 O2 -","2","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0442","0.0362","","","0.0872","0.0922","","","","","","1.075","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045194","9.3339","0.0004","12.9707","0.0006","15.5982","0.0007","94.999","0.004","103.629","0.004","91.613","0.004","1825.96","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 Br6 Cu6 N12 O2 -","- C72 H88 Br6 Cu6 N12 O2 -","- C72 H88 Br6 Cu6 N12 O2 -","1","0.5","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0401","0.0279","","","0.0516","0.0538","","","","","","1.061","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045195","15.353","0.008","15.932","0.006","16.247","0.007","98.83","0.05","115.99","0.04","93.96","0.05","3488","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H84 Cu2 F12 N6 O3 P4 -","- C69 H84 Cu2 F12 N6 O3 P4 -","- C138 H168 Cu4 F24 N12 O6 P8 -","2","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0805","0.0524","","","0.1268","0.1458","","","","","","1.016","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045196","14.2462","0.0009","9.214","0.0005","35.166","0.002","90","","95.872","0.002","90","","4591.8","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C41 H52 Cu2 F12 N8 O P2 -","- C41 H52 Cu2 F12 N8 O P2 -","- C164 H208 Cu8 F48 N32 O4 P8 -","4","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0469","0.0347","","","0.0732","0.078","","","","","","1.031","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045197","9.4577","0.0011","13.245","0.0016","16.0086","0.0019","95.888","0.004","103.463","0.005","91.098","0.005","1938","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H88 Cu6 I6 N12 O2 -","- C72 H88 Cu6 I6 N12 O2 -","- C72 H88 Cu6 I6 N12 O2 -","1","0.5","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0249","0.0219","","","0.059","0.0608","","","","","","1.044","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045198","12.5918","0.001","12.9671","0.001","20.7089","0.0017","86.642","0.003","84.27","0.003","82.811","0.003","3334.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H70 Cu2 F12 N6 O P4 -","- C63 H70 Cu2 F12 N6 O P4 -","- C126 H140 Cu4 F24 N12 O2 P8 -","2","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0501","0.0453","","","0.1176","0.1213","","","","","","1.08","","","","has coordinates","204673","2020-10-21","18:00:00",""
"7045199","16.6002","0.0007","17.2054","0.0007","31.578","0.0017","90","","90","","90","","9019.1","0.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H57 Cl2 Cu2 N7 O10 -","- C42 H57 Cl2 Cu2 N7 O10 -","- C336 H456 Cl16 Cu16 N56 O80 -","8","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.0587","0.0452","","","0.1136","0.1228","","","","","","1.035","","","","has coordinates,has disorder","204673","2020-10-21","18:00:00",""
"7045200","10.5665","0.0007","30.175","0.002","14.7838","0.001","90","","99.611","0.002","90","","4647.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 B2 Cu2 F8 N8 O -","- C40 H50 B2 Cu2 F8 N8 O -","- C160 H200 B8 Cu8 F32 N32 O4 -","4","1","","Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.","Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","544","560","10.1039/c7dt03752j","","","0.71073","MoKα","","0.1207","0.0879","","","0.2042","0.2156","","","","","","1.1","","","","has coordinates,has disorder","288221","2023-12-11","22:20:44",""
"7045201","7.729","0.0015","8.4703","0.0017","16.521","0.003","90","","90","","90","","1081.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pb3SeO3Br4","","- Br4 O3 Pb3 Se -","- Br4 O3 Pb3 Se -","- Br16 O12 Pb12 Se4 -","4","1","","Wang, Xiaoxiao; Jiang, Xingxing; Liu, Hongming; Yang, Lei; Lin, Zheshuai; Hu, Zhanggui; Meng, Xianggao; Chen, Xingguo; Qin, Jingui","Pb<sub>3</sub>(SeO<sub>3</sub>)Br<sub>4</sub>: a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1911","1917","10.1039/c7dt04443g","","","0.71073","MoKα","","0.0426","0.0336","","","0.0611","0.0644","","","","","","0.989","","","","has coordinates","229595","2020-10-21","18:00:00",""
"7045202","5.6113","0.0003","19.4865","0.0008","17.0719","0.0007","90","","98.664","0.004","90","","1845.42","0.15","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Cu0.5 N O2.5 -","- C10 H9 Cu0.5 N O2.5 -","- C80 H72 Cu4 N8 O20 -","8","1","","Lu, Lele; Xu, Xinxin; Yan, Jiaming; Shi, Fa-Nian; Huo, Yuqiu","Oxygen vacancy rich Cu<sub>2</sub>O based composite material with nitrogen doped carbon as matrix for photocatalytic H<sub>2</sub> production and organic pollutant removal.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2031","2038","10.1039/c7dt03835f","","x-ray","0.71073","MoKα","","0.0272","0.0258","","","0.0632","0.0638","","","","","","1.107","","","","has coordinates","229592","2020-10-21","18:00:00",""
"7045203","16.823","0.002","17.659","0.002","29.175","0.004","90","","94.574","0.002","90","","8639.6","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","N0.2","","","- C42 H91 Cd2 Cl8 N28 O40 Sr2 -","- C42 H40 Cd2 Cl8 N28 O23 Sr2 -","- C168 H160 Cd8 Cl32 N112 O92 Sr8 -","4","1","","Gao, Rui Han; Hua, Zi-Yi; Chen, Kai; Xu, Jing; Zhu, Qian-Jiang; Tao, Zhu; Zhao, Jiang-Lin","Coordination supramolecular assemblies of a monohydroxycucurbit[7]uril and their potential applications in gas sorption.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1942","1947","10.1039/c7dt03361c","","","0.71073","MoKα","","0.1183","0.077","","","0.224","0.2451","","","","","","0.961","","","","has coordinates,has disorder","229596","2020-10-21","18:00:00",""
"7045204","16.856","0.006","17.205","0.007","29.292","0.01","90","","94.685","0.006","90","","8467","5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","NO.1","","","- C42 H126 Ca1.5 Cd2 Cl8 N28 O56 -","- C42 H39 Ca1.5 Cd2 Cl8 N28 O20 -","- C168 H156 Ca6 Cd8 Cl32 N112 O80 -","4","1","","Gao, Rui Han; Hua, Zi-Yi; Chen, Kai; Xu, Jing; Zhu, Qian-Jiang; Tao, Zhu; Zhao, Jiang-Lin","Coordination supramolecular assemblies of a monohydroxycucurbit[7]uril and their potential applications in gas sorption.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1942","1947","10.1039/c7dt03361c","","","0.71073","MoKα","","0.2048","0.166","","","0.4153","0.4337","","","","","","1.3","","","","has coordinates","229596","2020-10-21","18:00:00",""
"7045205","19.802","0.005","28.389","0.008","21.365","0.009","90","","109.16","0.004","90","","11345","6","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H50 As2 Na4 O104 Pr2 W21 -","- C8 H50 As2 Na4 O104 Pr2 W21 -","- C32 H200 As8 Na16 O416 Pr8 W84 -","4","0.5","","Wu, Hechen; Wan, Rong; Si, Yanan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A helical chain-like organic-inorganic hybrid arsenotungstate with color-tunable photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1958","1965","10.1039/c7dt04608a","","","0.71073","MoKα","","0.0691","0.0454","","","0.112","0.1248","","","","","","1.024","","","","has coordinates","229590","2020-10-21","18:00:00",""
"7045206","13.4385","0.0002","14.7888","0.0002","18.0161","0.0002","90","","90.136","0.0011","90","","3580.5","0.08","150","","150","","","","","","","","Research School of Chemistry","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cl Ir N2 P2 -","- C45 H44 Cl Ir N2 P2 -","- C180 H176 Cl4 Ir4 N8 P8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0316","0.023","","0.045","0.04","0.045","","","","","","0.9443","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045207","15.2362","0.0002","23.96","0.0003","15.3332","0.0001","90","","91.8919","0.0006","90","","5594.48","0.11","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H63 Cl7 N2 P2 Rh2 -","- C58 H63 Cl7 N2 P2 Rh2 -","- C232 H252 Cl28 N8 P8 Rh8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0698","0.0495","","0.1438","0.1277","0.1438","","","","","","0.9789","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045208","12.3421","0.0004","13.5109","0.0004","14.2016","0.0003","98.466","0.0019","94.79","0.002","100.272","0.0013","2290.11","0.11","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H67 Cl2 Ir N2 P2 -","- C49 H67 Cl2 Ir N2 P2 -","- C98 H134 Cl4 Ir2 N4 P4 -","2","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0792","0.0536","","0.1112","0.1026","0.1112","","","","","","1.0109","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045209","13.1881","0.0003","13.2047","0.0002","21.6283","0.0003","90","","97.0755","0.0017","90","","3737.78","0.12","150","","150","","","","","","","","Research School of Chemistry","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl Ir N2 P2 -","- C44 H38 Cl Ir N2 P2 -","- C176 H152 Cl4 Ir4 N8 P8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","1.54184","CuKα","","0.0552","0.0469","","0.1339","0.126","0.1338","","","","","","0.9862","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045210","15.2252","0.0002","23.9867","0.0004","15.3547","0.0002","90","","91.9066","0.0009","90","","5604.47","0.14","200","","200","","","","","","","","Research School of Chemistry","6","P 1 21/a 1","-P 2yab","14","","","","- C58 H63 Cl7 Ir2 N2 P2 -","- C58 H63 Cl7 Ir2 N2 P2 -","- C232 H252 Cl28 Ir8 N8 P8 -","4","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","0.71073","MoKα","","0.0692","0.0452","","0.1272","0.1043","0.1272","","","","","","0.9639","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045211","12.3051","0.0003","13.4628","0.0004","14.187","0.0003","98.375","0.002","94.854","0.002","100.425","0.002","2271.87","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H66 Cl3 Ir N2 P2 -","- C49 H66 Cl3 Ir N2 P2 -","- C98 H132 Cl6 Ir2 N4 P4 -","2","1","","Hill, Anthony F.; Ma, Chenxi; McQueen, Caitlin M. A.; Ward, Jas S.","Iridium complexes of perimidine-based N-heterocyclic carbene pincer ligands via aminal C-H activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1577","1587","10.1039/c7dt04572g","","","1.54184","CuKα","","0.0455","0.0413","","0.1159","0.1109","0.1159","","","","","","0.9975","","","","has coordinates","229450","2020-10-21","18:00:00",""
"7045212","6.56456","0.00012","15.9301","0.0003","19.5077","0.0004","90","","90","","90","","2040","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O5 Si -","- C20 H20 Fe O5 Si -","- C80 H80 Fe4 O20 Si4 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","0.71073","MoKα","","0.0306","0.0256","","","0.0618","0.0638","","","","","","1.041","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045213","9.64408","0.00012","8.0471","0.00009","21.6608","0.0002","90","","92.7335","0.0011","90","","1679.11","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H34 Fe O8 -","- C40 H34 Fe O8 -","- C80 H68 Fe2 O16 -","2","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.042","0.0381","","","0.0961","0.1002","","","","","","1.018","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045214","8.60374","0.00007","14.16447","0.00011","19.76246","0.00018","90","","90","","90","","2408.4","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Fe O8 -","- C26 H22 Fe O8 -","- C104 H88 Fe4 O32 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.0276","0.0271","","","0.0716","0.0719","","","","","","1.041","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045215","6.7299","0.00005","16.1778","0.00013","19.24565","0.00017","90","","90","","90","","2095.37","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Fe O5 Si2 -","- C17 H24 Fe O5 Si2 -","- C68 H96 Fe4 O20 Si8 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0755","0.0763","","","","","","1.052","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045216","6.66446","0.00013","16.1511","0.0003","19.242","0.0004","90","","90","","90","","2071.18","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O5 Si -","- C20 H20 Fe O5 Si -","- C80 H80 Fe4 O20 Si4 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","0.71073","MoKα","","0.0427","0.0324","","","0.0753","0.0796","","","","","","1.025","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045217","10.561","0.003","10.647","0.003","14.867","0.004","89.824","0.008","89.273","0.008","67.244","0.008","1541.4","0.7","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H33 Cl F3 N5 Ni O3 S -","- C30 H33 Cl F3 N5 Ni O3 S -","- C60 H66 Cl2 F6 N10 Ni2 O6 S2 -","2","1","","Therrien, J. A.; Wolf, M. O.; Patrick, B. O.","Synthesis and comparison of nickel, palladium, and platinum bis(N-heterocyclic carbene) pincer complexes for electrocatalytic CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1827","1840","10.1039/c7dt04089j","","x-ray","0.71073","MoKα","","0.0507","0.034","","","0.0735","0.0803","","","","","","1.015","","","","has coordinates","229597","2020-10-21","18:00:00",""
"7045218","35.7841","0.0013","18.6471","0.0006","23.5985","0.0007","90","","120.26","0.003","90","","13601.1","0.9","100","0.3","100","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H170 Mo12 N23 Nd3 O71 -","- C84 H170 Mo12 N23 Nd3 O71 -","- C336 H680 Mo48 N92 Nd12 O284 -","4","0.5","","Zhang, Hai-Long; Wu, Xiao-Yuan; Liao, Jian-Zhen; Kuang, Xiao-Fei; Yang, Wenbin; Lu, Can-Zhong","A novel trigonal propeller-shaped hybrid tri-neodymium-polyoxometalate exhibiting single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1796","1800","10.1039/c7dt04908k","","","0.71073","MoKα","","0.0374","0.0322","","","0.0756","0.078","","","","","","1.017","","","","has coordinates","229584","2020-10-21","18:00:00",""
"7045219","9.3978","0.0003","9.6284","0.0003","17.6552","0.0005","90","","90","","90","","1597.54","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cs3 O14 P4 Sr -","- Bi Cs3 O14 P4 Sr -","- Bi4 Cs12 O56 P16 Sr4 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.041","0.0314","","","0.0524","0.0571","","","","","","1.114","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045220","9.2873","0.0001","9.4292","0.0001","17.6162","0.0001","90","","90","","90","","1542.68","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Ca Cs3 O14 P4 -","- Bi Ca Cs3 O14 P4 -","- Bi4 Ca4 Cs12 O56 P16 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.0265","0.0243","","","0.0632","0.0644","","","","","","1.04","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045221","9.4243","0.0001","9.7261","0.0001","17.5291","0.0001","90","","90","","90","","1606.75","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cs3 O14 P4 Pb -","- Bi Cs3 O14 P4 Pb -","- Bi4 Cs12 O56 P16 Pb4 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.0223","0.0197","","","0.0445","0.0457","","","","","","1.047","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045222","23.907","0.005","8.452","0.0017","13.096","0.003","90","","94.44","0.03","90","","2638.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 F8 N2 Pd -","- C30 H32 F8 N2 Pd -","- C120 H128 F32 N8 Pd4 -","4","0.5","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.7085","synchrotron","","0.0282","0.0277","","","0.0709","0.0713","","","","","","1.075","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045223","10.043","0.002","16.34","0.003","26.089","0.005","90","","90","","90","","4281.3","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 F8 N2 P2 Pt -","- C48 H44 F8 N2 P2 Pt -","- C192 H176 F32 N8 P8 Pt4 -","4","1","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.7108","synchrotron","","0.0777","0.0681","","","0.1637","0.1708","","","","","","1.004","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045224","10.073","0.002","16.346","0.003","25.938","0.005","90","","90","","90","","4270.8","1.4","446","2","446","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 F8 N2 P2 Pd -","- C48 H44 F8 N2 P2 Pd -","- C192 H176 F32 N8 P8 Pd4 -","4","1","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.71073","synchrotron","","0.0274","0.0272","","","0.067","0.0671","","","","","","1.054","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045225","12.047","0.002","16.128","0.003","15.866","0.003","90","","91.31","0.03","90","","3081.9","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 F8 N2 O Pt -","- C33 H38 F8 N2 O Pt -","- C132 H152 F32 N8 O4 Pt4 -","4","1","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.7107","synchrotron","","0.0257","0.0242","","","0.0622","0.0628","","","","","","1.097","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045226","9.3555","0.0003","14.6772","0.0003","20.6011","0.0004","90","","89.668","0.002","90","","2828.74","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B N6 O2 Si W -","- C24 H35 B N6 O2 Si W -","- C96 H140 B4 N24 O8 Si4 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.","Synthesis and reactivity of an anionic allenylidene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1412","1416","10.1039/c7dt04576j","","x-ray","0.71073","MoKα","","0.0471","0.0307","","","0.0566","0.0636","","","","","","1.042","","","","has coordinates","229451","2020-10-21","18:00:00",""
"7045227","12.636","0.0004","14.8272","0.0005","16.3046","0.0006","90","","109.839","0.004","90","","2873.47","0.18","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N6 O2 Si W -","- C25 H37 B N6 O2 Si W -","- C100 H148 B4 N24 O8 Si4 W4 -","4","1","","Hill, Anthony F.; Manzano, Richard A.","Synthesis and reactivity of an anionic allenylidene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1412","1416","10.1039/c7dt04576j","","x-ray","0.71073","MoKα","","0.0525","0.0327","","","0.061","0.0708","","","","","","1.103","","","","has coordinates","229451","2020-10-21","18:00:00",""
"7045228","11.0937","0.0003","13.1532","0.0003","22.7516","0.0004","91.059","0.002","98.161","0.002","108.441","0.002","3110.38","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H80 B2 N12 O4 Si2 W2 -","- C53 H80 B2 N12 O4 Si2 W2 -","- C106 H160 B4 N24 O8 Si4 W4 -","2","1","","Hill, Anthony F.; Manzano, Richard A.","Synthesis and reactivity of an anionic allenylidene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1412","1416","10.1039/c7dt04576j","","x-ray","0.71073","MoKα","","0.0381","0.0287","","","0.0575","0.0618","","","","","","1.076","","","","has coordinates,has disorder","229451","2020-10-21","18:00:00",""
"7045229","10.3215","0.0002","18.2213","0.0006","12.2492","0.0004","90","","100.762","0.003","90","","2263.2","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6',9'-bis(pyridine)-arachno-decaborano-[10',5':5,6]-nido-decaborane","","- C12 H32 B16 N2 -","- C12 H32 B16 N2 -","- C48 H128 B64 N8 -","4","1","","Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William","Substitution of the laser borane anti-B<sub>18</sub>H<sub>22</sub> with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1709","1725","10.1039/c7dt03823b","","","0.6887","synchrotron","","0.0975","0.0866","","","0.1837","0.1884","","","","","","1.335","","","","has coordinates,has disorder","229462","2020-10-21","18:00:00",""
"7045230","9.7834","0.0004","15.4854","0.0007","12.5752","0.0004","90","","106.589","0.002","90","","1825.84","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3',8'-bis(pyridine)-arachno-octaborano-[5',6':5,6]-nido-decaborane","","- C5 H25 B18 N -","- C5 H25 B18 N -","- C20 H100 B72 N4 -","4","1","","Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William","Substitution of the laser borane anti-B<sub>18</sub>H<sub>22</sub> with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1709","1725","10.1039/c7dt03823b","","","0.71073","MoKα","","0.0658","0.0454","","","0.1116","0.1233","","","","","","0.986","","","","has coordinates","229462","2020-10-21","18:00:00",""
"7045231","9.0781","0.0006","16.8243","0.001","13.8309","0.0009","90","","95.355","0.006","90","","2103.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-(pyridine)-nido-decaborano-[6',7':5,6]-nido-decaborane","","- C10 H28 B16 N2 -","- C10 H27.502 B16 N2 -","- C40 H110.008 B64 N8 -","4","1","","Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William","Substitution of the laser borane anti-B<sub>18</sub>H<sub>22</sub> with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1709","1725","10.1039/c7dt03823b","","","0.71069","MoKα","","0.064","0.0623","","","0.145","0.1459","","","","","","1.211","","","","has coordinates,has disorder","229462","2020-10-21","18:00:00",""
"7045232","9.5876","0.0008","10.6882","0.0008","11.4414","0.001","73.923","0.005","77.187","0.005","88.805","0.004","1097.51","0.16","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","8-pyridine-nido-decaborano-[5',6':6,7]-nido-decaborane","","- C10 H30 B18 N2 -","- C10 H30 B18 N2 -","- C20 H60 B36 N4 -","2","1","","Londesborough, Michael G. S.; Dolanský, Jiří; Jelínek, Tomáš; Kennedy, John D.; Císařová, Ivana; Kennedy, Robert D.; Roca-Sanjuán, Daniel; Francés-Monerris, Antonio; Lang, Kamil; Clegg, William","Substitution of the laser borane anti-B<sub>18</sub>H<sub>22</sub> with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1709","1725","10.1039/c7dt03823b","","","1.54184","CuKα","","0.0433","0.0397","","","0.1059","0.1085","","","","","","1.04","","","","has coordinates","229462","2020-10-21","18:00:00",""
"7045233","12.3648","0.0012","12.3648","0.0012","14.547","0.003","90","","90","","120","","1926.1","0.5","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H24 Co N14 O6 -","- C18 H24 Co N14 O6 -","- C54 H72 Co3 N42 O18 -","3","0.166667","","Chen, Lei; Zhou, Jianjun; Cui, Hui-Hui; Yuan, Ai-Hua; Wang, Zhenxing; Zhang, Yi-Quan; Ouyang, Zhong-Wen; Song, You","Slow magnetic relaxation influenced by change of symmetry from ideal C<sub>i</sub> to D<sub>3d</sub> in cobalt(ii)-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2506","2510","10.1039/c7dt04651k","","","0.71073","MoKα","","0.0245","0.0235","","","0.0597","0.0603","","","","","","1.084","","","","has coordinates","229409","2020-10-21","18:00:00",""
"7045234","23.17","0.004","13.301","0.002","21.712","0.003","90","","118.421","0.002","90","","5884.8","1.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66.6 H64.9 B2 Co N12.3 -","- C66.6 H64.9 B2 Co N12.3 -","- C266.4 H259.6 B8 Co4 N49.2 -","4","0.5","","Chen, Lei; Zhou, Jianjun; Cui, Hui-Hui; Yuan, Ai-Hua; Wang, Zhenxing; Zhang, Yi-Quan; Ouyang, Zhong-Wen; Song, You","Slow magnetic relaxation influenced by change of symmetry from ideal C<sub>i</sub> to D<sub>3d</sub> in cobalt(ii)-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2506","2510","10.1039/c7dt04651k","","","0.71073","MoKα","","0.0488","0.0372","","","0.0837","0.0887","","","","","","1.04","","","","has coordinates,has disorder","229409","2020-10-21","18:00:00",""
"7045235","10.651","0.0003","10.651","0.0003","11.0943","0.0003","90","","90","","120","","1089.96","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C18 H21 Mn6 O42 Ti3 -","5","0.833333","","Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2134","2137","10.1039/c7dt04112h","","","0.71073","MoKα","","0.023","0.0215","","","0.0511","0.0517","","","","","","1.085","","","","has coordinates","229799","2020-10-21","18:00:00",""
"7045236","10.6552","0.0004","10.6552","0.0004","11.0809","0.0005","90","","90","","120","","1089.5","0.08","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C3.6 H4.2 Mn1.2 O8.4 Ti0.6 -","- C18 H21 Mn6 O42 Ti3 -","5","0.833333","","Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian","Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2134","2137","10.1039/c7dt04112h","","x-ray","0.71073","MoKα","","0.0339","0.0291","","","0.0617","0.0648","","","","","","1.001","","","","has coordinates","229799","2020-10-21","18:00:00",""
"7045237","13.2812","0.0006","22.131","0.0009","27.4033","0.0012","90","","103.714","0.002","90","","7824.9","0.6","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 N5 Ni4 O14 S5 -","- C60 H68 N5 Ni4 O14 S5 -","- C240 H272 N20 Ni16 O56 S20 -","4","1","","Hang, Xinxin; Liu, Bing; Wang, Shentang; Liu, Yunling; Liao, Wuping","A metal-calixarene coordination nanotube with 5-(pyrimidin-5-yl)isophthalic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1782","1785","10.1039/c7dt04838f","","","1.54178","CuKα","","0.0702","0.0604","","","0.1659","0.1726","","","","","","1.097","","","","has coordinates","229591","2020-10-21","18:00:00",""
"7045238","30.046","0.0012","30.046","0.0012","21.8685","0.0018","90","","90","","90","","19742","2","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C256 H236 Cl4 N16 Ni18.8 O54.8 S16 -","- C256 H232 Cl4 N16 Ni18.8 O54.8 S16 -","- C512 H464 Cl8 N32 Ni37.6 O109.6 S32 -","2","0.125","","Hang, Xinxin; Liu, Bing; Wang, Shentang; Liu, Yunling; Liao, Wuping","A metal-calixarene coordination nanotube with 5-(pyrimidin-5-yl)isophthalic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1782","1785","10.1039/c7dt04838f","","","0.71073","MoKα","","0.1028","0.0546","","","0.1485","0.1825","","","","","","1.024","","","","has coordinates,has disorder","229591","2020-10-21","18:00:00",""
"7045239","17.0424","0.0008","17.8943","0.0009","20.729","0.001","97.404","0.002","111.887","0.002","110.504","0.002","5243.8","0.5","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C174 H300 Cl4 Cu4 F12 N4 O56 Rh4 S4 -","- C164 H176 Cl4 Cu4 F12 N4 O44 Rh4 S4 -","- C164 H176 Cl4 Cu4 F12 N4 O44 Rh4 S4 -","1","0.5","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","1.54178","CuKα","","0.1463","0.1237","","","0.3516","0.361","","","","","","1.087","","","","has coordinates,has disorder","229789","2020-10-21","18:00:00",""
"7045240","17.6712","0.0013","19.6113","0.0016","28.815","0.002","94.415","0.001","102.651","0.001","112.728","0.001","8840.9","1.2","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C145 H200 Cu F18 N8 O43 Rh6 S6 -","- C137 H172 Cu F12 N8 O32 Rh6 S4 -","- C274 H344 Cu2 F24 N16 O64 Rh12 S8 -","2","1","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","0.71073","MoKα","","0.1479","0.0811","","","0.2247","0.2782","","","","","","0.965","","","","has coordinates,has disorder","229789","2020-10-21","18:00:00",""
"7045241","16.731","0.0004","17.152","0.0004","22.1104","0.0005","96.2437","0.0014","111.747","0.0013","109.098","0.0013","5374.5","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C172 H230 Cu6 F12 N10 O58 Rh4 S4 -","- C158 H182 Cu6 F6 N10 O42 Rh4 S2 -","- C158 H182 Cu6 F6 N10 O42 Rh4 S2 -","1","0.5","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","1.54178","CuKα","","0.1032","0.0813","","","0.2409","0.2557","","","","","","1.049","","","","has coordinates,has disorder","229789","2020-10-21","18:00:00",""
"7045242","18.4386","0.0014","19.878","0.0016","26.209","0.002","76.796","0.004","70.094","0.004","74.016","0.004","8586.1","1.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C135 H222 Cl2 F18 N6 O52 Rh6 S6 -","- C118 H144 Cl2 F12 N6 O28 Rh6 S4 -","- C236 H288 Cl4 F24 N12 O56 Rh12 S8 -","2","1","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","1.54178","CuKα","","0.1964","0.1796","","","0.4159","0.4294","","","","","","1.158","","","","has coordinates","229789","2020-10-21","18:00:00",""
"7045243","18.9815","0.0009","23.9885","0.0011","34.8027","0.0016","80.7437","0.0017","85.6454","0.0017","70.2326","0.0017","14715","1.2","200","2","200","","","","","","","","","9","P -1","-P 1","2","","","","- C154 H192 Cl4 Cu4 F12 N4 O45 Rh4 S4 -","- C150.667 H170.667 Cl4 Cu4 F8 N4 O37 Rh4 S2.66667 -","- C452 H512 Cl12 Cu12 F24 N12 O111 Rh12 S8 -","3","1.5","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","1.54178","CuKα","","0.1631","0.1306","","","0.3776","0.411","","","","","","1.445","","","","has coordinates,has disorder","229789","2020-10-21","18:00:00",""
"7045244","18.8853","0.0004","23.8735","0.0005","24.298","0.0005","76.1101","0.0007","73.5033","0.0007","70.7871","0.0008","9788.1","0.4","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C161 H222 Cl4 Cu4 F12 N4 O52 Rh4 S4 -","- C150 H155 Cl4 Cu4 F3 N4 O31 Rh4 S -","- C300 H310 Cl8 Cu8 F6 N8 O62 Rh8 S2 -","2","1","","Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Host-guest capability of a three-dimensional heterometallic macrocycle.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2240","2246","10.1039/c7dt04453d","","","1.54178","CuKα","","0.0675","0.0598","","","0.1807","0.189","","","","","","1.06","","","","has coordinates,has disorder","229789","2020-10-21","18:00:00",""
"7045245","31.5658","0.0012","8.118","0.0003","10.7876","0.0004","90","","90","","90","","2764.34","0.18","130","2","130","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H23 N4 Nb O15 -","- C26 H23 N4 Nb O15 -","- C104 H92 N16 Nb4 O60 -","4","1","","Shmakova, Alexandra A.; Glebov, Eugeniy M.; Korolev, Valeri V.; Stass, Dmitri V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","Photochromism in oxalatoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2247","2255","10.1039/c7dt04077f","","x-ray","0.71073","MoKα","","0.0344","0.0279","","","0.058","0.0602","","","","","","1.032","","","","has coordinates","229798","2020-10-21","18:00:00",""
"7045246","11.5308","0.0003","18.3361","0.0004","18.4899","0.0004","90","","94.233","0.002","90","","3898.65","0.16","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N6 Nb O16 -","- C42 H33 N6 Nb O16 -","- C168 H132 N24 Nb4 O64 -","4","1","","Shmakova, Alexandra A.; Glebov, Eugeniy M.; Korolev, Valeri V.; Stass, Dmitri V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","Photochromism in oxalatoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2247","2255","10.1039/c7dt04077f","","x-ray","0.71073","MoKα","","0.0693","0.0418","","","0.0767","0.0838","","","","","","1.029","","","","has coordinates","229798","2020-10-21","18:00:00",""
"7045247","8.8603","0.0005","9.5609","0.0004","17.5015","0.0008","78.475","0.004","81.023","0.004","71.048","0.004","1367.29","0.12","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 N6 Nb O15 -","- C21 H25 N6 Nb O15 -","- C42 H50 N12 Nb2 O30 -","2","1","","Shmakova, Alexandra A.; Glebov, Eugeniy M.; Korolev, Valeri V.; Stass, Dmitri V.; Benassi, Enrico; Abramov, Pavel A.; Sokolov, Maxim N.","Photochromism in oxalatoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2247","2255","10.1039/c7dt04077f","","x-ray","0.71073","MoKα","","0.0445","0.0352","","","0.08","0.0835","","","","","","1.058","","","","has coordinates","229798","2020-10-21","18:00:00",""
"7045248","16.3158","0.0006","16.3786","0.0006","16.7821","0.0006","90.953","0.001","117.978","0.001","93.352","0.001","3948.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H97 Cl2 N5 O36 V8 -","- C54 H97 Cl2 N5 O36 V8 -","- C108 H194 Cl4 N10 O72 V16 -","2","1","","Gómez, Margarita; Pastor, Antonio; Álvarez, Eleuterio; Olloqui-Sariego, José Luis; Galindo, Agustín","Halide encapsulation by dicarboxylate oxido-vanadium cage complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2183","2191","10.1039/c7dt04251e","","","0.71073","MoKα","","0.0549","0.045","","","0.1315","0.1375","","","","","","1.089","","","","has coordinates","229780","2020-10-21","18:00:00",""
"7045249","23.418","0.012","13.297","0.008","23.133","0.013","90","","90.199","0.013","90","","7203","7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 F N O16 V4 -","- C26 H48 F N O16 V4 -","- C208 H384 F8 N8 O128 V32 -","8","2","","Gómez, Margarita; Pastor, Antonio; Álvarez, Eleuterio; Olloqui-Sariego, José Luis; Galindo, Agustín","Halide encapsulation by dicarboxylate oxido-vanadium cage complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2183","2191","10.1039/c7dt04251e","","","0.71073","MoKα","","0.0819","0.0556","","","0.1584","0.1759","","","","","","1.076","","","","has coordinates","229780","2020-10-21","18:00:00",""
"7045250","14.8986","0.0004","16.7125","0.0005","17.4333","0.0005","64.285","0.001","85.785","0.001","86.132","0.001","3897.2","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H96 Cl2 N2 O32 V8 -","- C52 H96 Cl2 N2 O32 V8 -","- C104 H192 Cl4 N4 O64 V16 -","2","1","","Gómez, Margarita; Pastor, Antonio; Álvarez, Eleuterio; Olloqui-Sariego, José Luis; Galindo, Agustín","Halide encapsulation by dicarboxylate oxido-vanadium cage complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2183","2191","10.1039/c7dt04251e","","","0.71073","MoKα","","0.0703","0.0586","","","0.1652","0.1739","","","","","","1.03","","","","has coordinates,has disorder","229780","2020-10-21","18:00:00",""
"7045251","13.325","0.004","16.993","0.005","18.776","0.006","90","","94.905","0.004","90","","4236","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27.38 H18 Eu F23.42 N O8 -","- C27.248 H18 Eu F23.459 N O8 -","- C108.992 H72 Eu4 F93.836 N4 O32 -","4","1","","Xu, Hai-Bing; Chen, Xue-Li; Deng, Jian-Guo; Deng, Zhi-Hua; Huang, Shi-Liang; Kurmoo, Mohamedally; Zeng, Ming-Hua","Sensitized near infrared emission through supramolecular d →f energy transfer within an ionic Ru(ii)-Er(iii) pair.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2073","2078","10.1039/c7dt04041e","","","0.71073","MoKα","","0.1111","0.0886","","","0.2515","0.2769","","","","","","1.025","","","","has coordinates,has disorder","229588","2020-10-21","18:00:00",""
"7045252","18.085","0.006","37.766","0.012","11.71","0.004","90","","112.791","0.006","90","","7373","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H30 Er F27 N8 O10 Ru -","- C56 H30 Er F27 N8 O10 Ru -","- C224 H120 Er4 F108 N32 O40 Ru4 -","4","0.5","","Xu, Hai-Bing; Chen, Xue-Li; Deng, Jian-Guo; Deng, Zhi-Hua; Huang, Shi-Liang; Kurmoo, Mohamedally; Zeng, Ming-Hua","Sensitized near infrared emission through supramolecular d →f energy transfer within an ionic Ru(ii)-Er(iii) pair.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2073","2078","10.1039/c7dt04041e","","","0.71073","MoKα","","0.0786","0.0543","","","0.1375","0.1575","","","","","","0.941","","","","has coordinates,has disorder","229588","2020-10-21","18:00:00",""
"7045253","9.6963","0.0006","7.7917","0.0006","25.1334","0.0017","90","","96.273","0.007","90","","1887.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cu I3 N2 -","- C14 H16 Cu I3 N2 -","- C56 H64 Cu4 I12 N8 -","4","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.0621","0.0411","","","0.0918","0.106","","","","","","1.017","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045254","4.5153","0.0004","13.1452","0.001","15.7465","0.0013","90","","93.807","0.007","90","","932.56","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu2 I4 N2 -","- C12 H12 Cu2 I4 N2 -","- C24 H24 Cu4 I8 N4 -","2","0.5","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.0433","0.0352","","","0.078","0.0825","","","","","","1.051","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045255","8.8508","0.0005","11.4226","0.0005","12.8273","0.0007","83.487","0.004","79.471","0.005","83.753","0.004","1261.6","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu4 I6 N2 -","- C14 H16 Cu4 I6 N2 -","- C28 H32 Cu8 I12 N4 -","2","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","x-ray","0.71073","MoKα","","0.0536","0.0365","","","0.082","0.0943","","","","","","1.066","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045256","9.1994","0.0006","12.308","0.0007","14.8217","0.001","90","","98.66","0.006","90","","1659.07","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H40 Cu2 I8 N6 O2 -","- C12 H40 Cu2 I8 N6 O2 -","- C24 H80 Cu4 I16 N12 O4 -","2","0.5","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.0303","0.0241","","","0.0501","0.0524","","","","","","1.015","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045257","9.1833","0.0004","22.5276","0.0016","13.3199","0.0007","90","","107.183","0.005","90","","2632.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu6 I10 N4 -","- C32 H40 Cu6 I10 N4 -","- C64 H80 Cu12 I20 N8 -","2","0.5","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.1207","0.0616","","","0.1101","0.12","","","","","","1.014","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045258","17.1587","0.0008","8.5115","0.0004","22.2671","0.0012","90","","90","","90","","3252","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H17 Cu2 I3 N2 -","- C9 H17 Cu2 I3 N2 -","- C72 H136 Cu16 I24 N16 -","8","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Hong; Wang, Zi-Han; Liu, Qi-Sheng; Shahid, Malik Zeeshan; Miao, Jin-Ling; Chen, Guozhu; Li, Cuncheng","The structures, water stabilities and photoluminescence properties of two types of iodocuprate(i)-based hybrids.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2306","2317","10.1039/c7dt04558a","","","0.71073","MoKα","","0.0522","0.04","","","0.122","0.1347","","","","","","1.007","","","","has coordinates","229778","2020-10-21","18:00:00",""
"7045259","11.724","0.002","15.555","0.003","21.641","0.004","89.79","0.03","85.72","0.03","73.09","0.03","3764.8","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H55 B4 F16 Fe2 N16 O3.5 S6 -","- C68 H55 B4 F16 Fe2 N16 O3.5 S6 -","- C136 H110 B8 F32 Fe4 N32 O7 S12 -","2","1","","Li, Li; Craze, Alexander R.; Akiyoshi, Ryohei; Tsukiashi, Asami; Hayami, Shinya; Mustonen, Outi; Bhadbhade, Mohan M.; Bhattacharyya, Saroj; Marjo, Christopher E.; Wang, Yun; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Direct monitoring of spin transitions in a dinuclear triple-stranded helicate iron(ii) complex through X-ray photoelectron spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2543","2548","10.1039/c7dt04190j","","","0.71073","MoKα","","0.0424","0.0369","","","0.0944","0.0982","","","","","","1.035","","","","has coordinates,has disorder","229407","2020-10-21","18:00:00",""
"7045260","11.806","0.002","15.605","0.003","22.029","0.004","89.52","0.03","85.48","0.03","73.49","0.03","3878.6","1.4","293","2","298","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H48.6 B4 F16 Fe2 N14 O3.25 S6 -","- C64 H48 B4 F16 Fe2 N14 O3.25 S6 -","- C128 H96 B8 F32 Fe4 N28 O6.5 S12 -","2","1","","Li, Li; Craze, Alexander R.; Akiyoshi, Ryohei; Tsukiashi, Asami; Hayami, Shinya; Mustonen, Outi; Bhadbhade, Mohan M.; Bhattacharyya, Saroj; Marjo, Christopher E.; Wang, Yun; Lindoy, Leonard F.; Aldrich-Wright, Janice R; Li, Feng","Direct monitoring of spin transitions in a dinuclear triple-stranded helicate iron(ii) complex through X-ray photoelectron spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2543","2548","10.1039/c7dt04190j","","","0.71073","MoKα","","0.0804","0.0695","","","0.2157","0.2289","","","","","","1.045","","","","has coordinates,has disorder","229407","2020-10-21","18:00:00",""
"7045261","20.6575","0.001","12.7612","0.0006","17.9948","0.0009","90","","102.786","0.005","90","","4626.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H64 Dy2 N8 Ni4 O23 -","- C28 H64 Dy2 N8 Ni4 O23 -","- C112 H256 Dy8 N32 Ni16 O92 -","4","0.5","","Pei, Shaomin; Hu, Zhaobo; Chen, Zilu; Yu, Shui; Li, Bo; Liang, Yuning; Liu, Dongcheng; Yao, Di; Liang, Fupei","Heterometallic hexanuclear Ni<sub>4</sub>M<sub>2</sub> (M = Dy, Y) complexes: structure and single-molecule magnet for the Dy(iii) derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1801","1807","10.1039/c7dt04003b","","","0.71073","MoKα","","0.0308","0.0264","","","0.0565","0.059","","","","","","1.067","","","","has coordinates","229581","2020-10-21","18:00:00",""
"7045262","20.6575","0.001","12.7612","0.0006","17.9948","0.0009","90","","102.786","0.005","90","","4626.1","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H64 N8 Ni4 O23 Y2 -","- C28 H64 N8 Ni4 O23 Y2 -","- C112 H256 N32 Ni16 O92 Y8 -","4","0.5","","Pei, Shaomin; Hu, Zhaobo; Chen, Zilu; Yu, Shui; Li, Bo; Liang, Yuning; Liu, Dongcheng; Yao, Di; Liang, Fupei","Heterometallic hexanuclear Ni<sub>4</sub>M<sub>2</sub> (M = Dy, Y) complexes: structure and single-molecule magnet for the Dy(iii) derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1801","1807","10.1039/c7dt04003b","","","0.71073","MoKα","","0.0354","0.026","","","0.0572","0.0616","","","","","","1.015","","","","has coordinates","229581","2020-10-21","18:00:00",""
"7045263","10.2297","0.0007","10.7327","0.0007","14.5425","0.001","82.165","0.001","74.831","0.001","66.027","0.001","1407.28","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H74 Cl4 N4 O2 P2 Pd2 -","- C55 H74 Cl4 N4 O2 P2 Pd2 -","- C55 H74 Cl4 N4 O2 P2 Pd2 -","1","1","","Passera, Alessandro; Iuliano, Anna; Pérez-Torrente, Jesús J; Passarelli, Vincenzo","Mechanistic insights into the tropo-inversion of the biphenyl moiety in chiral bis-amido phosphites and in their palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2292","2305","10.1039/c7dt04829g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0653","0.0681","","","","","","1.069","","","","has coordinates","229788","2020-10-21","18:00:00",""
"7045264","31.361","0.004","12.9403","0.0015","33.405","0.004","90","","94.857","0.002","90","","13508","3","120.15","","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H113 Gd11 N28 O73 -","- C101 H113 Gd11 N28 O73 -","- C404 H452 Gd44 N112 O292 -","4","0.5","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Shu-Hua; Li, Yan; Zhang, Xiu-Qing; Sun, Wei-Yin; Liang, Fu-Pei","Diacylhydrazone-assembled {Ln<sub>11</sub>} nanoclusters featuring a ""double-boats conformation"" topology: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2337","2343","10.1039/c7dt03179c","","","0.71073","MoKα","","0.0917","0.0781","","","0.1824","0.191","","","","","","1.133","","","","has coordinates,has disorder","229786","2020-10-21","18:00:00",""
"7045265","31.3869","0.0005","12.88765","0.00016","33.2931","0.0004","90","","94.6758","0.0012","90","","13422.4","0.3","120.15","","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","SuperNova, Single source at offset","","- C101 H112.99 N28 O73 Tb11 -","- C101 H112.992 N28 O73 Tb11 -","- C404 H451.968 N112 O292 Tb44 -","4","0.5","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Shu-Hua; Li, Yan; Zhang, Xiu-Qing; Sun, Wei-Yin; Liang, Fu-Pei","Diacylhydrazone-assembled {Ln<sub>11</sub>} nanoclusters featuring a ""double-boats conformation"" topology: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2337","2343","10.1039/c7dt03179c","","","0.71073","MoKα","","0.0685","0.0538","","","0.1277","0.1401","","","","","","1.07","","","","has coordinates,has disorder","229786","2020-10-21","18:00:00",""
"7045266","31.3535","0.0012","12.8876","0.0005","33.2676","0.0006","90","","94.675","0.003","90","","13397.8","0.8","120.15","","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C101 H110.99 Dy11 N28 O72 -","- C101 H110.994 Dy11 N28 O72 -","- C404 H443.976 Dy44 N112 O288 -","4","0.5","","Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Shu-Hua; Li, Yan; Zhang, Xiu-Qing; Sun, Wei-Yin; Liang, Fu-Pei","Diacylhydrazone-assembled {Ln<sub>11</sub>} nanoclusters featuring a ""double-boats conformation"" topology: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2337","2343","10.1039/c7dt03179c","","","0.71073","MoKα","","0.0562","0.0487","","","0.1064","0.1117","","","","","","1.19","","","","has coordinates,has disorder","229786","2020-10-21","18:00:00",""
"7045267","18.3886","0.0003","18.3886","0.0003","23.7146","0.0009","90","","90","","120","","6944.5","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C25 H20 Cu2 O10 -","- C25 H20 Cu2 O10 -","- C150 H120 Cu12 O60 -","6","0.25","","Wang, Yao; He, Minghui; Tian, Zhi; Zhong, Haoyan; Zhu, Lisha; Zhang, Yingying; Zhang, Xiaoping; Chen, De-Li; He, Yabing","Rational construction of an ssa-type of MOF through pre-organizing the ligand's conformation and its exceptional gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2444","2452","10.1039/c7dt04867j","","","0.71073","MoKα","","0.0818","0.0597","","","0.1854","0.1973","","","","","","1.015","","","","has coordinates","229797","2020-10-21","18:00:00",""
"7045268","18.4124","0.0003","18.4124","0.0003","23.7198","0.0009","90","","90","","120","","6964.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C25 H20 Cu2 O10 -","- C25 H20 Cu2 O10 -","- C150 H120 Cu12 O60 -","6","0.25","","Wang, Yao; He, Minghui; Tian, Zhi; Zhong, Haoyan; Zhu, Lisha; Zhang, Yingying; Zhang, Xiaoping; Chen, De-Li; He, Yabing","Rational construction of an ssa-type of MOF through pre-organizing the ligand's conformation and its exceptional gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2444","2452","10.1039/c7dt04867j","","","1.34139","GaKα","","0.083","0.0577","","","0.1869","0.1967","","","","","","1.026","","","","has coordinates","229797","2020-10-21","18:00:00",""
"7045269","12.6948","0.0006","13.5073","0.0006","14.4562","0.0007","94.699","0.002","105.537","0.002","112.654","0.002","2155.71","0.18","123","","123","","","","","","","","see text","6","P -1","-P 1","2","","","","- C36 H45 Ag2 F12 N9 P2 -","- C36 H45 Ag2 F12 N9 P2 -","- C72 H90 Ag4 F24 N18 P4 -","2","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0729","0.039","","","0.0819","0.0927","","","","","","1.007","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045270","9.0008","0.0003","12.2235","0.0004","13.4457","0.0005","71.899","0.002","82.767","0.002","76.054","0.002","1362.57","0.08","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C23 H28 Ag N6 Na O7 S2 -","- C23 H28 Ag N6 Na O7 S2 -","- C46 H56 Ag2 N12 Na2 O14 S4 -","2","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0492","0.0303","","","0.0546","0.0593","","","","","","1.022","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045271","11.3664","0.0006","12.2127","0.0006","17.5641","0.0009","90","","93.028","0.002","90","","2434.7","0.2","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Cl Ir N3 O5.09 S -","- C21 H31 Cl Ir N3 O5.093 S -","- C84 H124 Cl4 Ir4 N12 O20.372 S4 -","4","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.021","0.0201","","","0.0501","0.0506","","","","","","1.208","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045272","14.9552","0.0004","15.0093","0.0004","21.7963","0.0006","90","","90","","90","","4892.6","0.2","123","","123","","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl F6 N3 P Rh -","- C22 H30 Cl F6 N3 P Rh -","- C176 H240 Cl8 F48 N24 P8 Rh8 -","8","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0497","0.0336","","","0.0669","0.0751","","","","","","1.113","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045273","10.5278","0.0002","17.4635","0.0004","13.68","0.0003","90","","93.009","0.001","90","","2511.63","0.09","123","","123","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl N3 O4 Os S -","- C22 H30 Cl N3 O4 Os S -","- C88 H120 Cl4 N12 O16 Os4 S4 -","4","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0306","0.0227","","","0.0491","0.0515","","","","","","1.04","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045274","15.0548","0.0006","14.9891","0.0006","21.8205","0.0009","90","","90","","90","","4924","0.3","123","","123","","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C22 H30 Cl F6 Ir N3 P -","- C22 H30 Cl F6 Ir N3 P -","- C176 H240 Cl8 F48 Ir8 N24 P8 -","8","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0251","0.0179","","","0.036","0.0384","","","","","","1.026","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045275","11.3895","0.0003","12.1721","0.0003","17.5563","0.0005","90","","93.134","0.001","90","","2430.26","0.11","123","","123","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 Cl N3 O5.1 Rh S -","- C21 H31 Cl N3 O5.102 Rh S -","- C84 H124 Cl4 N12 O20.408 Rh4 S4 -","4","1","","Bayón Castañón, Esther; Kaposi, Marlene; Reich, Robert M.; Kühn, Fritz E","Water-soluble transition metal complexes of ruthenium(ii), osmium(ii), rhodium(iii) and iridium(iii) with chelating N-heterocyclic carbene ligands in hydrogenation and transfer hydrogenation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2318","2329","10.1039/c7dt04684g","","x-ray","0.71073","MoKα","","0.0281","0.0237","","","0.0595","0.0617","","","","","","1.071","","","","has coordinates","229795","2020-10-21","18:00:00",""
"7045276","10.0053","0.0002","17.3101","0.0003","10.1355","0.0002","90","","101.384","0.002","90","","1720.86","0.06","190","2","190","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H22 N6 S2 -","- C13 H22 N6 S2 -","- C52 H88 N24 S8 -","4","1","","Bilyj, Jessica K.; Riley, Mark J.; Bernhardt, Paul V.","Isomerism and reactivity of nickel(ii) acetylacetonate bis(thiosemicarbazone) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2018","2030","10.1039/c7dt04337f","","x-ray","0.71073","MoKα","","0.0368","0.034","","","0.0858","0.0897","","","","","","1.057","","","","has coordinates","229598","2020-10-21","18:00:00",""
"7045277","17.8455","0.0009","7.4159","0.0006","36.322","0.002","90","","92.341","0.005","90","","4802.9","0.5","190","2","190","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 N7 Ni O2 S2 -","- C22 H25 N7 Ni O2 S2 -","- C176 H200 N56 Ni8 O16 S16 -","8","1","","Bilyj, Jessica K.; Riley, Mark J.; Bernhardt, Paul V.","Isomerism and reactivity of nickel(ii) acetylacetonate bis(thiosemicarbazone) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2018","2030","10.1039/c7dt04337f","","x-ray","1.54184","CuKα","","0.0973","0.0744","","","0.193","0.2127","","","","","","1.066","","","","has coordinates","229598","2020-10-21","18:00:00",""
"7045278","9.7994","0.0004","10.2685","0.0004","15.0143","0.0005","90","","94.369","0.002","90","","1506.43","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(?6-Ethyl 2-acetamido-3-phenylpropanoate)RuIICl2]2","","- C26 H34 Cl4 N2 O6 Ru2 -","- C26 H34 Cl4 N2 O6 Ru2 -","- C52 H68 Cl8 N4 O12 Ru4 -","2","1","","Movassaghi, Sanam; Hanif, Muhammad; Holtkamp, Hannah U.; Söhnel, Tilo; Jamieson, Stephen M. F.; Hartinger, Christian G.","Making organoruthenium complexes of 8-hydroxyquinolines more hydrophilic: impact of a novel l-phenylalanine-derived arene ligand on the biological activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2192","2201","10.1039/c7dt04451h","","x-ray","0.71073","MoKα","","0.0581","0.0362","","","0.0711","0.0805","","","","","","1.007","","","","has coordinates","229783","2020-10-21","18:00:00",""
"7045279","16.9662","0.0006","15.2357","0.0004","18.9398","0.0007","90","","115.323","0.004","90","","4425.4","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H19 F16 N5 O10 Zn2 -","- C38 H19 F16 N5 O10 Zn2 -","- C152 H76 F64 N20 O40 Zn8 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0556","0.044","","","0.1086","0.1142","","","","","","1.099","","","","has coordinates,has disorder","229246","2020-10-21","18:00:00",""
"7045280","21.5856","0.0005","7.79566","0.00019","23.7897","0.0006","90","","98.429","0.002","90","","3959.95","0.17","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C17 H12 F8 O7 Zn -","- C17 H12 F8 O7 Zn -","- C136 H96 F64 O56 Zn8 -","8","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0306","0.0252","","","0.064","0.0666","","","","","","1.033","","","","has coordinates","229246","2020-10-21","18:00:00",""
"7045281","15.6866","0.0005","21.3744","0.0007","16.2434","0.0005","90","","99.357","0.003","90","","5373.8","0.3","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H35 F16 O13.5 Zn2 -","- C44 H32 F16 O13.5 Zn2 -","- C176 H128 F64 O54 Zn8 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0697","0.0626","","","0.1776","0.1802","","","","","","1.183","","","","has coordinates,has disorder","229246","2020-10-21","18:00:00",""
"7045282","17.3682","0.0005","22.1277","0.0005","15.9011","0.0004","90","","109.715","0.003","90","","5752.9","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H18 F24 N4 O12 Zn2 -","- C62 H18 F24 N4 O12 Zn2 -","- C248 H72 F96 N16 O48 Zn8 -","4","0.5","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0491","0.0409","","","0.1043","0.1094","","","","","","1.036","","","","has coordinates,has disorder","229246","2020-10-21","18:00:00",""
"7045283","15.2883","0.0003","12.75359","0.00018","15.0763","0.0003","90","","117.835","0.003","90","","2599.47","0.11","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F8 N4 O7 Zn -","- C23 H24 F8 N4 O7 Zn -","- C92 H96 F32 N16 O28 Zn4 -","4","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","x-ray","0.71073","MoKα","","0.0344","0.0275","","","0.0684","0.0716","","","","","","1.019","","","","has coordinates","229246","2020-10-21","18:00:00",""
"7045284","9.7098","0.0019","15.254","0.003","15.257","0.003","81.81","0.03","88.66","0.03","84.56","0.03","2226.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H30 F16 N2 O12.5 Zn2 -","- C34 H12 F16 N2 O8 Zn2 -","- C68 H24 F32 N4 O16 Zn4 -","2","1","","Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.","Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3283","3297","10.1039/c7dt04566b","","","0.9699","synchrotron","","0.1551","0.1034","","","0.2467","0.2857","","","","","","1.029","","","","has coordinates","229246","2020-10-21","18:00:00",""
"7045285","12.145","0.002","12.728","0.003","8.027","0.0016","90","","90","","90","","1240.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H36 N2 O9 Ti2 -","- C20 H36 N2 O9 Ti2 -","- C40 H72 N4 O18 Ti4 -","2","0.5","","Kim, Euk Hyun; Lim, Min Hyuk; Lah, Myoung Soo; Koo, Sang Man","Synthesis and characterization of heteroleptic titanium MOCVD precursors for TiO<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2415","2421","10.1039/c7dt04894g","","","0.8","synchrotron","","0.0815","0.055","","","0.119","0.1412","","","","","","1.164","","","","has coordinates","229793","2020-10-21","18:00:00",""
"7045286","14.894","0.003","9.112","0.0018","25.58","0.005","90","","106.59","0.03","90","","3327.1","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H37 N O5 Ti -","- C19 H37 N O5 Ti -","- C114 H222 N6 O30 Ti6 -","6","3","","Kim, Euk Hyun; Lim, Min Hyuk; Lah, Myoung Soo; Koo, Sang Man","Synthesis and characterization of heteroleptic titanium MOCVD precursors for TiO<sub>2</sub> thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2415","2421","10.1039/c7dt04894g","","","0.7","synchrotron","","0.1574","0.1027","","","0.2858","0.3216","","","","","","1.066","","","","has coordinates","229793","2020-10-21","18:00:00",""
"7045287","17.2926","0.001","23.7807","0.0014","28.6217","0.0016","90","","90","","90","","11770.1","1.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C111 H149 Co4 N25 O4 -","- C111 H149 Co4 N25 O4 -","- C444 H596 Co16 N100 O16 -","4","1","","Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2052","2060","10.1039/c7dt04253a","","","0.71073","MoKα","","0.0617","0.0507","","0.1433","0.1356","0.1433","","","","","","0.9725","","","","has coordinates,has disorder","229600","2020-10-21","18:00:00",""
"7045288","16.9176","0.0004","16.9481","0.0004","17.4847","0.0004","63.744","0.001","67.357","0.001","88.247","0.001","4089.91","0.18","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H120 Cl Co2 Li3 N12 O4 Si4 -","- C66 H120 Cl Co2 Li3 N12 O4 Si4 -","- C132 H240 Cl2 Co4 Li6 N24 O8 Si8 -","2","1","","Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2052","2060","10.1039/c7dt04253a","","","0.71073","MoKα","","0.0725","0.057","","0.1674","0.1522","0.1673","","","","","","0.9919","","","","has coordinates,has disorder","229600","2020-10-21","18:00:00",""
"7045289","15.3155","0.0008","15.2918","0.0008","25.7324","0.0013","90","","92.336","0.002","90","","6021.6","0.5","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H82 Cl Co2 Li N10 O4.5 -","- C56 H82 Cl Co2 Li N10 O4.5 -","- C224 H328 Cl4 Co8 Li4 N40 O18 -","4","1","","Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2052","2060","10.1039/c7dt04253a","","","0.71073","MoKα","","0.1091","0.0824","","0.2449","0.2187","0.2447","","","","","","1.0047","","","","has coordinates,has disorder","229600","2020-10-21","18:00:00",""
"7045290","39.4116","0.0019","16.2047","0.0009","22.1375","0.0011","90","","105.412","0.003","90","","13629.8","1.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C138 H164 Co5 N30 -","- C138 H164 Co5 N30 -","- C552 H656 Co20 N120 -","4","0.5","","Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2052","2060","10.1039/c7dt04253a","","","0.71073","MoKα","","0.1044","0.0691","","0.1863","0.1708","0.1863","","","","","","0.9681","","","","has coordinates,has disorder","229600","2020-10-21","18:00:00",""
"7045292","21.051","0.004","21.361","0.004","21.402","0.004","90","","90","","90","","9624","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22.4 Na O8.7 U -","- C12 H22.4 Na O8.7 U -","- C240 H448 Na20 O174 U20 -","20","5","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","","","0.9699","synchrotron","","0.1073","0.0805","","","0.1857","0.2","","","","","","1.142","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7045293","12.39075","0.00004","12.39075","0.00004","12.39075","0.00004","90","","90","","90","","1902.36","0.011","295","","295","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","cesium tris(iso-butyrato-O,O')-dioxo-uranium(vi)","cesium tris(2-methylpropanoato-O,O')-dioxo-uranium(vi)","","- C12 H21 Cs O8 U -","- C12 H21 Cs0.999 O7.998 U0.999 -","- C48 H84 Cs3.996 O31.992 U3.996 -","4","0.333333","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0112","3.482","","","","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7045294","12.6458","0.0012","12.6458","0.0012","12.6458","0.0012","90","","90","","90","","2022.3","0.3","120","","120","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C15 H31 N O8 U -","- C15 H31 N O8 U -","- C60 H124 N4 O32 U4 -","4","0.333333","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","","","0.71073","MoKα","","0.1086","0.0773","","","0.1454","0.1657","","","","","","1.02","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7045295","12.9965","0.0012","9.7492","0.0009","13.4933","0.0013","90","","105.707","0.002","90","","1645.8","0.3","297","2","297","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H23 Bi N2 O4 -","- C30 H23 Bi N2 O4 -","- C60 H46 Bi2 N4 O8 -","2","0.5","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.0297","0.027","","","0.0641","0.065","","","","","","1.071","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045296","12.38","0.0004","19.8689","0.0008","28.0926","0.0009","90","","90.574","0.003","90","","6909.8","0.4","130.1","0.2","130.1","0.2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C64 H50 Ag2 Bi2 Cl4 F6 N4 O14 S2 -","- C64 H50 Ag2 Bi2 Cl4 F6 N4 O14 S2 -","- C256 H200 Ag8 Bi8 Cl16 F24 N16 O56 S8 -","4","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","x-ray","0.71073","MoKα","","0.1017","0.0665","","","0.1365","0.1531","","","","","","1.097","","","","has coordinates,has disorder","229401","2020-10-21","18:00:00",""
"7045297","24.937","0.01","7.1","0.003","15.414","0.006","90","","124.647","0.005","90","","2245.1","1.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H13 N O2 Sn -","- C9 H13 N O2 Sn -","- C72 H104 N8 O16 Sn8 -","8","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.0298","0.0266","","","0.0619","0.0634","","","","","","1.111","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045298","10.541","0.0006","10.8892","0.0005","16.7211","0.0007","83.744","0.004","71.929","0.004","76.436","0.004","1772.37","0.16","199.95","0.1","199.95","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C31 H25 Ag Bi Cl2 F6 N2 O4 Sb -","- C31 H25 Ag Bi Cl2 F6 N2 O4 Sb -","- C62 H50 Ag2 Bi2 Cl4 F12 N4 O8 Sb2 -","2","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","x-ray","0.71073","MoKα","","0.0607","0.0483","","","0.0948","0.1013","","","","","","1.035","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045299","9.003","0.0012","11.5252","0.0015","12.9642","0.0017","95.401","0.002","93.536","0.002","101.254","0.002","1309","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 Bi N2 O4 -","- C30 H23 Bi N2 O4 -","- C60 H46 Bi2 N4 O8 -","2","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.0408","0.0318","","","0.0572","0.0597","","","","","","0.973","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045300","6.6686","0.0009","8.9159","0.0012","10.1287","0.0013","79.674","0.002","72.196","0.002","75.429","0.002","551.5","0.13","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H13 N O2 Sn -","- C9 H13 N O2 Sn -","- C18 H26 N2 O4 Sn2 -","2","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.0243","0.0225","","","0.0569","0.0579","","","","","","1.087","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045301","13.6678","0.0005","15.1649","0.001","15.0978","0.0006","90","","102.116","0.004","90","","3059.6","0.3","160","0.1","160","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Ag Bi F3 N2 O7 S -","- C31 H23 Ag Bi F3 N2 O7 S -","- C124 H92 Ag4 Bi4 F12 N8 O28 S4 -","4","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","x-ray","0.71073","MoKα","","0.0512","0.0367","","","0.0732","0.0794","","","","","","1.034","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045302","11.0075","0.0015","16.9543","0.0016","17.883","0.002","90","","98.652","0.011","90","","3299.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Ag Bi Cl2 N3 O7 -","- C31 H25 Ag Bi Cl2 N3 O7 -","- C124 H100 Ag4 Bi4 Cl8 N12 O28 -","4","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.0992","0.0452","","","0.0908","0.1034","","","","","","0.765","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045303","16.1795","0.0006","8.7028","0.0004","29.2014","0.0012","90","","98.001","0.003","90","","4071.7","0.3","170","2","170","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Ag Bi F6 N2 O6 Sb -","- C38 H39 Ag Bi F6 N2 O6 Sb -","- C152 H156 Ag4 Bi4 F24 N8 O24 Sb4 -","4","1","","Ben Kiran, Ahmad; Mocanu, Teodora; Pöllnitz, Alpár; Shova, Sergiu; Andruh, Marius; Silvestru, Cristian","Triphenylbismuth(v) di[(iso)nicotinates] - transmetallation agents or divergent organometalloligands? First organobismuth(v)-based silver(i) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2531","2542","10.1039/c7dt04516f","","","0.71073","MoKα","","0.1067","0.0524","","","0.0956","0.113","","","","","","0.962","","","","has coordinates","229401","2020-10-21","18:00:00",""
"7045304","8.7245","0.0017","23.515","0.005","13.894","0.003","90","","91.65","0.03","90","","2849.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl2 Co N4 -","- C34 H24 Cl2 Co N4 -","- C136 H96 Cl8 Co4 N16 -","4","1","","Gabr, Moustafa T.; Pigge, F. Christopher","A fluorescent turn-on probe for cyanide anion detection based on an AIE active cobalt(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2079","2085","10.1039/c7dt04242f","","","0.71073","MoKα","","0.1158","0.0549","","","0.1256","0.1565","","","","","","0.926","","","","has coordinates","229602","2020-10-21","18:00:00",""
"7045305","14.8329","0.0004","9.6869","0.0003","23.4211","0.0007","90","","107.598","0.001","90","","3207.77","0.16","296","2","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 B10 Te -","- C8 H22 B10 Te -","- C64 H176 B80 Te8 -","8","2","","Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2453","2459","10.1039/c7dt04751g","","","1.34139","GaKα","","0.075","0.0659","","","0.182","0.1916","","","","","","1.08","","","","has coordinates","229781","2020-10-21","18:00:00",""
"7045306","14.078","0.0007","9.4598","0.0005","15.485","0.0007","90","","92.295","0.001","90","","2060.56","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 B10 O P -","- C14 H27 B10 O P -","- C56 H108 B40 O4 P4 -","4","1","","Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2453","2459","10.1039/c7dt04751g","","","0.71073","MoKα","","0.0717","0.0476","","","0.1243","0.1444","","","","","","1.042","","","","has coordinates","229781","2020-10-21","18:00:00",""
"7045307","9.7372","0.001","6.7953","0.0007","22.715","0.003","90","","98.023","0.002","90","","1488.3","0.3","130","","130","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C9 H22 B10 O -","- C9 H22 B10 O -","- C36 H88 B40 O4 -","4","1","","Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2453","2459","10.1039/c7dt04751g","","","0.71073","MoKα","","0.0733","0.0598","","","0.1574","0.1666","","","","","","1.083","","","","has coordinates","229781","2020-10-21","18:00:00",""
"7045308","9.7113","0.0018","10.502","0.002","13.566","0.003","79.777","0.004","72.418","0.003","88.988","0.003","1297","0.4","130","2","130","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H36 B10 N2 O2 Zr -","- C21 H36 B10 N2 O2 Zr -","- C42 H72 B20 N4 O4 Zr2 -","2","1","","Cui, Chun-Xiao; Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of carborane-fused carbo- and heterocycles via zirconacyclopentane intermediates.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2453","2459","10.1039/c7dt04751g","","","0.71073","MoKα","","0.075","0.0496","","","0.1243","0.144","","","","","","0.851","","","","has coordinates","229781","2020-10-21","18:00:00",""
"7045309","16.39","0.006","10.753","0.004","10.349","0.004","90","","111.528","0.005","90","","1696.7","1.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Li2 Mn O10 -","- C16 H12 Li2 Mn O10 -","- C64 H48 Li8 Mn4 O40 -","4","0.5","","Wu, Jia-Wei; Wang, Xue; Tian, Chong-Bin; Du, Shao-Wu","A new approach to fabricate the Mn(ii)-based magnetic refrigerant through incorporation of a diamagnetic {LiO<sub>4</sub>} spacer.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2143","2147","10.1039/c7dt04820c","","","0.71073","MoKα","","0.0392","0.0348","","","0.084","0.0866","","","","","","1.039","","","","has coordinates","229796","2020-10-21","18:00:00",""
"7045310","10.5238","0.0002","10.5238","0.0002","35.4237","0.0007","90","","90","","90","","3923.19","0.13","180","2","180","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C40 H46 Al2 Eu N6 -","- C40 H46 Al2 Eu N6 -","- C160 H184 Al8 Eu4 N24 -","4","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","1.54184","CuKα","","0.0616","0.0405","","","0.0702","0.0756","","","","","","1.01","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045311","10.9332","0.0003","14.2445","0.0005","11.6132","0.0004","90","","105.928","0.0004","90","","1739.18","0.1","180","2","180","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C32 H47 Al I N3 O3 Yb -","- C32 H46.5 Al I N3 O3 Yb -","- C64 H93 Al2 I2 N6 O6 Yb2 -","2","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","1.54184","CuKα","","0.0635","0.0497","","","0.129","0.14","","","","","","1.081","","","","has coordinates,has disorder","229787","2020-10-21","18:00:00",""
"7045312","9.474","0.0002","10.4528","0.0002","17.1753","0.0004","98.918","0.001","102.051","0.001","108.705","0.001","1529.62","0.06","220","2","220","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H78 Al2 Eu I2 Li2 N6 O4 -","- C56 H78 Al2 Eu I2 Li2 N6 O4 -","- C56 H78 Al2 Eu I2 Li2 N6 O4 -","1","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","0.71073","MoKα","","0.0561","0.0377","","","0.075","0.0828","","","","","","1.05","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045313","10.8508","0.0002","10.9222","0.0002","11.6496","0.0003","92.214","0.001","113.358","0.001","108.481","0.001","1180.53","0.05","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Al2 Br6 Eu N6 O2 -","- C42 H44 Al2 Br6 Eu N6 O2 -","- C42 H44 Al2 Br6 Eu N6 O2 -","1","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","0.71073","MoKα","","0.0646","0.0459","","","0.124","0.1421","","","","","","0.949","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045314","11.732","0.002","19.517","0.003","16.296","0.003","90","","96.376","0.006","90","","3708.3","1.1","199","2","199","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Al2 N6 Yb -","- C40 H46 Al2 N6 Yb -","- C160 H184 Al8 N24 Yb4 -","4","1","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","0.71073","MoKα","","0.1362","0.0652","","","0.1319","0.1585","","","","","","1","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045315","9.6229","0.0003","10.7281","0.0004","17.8161","0.0006","97.034","0.002","105.055","0.002","97.684","0.002","1736.27","0.11","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H94 Al2 I2 Li2 N6 O6 Yb -","- C64 H94 Al2 I2 Li2 N6 O6 Yb -","- C64 H94 Al2 I2 Li2 N6 O6 Yb -","1","0.5","","García-Rodríguez, Raúl; Kopf, Sara; Wright, Dominic S.","Modifying the donor properties of tris(pyridyl)aluminates in lanthanide(ii) sandwich compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2232","2239","10.1039/c7dt04657j","","","1.54184","CuKα","","0.0498","0.0431","","","0.0988","0.1045","","","","","","1.013","","","","has coordinates","229787","2020-10-21","18:00:00",""
"7045316","13.9433","0.0005","17.2555","0.0007","24.5173","0.001","99.18","0.003","99.723","0.003","103.83","0.003","5521","0.4","150.15","","150.15","","","","","","","","","8","P -1","-P 1","2","","","","- C106 H138 Cl4 Co2 N8 O P6 Si4 -","- C106 H138 Cl4 Co2 N8 O P6 Si4 -","- C212 H276 Cl8 Co4 N16 O2 P12 Si8 -","2","1","","Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2581","2588","10.1039/c7dt04155a","","","1.54186","CuKα","","0.1749","0.0949","","","0.2452","0.3026","","","","","","0.847","","","","has coordinates,has disorder","229403","2020-10-21","18:00:00",""
"7045317","13.9845","0.0014","17.415","0.002","24.858","0.003","98.767","0.009","101.053","0.008","103.86","0.008","5642.3","1.2","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H73 Cl2 Co N4 O P3 Si2 -","- C55 H73 Cl2 Co N4 O P3 Si2 -","- C220 H292 Cl8 Co4 N16 O4 P12 Si8 -","4","2","","Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2581","2588","10.1039/c7dt04155a","","","0.71073","MoKα","","0.1409","0.0838","","","0.2208","0.2695","","","","","","0.951","","","","has coordinates","229403","2020-10-21","18:00:00",""
"7045318","13.8468","0.0003","19.5827","0.0005","18.5459","0.0004","90","","103.406","0.002","90","","4891.8","0.2","150.15","","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H76 Cl3 Co N4 P2 Si2 -","- C41 H76 Cl3 Co N4 P2 Si2 -","- C164 H304 Cl12 Co4 N16 P8 Si8 -","4","1","","Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic activity of N-heterocyclic silylene (NHSi) cobalt hydride for Kumada coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2581","2588","10.1039/c7dt04155a","","x-ray","1.54186","CuKα","","0.0827","0.0466","","","0.0988","0.1097","","","","","","0.875","","","","has coordinates,has disorder","229403","2020-10-21","18:00:00",""
"7045319","9.692","0.005","21.888","0.013","14.814","0.009","90","","101.007","0.004","90","","3085","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H50 K N O7 -","- C29 H50 K N O7 -","- C116 H200 K4 N4 O28 -","4","1","","Straub, M. D.; Hohloch, S.; Minasian, S. G.; Arnold, J.","Homoleptic U(iii) and U(iv) amidate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1772","1776","10.1039/c7dt04813k","","","0.7749","synchrotron","","0.0336","0.03","","","0.0785","0.0814","","","","","","1.049","","","","has coordinates","229593","2020-10-21","18:00:00",""
"7045320","13.479","0.004","18.049","0.006","20.964","0.007","87.53","0.007","79.614","0.01","74.365","0.006","4831","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H158 K N4 O13 U -","- C92 H158 K N4 O13 U -","- C184 H316 K2 N8 O26 U2 -","2","1","","Straub, M. D.; Hohloch, S.; Minasian, S. G.; Arnold, J.","Homoleptic U(iii) and U(iv) amidate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1772","1776","10.1039/c7dt04813k","","","0.71073","MoKα","","0.0511","0.0394","","","0.0805","0.084","","","","","","1.079","","","","has coordinates","229593","2020-10-21","18:00:00",""
"7045321","13.4219","0.0005","13.6222","0.0006","21.0557","0.0009","88.668","0.002","77.566","0.002","87.76","0.002","3756.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H104 N4 O4 U -","- C68 H104 N4 O4 U -","- C136 H208 N8 O8 U2 -","2","1","","Straub, M. D.; Hohloch, S.; Minasian, S. G.; Arnold, J.","Homoleptic U(iii) and U(iv) amidate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1772","1776","10.1039/c7dt04813k","","","0.71073","MoKα","","0.0355","0.0302","","","0.0711","0.0736","","","","","","1.08","","","","has coordinates","229593","2020-10-21","18:00:00",""
"7045322","8.5547","0.0005","11.6314","0.0006","14.5948","0.0008","109.526","0.001","94.341","0.001","100.026","0.001","1333.71","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","TbL'-OMe","","","- C18 H27 N12 O11 Tb -","- C18 H27 N12 O11 Tb -","- C36 H54 N24 O22 Tb2 -","2","1","","Kachi-Terajima, Chihiro; Shimoyama, Takeru; Ishigami, Takahiro; Ikeda, Mari; Habata, Yoichi","A hemiaminal-ether structure stabilized by lanthanide complexes with an imidazole-based Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2638","2645","10.1039/c7dt04843b","","","0.71073","MoKα","","0.0313","0.026","","","0.0579","0.0601","","","","","","1.035","","","","has coordinates","229406","2020-10-21","18:00:00",""
"7045323","8.7045","0.0014","11.7591","0.0019","16.381","0.004","105.565","0.003","94.096","0.003","111.197","0.002","1479.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","TbL'-OEt","","","- C20 H33 N12 O12 Tb -","- C20 H31 N12 O12 Tb -","- C40 H62 N24 O24 Tb2 -","2","1","","Kachi-Terajima, Chihiro; Shimoyama, Takeru; Ishigami, Takahiro; Ikeda, Mari; Habata, Yoichi","A hemiaminal-ether structure stabilized by lanthanide complexes with an imidazole-based Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2638","2645","10.1039/c7dt04843b","","","0.71073","MoKα","","0.0863","0.0672","","","0.1438","0.1513","","","","","","1.167","","","","has coordinates","229406","2020-10-21","18:00:00",""
"7045324","8.8081","0.0011","11.7903","0.0015","16.345","0.002","70.9","0.002","87.672","0.002","68.502","0.002","1486.3","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","GdL'-OEt","","","- C20 H31 Gd N12 O11 -","- C20 H31 Gd N12 O11 -","- C40 H62 Gd2 N24 O22 -","2","1","","Kachi-Terajima, Chihiro; Shimoyama, Takeru; Ishigami, Takahiro; Ikeda, Mari; Habata, Yoichi","A hemiaminal-ether structure stabilized by lanthanide complexes with an imidazole-based Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2638","2645","10.1039/c7dt04843b","","","0.71073","MoKα","","0.0476","0.0443","","","0.1032","0.1046","","","","","","1.173","","","","has coordinates,has disorder","229406","2020-10-21","18:00:00",""
"7045325","8.5307","0.0011","11.6511","0.0016","14.664","0.002","109.625","0.002","94.477","0.002","100.2","0.002","1336.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","GdL'-OMe","","","- C18 H27 Gd N12 O11 -","- C18 H27 Gd N12 O11 -","- C36 H54 Gd2 N24 O22 -","2","1","","Kachi-Terajima, Chihiro; Shimoyama, Takeru; Ishigami, Takahiro; Ikeda, Mari; Habata, Yoichi","A hemiaminal-ether structure stabilized by lanthanide complexes with an imidazole-based Schiff base ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2638","2645","10.1039/c7dt04843b","","","0.71073","MoKα","","0.042","0.0333","","","0.0685","0.0717","","","","","","1.032","","","","has coordinates","229406","2020-10-21","18:00:00",""
"7045326","9.5235","0.0002","15.9622","0.0004","16.758","0.0004","114.387","0.002","97.829","0.001","99.861","0.001","2224.3","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl Ir N3 O1.5 -","- C23 H29 Cl Ir N3 O1.5 -","- C92 H116 Cl4 Ir4 N12 O6 -","4","2","","Morrow, T. J.; Christman, W. E.; Williams, J. Z.; Arulsamy, N.; Goroncy, A.; Hulley, E. B.","Ligand dynamics and protonation preferences of Rh and Ir complexes bearing an almost, but not quite, pendent base.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2670","2682","10.1039/c7dt04259k","","","0.71073","MoKα","","0.0526","0.0382","","","0.0886","0.0951","","","","","","1.059","","","","has coordinates,has disorder","229398","2020-10-21","18:00:00",""
"7045327","8.7964","0.0001","9.1641","0.0001","17.4698","0.0002","95.602","0.001","98.361","0.001","109.356","0.001","1298.4","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H17 N3 -","- C15 H17 N3 -","- C60 H68 N12 -","4","2","","Morrow, T. J.; Christman, W. E.; Williams, J. Z.; Arulsamy, N.; Goroncy, A.; Hulley, E. B.","Ligand dynamics and protonation preferences of Rh and Ir complexes bearing an almost, but not quite, pendent base.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2670","2682","10.1039/c7dt04259k","","","0.71073","MoKα","","0.0716","0.0502","","","0.124","0.1401","","","","","","1.022","","","","has coordinates","229398","2020-10-21","18:00:00",""
"7045328","10.2339","0.0001","13.4237","0.0002","16.5737","0.0002","100.03","0.002","101.556","0.002","96.792","0.002","2168.74","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H31 B F20 N3 Rh -","- C48 H31 B F20 N3 Rh -","- C96 H62 B2 F40 N6 Rh2 -","2","1","","Morrow, T. J.; Christman, W. E.; Williams, J. Z.; Arulsamy, N.; Goroncy, A.; Hulley, E. B.","Ligand dynamics and protonation preferences of Rh and Ir complexes bearing an almost, but not quite, pendent base.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2670","2682","10.1039/c7dt04259k","","","0.71073","MoKα","","0.0339","0.0289","","","0.0757","0.0795","","","","","","1.038","","","","has coordinates","229398","2020-10-21","18:00:00",""
"7045329","8.6569","0.0003","15.0992","0.0005","21.893","0.0008","90","","92.317","0.001","90","","2859.34","0.17","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Complex of ethyldi(pyridin-2-yl)phosphine oxide with copper(I) iodide","","- C24 H26 Cu2 I2 N4 O2 P2 -","- C24 H26 Cu2 I2 N4 O2 P2 -","- C96 H104 Cu8 I8 N16 O8 P8 -","4","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.0291","0.0256","","","0.0652","0.0767","","","","","","1.145","","","","has coordinates","229399","2020-10-21","18:00:00",""
"7045330","22.6984","0.0007","13.3472","0.0004","23.1883","0.0006","90","","90.862","0.001","90","","7024.3","0.4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Complex of benzyldi(pyridin-2-yl)phosphine oxide with copper(I) iodide","","- C34 H30 Cu2 I2 N4 O2 P2 -","- C34 H30 Cu2 I2 N4 O2 P2 -","- C272 H240 Cu16 I16 N32 O16 P16 -","8","1","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.0358","0.0259","","","0.0595","0.0645","","","","","","1.032","","","","has coordinates","229399","2020-10-21","18:00:00",""
"7045331","8.4316","0.0004","8.5325","0.0004","11.4693","0.0006","74.268","0.002","71.999","0.002","62.187","0.002","686.14","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Complex of methyldi(pyridin-2-yl)phosphine oxide with copper(I) thiocyanate","","- C24 H22 Cu2 N6 O2 P2 S2 -","- C24 H22 Cu2 N6 O2 P2 S2 -","- C24 H22 Cu2 N6 O2 P2 S2 -","1","0.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.0309","0.0269","","","0.0755","0.0787","","","","","","1.077","","","","has coordinates","229399","2020-10-21","18:00:00",""
"7045332","8.8655","0.001","14.2395","0.0016","14.5066","0.0016","109.975","0.005","90.384","0.005","103.193","0.005","1668.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Complex of butyldi(pyridin-2-yl)phosphine oxide with copper(I) thiocyanate","","- C30 H34 Cu2 N6 O2 P2 S2 -","- C30 H34 Cu2 N6 O2 P2 S2 -","- C60 H68 Cu4 N12 O4 P4 S4 -","2","1","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.1384","0.0834","","","0.1904","0.2095","","","","","","1.066","","","","has coordinates","229399","2020-10-21","18:00:00",""
"7045333","9.9811","0.0004","18.1601","0.0008","19.7982","0.0009","71.782","0.002","80.077","0.002","84.603","0.002","3354.6","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.33 H56 Cu2 I2 N4.67 O2 P2 -","- C39.3333 H56 Cu2 I2 N4.66667 O2 P2 -","- C118 H168 Cu6 I6 N14 O6 P6 -","3","1.5","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.1018","0.075","","","0.182","0.1986","","","","","","1.089","","","","has coordinates","229399","2020-10-21","18:00:00",""
"7045334","12.842","0.0009","19.17","0.0012","20.167","0.0013","111.493","0.003","94.25","0.003","108.188","0.003","4287.8","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","bis[(Naphthalen-1-ylmethyl)di(pyridin-2-yl)phosphine oxide]-bis(m2-iodo)-di-copper","","- C42 H34 Cu2 I2 N4 O2 P2 -","- C42 H34 Cu2 I2 N4 O2 P2 -","- C168 H136 Cu8 I8 N16 O8 P8 -","4","2","","Artem'ev, Alexander V.; Ryzhikov, Maxim R.; Taidakov, Ilya V.; Rakhmanova, Mariana I.; Varaksina, Evgenia A.; Bagryanskaya, Irina Yu; Malysheva, Svetlana F.; Belogorlova, Nataliya A.","Bright green-to-yellow emitting Cu(i) complexes based on bis(2-pyridyl)phosphine oxides: synthesis, structure and effective thermally activated-delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2701","2710","10.1039/c7dt04758d","","","0.71073","MoKα","","0.1673","0.0873","","","0.1821","0.2381","","","","","","1.046","","","","has coordinates,has disorder","229399","2020-10-21","18:00:00",""
"7045335","15.55","0.002","19.5","0.002","20.14","0.0013","90","","90","","90","","6107","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Cl3 F6 N2 O Pd -","- C30 H23 Cl3 F6 N2 O Pd -","- C240 H184 Cl24 F48 N16 O8 Pd8 -","8","1","","Rosar, V.; Meduri, A.; Montini, T.; Fornasiero, P.; Zangrando, E.; Milani, B.","The contradictory effect of the methoxy-substituent in palladium-catalyzed ethylene/methyl acrylate cooligomerization.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2778","2790","10.1039/c7dt04465h","","","0.7","synchrotron","","0.0791","0.0741","","","0.201","0.2049","","","","","","1.069","","","","has coordinates","229396","2020-10-21","18:00:00",""
"7045336","10.6095","0.0006","11.7334","0.0007","12.4455","0.0007","96.8996","0.0019","98.3065","0.0019","113.67","0.0018","1376.67","0.14","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H44 Cl6 F4 Ir2 N6 O2 -","- C61 H44 Cl6 F4 Ir2 N6 O2 -","- C61 H44 Cl6 F4 Ir2 N6 O2 -","1","0.5","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.037","0.027","","","0.0583","0.0607","","","","","","1.059","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045337","16.581","0.0008","17.1571","0.0009","19.9803","0.001","82.3655","0.0016","83.9971","0.0017","89.703","0.0017","5602.5","0.5","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C120.25 H104 Cl4.5 D4.5 F18 Ir2 N6 O6 -","- C120.25 H104 Cl4.5 D4.5 F18 Ir2 N6 O6 -","- C240.5 H208 Cl9 D9 F36 Ir4 N12 O12 -","2","1","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0616","0.0363","","","0.0737","0.0831","","","","","","1.045","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045338","16.3594","0.0014","17.7516","0.0014","18.4512","0.0015","66.269","0.003","77.005","0.003","64.469","0.003","4417.7","0.6","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C89 H82 Cl10 F6 Ir2 N6 O2 -","- C89 H82 Cl10 F6 Ir2 N6 O2 -","- C178 H164 Cl20 F12 Ir4 N12 O4 -","2","1","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0647","0.0387","","","0.0854","0.0972","","","","","","1.027","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045339","12.831","0.0008","13.3678","0.0008","27.8367","0.0016","101.881","0.0019","93.1589","0.0019","109.745","0.0019","4357.2","0.5","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H76 Cl4 F10 Ir2 N6 O2 -","- C95.9 H75.8 Cl4 F10 Ir2 N6 O2 -","- C191.8 H151.6 Cl8 F20 Ir4 N12 O4 -","2","1","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0861","0.0624","","","0.1269","0.135","","","","","","1.283","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045340","24.6611","0.0012","13.3724","0.0006","15.014","0.0007","90","","94.6047","0.0015","90","","4935.3","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H38 F8 Ir2 N6 O4 -","- C60 H38 F8 Ir2 N6 O4 -","- C240 H152 F32 Ir8 N24 O16 -","4","0.5","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0276","0.02","","","0.0404","0.0424","","","","","","1.025","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045341","11.7982","0.0005","23.4916","0.001","19.1919","0.0008","90","","101.136","0.0014","90","","5219","0.4","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H38 F8 Ir2 N6 O4 -","- C60 H38 F8 Ir2 N6 O4 -","- C240 H152 F32 Ir8 N24 O16 -","4","1","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0629","0.036","","","0.0594","0.0661","","","","","","1.044","","","","has coordinates,has disorder","205481","2020-10-21","18:00:00",""
"7045342","32.9387","0.0017","32.9387","0.0017","8.6913","0.0004","90","","90","","90","","9429.7","0.8","120","","120","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C58 H32 F10 Ir2 N6 O2 -","- C58 H32 F10 Ir2 N6 O2 -","- C464 H256 F80 Ir16 N48 O16 -","8","","","Congrave, Daniel G.; Hsu, Yu-Ting; Batsanov, Andrei S.; Beeby, Andrew; Bryce, Martin R.","Sky-blue emitting bridged diiridium complexes: beneficial effects of intramolecular π‒π stacking","Dalton Transactions","2018","","","","","10.1039/C7DT04201A","","x-ray","0.71073","MoKα","","0.0566","0.0328","","","0.0515","0.0556","","","","","","1.174","","","","has coordinates","205481","2020-10-21","18:00:00",""
"7045343","10.2266","0.0002","17.8388","0.0004","17.6539","0.0004","90","","90.857","0.002","90","","3220.25","0.12","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Bi Br8 N3 -","- C21 H30 Bi Br8 N3 -","- C84 H120 Bi4 Br32 N12 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bromine-rich complexes of bismuth: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2683","2689","10.1039/c7dt04779g","","x-ray","0.71073","MoKα","","0.0425","0.0277","","","0.0546","0.0591","","","","","","1.02","","","","has coordinates","229395","2020-10-21","18:00:00",""
"7045344","8.3504","0.0003","14.0462","0.0008","19.2571","0.0006","90","","90","","90","","2258.69","0.17","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H16 Bi Br7 N2 -","- C13 H16 Bi Br7 N2 -","- C52 H64 Bi4 Br28 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bromine-rich complexes of bismuth: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2683","2689","10.1039/c7dt04779g","","x-ray","0.71073","MoKα","","0.0369","0.0264","","","0.0488","0.0517","","","","","","1.087","","","","has coordinates","229395","2020-10-21","18:00:00",""
"7045345","20.2722","0.0007","7.6512","0.0003","28.2787","0.0009","90","","90","","90","","4386.2","0.3","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Bi Br7 Cl2 N2 -","- C10 H10 Bi Br7 Cl2 N2 -","- C80 H80 Bi8 Br56 Cl16 N16 -","8","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Bromine-rich complexes of bismuth: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2683","2689","10.1039/c7dt04779g","","x-ray","0.71073","MoKα","","0.0786","0.0498","","","0.1165","0.1312","","","","","","1.046","","","","has coordinates","229395","2020-10-21","18:00:00",""
"7045346","13.6524","0.0004","27.8481","0.001","8.855","0.0003","90","","90","","90","","3366.61","0.19","100","2","100.03","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C19 H27 Fe N Si -","- C19 H27 Fe N Si -","- C152 H216 Fe8 N8 Si8 -","8","1","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0276","0.025","","","0.0581","0.0592","","","","","","1.046","","","","has coordinates","205519","2020-10-21","18:00:00",""
"7045347","11.3371","0.0002","11.3371","0.0002","23.9716","0.0004","90","","90","","120","","2668.28","0.08","100","2","100","2","","","","","","","","6","R -3 m","-R 3 2""","166","","","","- C12 H18 B12 Cl12 Fe N6 -","- C12 H18 B12 Cl12 Fe N6 -","- C36 H54 B36 Cl36 Fe3 N18 -","3","","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0281","0.0238","","","0.0616","0.0632","","","","","","1.143","","","","has coordinates,has disorder","205519","2020-10-21","18:00:00",""
"7045348","7.473","0.005","9.66","0.007","12.93","0.009","76.909","0.016","81.91","0.02","80.681","0.014","891.9","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H23 Au Cl Fe P Si -","- C15 H23 Au Cl Fe P Si -","- C30 H46 Au2 Cl2 Fe2 P2 Si2 -","2","1","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0185","0.0154","","","0.033","0.0338","","","","","","1.062","","","","has coordinates","205519","2020-10-21","18:00:00",""
"7045349","11.5252","0.0005","26.6215","0.001","18.4948","0.0007","90","","91.736","0.003","90","","5671.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H53 B F20 Fe2 N2 Si2 -","- C62 H53 B F20 Fe2 N2 Si2 -","- C248 H212 B4 F80 Fe8 N8 Si8 -","4","1","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.1208","0.0555","","","0.1201","0.1506","","","","","","1.011","","","","has coordinates","205519","2020-10-21","18:00:00",""
"7045350","17.9405","0.0003","24.5421","0.0004","14.0694","0.0002","90","","90","","90","","6194.72","0.17","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H18 B2 F40 Fe N6 -","- C60 H18 B2 F40 Fe N6 -","- C240 H72 B8 F160 Fe4 N24 -","4","0.5","","Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian","New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes","Dalton Transactions","2018","","","","","10.1039/C7DT04593J","","","0.71073","MoKα","","0.0388","0.0298","","","0.0673","0.0713","","","","","","1.038","","","","has coordinates,has disorder","205519","2020-10-21","18:00:00",""
"7045351","26.444","0.003","28.562","0.003","29.277","0.003","90","","90","","90","","22113","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H83 Mo19 N12 Na O55 -","- C60 H60 Mo19 N12 Na O54.99 -","- C480 H480 Mo152 N96 Na8 O439.92 -","8","1","","Xu, Xian; Luo, Ben-Long; Wang, Lu-Lu; Xu, Li","An unprecedented nanocage-like and heterometallic [MoO<sub>4</sub>]-polyoxomolybdate hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3218","3222","10.1039/c7dt04309k","","","0.71073","MoKα","","0.043","0.0399","","","0.1046","0.1067","","","","","","1.13","","","","has coordinates","229255","2020-10-21","18:00:00",""
"7045352","25.344","0.013","13.358","0.006","25.863","0.013","90","","112.772","0.007","90","","8073","7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Mo13 N8 O51 P4 Zn -","- C40 H40 Mo13 N8 O51 P4 Zn -","- C160 H160 Mo52 N32 O204 P16 Zn4 -","4","1","","Xu, Xian; Luo, Ben-Long; Wang, Lu-Lu; Xu, Li","An unprecedented nanocage-like and heterometallic [MoO<sub>4</sub>]-polyoxomolybdate hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3218","3222","10.1039/c7dt04309k","","","0.71073","MoKα","","0.0917","0.0736","","","0.1438","0.1539","","","","","","1.187","","","","has coordinates","229255","2020-10-21","18:00:00",""
"7045353","6.1957","0.0006","15.4084","0.0014","19.6221","0.0019","98.194","0.002","91.55","0.002","100.009","0.002","1823.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N2 O6 Zn -","- C40 H50 N2 O6 Zn -","- C80 H100 N4 O12 Zn2 -","2","1","","Xiao, Zhi-Zun; Han, Li-Juan; Wang, Zhong-Jie; Zheng, He-Gen","Three Zn(ii)-based MOFs for luminescence sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3298","3302","10.1039/c7dt04659f","","","0.71073","MoKα","","0.0707","0.0588","","","0.1537","0.1605","","","","","","1.05","","","","has coordinates","229238","2020-10-21","18:00:00",""
"7045354","9.2019","0.0004","13.4743","0.0006","25.3334","0.001","90","","90.4121","0.0011","90","","3141","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 N2 O8 Zn -","- C33 H37 N2 O8 Zn -","- C132 H148 N8 O32 Zn4 -","4","1","","Xiao, Zhi-Zun; Han, Li-Juan; Wang, Zhong-Jie; Zheng, He-Gen","Three Zn(ii)-based MOFs for luminescence sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3298","3302","10.1039/c7dt04659f","","","0.71073","MoKα","","0.0456","0.0352","","","0.0883","0.0935","","","","","","1.028","","","","has coordinates,has disorder","229238","2020-10-21","18:00:00",""
"7045355","15.8925","0.0014","20.4648","0.0019","21.081","0.002","90","","106.82","0.001","90","","6563","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N O7 S Zn -","- C30 H28 N O7 S Zn -","- C240 H224 N8 O56 S8 Zn8 -","8","1","","Xiao, Zhi-Zun; Han, Li-Juan; Wang, Zhong-Jie; Zheng, He-Gen","Three Zn(ii)-based MOFs for luminescence sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3298","3302","10.1039/c7dt04659f","","","0.71073","MoKα","","0.0793","0.0528","","","0.1383","0.1524","","","","","","1.063","","","","has coordinates","229238","2020-10-21","18:00:00",""
"7045356","20.9243","0.0001","20.9243","0.0001","23.8905","0.0002","90","","90","","90","","10459.9","0.11","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H76 Cl2 N4 Si2 -","- C54 H76 Cl2 N4 Si2 -","- C432 H608 Cl16 N32 Si16 -","8","0.5","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.046","0.0404","","","0.1075","0.1149","","","","","","1.029","","","","has coordinates","229791","2020-10-21","18:00:00",""
"7045357","16.9139","0.0004","6.7397","0.0001","24.2997","0.0006","90","","95.84","0.002","90","","2755.66","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl2 N2 Si -","- C27 H38 Cl2 N2 Si -","- C108 H152 Cl8 N8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.0495","0.0389","","","0.0954","0.1044","","","","","","1.042","","","","has coordinates","229791","2020-10-21","18:00:00",""
"7045358","11.8229","0.0003","6.6869","0.0001","16.5376","0.0004","90","","91.272","0.002","90","","1307.12","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Cl N2 Si -","- C27 H37 Cl N2 Si -","- C54 H74 Cl2 N4 Si2 -","2","1","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.0389","0.0372","","","0.0904","0.0915","","","","","","1.027","","","","has coordinates,has disorder","229791","2020-10-21","18:00:00",""
"7045359","11.2116","0.0002","17.7148","0.0003","18.6404","0.0003","90","","90","","90","","3702.19","0.11","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C33 H56 Cl N3 Si3 -","- C33 H56 Cl N3 Si3 -","- C132 H224 Cl4 N12 Si12 -","4","1","","Xiong, Yun; Yao, Shenglai; Kostenko, Arseni; Driess, Matthias","An isolable β-diketiminato chlorosilylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2152","2155","10.1039/c8dt00121a","","","1.54184","CuKα","","0.0291","0.0285","","","0.075","0.0758","","","","","","1.038","","","","has coordinates,has disorder","229791","2020-10-21","18:00:00",""
"7045360","13.086","0.009","18.293","0.011","13.57","0.008","90","","94.875","0.01","90","","3237","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H58 N4 O14 Zn4 -","- C48 H58 N4 O14 Zn4 -","- C96 H116 N8 O28 Zn8 -","2","1","","Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Construction of unprecedented pillar-layered metal organic frameworks via a dual-ligand strategy for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4032","4035","10.1039/c7dt04484d","","","0.71073","MoKα","","0.1173","0.0747","","","0.2045","0.2527","","","","","","0.766","","","","has coordinates","230046","2020-10-21","18:00:00",""
"7045361","13.606","0.003","14.404","0.003","23.214","0.005","90","","90","","90","","4549.5","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 Co N2 O11 Zn2 -","- C33 H45 Co N2 O11 Zn2 -","- C132 H180 Co4 N8 O44 Zn8 -","4","1","","Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Construction of unprecedented pillar-layered metal organic frameworks via a dual-ligand strategy for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4032","4035","10.1039/c7dt04484d","","","0.71073","MoKα","","0.0686","0.0642","","","0.2227","0.2302","","","","","","0.925","","","","has coordinates","230046","2020-10-21","18:00:00",""
"7045362","26.0789","0.0005","22.3894","0.0005","13.9388","0.0003","90","","90","","90","","8138.7","0.3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C79 H99 Co3 N7 O25 -","- C56 H32 Co3 O16 -","- C224 H128 Co12 O64 -","4","0.5","","Wu, Zhao-Feng; Tan, Bin; Ma, Wen; Xiong, Wei-Wei; Xie, Zai-Lai; Huang, Xiao-Ying","Mg<sup>2+</sup> incorporated Co-based MOF precursors for hierarchical CNT-containing porous carbons with ORR activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2810","2819","10.1039/c7dt04354f","","","0.71073","MoKα","","0.0739","0.0469","","","0.1143","0.1221","","","","","","1.009","","","","has coordinates","229400","2020-10-21","18:00:00",""
"7045363","26.0566","0.0007","22.3986","0.0006","13.8669","0.0004","90","","90","","90","","8093.2","0.4","295","2","295","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C77 H96 Co2 Mg N6 O25 -","- C56 H32 Co2 Mg O16 -","- C224 H128 Co8 Mg4 O64 -","4","0.5","","Wu, Zhao-Feng; Tan, Bin; Ma, Wen; Xiong, Wei-Wei; Xie, Zai-Lai; Huang, Xiao-Ying","Mg<sup>2+</sup> incorporated Co-based MOF precursors for hierarchical CNT-containing porous carbons with ORR activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2810","2819","10.1039/c7dt04354f","","","0.71073","MoKα","","0.0613","0.0497","","","0.1363","0.1455","","","","","","1.018","","","","has coordinates","229400","2020-10-21","18:00:00",""
"7045364","11.5322","0.0002","11.5322","0.0002","9.3666","0.0004","90","","90","","90","","1245.68","0.06","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C5 K6 Mo3 N5 Re3 Se8 -","- C5 K6 Mo3 N5 Re3 Se8 -","- C10 K12 Mo6 N10 Re6 Se16 -","2","0.125","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.","Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3366","3377","10.1039/c7dt03571c","","","0.71073","MoKα","","0.0413","0.0362","","","0.0802","0.0817","","","","","","1.201","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045365","12.3663","0.0003","13.123","0.0003","16.9407","0.0004","110.043","0.0008","95.9443","0.0009","101.654","0.0008","2484.45","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H86 Mo3 N8 P4 Re3 Se8 -","- C106 H86 Mo3 N8 P4 Re3 Se8 -","- C106 H86 Mo3 N8 P4 Re3 Se8 -","1","0.5","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.","Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3366","3377","10.1039/c7dt03571c","","x-ray","0.71073","MoKα","","0.036","0.0254","","","0.0521","0.0554","","","","","","1.028","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045366","9.9219","0.0002","9.9219","0.0002","19.6531","0.0005","90","","90","","120","","1675.53","0.06","130","2","130","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C6 Cs5 Mo3 N6 O Re3 Se8 -","- C6 Cs5 Mo3 N6 O Re3 Se8 -","- C12 Cs10 Mo6 N12 O2 Re6 Se16 -","2","0.166667","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.","Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3366","3377","10.1039/c7dt03571c","","x-ray","0.71073","MoKα","","0.0509","0.0462","","","0.0922","0.0935","","","","","","1.305","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045367","15.7344","0.0002","15.7344","0.0002","15.7344","0.0002","90","","90","","90","","3895.39","0.09","130","2","130","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C6 K5 Mo3 N6 O11 Re3 Se8 -","- C6 K5.0008 Mo3 N6 O11 Re3 Se8 -","- C24 K20.0032 Mo12 N24 O44 Re12 Se32 -","4","0.0208333","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Ryzhikov, Maxim R.; Novozhilov, Igor N.; Samsonenko, Denis G.; Piryazev, Dmitry A.; Yanshole, Vadim V.; Naumov, Nikolay G.","Mixed-metal clusters with a {Re<sub>3</sub>Mo<sub>3</sub>Se<sub>8</sub>} core: from a polymeric solid to soluble species with multiple redox transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3366","3377","10.1039/c7dt03571c","","x-ray","0.71073","MoKα","","0.0252","0.0245","","","0.0794","0.0798","","","","","","1.384","","","","has coordinates","229254","2020-10-21","18:00:00",""
"7045368","7.2898","0.0003","11.2179","0.0005","15.9281","0.0006","90","","100.977","0.002","90","","1278.71","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4-bromophenyl)((1E,5Z)-cycloocta-1,5-dien-1-yl)methanone","","- C15 H15 Br O -","- C15 H15 Br O -","- C60 H60 Br4 O4 -","4","1","","Wandler, Angela E. E.; Koos, Martin R. M.; Nieger, Martin; Luy, Burkhard; Bräse, Stefan","1,5-Cyclooctadienyl alcohols and ketones generate a new class of COD Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3689","3692","10.1039/c8dt00075a","","","1.54178","CuKα","","0.0376","0.0329","","","0.0866","0.0891","","","","","","1.048","","","","has coordinates","230009","2020-10-21","18:00:00",""
"7045369","15.9169","0.001","12.7655","0.0009","13.2994","0.001","90","","99.665","0.002","90","","2663.9","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(1-((1E,5Z)-Cycloocta-1,5-dien-1-yl)-2-methylpropanon)platinum(II) chloride","","- C12 H18 Cl2 O Pt -","- C12 H18 Cl2 O Pt -","- C96 H144 Cl16 O8 Pt8 -","8","1","","Wandler, Angela E. E.; Koos, Martin R. M.; Nieger, Martin; Luy, Burkhard; Bräse, Stefan","1,5-Cyclooctadienyl alcohols and ketones generate a new class of COD Pt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3689","3692","10.1039/c8dt00075a","","","0.71073","MoKα","","0.0163","0.0153","","","0.0338","0.0341","","","","","","1.142","","","","has coordinates","230009","2020-10-21","18:00:00",""
"7045370","16.232","0.003","16.059","0.003","16.43","0.003","90","","96.52","0.003","90","","4255.1","1.4","123","1","123","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H52 Cl2 N4 O4 Ti -","- C45 H52 Cl2 N4 O4 Ti -","- C180 H208 Cl8 N16 O16 Ti4 -","4","0.5","","Tzubery, Avia; Melamed-Book, Naomi; Tshuva, Edit Y.","Fluorescent antitumor titanium(iv) salen complexes for cell imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3669","3673","10.1039/c7dt04828a","","","0.71073","MoKα","","0.0655","0.0607","","","0.1306","0.1331","","","","","","1.247","","","","has coordinates","229989","2020-10-21","18:00:00",""
"7045371","17.0567","0.0006","17.0598","0.0007","22.6028","0.0008","105.945","0.0019","111.776","0.0016","94.6228","0.0018","5748.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H118 F12 N4 O25 Rh4 S4 -","- C104 H100 F9 N4 O18 Rh4 S3 -","- C208 H200 F18 N8 O36 Rh8 S6 -","2","1","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","1.54178","CuKα","","0.0947","0.081","","","0.2286","0.2406","","","","","","1.041","","","","has coordinates,has disorder","229397","2020-10-21","18:00:00",""
"7045372","13.342","0.0015","22.628","0.003","25.834","0.003","95.573","0.002","90.823","0.002","104.286","0.002","7516.5","1.6","202","2","202","2","","","","","","","","7","P -1","-P 1","2","","","","- C150 H157 F12 N19 O14 Rh4 S4 -","- C140 H142 F12 N14 O14 Rh4 S4 -","- C280 H284 F24 N28 O28 Rh8 S8 -","2","1","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","0.71073","MoKα","","0.1572","0.0971","","","0.2623","0.3192","","","","","","0.966","","","","has coordinates","229397","2020-10-21","18:00:00",""
"7045373","37.892","0.004","16.239","0.0015","27.209","0.005","90","","130.389","0.005","90","","12752","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C104 H124 F12 N4 O36 Rh4 S4 -","- C100 H100 N4 O12 Rh4 -","- C400 H400 N16 O48 Rh16 -","4","0.5","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","1.54178","CuKα","","0.1968","0.1175","","","0.3393","0.3932","","","","","","1.089","","","","has coordinates","229397","2020-10-21","18:00:00",""
"7045374","21.637","0.003","14.6321","0.0017","23.47","0.003","90","","100.052","0.002","90","","7316.4","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C136 H148 F12 N12 O26 Rh4 S4 -","- C124 H130 F12 N6 O26 Rh4 S4 -","- C248 H260 F24 N12 O52 Rh8 S8 -","2","0.5","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","0.71073","MoKα","","0.123","0.0799","","","0.2271","0.2558","","","","","","1.008","","","","has coordinates,has disorder","229397","2020-10-21","18:00:00",""
"7045375","42.7915","0.0008","13.9984","0.0003","24.5974","0.0004","90","","99.18","0.0009","90","","14545.4","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C138 H152 F12 N12 O24 Rh4 S4 -","- C126 H116 F6 N12 O14 Rh4 S2 -","- C504 H464 F24 N48 O56 Rh16 S8 -","4","0.5","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","1.54178","CuKα","","0.1","0.0711","","","0.1999","0.2203","","","","","","1.063","","","","has coordinates,has disorder","229397","2020-10-21","18:00:00",""
"7045376","18.2667","0.0005","13.9397","0.0004","24.7859","0.0006","90","","100.794","0.001","90","","6199.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H132 F12 N4 O28 Rh4 S4 -","- C110 H104 F6 N4 O14 Rh4 S2 -","- C220 H208 F12 N8 O28 Rh8 S4 -","2","0.5","","Shan, Wei-Long; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Light-initiated reversible conversion of macrocyclic endoperoxides derived from half-sandwich rhodium-based metallarectangles.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2769","2777","10.1039/c7dt03962j","","","1.54178","CuKα","","0.0771","0.0613","","","0.1667","0.1863","","","","","","0.88","","","","has coordinates,has disorder","229397","2020-10-21","18:00:00",""
"7045377","12.136","0.0005","8.6567","0.0004","19.1395","0.0007","90","","92.145","0.004","90","","2009.34","0.14","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H31 F5 N6 O3 -","- C14 H28 F5 N6 O3 -","- C56 H112 F20 N24 O12 -","4","0.5","","Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.","Halide and hydroxide anion binding in water.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3329","3338","10.1039/c7dt04430e","","","0.71073","MoKα","","0.067","0.0501","","","0.1242","0.1356","","","","","","1.011","","","","has coordinates","229244","2020-10-21","18:00:00",""
"7045378","6.0275","0.0006","13.563","0.0009","11.9342","0.0009","90","","104.374","0.008","90","","945.09","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Br2 N6 O2 -","- C14 H26 Br2 N6 O2 -","- C28 H52 Br4 N12 O4 -","2","0.5","","Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.","Halide and hydroxide anion binding in water.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3329","3338","10.1039/c7dt04430e","","","1.54184","CuKα","","0.0419","0.0321","","","0.0804","0.0941","","","","","","1.149","","","","has coordinates","229244","2020-10-21","18:00:00",""
"7045379","5.8409","0.0002","13.9837","0.0007","11.5093","0.0005","90","0.005","103.017","0.004","90","0.005","915.89","0.07","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl2 N6 O2 -","- C14 H26 Cl2 N6 O2 -","- C28 H52 Cl4 N12 O4 -","2","0.5","","Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.","Halide and hydroxide anion binding in water.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3329","3338","10.1039/c7dt04430e","","","1.5418","CuKα","","0.0882","0.0484","","","0.0816","0.0964","","","","","","1.145","","","","has coordinates","229244","2020-10-21","18:00:00",""
"7045380","6.2753","0.0004","13.9813","0.0008","7.4837","0.0004","90","","97.11","0.005","90","","651.55","0.07","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N6 O2 -","- C12 H20 N6 O2 -","- C24 H40 N12 O4 -","2","0.5","","Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.","Halide and hydroxide anion binding in water.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3329","3338","10.1039/c7dt04430e","","","1.54184","CuKα","","0.0919","0.0549","","","0.1367","0.1958","","","","","","0.658","","","","has coordinates","229244","2020-10-21","18:00:00",""
"7045381","11.6821","0.0006","6.8313","0.0002","10.7321","0.0006","90","","117.2","0.007","90","","761.75","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N6 O2 -","- C14 H24 N6 O2 -","- C28 H48 N12 O4 -","2","0.5","","Savastano, M.; Bazzicalupi, C.; García-Gallarín, C; Giorgi, C.; López de la Torre, M D; Pichierri, F.; Bianchi, A.; Melguizo, M.","Halide and hydroxide anion binding in water.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3329","3338","10.1039/c7dt04430e","","x-ray","1.54184","CuKα","","0.0377","0.0355","","","0.1002","0.1019","","","","","","1.142","","","","has coordinates","229244","2020-10-21","18:00:00",""
"7045382","12.5961","0.0006","19.1851","0.0009","14.3211","0.0007","90","","92.101","0.001","90","","3458.5","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H98 La2 Mn4 N6 O28 -","- C50 H98 La2 Mn4 N6 O28 -","- C100 H196 La4 Mn8 N12 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0436","0.0402","","","0.089","0.0904","","","","","","1.143","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045383","12.6478","0.0007","19.1917","0.001","14.1773","0.0008","90","","92.331","0.001","90","","3438.4","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H98 Mn4 N6 Nd2 O28 -","- C50 H98 Mn4 N6 Nd2 O28 -","- C100 H196 Mn8 N12 Nd4 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.052","0.0352","","","0.0745","0.0813","","","","","","1.019","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045384","12.9252","0.0011","15.2245","0.0008","18.7403","0.0015","90","","99.097","0.007","90","","3641.3","0.5","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 Mn4 N8 O28 Tb2 -","- C66 H80 Mn4 N8 O28 Tb2 -","- C132 H160 Mn8 N16 O56 Tb4 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0559","0.0458","","","0.1117","0.1168","","","","","","1.003","","","","has coordinates","229245","2020-10-21","18:00:00",""
"7045385","24.8255","0.0017","13.9078","0.0009","22.4894","0.0015","90","","104.156","0.001","90","","7529.1","0.9","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Mn4 N9 O28 Y2 -","- C56 H104 Mn4 N9 O28 Y2 -","- C224 H416 Mn16 N36 O112 Y8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0464","0.0389","","","0.086","0.0897","","","","","","1.057","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045386","12.6597","0.0012","19.2686","0.0014","14.2783","0.0014","90","","92.582","0.008","90","","3479.4","0.5","150","2","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H98 Mn4 N6 O28 Pr2 -","- C50 H98 Mn4 N6 O28 Pr2 -","- C100 H196 Mn8 N12 O56 Pr4 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0836","0.0645","","","0.1595","0.1738","","","","","","0.976","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045387","12.9107","0.0012","15.4585","0.001","18.9297","0.0017","90","","99.04","0.011","90","","3731.1","0.6","200","2","200.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 Gd2 Mn4 N8 O28 -","- C66 H80 Gd2 Mn4 N8 O28 -","- C132 H160 Gd4 Mn8 N16 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0629","0.0337","","","0.0652","0.0688","","","","","","0.949","","","","has coordinates","229245","2020-10-21","18:00:00",""
"7045388","24.7488","0.0018","13.9263","0.001","22.544","0.0016","90","","103.921","0.001","90","","7541.8","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Mn4 N9 O28 Yb2 -","- C56 H107 Mn4 N9 O28 Yb2 -","- C224 H428 Mn16 N36 O112 Yb8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0274","0.0259","","","0.0615","0.0625","","","","","","1.07","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045389","24.901","0.003","13.9253","0.0011","22.556","0.003","90","","103.852","0.014","90","","7593.9","1.6","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Er2 Mn4 N9 O28 -","- C56 H101 Er2 Mn4 N9 O28 -","- C224 H404 Er8 Mn16 N36 O112 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0481","0.038","","","0.0957","0.102","","","","","","1.034","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045390","24.768","0.002","13.9171","0.0013","22.513","0.002","90","","104.065","0.001","90","","7527.6","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Mn4 N9 O28 Tm2 -","- C56 H107 Mn4 N9 O28 Tm2 -","- C224 H428 Mn16 N36 O112 Tm8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0254","0.0227","","","0.0561","0.0575","","","","","","1.029","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045391","12.6104","0.0006","19.2016","0.0009","14.2715","0.0007","90","","92.147","0.001","90","","3453.3","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H98 Ce2 Mn4 N6 O28 -","- C50 H98 Ce2 Mn4 N6 O28 -","- C100 H196 Ce4 Mn8 N12 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0323","0.0307","","","0.0695","0.0704","","","","","","1.102","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045392","13.5179","0.0007","13.8472","0.0008","24.3303","0.0013","95.199","0.004","97.115","0.004","102.773","0.004","4374.5","0.4","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H128 La2 Mn4 N8 O26 -","- C68 H128 La2 Mn4 N8 O26 -","- C136 H256 La4 Mn8 N16 O52 -","2","1","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0495","0.0393","","","0.0985","0.1026","","","","","","0.964","","","","has coordinates","229245","2020-10-21","18:00:00",""
"7045393","12.7086","0.0007","19.2548","0.0011","14.1524","0.0008","90","","92.764","0.001","90","","3459.1","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H98 Eu2 Mn4 N6 O28 -","- C50 H98 Eu2 Mn4 N6 O28 -","- C100 H196 Eu4 Mn8 N12 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0578","0.0469","","","0.0977","0.1035","","","","","","1.097","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045394","27.1777","0.0017","14.5314","0.0009","21.9879","0.0014","90","","92.649","0.001","90","","8674.4","0.9","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H132 Mn4 N6 Nd2 O27 -","- C71.6 H131.8 Mn4 N6 Nd2 O27 -","- C286.4 H527.2 Mn16 N24 Nd8 O108 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.04","0.0319","","","0.0734","0.0781","","","","","","1.035","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045395","27.154","0.002","14.4968","0.0013","21.8243","0.0019","90","","92.776","0.001","90","","8581","1.2","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H132 Mn4 N6 O27 Tb2 -","- C71 H130 Mn4 N6 O27 Tb2 -","- C284 H520 Mn16 N24 O108 Tb8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0335","0.0307","","","0.0719","0.0736","","","","","","1.059","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045396","24.8658","0.0012","13.9234","0.001","22.469","0.0011","90","","104.422","0.004","90","","7534","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Mn4 N9 O28 Tb2 -","- C56 H107 Mn4 N9 O28 Tb2 -","- C224 H428 Mn16 N36 O112 Tb8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.041","0.0294","","","0.0608","0.0635","","","","","","1.025","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045397","27.171","0.0007","14.5793","0.0004","22.0369","0.0006","90","","92.65","0.001","90","","8720.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H132 Mn4 N6 O27 Pr2 -","- C71 H130 Mn4 N6 O27 Pr2 -","- C284 H520 Mn16 N24 O108 Pr8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0289","0.0255","","","0.0621","0.0645","","","","","","1.039","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045398","24.8976","0.0011","13.9166","0.0006","22.3814","0.001","90","","104.775","0.001","90","","7498.5","0.6","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Mn4 N9 O28 Sm2 -","- C56 H107 Mn4 N9 O28 Sm2 -","- C224 H428 Mn16 N36 O112 Sm8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0262","0.0246","","","0.0596","0.0608","","","","","","1.081","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045399","24.698","0.007","13.842","0.004","22.331","0.006","90","","104.571","0.004","90","","7389","4","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Dy2 Mn4 N9 O28 -","- C56 H107 Dy2 Mn4 N9 O28 -","- C224 H428 Dy8 Mn16 N36 O112 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0542","0.0428","","","0.0968","0.1014","","","","","","1.07","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045400","24.65","0.004","13.825","0.002","22.304","0.003","90","","104.549","0.002","90","","7357.2","1.9","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H107 Ho2 Mn4 N9 O28 -","- C56 H107 Ho2 Mn4 N9 O28 -","- C224 H428 Ho8 Mn16 N36 O112 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0507","0.0427","","","0.0949","0.0983","","","","","","1.076","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045401","27.1856","0.001","14.5451","0.0005","21.9395","0.0008","90","","92.614","0.001","90","","8666.2","0.5","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H132 Mn4 N6 O27 Sm2 -","- C70.96 H129.88 Mn4 N6 O27 Sm2 -","- C283.84 H519.52 Mn16 N24 O108 Sm8 -","4","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.043","0.0322","","","0.067","0.0715","","","","","","1.049","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045402","13.1507","0.0005","13.7341","0.0005","13.8606","0.0006","64.935","0.001","66.609","0.001","80.602","0.001","2081.25","0.14","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64.88 H124.44 Gd2 Mn4 N6.44 O26.56 -","- C64.88 H122 Gd2 Mn4 N6.44 O26.56 -","- C64.88 H122 Gd2 Mn4 N6.44 O26.56 -","1","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0436","0.0396","","","0.0915","0.0936","","","","","","1.087","","","","has coordinates,has disorder","229245","2020-10-21","18:00:00",""
"7045403","12.9182","0.0004","15.1094","0.0004","18.673","0.0006","90","","99.213","0.001","90","","3597.7","0.19","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 Dy2 Mn4 N8 O28 -","- C66 H80 Dy2 Mn4 N8 O28 -","- C132 H160 Dy4 Mn8 N16 O56 -","2","0.5","","Akhtar, Muhammad Nadeem; Lan, Yanhua; AlDamen, Murad A.; Zheng, Yan-Zhen; Anson, Christopher E.; Powell, Annie K.","Effect of ligand substitution on the SMM properties of three isostructural families of double-cubane Mn<sub>4</sub>Ln<sub>2</sub> coordination clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3485","3495","10.1039/c7dt04304j","","","0.71073","MoKα","","0.0295","0.0249","","","0.0585","0.0606","","","","","","1.05","","","","has coordinates","229245","2020-10-21","18:00:00",""
"7045404","12.2761","0.0004","19.5771","0.0007","20.4123","0.0008","91.369","0.002","90.147","0.002","97.5953","0.0019","4861.2","0.3","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C164 H192 Cl20 N16 O26 Pd2 Zn2 -","- C164 H192 Cl20 N16 O26 Pd2 Zn2 -","- C164 H192 Cl20 N16 O26 Pd2 Zn2 -","1","0.5","","López-Vidal, E M; Prokofjevs, A.; Gibbs-Hall, I C; Dale, E. J.; Quintela, J. M.; Peinador, C.","Studies towards the synthesis of Pd(ii)-containing [2] and [3]catenanes in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2492","2496","10.1039/c7dt04792d","","","0.71073","MoKα","","0.1108","0.071","","","0.1879","0.2055","","","","","","1.031","","","","has coordinates","229411","2020-10-21","18:00:00",""
"7045405","14.528","0.001","16.6911","0.0012","20.7097","0.0014","105.917","0.003","91.108","0.003","105.758","0.003","4623.9","0.6","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 Cl14 N8 O14 Zn4 -","- C82 H92 Cl14 N8 O14 Zn4 -","- C164 H184 Cl28 N16 O28 Zn8 -","2","1","","López-Vidal, E M; Prokofjevs, A.; Gibbs-Hall, I C; Dale, E. J.; Quintela, J. M.; Peinador, C.","Studies towards the synthesis of Pd(ii)-containing [2] and [3]catenanes in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2492","2496","10.1039/c7dt04792d","","","1.54178","CuKα","","0.0737","0.0685","","","0.1951","0.2022","","","","","","1.051","","","","has coordinates","229411","2020-10-21","18:00:00",""
"7045406","13.6609","0.0003","16.2506","0.0005","22.6277","0.0006","85.8334","0.0018","77.5244","0.0016","72.8578","0.0015","4686.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45.35 H71.92 Fe N6 Si2 -","- C45.347 H71.918 Fe N6 Si2 -","- C181.388 H287.672 Fe4 N24 Si8 -","4","2","","Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung","Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3243","3247","10.1039/c7dt04928e","","","0.71073","MoKα","","0.1425","0.0831","","0.2633","0.2007","0.262","","","","","","0.9991","","","","has coordinates,has disorder","229233","2020-10-21","18:00:00",""
"7045407","10.6257","0.0007","11.7461","0.0007","13.373","0.0009","108.574","0.003","101.586","0.004","98.224","0.004","1510.91","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H86 Fe2 N10 -","- C68 H86 Fe2 N10 -","- C68 H86 Fe2 N10 -","1","0.5","","Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung","Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3243","3247","10.1039/c7dt04928e","","","0.71073","MoKα","","0.0678","0.0566","","","0.1283","0.1383","","","","","","1.111","","","","has coordinates","229233","2020-10-21","18:00:00",""
"7045408","9.3471","0.0011","18.745","0.003","24.074","0.003","90","","91.099","0.006","90","","4217.3","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H62 Fe N5 O2 Si2 -","- C40 H62 Fe N5 O2 Si2 -","- C160 H248 Fe4 N20 O8 Si8 -","4","1","","Lin, Hsiu-Jung; Lutz, Sean; O'Kane, Catherine; Zeller, Matthias; Chen, Chun-Hsing; Al Assil, Talal; Lee, Wei-Tsung","Synthesis and characterization of an iron complex bearing a hemilabile NNN-pincer for catalytic hydrosilylation of organic carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3243","3247","10.1039/c7dt04928e","","","0.71073","MoKα","","0.1785","0.09","","","0.1461","0.1743","","","","","","0.894","","","","has coordinates","229233","2020-10-21","18:00:00",""
"7045409","13.2181","0.0001","13.2181","0.0001","13.2181","0.0001","90","","90","","90","","2309.44","0.03","293","2","293","2","","","","","","","","7","I m -3","-I 2 2 3","204","Dy,Fe,Cr-3d-ICF","","","- Cl6 Cr0.67 Dy14.34 Fe H42 Na O42 -","- Cl6 Cr0.8 Dy14.32 Fe1.2 H42 Na O42 -","- Cl12 Cr1.6 Dy28.64 Fe2.4 H84 Na2 O84 -","2","0.0416667","","Yuan, Long; Huang, Keke; Feng, Wenchun; Li, Baiyan; Hou, Changmin; Ye, Kaiqi; Wu, Xiaofeng; Shi, Zhan; Wang, Shan; Feng, Shouhua","Design and synthesis of metal hydroxide three-dimensional inorganic cationic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3339","3345","10.1039/c8dt00039e","","","0.71073","MoKα","","0.05","0.0434","","","0.0867","0.0895","","","","","","1.02","","","","has coordinates,has disorder","229241","2020-10-21","18:00:00",""
"7045410","9.946","0.003","11.53","0.007","11.732","0.004","108.443","0.006","113.238","0.004","96.187","0.006","1130.2","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cl4 Cu2 Mn2 N4 O4 -","- C36 H36 Cl4 Cu2 Mn2 N4 O4 -","- C36 H36 Cl4 Cu2 Mn2 N4 O4 -","1","0.5","","Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh","Control of nuclearity in heterometallic Cu<sup>II</sup>-Mn<sup>II</sup> complexes derived from asymmetric Schiff bases: structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3568","3579","10.1039/c7dt04766e","","","0.71073","MoKα","","0.0908","0.0455","","","0.1035","0.121","","","","","","0.931","","","","has coordinates","229237","2020-10-21","18:00:00",""
"7045411","27.37","0.005","10.066","0.005","19.407","0.005","90","","118.944","0.005","90","","4679","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cl2 Cu2 Mn N8 O4 -","- C44 H48 Cl2 Cu2 Mn N8 O4 -","- C176 H192 Cl8 Cu8 Mn4 N32 O16 -","4","0.5","","Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh","Control of nuclearity in heterometallic Cu<sup>II</sup>-Mn<sup>II</sup> complexes derived from asymmetric Schiff bases: structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3568","3579","10.1039/c7dt04766e","","","0.71073","MoKα","","0.0811","0.0495","","","0.1132","0.1283","","","","","","1.038","","","","has coordinates","229237","2020-10-21","18:00:00",""
"7045412","8.481","0.005","11.101","0.005","20.649","0.005","90","","94.972","0.005","90","","1936.7","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18.7 Cl2 Cu Mn N2 O3.35 -","- C18 H18.7 Cl2 Cu Mn N2 O3.35 -","- C72 H74.8 Cl8 Cu4 Mn4 N8 O13.4 -","4","1","","Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh","Control of nuclearity in heterometallic Cu<sup>II</sup>-Mn<sup>II</sup> complexes derived from asymmetric Schiff bases: structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3568","3579","10.1039/c7dt04766e","","","0.71073","MoKα","","0.1453","0.0539","","","0.1067","0.1345","","","","","","0.843","","","","has coordinates","229237","2020-10-21","18:00:00",""
"7045413","11.2555","0.0013","12.524","0.003","14.51","0.003","90","","101.073","0.014","90","","2007.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 Cu Mn N2 O3 -","- C19 H20 Cl2 Cu Mn N2 O3 -","- C76 H80 Cl8 Cu4 Mn4 N8 O12 -","4","1","","Mahapatra, Prithwish; Giri, Sanjib; Drew, Michael G. B.; Ghosh, Ashutosh","Control of nuclearity in heterometallic Cu<sup>II</sup>-Mn<sup>II</sup> complexes derived from asymmetric Schiff bases: structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3568","3579","10.1039/c7dt04766e","","","0.71073","MoKα","","0.1486","0.0805","","","0.1918","0.2278","","","","","","1.03","","","","has coordinates,has disorder","229237","2020-10-21","18:00:00",""
"7045414","13.248","0.004","13.889","0.004","23.386","0.006","93.433","0.004","98.979","0.004","99.678","0.004","4173","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H130 Mn4 Mo24 N10 O136 P16 Pb2 -","- C65 H72 Mn4 Mo24 N10 O136 P16 Pb2 -","- C65 H72 Mn4 Mo24 N10 O136 P16 Pb2 -","1","0.5","","Han, Zhangang; Xin, Xing; Zheng, Ran; Yu, Haitao","Influence of Pb element on the catalytic properties of {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3356","3365","10.1039/c7dt04772j","","","0.71073","MoKα","","0.0302","0.0296","","","0.086","0.0868","","","","","","1.023","","","","has coordinates,has disorder","229248","2020-10-21","18:00:00",""
"7045415","22.1924","0.0008","21.7343","0.0007","16.5637","0.0007","90","","96.612","0.003","90","","7936.1","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H98 Mo24 N6 Ni4 O134 P16 Pb2 -","- C39 H16 Mo24 N6 Ni4 O134 P16 Pb2 -","- C78 H32 Mo48 N12 Ni8 O268 P32 Pb4 -","2","0.25","","Han, Zhangang; Xin, Xing; Zheng, Ran; Yu, Haitao","Influence of Pb element on the catalytic properties of {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3356","3365","10.1039/c7dt04772j","","","0.71073","MoKα","","0.0489","0.0422","","","0.1072","0.112","","","","","","1.052","","","","has coordinates","229248","2020-10-21","18:00:00",""
"7045416","22.7005","0.0007","22.0511","0.0006","16.6886","0.0006","90","","96.517","0.003","90","","8299.8","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H94 Cd4 Mo24 N6 O132 P16 Pb2 -","- C39 H16 Cd4 Mo24 N6 O132 P16 Pb2 -","- C78 H32 Cd8 Mo48 N12 O264 P32 Pb4 -","2","0.25","","Han, Zhangang; Xin, Xing; Zheng, Ran; Yu, Haitao","Influence of Pb element on the catalytic properties of {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3356","3365","10.1039/c7dt04772j","","","0.71073","MoKα","","0.0617","0.0546","","","0.1444","0.1507","","","","","","1.031","","","","has coordinates","229248","2020-10-21","18:00:00",""
"7045417","22.249","0.0006","21.8374","0.0006","16.6022","0.0005","90","","96.747","0.003","90","","8010.5","0.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H98 Co4 Mo24 N6 O134 P16 Pb2 -","- C39 H16 Co4 Mo24 N6 O134 P16 Pb2 -","- C78 H32 Co8 Mo48 N12 O268 P32 Pb4 -","2","0.25","","Han, Zhangang; Xin, Xing; Zheng, Ran; Yu, Haitao","Influence of Pb element on the catalytic properties of {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3356","3365","10.1039/c7dt04772j","","","0.71073","MoKα","","0.0459","0.0399","","","0.1062","0.1111","","","","","","1.038","","","","has coordinates","229248","2020-10-21","18:00:00",""
"7045418","9.92621","0.00012","12.74029","0.00016","13.998","0.0002","90","","93.8694","0.0012","90","","1766.19","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12.3 O11.65 Sm -","- C16 H10.3 O11.65 Sm -","- C64 H41.2 O46.6 Sm4 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.0241","0.0219","","","0.0531","0.0542","","","","","","1.069","","","","has coordinates,has disorder","229792","2020-10-21","18:00:00",""
"7045419","9.8077","0.0002","12.7197","0.0003","13.9411","0.0004","90","","93.756","0.002","90","","1735.43","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12.6 Dy O11.8 -","- C16 H10.6 Dy O11.8 -","- C64 H42.4 Dy4 O47.2 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.0407","0.0299","","","0.061","0.0652","","","","","","1.014","","","","has coordinates,has disorder","229792","2020-10-21","18:00:00",""
"7045420","9.76631","0.00017","12.7056","0.0002","13.9075","0.0002","90","","93.7181","0.0016","90","","1722.11","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12.6 Er O11.8 -","- C16 H10.6 Er O11.8 -","- C64 H42.4 Er4 O47.2 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.0378","0.0311","","","0.0749","0.0792","","","","","","1.06","","","","has coordinates,has disorder","229792","2020-10-21","18:00:00",""
"7045421","9.845","0.0005","12.7548","0.0006","13.9951","0.0008","90","","93.753","0.005","90","","1753.61","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Gd O12 -","- C16 H11 Gd O12 -","- C64 H44 Gd4 O48 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.0419","0.0282","","","0.0695","0.0718","","","","","","0.892","","","","has coordinates,has disorder","229792","2020-10-21","18:00:00",""
"7045422","9.8243","0.0002","12.735","0.0003","13.9772","0.0003","90","","93.814","0.0019","90","","1744.85","0.07","150.01","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 O12 Tb -","- C16 H11 O12 Tb -","- C64 H44 O48 Tb4 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.046","0.0382","","","0.0789","0.0824","","","","","","1.143","","","","has coordinates,has disorder","229792","2020-10-21","18:00:00",""
"7045423","7.7677","0.0007","8.5957","0.0006","12.8044","0.001","73.373","0.007","72.777","0.008","70.317","0.007","752.19","0.11","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O10 -","- C16 H12 O10 -","- C32 H24 O20 -","2","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2360","2367","10.1039/c7dt04583b","","","1.54184","CuKα","","0.0481","0.0408","","","0.1058","0.1139","","","","","","1.041","","","","has coordinates","229792","2020-10-21","18:00:00",""
"7045424","10","5","10","5","73","73","90","","90","","120","","6322","8","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H81 Cl13 Mn2 N16 -","- C24 H81 Cl13 Mn2 N16 -","- C144 H486 Cl78 Mn12 N96 -","6","0.166667","","Zhu, Xiao; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Challenge in optoelectronic duplex switches: a red emission large-size single crystal and a unidirectional flexible thin film of a hybrid multifunctional material.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2344","2351","10.1039/c7dt04489e","","","0.71073","MoKα","","0.0917","0.0894","","","0.2574","0.2587","","","","","","1.373","","","","has coordinates,has disorder","229794","2020-10-21","18:00:00",""
"7045425","9.6566","0.0007","9.6566","0.0007","72.509","0.002","90","","90","","120","","5855.6","0.6","103","2","103","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C24 H0.67 Cl13 Mn2 N16 -","- C24 Cl13 Mn2 N16 -","- C144 Cl78 Mn12 N96 -","6","0.166667","","Zhu, Xiao; Zhang, Wan-Ying; Chen, Cheng; Ye, Qiong; Fu, Da-Wei","Challenge in optoelectronic duplex switches: a red emission large-size single crystal and a unidirectional flexible thin film of a hybrid multifunctional material.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2344","2351","10.1039/c7dt04489e","","","0.71073","MoKα","","0.1101","0.0973","","","0.3304","0.3433","","","","","","1.113","","","","has coordinates","229794","2020-10-21","18:00:00",""
"7045426","14.277","0.004","16.766","0.005","11.966","0.005","90","","90","","90","","2864.3","1.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C9 H36 N15 O15 Y -","- C9 H36 N15 O15 Y -","- C36 H144 N60 O60 Y4 -","4","0.5","","Janicki, Rafał; Lindqvist-Reis, Patric","Eu(iii) and Cm(iii) tetracarbonates - in the quest for the limiting species in solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2393","2405","10.1039/c7dt04836j","","","0.71073","MoKα","","0.0842","0.0425","","","0.0875","0.0916","","","","","","1.009","","","","has coordinates","229790","2020-10-21","18:00:00",""
"7045427","21.305","0.005","6.84","0.003","18.77","0.005","90","","90","","90","","2735.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H33.5 Gd N15 O13.75 -","- C9 H33.5 Gd N15 O13.75 -","- C36 H134 Gd4 N60 O55 -","4","1","","Janicki, Rafał; Lindqvist-Reis, Patric","Eu(iii) and Cm(iii) tetracarbonates - in the quest for the limiting species in solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2393","2405","10.1039/c7dt04836j","","","0.71073","MoKα","","0.0506","0.037","","","0.0845","0.0874","","","","","","1.022","","","","has coordinates","229790","2020-10-21","18:00:00",""
"7045428","14.9492","0.0014","33.781","0.003","15.9327","0.0011","90","","97.18","0.008","90","","7982.9","1.2","100.3","0.3","100.3","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 F24 N12 P4 Ru2 -","- C60 H42 F24 N12 P4 Ru2 -","- C240 H168 F96 N48 P16 Ru8 -","4","0.5","","Ypsilantis, Konstantinos; Plakatouras, John C.; Manos, Manolis J.; Kourtellaris, Andreas; Markopoulos, Georgios; Kolettas, Evangelos; Garoufis, Achilleas","Stepwise synthesis, characterization, DNA binding properties and cytotoxicity of diruthenium oligopyridine compounds conjugated with peptides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3549","3567","10.1039/c7dt04639a","","","0.71073","MoKα","","0.1311","0.0721","","","0.1637","0.1868","","","","","","0.951","","","","has coordinates","229253","2020-10-21","18:00:00",""
"7045429","23.5727","0.0008","17.0533","0.0005","18.1277","0.0007","90","","104.936","0.004","90","","7041","0.4","100","3","100","3","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H36 F24 N12 O2 P4 Ru2 -","- C55 H36 F24 N12 O2 P4 Ru2 -","- C220 H144 F96 N48 O8 P16 Ru8 -","4","0.5","","Ypsilantis, Konstantinos; Plakatouras, John C.; Manos, Manolis J.; Kourtellaris, Andreas; Markopoulos, Georgios; Kolettas, Evangelos; Garoufis, Achilleas","Stepwise synthesis, characterization, DNA binding properties and cytotoxicity of diruthenium oligopyridine compounds conjugated with peptides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3549","3567","10.1039/c7dt04639a","","","0.71073","MoKα","","0.0509","0.045","","","0.113","0.1156","","","","","","1.084","","","","has coordinates,has disorder","229253","2020-10-21","18:00:00",""
"7045430","23.83","0.002","17.0667","0.0016","18.275","0.002","90","","105.189","0.011","90","","7172.8","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H41 F24 N12 O2 P4 Ru2 -","- C61 H41 F24 N12 O2 P4 Ru2 -","- C244 H164 F96 N48 O8 P16 Ru8 -","4","0.5","","Ypsilantis, Konstantinos; Plakatouras, John C.; Manos, Manolis J.; Kourtellaris, Andreas; Markopoulos, Georgios; Kolettas, Evangelos; Garoufis, Achilleas","Stepwise synthesis, characterization, DNA binding properties and cytotoxicity of diruthenium oligopyridine compounds conjugated with peptides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3549","3567","10.1039/c7dt04639a","","","0.71073","MoKα","","0.0762","0.0525","","","0.1347","0.1533","","","","","","1.039","","","","has coordinates,has disorder","229253","2020-10-21","18:00:00",""
"7045431","11.622","0.009","7.507","0.004","5.825","0.004","90","","102.276","0.018","90","","496.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H6 Cl4 Mo N2 -","- C4 H6 Cl4 Mo N2 -","- C8 H12 Cl8 Mo2 N4 -","2","0.25","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0256","0.0231","","","0.057","0.0579","","","","","","1.1","","","","has coordinates,has disorder","229785","2020-10-21","18:00:00",""
"7045432","10.7754","0.0004","8.6531","0.0004","13.0339","0.0007","90","","90","","90","","1215.29","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Cl4 Mo S2 -","- C4 H12 Cl4 Mo S2 -","- C16 H48 Cl16 Mo4 S8 -","4","0.5","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.027","0.0208","","","0.0439","0.0457","","","","","","1.045","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045433","6.9578","0.0003","7.323","0.0002","12.584","0.0005","77.467","0.003","81.727","0.003","72.082","0.003","593.49","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 Cl4 Mo S2 -","- C5 H12 Cl4 Mo S2 -","- C10 H24 Cl8 Mo2 S4 -","2","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0218","0.0194","","","0.0516","0.0528","","","","","","1.089","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045434","8.6773","0.0002","9.1092","0.0002","19.7049","0.0004","90","","98.465","0.002","90","","1540.57","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl4 Mo S2 -","- C8 H18 Cl4 Mo S2 -","- C32 H72 Cl16 Mo4 S8 -","4","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0259","0.0256","","","0.0575","0.0577","","","","","","1.224","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045435","11.1611","0.0003","23.6764","0.0011","12.6813","0.0003","90","","90","","90","","3351.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H17 Cl5 Mo S3 -","- C6 H17 Cl5 Mo S3 -","- C48 H136 Cl40 Mo8 S24 -","8","2","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0431","0.034","","","0.07","0.0735","","","","","","1.025","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045436","7.1386","0.0006","11.1622","0.0006","7.8033","0.0007","90","","115.913","0.011","90","","559.27","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C4 H10 Cl4 Mo S2 -","- C4 H10 Cl4 Mo S2 -","- C8 H20 Cl8 Mo2 S4 -","2","1","","Chang, Yao-Pang; Hector, Andrew L.; Levason, William; Reid, Gillian; Whittam, Joshua","Synthesis and properties of MoCl<sub>4</sub> complexes with thio- and seleno-ethers and their use for chemical vapour deposition of MoSe<sub>2</sub> and MoS<sub>2</sub> films.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2406","2414","10.1039/c7dt04352j","","","0.71073","MoKα","","0.0556","0.0471","","","0.1177","0.1223","","","","","","1.022","","","","has coordinates","229785","2020-10-21","18:00:00",""
"7045437","9.9726","0.0002","10.6796","0.0002","17.3718","0.0004","93.484","0.001","105.91","0.001","114.784","0.001","1582.36","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Ni(PS2)2","Ni(PS2)2","","- C36 H26 Ni P2 S4 -","- C36 H26 Ni P2 S4 -","- C72 H52 Ni2 P4 S8 -","2","1","","Chang, Hao-Ching; Lin, Sheng-Hsiang; Hsu, Yu-Chen; Jen, Shao-Wei; Lee, Way-Zen","Nickel(iii)-mediated oxidative cascades from a thiol-bearing nickel(ii) precursor to the nickel(iv) product.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3796","3802","10.1039/c7dt04137c","","","0.71073","MoKα","","0.0503","0.0362","","","0.0926","0.1035","","","","","","1.086","","","","has coordinates","230003","2020-10-21","18:00:00",""
"7045438","16.057","0.002","6.8909","0.0009","7.2259","0.001","90","","94.608","0.005","90","","796.94","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn O6 -","- C16 H18 Mn O6 -","- C32 H36 Mn2 O12 -","2","0.5","","Garcia-Cirera, Beltzane; Costa, Ramon; Moreira, Ibério de P R; Font-Bardia, Mercè; Corbella, Montserrat","A 2D rhomboidal system of manganese(ii) [Mn(3-MeC<sub>6</sub>H<sub>4</sub>COO)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub> with spin canting: rationalization of the magnetic exchange.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3717","3724","10.1039/c7dt04380e","","","0.71073","MoKα","","0.0589","0.0425","","","0.1016","0.113","","","","","","1.081","","","","has coordinates,has disorder","229999","2020-10-21","18:00:00",""
"7045439","10.5648","0.0007","11.9358","0.0008","15.2248","0.001","79.683","0.001","72.251","0.001","84.015","0.001","1796.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Cu N4 O3 S2 -","- C36 H50 Cu1.002 N4 O3 S2 -","- C72 H100 Cu2.004 N8 O6 S4 -","2","1","","Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa","N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2719","2726","10.1039/c7dt04860b","","","0.71073","MoKα","","0.0524","0.0396","","","0.0999","0.1092","","","","","","1.026","","","","has coordinates,has disorder","229405","2020-10-21","18:00:00",""
"7045440","14.662","0.002","14.662","0.002","15.487","0.002","90","","90","","90","","3329.3","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H42 N4 Ni O2 S2 -","- C32 H42 N4 Ni O2 S2 -","- C128 H168 N16 Ni4 O8 S8 -","4","0.5","","Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa","N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2719","2726","10.1039/c7dt04860b","","","0.71073","MoKα","","0.0225","0.02","","","0.0485","0.0491","","","","","","1.029","","","","has coordinates","229405","2020-10-21","18:00:00",""
"7045441","13.8922","0.0016","7.403","0.0009","34.25","0.004","90","","99.859","0.002","90","","3470.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H45 N5 O2 S2 Zn -","- C34 H45 N5 O2 S2 Zn -","- C136 H180 N20 O8 S8 Zn4 -","4","1","","Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa","N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2719","2726","10.1039/c7dt04860b","","","0.71073","MoKα","","0.1435","0.0498","","","0.0892","0.121","","","","","","0.829","","","","has coordinates","229405","2020-10-21","18:00:00",""
"7045442","9.6733","0.0004","26.7438","0.001","18.9117","0.0007","90","","92.5405","0.0009","90","","4887.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Co N6 O3 S3 -","- C48 H63 Co N6 O3 S3 -","- C192 H252 Co4 N24 O12 S12 -","4","1","","Ali, Zahra; Richey, Nathaniel E.; Bock, Duane C.; Abboud, Khalil A.; Akhtar, Javeed; Sher, Muhammad; McElwee-White, Lisa","N,N-Disubstituted-N'-acylthioureas as modular ligands for deposition of transition metal sulfides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2719","2726","10.1039/c7dt04860b","","","0.71073","MoKα","","0.1105","0.0582","","","0.1133","0.131","","","","","","1.016","","","","has coordinates,has disorder","229405","2020-10-21","18:00:00",""
"7045443","11.7354","0.0007","20.308","0.003","13.771","0.003","90","","107.289","0.011","90","","3133.7","0.9","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C34 H84 Co2 Cu3 N6 Na3 O23 S6 -","- C34 H84 Co2 Cu3 N6 Na3 O23 S6 -","- C68 H168 Co4 Cu6 N12 Na6 O46 S12 -","2","0.5","","Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi","A stable thiolato-Cu<sup>I</sup>-thiolato triple linkage that bridges two cobalt(iii) centres.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2497","2500","10.1039/c7dt04760f","","","0.71075","MoKα","","0.0666","0.0507","","","0.0756","0.0795","","","","","","1.035","","","","has coordinates,has disorder","229394","2020-10-21","18:00:00",""
"7045444","24.812","0.005","24.812","0.005","67.434","0.007","90","","90","","120","","35953","11","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C30 H67 Co2 Cr0.33 Cu3 N6 O20.5 S6 -","- C30 H54 Co2 Cr0.333333 Cu3 N6 O14 S6 -","- C540 H972 Co36 Cr6 Cu54 N108 O252 S108 -","18","1","","Oya, Naoyuki; Yamada, Mihoko; Surinwong, Sireenart; Kuwamura, Naoto; Konno, Takumi","A stable thiolato-Cu<sup>I</sup>-thiolato triple linkage that bridges two cobalt(iii) centres.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2497","2500","10.1039/c7dt04760f","","","0.701","synchrotron","","0.2139","0.076","","","0.1667","0.2217","","","","","","0.834","","","","has coordinates","229394","2020-10-21","18:00:00",""
"7045445","18.092","0.0019","18.092","0.0019","17.592","0.004","90","","90","","90","","5758.2","1.6","298","2","298","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C36 H40 Cl8 N4 O18 Ti4 -","- C36 H40 Cl8 N4 O18 Ti4 -","- C144 H160 Cl32 N16 O72 Ti16 -","4","","","Tong, Jing; Xu, Tingting; Liu, Shengjun; Zhang, Junxiang; Hou, Xudong; Liu, Bo","Cascade Covalent and Coordination Bonds Formation for Ti-Based Cage Assembly: Catalysis and Coordination Bi-functions of TiCl4","Dalton Transactions","2018","","","","","10.1039/C7DT04367H","","","0.71073","MoKα","","0.1243","0.0739","","","0.2008","0.2291","","","","","","1.005","","","","has coordinates,has disorder","205866","2020-10-21","18:00:00",""
"7045446","7.292","0.003","10.039","0.003","10.396","0.004","90","","90","","90","","761","0.5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- B2 Cs2 La Li O6 -","- B2 Cs2 La Li O6 -","- B8 Cs8 La4 Li4 O24 -","4","0.5","","Ma, Ruru; Yang, Yun; Hu, Cong; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie","LiCs<sub>2</sub>La(BO<sub>3</sub>)<sub>2</sub> and Li<sub>3</sub>K<sub>9</sub>La<sub>3</sub>(BO<sub>3</sub>)<sub>7</sub>: new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3512","3520","10.1039/c7dt04830k","","","0.71073","MoKα","","0.0183","0.0164","","","0.0376","0.0383","","","","","","1.117","","","","has coordinates","229243","2020-10-21","18:00:00",""
"7045447","11.491","0.002","10.2132","0.0018","12.425","0.003","90","","121.58","0.008","90","","1242.3","0.4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B7 K9 La3 Li3 O21 -","- B7 K9 La3 Li3 O21 -","- B14 K18 La6 Li6 O42 -","2","0.5","","Ma, Ruru; Yang, Yun; Hu, Cong; Dong, Xiaoyu; Yang, Zhihua; Pan, Shilie","LiCs<sub>2</sub>La(BO<sub>3</sub>)<sub>2</sub> and Li<sub>3</sub>K<sub>9</sub>La<sub>3</sub>(BO<sub>3</sub>)<sub>7</sub>: new mixed alkali metal lanthanum borates with three-dimensional open frameworks and short cut-off edges.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3512","3520","10.1039/c7dt04830k","","","0.71073","MoKα","","0.0228","0.0197","","","0.0461","0.0478","","","","","","1.052","","","","has coordinates","229243","2020-10-21","18:00:00",""
"7045448","45.0598","0.0004","45.0598","0.0004","45.0598","0.0004","90","","90","","90","","91488.8","1.4","100","2","100","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C108 H36 N24 O50 Zn9 -","- C108 H36 N24 O50 Zn9 -","- C1728 H576 N384 O800 Zn144 -","16","0.166667","","Chen, Chun-Hui; Wang, Xu-Sheng; Li, Lan; Huang, Yuan-Biao; Cao, Rong","Highly selective sensing of Fe<sup>3+</sup> by an anionic metal-organic framework containing uncoordinated nitrogen and carboxylate oxygen sites.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3452","3458","10.1039/c8dt00088c","","","1.54184","CuKα","","0.1404","0.0845","","","0.2688","0.2972","","","","","","0.9","","","","has coordinates","229231","2020-10-21","18:00:00",""
"7045449","11.709","0.0009","16.0946","0.0012","44.352","0.003","90","","91.651","0.001","90","","8354.7","1.1","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C105 H234 Cl7 Co2 N39 O30 P12 Ru6 -","- C105 H174 Cl7 Co2 N39 O30 P12 Ru6 -","- C210 H348 Cl14 Co4 N78 O60 P24 Ru12 -","2","0.5","","Scalambra, Franco; Serrano-Ruiz, Manuel; Romerosa, Antonio","Water driven formation of channels: unusual solid-state structural transformation of a heterometallic polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3588","3595","10.1039/c7dt04515h","","","0.71073","MoKα","","0.0768","0.0599","","","0.1299","0.142","","","","","","1.08","","","","has coordinates,has disorder","229232","2020-10-21","18:00:00",""
"7045450","18.4888","0.0013","15.9993","0.0012","17.557","0.0013","90","","96.121","0.001","90","","5163.9","0.7","100","","100","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","1DMSO","","","- C39 H70 Cl3 Co N13 O2 P4 Ru2 S2 -","- C39 H70 Cl3 Co N13 O2 P4 Ru2 S2 -","- C156 H280 Cl12 Co4 N52 O8 P16 Ru8 S8 -","4","0.5","","Scalambra, Franco; Serrano-Ruiz, Manuel; Romerosa, Antonio","Water driven formation of channels: unusual solid-state structural transformation of a heterometallic polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3588","3595","10.1039/c7dt04515h","","","0.71073","MoKα","","0.0297","0.0254","","","0.0562","0.0581","","","","","","1.052","","","","has coordinates,has disorder","229232","2020-10-21","18:00:00",""
"7045451","14.9543","0.0004","20.0441","0.0005","9.0693","0.0002","90","","103.535","0.003","90","","2642.98","0.12","293","0.4","293","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(ppy)2Ir(CH3CN)2","","- C26 H22 Ir N4 -","- C26 H22 Ir N4 -","- C104 H88 Ir4 N16 -","4","1","","Rhee, Hayoung; Kim, Taemin; Hong, Jong-In","Ir(iii) complex-based phosphorescence and electrochemiluminescence chemodosimetric probes for Hg(ii) ions with high selectivity and sensitivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3803","3810","10.1039/c8dt00309b","","x-ray","1.54184","CuKα","","0.0385","0.0346","","","0.095","0.0978","","","","","","1.07","","","","has coordinates","230007","2020-10-21","18:00:00",""
"7045452","8.9391","0.0004","18.8103","0.0008","9.2977","0.0004","90","","105.309","0.001","90","","1507.91","0.11","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 F6 Ir N P S -","- C33 H33 F6 Ir N P S -","- C66 H66 F12 Ir2 N2 P2 S2 -","2","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH<sub>2</sub>OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η<sup>5</sup>-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.0344","0.0337","","","0.0917","0.0922","","","","","","1.016","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045453","9.0129","0.0017","18.866","0.004","9.4669","0.0019","90","","104.644","0.004","90","","1557.4","0.5","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 F6 Ir N P Se -","- C33 H33 F6 Ir N P Se -","- C66 H66 F12 Ir2 N2 P2 Se2 -","2","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH<sub>2</sub>OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η<sup>5</sup>-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.0554","0.0456","","","0.0849","0.0886","","","","","","1.017","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045454","12.252","0.002","13.705","0.002","19.94","0.003","90","","105.778","0.004","90","","3222","0.9","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl F6 Ir N P S -","- C33 H34 Cl F6 Ir N P S -","- C132 H136 Cl4 F24 Ir4 N4 P4 S4 -","4","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH<sub>2</sub>OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η<sup>5</sup>-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.091","0.0645","","","0.1475","0.1636","","","","","","0.938","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045455","18.368","0.005","5.178","0.0014","20.341","0.005","90","","110.958","0.006","90","","1806.6","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N Se -","- C23 H19 N Se -","- C92 H76 N4 Se4 -","4","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH<sub>2</sub>OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η<sup>5</sup>-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.1097","0.061","","","0.1322","0.1661","","","","","","0.946","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045456","12.2212","0.0006","13.7085","0.0007","20.0843","0.0011","90","","105.127","0.001","90","","3248.2","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl F6 Ir N P Se -","- C33 H34 Cl F6 Ir N P Se -","- C132 H136 Cl4 F24 Ir4 N4 P4 Se4 -","4","1","","Dubey, Pooja; Gupta, Sonu; Singh, Ajai K.","Base free N-alkylation of anilines with ArCH<sub>2</sub>OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η<sup>5</sup>-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3764","3774","10.1039/c7dt04326k","","","0.71073","MoKα","","0.0288","0.0192","","","0.0404","0.0431","","","","","","1.024","","","","has coordinates","230001","2020-10-21","18:00:00",""
"7045457","16.8684","0.0009","10.4873","0.0007","40.263","0.002","90","","111.257","0.003","90","","6638.1","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl2 Co O P2 -","- C39 H32 Cl2 Co O P2 -","- C312 H256 Cl16 Co8 O8 P16 -","8","2","","Mondal, Amit Kumar; Sundararajan, Mahesh; Konar, Sanjit","A new series of tetrahedral Co(ii) complexes [CoLX<sub>2</sub>] (X = NCS, Cl, Br, I) manifesting single-ion magnet features.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3745","3754","10.1039/c7dt04007e","","","0.71073","MoKα","","0.1254","0.0561","","","0.1087","0.1387","","","","","","0.984","","","","has coordinates","229990","2020-10-21","18:00:00",""
"7045458","9.5642","0.0008","10.6421","0.0009","18.4548","0.0016","90.493","0.004","101.033","0.004","99.395","0.004","1817.4","0.3","177","2","177","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 Co N2 O P2 S2 -","- C41 H32 Co N2 O P2 S2 -","- C82 H64 Co2 N4 O2 P4 S4 -","2","1","","Mondal, Amit Kumar; Sundararajan, Mahesh; Konar, Sanjit","A new series of tetrahedral Co(ii) complexes [CoLX<sub>2</sub>] (X = NCS, Cl, Br, I) manifesting single-ion magnet features.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3745","3754","10.1039/c7dt04007e","","","0.71073","MoKα","","0.086","0.0479","","","0.108","0.1251","","","","","","1.073","","","","has coordinates","229990","2020-10-21","18:00:00",""
"7045459","16.884","0.002","10.6015","0.0014","40.409","0.005","90","","109.96","0.005","90","","6798.6","1.5","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Br2 Co O P2 -","- C39 H32 Br2 Co O P2 -","- C312 H256 Br16 Co8 O8 P16 -","8","2","","Mondal, Amit Kumar; Sundararajan, Mahesh; Konar, Sanjit","A new series of tetrahedral Co(ii) complexes [CoLX<sub>2</sub>] (X = NCS, Cl, Br, I) manifesting single-ion magnet features.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3745","3754","10.1039/c7dt04007e","","","0.71073","MoKα","","0.1947","0.085","","","0.1083","0.1335","","","","","","1.009","","","","has coordinates","229990","2020-10-21","18:00:00",""
"7045460","8.3584","0.0007","11.8024","0.0009","13.3916","0.0011","99.952","0.002","95.864","0.002","104.444","0.002","1245.36","0.18","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Ni O2 P2 S -","- C22 H40 Ni O2 P2 S -","- C44 H80 Ni2 O4 P4 S2 -","2","1","","Zhang, Jie; Liu, Ting; Ma, Qiang-Qiang; Li, Shujun; Chen, Xuenian","A reaction of [2,6-(<sup>t</sup>Bu<sub>2</sub>PO)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>]NiSCH<sub>2</sub>Ph with BH<sub>3</sub>·THF: borane mediated C-S bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6018","6024","10.1039/c7dt04883a","","","0.71073","MoKα","","0.0716","0.0464","","","0.1013","0.1153","","","","","","1.021","","","","has coordinates,has disorder","229560","2020-10-21","18:00:00",""
"7045461","10.782","0.002","28.514","0.006","13.176","0.003","90","","96.63","0.03","90","","4023.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40.5 F12 N6 O0.25 P2 Ru -","- C40 H40 F12 N6 O0.25 P2 Ru -","- C160 H160 F48 N24 O P8 Ru4 -","4","1","","Sun, Biyun; Southam, Hannah M.; Butler, Jonathan A.; Poole, Robert K.; Burgun, Alexandre; Tarzia, Andrew; Keene, F. Richard; Collins, J. Grant","Synthesis, isomerisation and biological properties of mononuclear ruthenium complexes containing the bis[4(4'-methyl-2,2'-bipyridyl)]-1,7-heptane ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2422","2434","10.1039/c7dt04595f","","","0.71073","MoKα","","0.0636","0.0489","","","0.1201","0.1272","","","","","","1.036","","","","has coordinates","229784","2020-10-21","18:00:00",""
"7045462","9.853","0.002","28.124","0.006","20.632","0.004","90","","92.25","0.03","90","","5713","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 Cl9 F12 N6 P2 Ru -","- C48 H51 Cl9 F12 N6 P2 Ru -","- C192 H204 Cl36 F48 N24 P8 Ru4 -","4","1","","Sun, Biyun; Southam, Hannah M.; Butler, Jonathan A.; Poole, Robert K.; Burgun, Alexandre; Tarzia, Andrew; Keene, F. Richard; Collins, J. Grant","Synthesis, isomerisation and biological properties of mononuclear ruthenium complexes containing the bis[4(4'-methyl-2,2'-bipyridyl)]-1,7-heptane ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2422","2434","10.1039/c7dt04595f","","","0.71073","MoKα","","0.0601","0.0488","","","0.1254","0.1349","","","","","","1.049","","","","has coordinates,has disorder","229784","2020-10-21","18:00:00",""
"7045463","7.2565","0.0005","7.8314","0.0005","17.8401","0.0011","101.755","0.002","93.007","0.002","101.674","0.002","967.38","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 B F2 N4 O2 -","- C22 H17 B F2 N4 O2 -","- C44 H34 B2 F4 N8 O4 -","2","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Time dependent aggregation induced emission enhancement and the study of molecular packing in closely related azo-phenol BODIPY species.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3785","3795","10.1039/c7dt04047d","","","0.71073","MoKα","","0.0696","0.0437","","","0.0968","0.1102","","","","","","1.0797","","","","has coordinates","229991","2020-10-21","18:00:00",""
"7045464","6.3281","0.0008","10.0875","0.0013","31.947","0.004","90","","90.08","","90","","2039.3","0.4","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B F2 N4 O3 -","- C22 H19 B F2 N4 O3 -","- C88 H76 B4 F8 N16 O12 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Time dependent aggregation induced emission enhancement and the study of molecular packing in closely related azo-phenol BODIPY species.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3785","3795","10.1039/c7dt04047d","","","0.71073","MoKα","","0.039","0.036","","","0.0899","0.0925","","","","","","1.076","","","","has coordinates","229991","2020-10-21","18:00:00",""
"7045465","6.9013","0.0006","18.4057","0.0017","15.0143","0.0014","90","","91.438","0.003","90","","1906.6","0.3","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 B F2 N4 O -","- C22 H17 B F2 N4 O -","- C88 H68 B4 F8 N16 O4 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Dwivedi, Bhupendra Kumar; Singh, Vishwa Deepak; Pandey, Daya Shankar","Time dependent aggregation induced emission enhancement and the study of molecular packing in closely related azo-phenol BODIPY species.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3785","3795","10.1039/c7dt04047d","","","0.71073","MoKα","","0.1074","0.0465","","","0.0885","0.1092","","","","","","1.014","","","","has coordinates,has disorder","229991","2020-10-21","18:00:00",""
"7045466","18.2543","0.0015","18.7296","0.0013","22.2646","0.0018","90","","108.248","0.002","90","","7229.4","1","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H53 Dy2 N9 O8 -","- C75 H53 Dy2 N9 O8 -","- C300 H212 Dy8 N36 O32 -","4","1","","Gao, Hong-Ling; Huang, Shao-Xia; Zhou, Xiao-Pu; Liu, Zhen; Cui, Jian-Zhong","Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3503","3511","10.1039/c8dt00063h","","","0.71073","MoKα","","0.0353","0.0276","","","0.0699","0.0741","","","","","","1.027","","","","has coordinates","229251","2020-10-21","18:00:00",""
"7045467","18.2718","0.0009","18.6972","0.0009","22.4643","0.0012","90","","108.682","0.001","90","","7270.1","0.6","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H55.5 N11 O8.5 Tb2 -","- C80 H55.5 N11 O8.5 Tb2 -","- C320 H222 N44 O34 Tb8 -","4","1","","Gao, Hong-Ling; Huang, Shao-Xia; Zhou, Xiao-Pu; Liu, Zhen; Cui, Jian-Zhong","Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3503","3511","10.1039/c8dt00063h","","","0.71073","MoKα","","0.0478","0.0386","","","0.1111","0.119","","","","","","1.028","","","","has coordinates,has disorder","229251","2020-10-21","18:00:00",""
"7045468","18.2768","0.0014","18.6343","0.0013","22.4288","0.0018","90","","108.743","0.002","90","","7233.6","1","113","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H106 Er4 N18 O16 -","- C150 H106 Er4 N18 O16 -","- C300 H212 Er8 N36 O32 -","2","0.5","","Gao, Hong-Ling; Huang, Shao-Xia; Zhou, Xiao-Pu; Liu, Zhen; Cui, Jian-Zhong","Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3503","3511","10.1039/c8dt00063h","","","0.71073","MoKα","","0.0412","0.032","","","0.0813","0.0885","","","","","","1.023","","","","has coordinates,has disorder","229251","2020-10-21","18:00:00",""
"7045469","17.966","0.003","18.828","0.002","22.2","0.004","90","","110.726","0.004","90","","7023.5","1.9","113","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H106 Gd4 N18 O16 -","- C150 H106 Gd4 N18 O16 -","- C300 H212 Gd8 N36 O32 -","2","0.5","","Gao, Hong-Ling; Huang, Shao-Xia; Zhou, Xiao-Pu; Liu, Zhen; Cui, Jian-Zhong","Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3503","3511","10.1039/c8dt00063h","","","0.71073","MoKα","","0.0892","0.0534","","","0.1224","0.1354","","","","","","0.993","","","","has coordinates","229251","2020-10-21","18:00:00",""
"7045470","18.2815","0.0019","18.6756","0.0019","22.401","0.003","90","","108.707","0.002","90","","7244.1","1.4","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H106 Ho4 N18 O16 -","- C150 H106 Ho4 N18 O16 -","- C300 H212 Ho8 N36 O32 -","2","0.5","","Gao, Hong-Ling; Huang, Shao-Xia; Zhou, Xiao-Pu; Liu, Zhen; Cui, Jian-Zhong","Magnetic properties and structure of tetranuclear lanthanide complexes based on 8-hydroxylquinoline Schiff base derivative and β-diketone coligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3503","3511","10.1039/c8dt00063h","","","0.71073","MoKα","","0.0367","0.0286","","","0.0738","0.0788","","","","","","1.016","","","","has coordinates,has disorder","229251","2020-10-21","18:00:00",""
"7045471","9.5477","0.001","12.294","0.0013","12.7589","0.0013","102.363","0.002","107.081","0.002","94.071","0.002","1383.9","0.3","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F6 N6 P Ru -","- C27 H25 F6 N6 P Ru -","- C54 H50 F12 N12 P2 Ru2 -","2","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0259","0.0241","","","0.0582","0.0592","","","","","","1.081","","","","has coordinates","229402","2020-10-21","18:00:00",""
"7045472","12.7453","0.0007","13.6624","0.0007","19.9377","0.001","97.029","0.002","99.656","0.002","94.114","0.002","3381.7","0.3","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H44 Cl2 N12 O8 Ru2 -","- C64 H44 Cl2 N12 O8 Ru2 -","- C128 H88 Cl4 N24 O16 Ru4 -","2","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0683","0.0469","","","0.0879","0.0954","","","","","","1.041","","","","has coordinates,has disorder","229402","2020-10-21","18:00:00",""
"7045473","13.5773","0.001","12.7565","0.0009","17.9162","0.0012","90","","100.516","0.002","90","","3050.9","0.4","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.9 H30.38 N5 O5.9 Ru -","- C34.904 H30.378 N5 O5.9 Ru -","- C139.616 H121.512 N20 O23.6 Ru4 -","4","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0562","0.0408","","","0.1085","0.1181","","","","","","1.045","","","","has coordinates,has disorder","229402","2020-10-21","18:00:00",""
"7045474","9.259","0.001","12.8556","0.0014","17.92","0.002","86.107","0.002","78.113","0.002","88.16","0.002","2082.1","0.4","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Cl2 F6 N5 O4 P Ru -","- C38 H34 Cl2 F6 N5 O4 P Ru -","- C76 H68 Cl4 F12 N10 O8 P2 Ru2 -","2","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.069","0.05","","","0.1152","0.123","","","","","","1.022","","","","has coordinates","229402","2020-10-21","18:00:00",""
"7045475","12.875","0.0012","9.1042","0.0008","27.598","0.003","90","","93.75","0.002","90","","3228","0.5","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 F6 N5 O4 P Ru -","- C31 H30 F6 N5 O4 P Ru -","- C124 H120 F24 N20 O16 P4 Ru4 -","4","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0843","0.0695","","","0.1484","0.1546","","","","","","1.139","","","","has coordinates","229402","2020-10-21","18:00:00",""
"7045476","11.3476","0.0007","12.5085","0.0008","13.5994","0.0009","82.51","0.002","67.804","0.002","81.017","0.002","1760","0.2","100","2","100.04","","","","","","","","","7","P -1","-P 1","2","","","","- C75 H64 F12 N10 O9 P2 Ru2 -","- C75 H68 F12 N10 O9 P2 Ru2 -","- C75 H68 F12 N10 O9 P2 Ru2 -","1","0.5","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0423","0.0293","","","0.0581","0.0615","","","","","","1.06","","","","has coordinates,has disorder","229402","2020-10-21","18:00:00",""
"7045477","8.5931","0.0007","12.6268","0.0011","17.7433","0.0015","93.898","0.002","96.346","0.002","92.495","0.002","1906.5","0.3","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H80 N12 Na2 O16 Ru2 -","- C78 H80 N12 Na2 O16 Ru2 -","- C78 H80 N12 Na2 O16 Ru2 -","1","0.5","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0421","0.0358","","","0.0915","0.0983","","","","","","1.135","","","","has coordinates,has disorder","291143","2024-04-09","08:48:40",""
"7045478","15.5215","0.0008","29.5909","0.0015","18.0996","0.001","90","","92.509","0.001","90","","8305.1","0.8","100","2","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H70 F12 N10 O9 P1.98 Ru2 -","- C77 H70 F12 N10 O9 P1.975 Ru2 -","- C308 H280 F48 N40 O36 P7.9 Ru8 -","4","1","","Thoresen, Eirik Mydske; Balcells, David; Øien-Ødegaard, Sigurd; Hylland, Knut Tormodssønn; Tilset, Mats; Amedjkouh, Mohamed","Cyclometalated ruthenium complexes with carboxylated ligands from a combined experimental/computational perspective.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2589","2601","10.1039/c7dt03935b","","x-ray","0.71073","MoKα","","0.0459","0.0339","","","0.0851","0.0904","","","","","","1.057","","","","has coordinates,has disorder","229402","2020-10-21","18:00:00",""
"7045479","23.237","0.002","10.5234","0.001","12.0981","0.0012","90","","90","","90","","2958.4","0.5","99","2","99","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C38 H34 B2 F2 N4 O -","- C38 H37 B2 F2 N4 O -","- C152 H148 B8 F8 N16 O4 -","4","0.5","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1062","0.0579","","","0.1212","0.1395","","","","","","0.984","","","","has coordinates","229235","2020-10-21","18:00:00",""
"7045480","21.546","0.0009","31.96","0.0012","11.64","0.0004","90","","90","","90","","8015.4","0.5","99","2","99","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39.5 H37.5 B2 Cl4.5 F6 N4 -","- C39.5 H37.5 B2 Cl4.5 F6 N4 -","- C316 H300 B16 Cl36 F48 N32 -","8","1","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1827","0.0697","","","0.1569","0.2183","","","","","","0.999","","","","has coordinates,has disorder","229235","2020-10-21","18:00:00",""
"7045481","11.9721","0.0011","14.8594","0.0013","17.2769","0.0017","90","","90","","90","","3073.5","0.5","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 B F2 N4 -","- C38 H35 B F2 N4 -","- C152 H140 B4 F8 N16 -","4","1","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1619","0.0628","","","0.128","0.1582","","","","","","1.004","","","","has coordinates,has disorder","229235","2020-10-21","18:00:00",""
"7045482","16.1693","0.001","17.8717","0.0011","18.1564","0.0011","83.225","0.004","79.773","0.004","67.472","0.004","4762.1","0.5","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 B2 F12 N4 O -","- C36 H20 B2 F12 N4 O -","- C216 H120 B12 F72 N24 O6 -","6","3","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.3002","0.0767","","","0.1676","0.2546","","","","","","0.943","","","","has coordinates,has disorder","229235","2020-10-21","18:00:00",""
"7045483","7.358","0.0006","6.3903","0.0006","15.2247","0.0016","90","","90.318","0.009","90","","715.85","0.12","293","2","150","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- Cl Na O2.5 P0.5 V0.5 -","- Cl Na O2.5 P0.5 V0.5 -","- Cl8 Na8 O20 P4 V4 -","8","1","","Weetman, Catherine; Notman, Stuart; Arnold, Polly L.","Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2568","2574","10.1039/c7dt04805j","","x-ray","0.71073","MoKα","","0.1138","0.0977","","","0.2447","0.2631","","","","","","1.126","","","","has coordinates","229410","2020-10-21","18:00:00",""
"7045484","10.0819","0.0005","15.295","0.0006","20.4679","0.001","90","","90","","90","","3156.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'compound 8''","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0623","0.0478","","","0.0955","0.0992","","","","","","1.051","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045485","35.198","0.002","10.8799","0.0007","6.5582","0.0004","90","","100.146","0.003","90","","2472.2","0.3","130","2","130","2","","","","","","","","7","C 1 2 1","C 2y","5","","'iPrFOTMSAu(I)'","","- C50 H64 Au2 Fe2 N2 O2 Si2 -","- C50 H64 Au2 Fe2 N2 O2 Si2 -","- C100 H128 Au4 Fe4 N4 O4 Si4 -","2","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0293","0.0261","","","0.0575","0.0582","","","","","","1.028","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045486","10.3753","0.0007","16.1108","0.0009","25.1352","0.0014","90","","90","","90","","4201.5","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'tBuFOMeAu(II)Cl'","","- C38 H48 Au2 Cl6 Fe2 N2 O2 -","- C38 H48 Au2 Cl6 Fe2 N2 O2 -","- C152 H192 Au8 Cl24 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0401","0.0274","","","0.0365","0.0382","","","","","","0.915","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045487","12.9929","0.0013","17.6784","0.0017","13.3992","0.0013","90","","106.431","0.004","90","","2952","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","'Me2FOMeAu(I)'","","- C32 H36 Au2 Fe2 N2 O2 -","- C32 H36 Au2 Fe2 N2 O2 -","- C128 H144 Au8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0358","0.0249","","","0.0452","0.047","","","","","","1.039","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045488","12.2325","0.0008","16.4711","0.001","13.754","0.0009","90","","102.392","0.004","90","","2706.6","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","'Me2FOAu(I)'","","- C30 H32 Au2 Fe2 N2 O2 -","- C30 H32 Au2 Fe2 N2 O2 -","- C120 H128 Au8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0566","0.0377","","","0.0908","0.1039","","","","","","1.052","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045489","9.0827","0.0009","16.1005","0.0013","20.765","0.002","90","","90","","90","","3036.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'(Rp)-iPrFOAu(II)Cl'","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0744","0.043","","","0.0579","0.0638","","","","","","0.883","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045490","19.7785","0.001","19.7785","0.001","35.613","0.002","90","","90","","90","","13931.4","1.3","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","'compound 7'","","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C66.5 H77 Au4 Cl5 Fe4 N4 O4 -","- C532 H616 Au32 Cl40 Fe32 N32 O32 -","8","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0316","0.0244","","","0.0538","0.0561","","","","","","1.037","","","","has coordinates,has disorder","229993","2020-10-21","18:00:00",""
"7045491","14.536","0.002","10.3088","0.0016","18.813","0.003","90","","111.418","0.002","90","","2624.4","0.7","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H26 F N3 O2 -","- C32 H26 F N3 O2 -","- C128 H104 F4 N12 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0815","0.0445","","","0.0838","0.096","","","","","","0.999","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045492","19.4272","0.0012","21.3813","0.001","9.1942","0.0005","90","","90","","90","","3819.1","0.4","130","2","130","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","'iPrFOMeAu(II)Br'","","- C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 -","- C35 H41 Au2 Br2 Cl3 Fe2 N2 O2 -","- C140 H164 Au8 Br8 Cl12 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0481","0.0331","","","0.0554","0.058","","","","","","1.021","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045493","9.0018","0.0005","35.4443","0.0017","14.124","0.0007","90","","90.394","0.003","90","","4506.3","0.4","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","'Ph2FOMeAu(II)Cl'","","- C52 H44 Au2 Cl2 Fe2 N2 O2 -","- C52 H44 Au2 Cl2 Fe2 N2 O2 -","- C208 H176 Au8 Cl8 Fe8 N8 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0527","0.0481","","","0.1071","0.1086","","","","","","1.045","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045494","18.6557","0.001","14.9639","0.0008","6.5471","0.0004","90","","100.348","0.004","90","","1797.97","0.18","130","2","130","2","","","","","","","","6","C 1 2 1","C 2y","5","","'iPrFOMeAu(I)'","","- C38 H50 Au2 Fe2 N2 O3 -","- C38 H50 Au2 Fe2 N2 O3 -","- C76 H100 Au4 Fe4 N4 O6 -","2","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0399","0.028","","","0.0466","0.0485","","","","","","1.006","","","","has coordinates,has disorder","229993","2020-10-21","18:00:00",""
"7045495","19.1746","0.0012","21.4485","0.0011","9.1603","0.0006","90","","90","","90","","3767.3","0.4","130","2","130","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","'iPrFOMeAu(II)Cl'","","- C35 H41 Au2 Cl5 Fe2 N2 O2 -","- C35 H41 Au2 Cl5 Fe2 N2 O2 -","- C140 H164 Au8 Cl20 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0411","0.0297","","","0.0525","0.0543","","","","","","1.057","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045496","10.9149","0.0007","10.9149","0.0007","24.7765","0.0018","90","","90","","120","","2556.3","0.3","130","2","130","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","'tBuFOMeAu(I)'","","- C36 H44 Au2 Fe2 N2 O2 -","- C36 H44 Au2 Fe2 N2 O2 -","- C108 H132 Au6 Fe6 N6 O6 -","3","0.5","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0252","0.022","","","0.0354","0.0359","","","","","","1.046","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045497","15.339","0.002","9.3952","0.0011","27.543","0.005","90","","95.049","0.014","90","","3953.9","1","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","'IndFOMeAu(II)Cl'","","- C43 H38 Au2 Cl4 Fe2 N2 O2 -","- C43 H38 Au2 Cl4 Fe2 N2 O2 -","- C172 H152 Au8 Cl16 Fe8 N8 O8 -","4","2","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","1.54178","CuKα","","0.186","0.1124","","","0.2335","0.2615","","","","","","1.054","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045498","6.7822","0.0006","12.1326","0.0009","37.407","0.003","90","","90","","90","","3078.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Rp)-iPrFOAu(I)'","","- C32 H36 Au2 Fe2 N2 O2 -","- C32 H36 Au2 Fe2 N2 O2 -","- C128 H144 Au8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","1.54178","CuKα","","0.0501","0.0331","","","0.0594","0.0628","","","","","","0.987","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045499","23.3697","0.0004","23.3697","0.0004","20.7308","0.0009","90","","90","","90","","11322","0.6","296","2","296","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C48 H112 Ga4 Mn6 N16 S20 Sn4 -","- C48 H112 Ga4.0002 Mn5.9998 N16 S20 Sn4 -","- C192 H448 Ga16.0008 Mn23.9992 N64 S80 Sn16 -","4","","","Zhang, Yingying; Hu, Dandan; Xue, Chaozhuang; Yang, Huajun; Wang, Xiang; Wu, Tao","A 3D Neutral Chalcogenide Framework Built from Supertetrahedral T3 Cluster and Metal Complex for Electrocatalytic Oxygen Reduction Reaction.","Dalton Transactions","2018","","","","","10.1039/C7DT04891B","","","0.71073","MoKα","","0.073","0.0434","","","0.091","0.1084","","","","","","1.076","","","","has coordinates,has disorder","206003","2020-10-21","18:00:00",""
"7045500","9.2283","0.0009","15.0673","0.001","25.829","0.002","90","","98.81","0.008","90","","3549","0.5","287.4","0.4","287.4","0.4","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C29 H24.5 N7 Ni O6 -","- C29 H27 N7 Ni O6 -","- C116 H108 N28 Ni4 O24 -","4","1","","Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang","Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI)","Dalton Transactions","2018","","","","","10.1039/C8DT00206A","","x-ray","0.71073","MoKα","","0.1022","0.0826","","","0.227","0.2468","","","","","","1.076","","","","has coordinates,has disorder","206005","2020-10-21","18:00:00",""
"7045501","16.5393","0.0006","16.5393","0.0006","21.597","0.002","90","","90","","120","","5116.3","0.5","100","2","100","2","","","","","","","","4","R -3","-R 3","148","","","","- C54 H42 Cd N14 -","- C54 H42 Cd N14 -","- C162 H126 Cd3 N42 -","3","","","Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang","Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI)","Dalton Transactions","2018","","","","","10.1039/C8DT00206A","","","0.71073","MoKα","","0.1174","0.0941","","","0.2104","0.2252","","","","","","1.124","","","","has coordinates","206005","2020-10-21","18:00:00",""
"7045502","10.284","0.0015","10.5727","0.0015","23.865","0.003","90","","100.149","0.003","90","","2554.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H39 K N4 O Si3 Ti -","- C15 H39 K N4 O Si3 Ti -","- C60 H156 K4 N16 O4 Si12 Ti4 -","4","1","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.0597","0.0405","","","0.0882","0.0972","","","","","","1.025","","","","has coordinates","229247","2020-10-21","18:00:00",""
"7045503","16.8069","0.0018","17.8453","0.0019","17.9679","0.0019","94.24","0.002","92.638","0.003","92.916","0.003","5360.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H56 B Cl8 N5 Si3 Ti -","- C44 H56 B Cl8 N5 Si3 Ti -","- C176 H224 B4 Cl32 N20 Si12 Ti4 -","4","2","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.1107","0.0612","","","0.1271","0.1494","","","","","","1.015","","","","has coordinates","229247","2020-10-21","18:00:00",""
"7045504","24.6983","0.0014","17.2605","0.001","24.7312","0.0014","90","","90","","90","","10543","1","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C43 H61 B Cl8 N4 O Si3 Ti -","- C43 H61 B Cl8 N4 O Si3 Ti -","- C344 H488 B8 Cl64 N32 O8 Si24 Ti8 -","8","2","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.0818","0.0401","","","0.0661","0.0731","","","","","","0.675","","","","has coordinates,has disorder","229247","2020-10-21","18:00:00",""
"7045505","11.2553","0.0007","27.0488","0.0017","23.3434","0.0015","90","","91.2981","0.0013","90","","7104.9","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H79 B F20 N8 O2 Si6 Ti2 -","- C55 H79 B F20 N8 O2 Si6 Ti2 -","- C220 H316 B4 F80 N32 O8 Si24 Ti8 -","4","1","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.0655","0.0388","","","0.0623","0.0688","","","","","","0.797","","","","has coordinates","229247","2020-10-21","18:00:00",""
"7045506","13.75","0.005","14.046","0.006","14.333","0.006","85.429","0.007","88.237","0.007","60.975","0.006","2412.7","1.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H102 B2 Cl16 N8 O4 Si6 Ti2 -","- C80 H102 B2 Cl16 N8 O4 Si6 Ti2 -","- C80 H102 B2 Cl16 N8 O4 Si6 Ti2 -","1","0.5","","Paparo, A.; van Krüchten, F D; Spaniol, T. P.; Okuda, J.","Formate complexes of titanium(iv) supported by a triamido-amine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3530","3537","10.1039/c7dt04859a","","","0.71073","MoKα","","0.1729","0.0952","","","0.2399","0.2853","","","","","","1.045","","","","has coordinates","229247","2020-10-21","18:00:00",""
"7045507","17.3871","0.001","16.0371","0.0009","22.7948","0.0013","90","","90","","90","","6356.1","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H64 Cd4 N16 O4 S8 -","- C48 H64 Cd4 N16 O4 S8 -","- C192 H256 Cd16 N64 O16 S32 -","4","0.5","","Wang, Yaqin; Xu, Xinxin; Lu, Wei; Huo, Yuqiu; Bian, Lijun","A sulfur vacancy rich CdS based composite photocatalyst with g-C<sub>3</sub>N<sub>4</sub> as a matrix derived from a Cd-S cluster assembled supramolecular network for H<sub>2</sub> production and VOC removal.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4219","4227","10.1039/c7dt04912a","","","0.71073","MoKα","","0.0545","0.0386","","","0.0971","0.1094","","","","","","0.983","","","","has coordinates","230040","2020-10-21","18:00:00",""
"7045508","16.0667","0.0007","17.5351","0.0008","23.8145","0.0011","90","","90","","90","","6709.3","0.5","151","2","151","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H90 Ge9 Si12 -","- C32 H90 Ge9 Si12 -","- C128 H360 Ge36 Si48 -","4","1","","Frischhut, Sabine; Fässler, Thomas F","Synthesis of low-oxidation-state germanium clusters comprising a functional anchor group - synthesis and characterization of [(Ge<sup>0</sup>)<sub>5</sub>(Ge-R)<sub>3</sub>(Ge-(CH<sub>2</sub>)<sub>n</sub>-CH[double bond, length as m-dash]CH<sub>2</sub>)] with R = Si(SiMe<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3223","3226","10.1039/c8dt00321a","","","0.71073","MoKα","","0.0203","0.0174","","","0.042","0.0441","","","","","","1.09","","","","has coordinates,has disorder","229242","2020-10-21","18:00:00",""
"7045509","10.1753","0.0002","19.4723","0.0004","14.0281","0.0002","90","","97.973","0.002","90","","2752.61","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 Br6 Cl2 P2 Se -","- C14 H32 Br6 Cl2 P2 Se -","- C56 H128 Br24 Cl8 P8 Se4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0339","0.0253","","","0.0457","0.0476","","","","","","1.063","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045510","9.6944","0.0007","11.7111","0.0008","17.8163","0.0006","88.036","0.004","77.486","0.004","78.064","0.006","1931.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Br12 P2 Se2 -","- C25 H22 Br12 P2 Se2 -","- C50 H44 Br24 P4 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","1.54184","CuKα","","0.0392","0.0297","","","0.0677","0.0733","","","","","","1.032","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045511","13.0635","0.0003","9.5315","0.0002","20.8476","0.0005","90","","90.676","0.002","90","","2595.65","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Br6 O4 P4 Se2 -","- C50 H46 Br6 O4 P4 Se2 -","- C100 H92 Br12 O8 P8 Se4 -","2","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","1.54184","CuKα","","0.0367","0.0263","","","0.0569","0.0617","","","","","","1.047","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045512","7.4264","0.0002","28.7031","0.0005","10.8682","0.0002","90","","96.958","0.002","90","","2299.61","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H31 Br4 P2 Se -","- C14 H31 Br4 P2 Se -","- C56 H124 Br16 P8 Se4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","1.54184","CuKα","","0.0482","0.0432","","","0.1015","0.1048","","","","","","1.073","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045513","8.6379","0.0004","14.2975","0.0005","10.2018","0.0003","90","","95.358","0.004","90","","1254.42","0.08","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H30 I4 P2 Se2 -","- C13 H30 I4 P2 Se2 -","- C26 H60 I8 P4 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0216","0.02","","","0.0386","0.0393","","","","","","1.035","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045514","29.346","0.002","13.8633","0.0005","20.2475","0.0008","90","","99.575","0.004","90","","8122.6","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H62 Br4 O4 P4 Se2 -","- C26 H62 Br4 O4 P4 Se2 -","- C208 H496 Br32 O32 P32 Se16 -","8","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.058","0.0353","","","0.0642","0.0698","","","","","","1.049","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045515","16.2568","0.0005","9.4204","0.0003","15.9393","0.0006","90","","107.253","0.004","90","","2331.2","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H32 Br4 P2 Se2 -","- C14 H32 Br4 P2 Se2 -","- C56 H128 Br16 P8 Se8 -","4","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0385","0.0323","","","0.0517","0.0531","","","","","","1.205","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045516","7.7755","0.0007","9.355","0.0008","9.4012","0.0009","105.549","0.008","98.76","0.008","98.357","0.008","638.56","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 I4 P2 Se2 -","- C14 H32 I4 P2 Se2 -","- C14 H32 I4 P2 Se2 -","1","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0287","0.022","","","0.0382","0.0401","","","","","","1.037","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045517","10.4767","0.0003","15.581","0.0008","18.6525","0.0009","88.335","0.004","77.26","0.003","89.954","0.003","2968.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 I8 P4 Se4 -","- C50 H44 I8 P4 Se4 -","- C100 H88 I16 P8 Se8 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0635","0.0449","","","0.11","0.114","","","","","","1.016","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045518","10.4803","0.0005","11.8359","0.0008","12.1607","0.0006","68.775","0.006","85.723","0.004","86.8","0.005","1401.54","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Br8 O4 P4 Se3 -","- C50 H46 Br8 O4 P4 Se3 -","- C50 H46 Br8 O4 P4 Se3 -","1","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0607","0.042","","","0.0841","0.0907","","","","","","1.036","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045519","11.2185","0.0002","6.75","0.0002","24.9397","0.0005","90","","93.656","0.002","90","","1884.71","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br4 P2 Se2 -","- C38 H36 Br4 P2 Se2 -","- C76 H72 Br8 P4 Se4 -","2","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","1.54184","CuKα","","0.0325","0.0292","","","0.0737","0.0759","","","","","","1.075","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045520","9.5936","0.0002","16.1956","0.0003","15.7995","0.0003","90","","103.381","0.002","90","","2388.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 P2 Se2 -","- C26 H24 P2 Se2 -","- C104 H96 P8 Se8 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0348","0.0264","","","0.0553","0.058","","","","","","1.036","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045521","12.1314","0.0004","16.1003","0.0004","14.964","0.0005","90","","111.591","0.004","90","","2717.68","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 P2 Se2 -","- C27 H26 Cl2 P2 Se2 -","- C108 H104 Cl8 P8 Se8 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0441","0.0332","","","0.0758","0.08","","","","","","1.04","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045522","15.8873","0.0003","9.6949","0.0002","18.3533","0.0005","90","","101.565","0.003","90","","2769.49","0.11","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H24 Br4 P2 S -","- C26 H24 Br4 P2 S -","- C104 H96 Br16 P8 S4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0354","0.0279","","","0.0519","0.0539","","","","","","1.055","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045523","9.3133","0.0005","10.4104","0.0004","10.1508","0.0004","90","","104.577","0.004","90","","952.49","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 P2 Se2 -","- C14 H32 P2 Se2 -","- C28 H64 P4 Se4 -","2","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0433","0.0309","","","0.0604","0.0643","","","","","","1.068","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045524","13.7347","0.0004","10.4735","0.0003","12.6411","0.0004","90","","100.759","0.003","90","","1786.46","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H30 P2 Se2 -","- C13 H30 P2 Se2 -","- C52 H120 P8 Se8 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0335","0.025","","","0.0506","0.0534","","","","","","1.046","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045525","8.5395","0.0004","11.2623","0.0007","21.3286","0.0008","90.356","0.004","101.185","0.004","105.297","0.004","1937.44","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Br24 P4 Se3 -","- C52 H48 Br24 P4 Se3 -","- C52 H48 Br24 P4 Se3 -","1","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0668","0.0392","","","0.0627","0.0698","","","","","","1.026","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045526","10.121","0.0002","17.1331","0.0004","17.688","0.0004","90","","90.514","0.002","90","","3067.05","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 I4 P2 Se2 -","- C26 H24 I4 P2 Se2 -","- C104 H96 I16 P8 Se8 -","4","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0338","0.0256","","","0.0459","0.0481","","","","","","1.139","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045527","9.477","0.0004","9.7121","0.0005","17.9114","0.0007","93.546","0.004","93.715","0.003","110.679","0.004","1532.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 I4 P2 Se2 -","- C25 H22 I4 P2 Se2 -","- C50 H44 I8 P4 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0285","0.0218","","","0.0408","0.0429","","","","","","1.052","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045528","33.378","0.002","9.7846","0.0006","16.5575","0.0009","90","","102.1","0.006","90","","5287.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H22.14 Br3.86 P2 S -","- C25 H22 Br3.86345 P2 S -","- C200 H176 Br30.9076 P16 S8 -","8","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.058","0.0389","","","0.0701","0.0754","","","","","","1.051","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045529","10.2092","0.0004","13.8414","0.0005","16.6253","0.0006","81.773","0.004","73.151","0.004","73.308","0.004","2149.13","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H62 Br6 O4 P4 Se2 -","- C26 H62 Br6 O4 P4 Se2 -","- C52 H124 Br12 O8 P8 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0414","0.027","","","0.0483","0.0518","","","","","","1.046","","","","has coordinates,has disorder","229408","2020-10-21","18:00:00",""
"7045530","8.6805","0.0005","8.9116","0.0005","16.693","0.0008","100.22","0.005","90.63","0.004","116.279","0.006","1133.61","0.13","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Br4 P2 Se2 -","- C13 H30 Br4 P2 Se2 -","- C26 H60 Br8 P4 Se4 -","2","1","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0401","0.0277","","","0.054","0.0574","","","","","","1.041","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045531","7.8144","0.0003","8.7133","0.0005","9.943","0.0007","108.707","0.006","93.299","0.004","102.917","0.005","618.86","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 Br6 P2 Se -","- C14 H32 Br6 P2 Se -","- C14 H32 Br6 P2 Se -","1","0.5","","Upmann, Daniel; Jones, Peter G.","Bromination and iodination of diphosphane dichalcogenides.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2748","2758","10.1039/c7dt04531j","","","0.71073","MoKα","","0.0322","0.0251","","","0.0475","0.0499","","","","","","1.063","","","","has coordinates","229408","2020-10-21","18:00:00",""
"7045532","7.9778","0.0004","7.9778","0.0004","17.3831","0.0015","90","","90","","90","","1106.35","0.12","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C12 H10 Cl0 Co N2 O4 -","- C12 H10 Co N2 O4 -","- C48 H40 Co4 N8 O16 -","4","0.5","","Zhang, Ming; Wang, Liwen; Zeng, Tianyu; Shang, Qigao; Zhou, Hong; Pan, Zhiquan; Cheng, Qingrong","Two pure MOF-photocatalysts readily prepared for the degradation of methylene blue dye under visible light.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4251","4258","10.1039/c8dt00156a","","","0.71073","MoKα","","0.0501","0.0354","","","0.064","0.0674","","","","","","1.047","","","","has coordinates","230039","2020-10-21","18:00:00",""
"7045533","14.2202","0.0005","14.2202","0.0005","38.543","0.004","90","","90","","90","","7793.9","0.9","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H8 Cl Cu N2 O0 -","- C10 H8 Cl Cu N2 -","- C320 H256 Cl32 Cu32 N64 -","32","1","","Zhang, Ming; Wang, Liwen; Zeng, Tianyu; Shang, Qigao; Zhou, Hong; Pan, Zhiquan; Cheng, Qingrong","Two pure MOF-photocatalysts readily prepared for the degradation of methylene blue dye under visible light.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4251","4258","10.1039/c8dt00156a","","","0.71073","MoKα","","0.157","0.0707","","","0.1684","0.2041","","","","","","1.196","","","","has coordinates","230039","2020-10-21","18:00:00",""
"7045534","10.8694","0.0006","11.1391","0.0006","16.089","0.0009","84.665","0.001","73.545","0.001","62.101","0.001","1649.26","0.16","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H45 F6 N2 O10 P -","- C25 H45 F6 N2 O10 P -","- C50 H90 F12 N4 O20 P2 -","2","1","","Liu, Yi; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui; Tang, Yun-Zhi","Reversible phase transition and switchable dielectric behaviors triggered by rotation and order-disorder motions of crowns.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3851","3856","10.1039/c8dt00003d","","","0.71073","MoKα","","0.1535","0.1185","","","0.3752","0.4168","","","","","","1.671","","","","has coordinates","229997","2020-10-21","18:00:00",""
"7045535","10.7115","0.0009","17.7665","0.0015","18.5118","0.0016","65.933","0.002","87.306","0.002","86.158","0.002","3208.7","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H90 F12 N4 O20 P2 -","- C50 H90 F12 N4 O20 P2 -","- C100 H180 F24 N8 O40 P4 -","2","1","","Liu, Yi; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui; Tang, Yun-Zhi","Reversible phase transition and switchable dielectric behaviors triggered by rotation and order-disorder motions of crowns.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3851","3856","10.1039/c8dt00003d","","","0.71073","MoKα","","0.1417","0.1","","","0.2499","0.2883","","","","","","1.056","","","","has coordinates","229997","2020-10-21","18:00:00",""
"7045536","10.4494","0.0006","9.2354","0.0005","23.1562","0.0013","90","","90.078","0.002","90","","2234.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Pt(PPh2H)(u-PPh2)I]2","","- C48 H42 I2 P4 Pt2 -","- C48 H42 I2 P4 Pt2 -","- C96 H84 I4 P8 Pt4 -","2","0.5","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.0467","0.035","","","0.0698","0.0804","","","","","","1.089","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045537","11.0162","0.0011","13.401","0.0014","16.5488","0.0017","110.291","0.005","98.272","0.006","94.867","0.006","2243.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H39 B N2 Ni P2 -","- C43 H39 B N2 Ni P2 -","- C86 H78 B2 N4 Ni2 P4 -","2","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.0868","0.0658","","","0.1757","0.1902","","","","","","1.011","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045538","16.209","0.0005","12.6755","0.0005","16.7152","0.0007","90","","90","","90","","3434.3","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H43 B Ni P2 -","- C41 H43 B Ni P2 -","- C164 H172 B4 Ni4 P8 -","4","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.1009","0.0532","","","0.0722","0.0816","","","","","","1.011","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045539","12.1658","0.0007","13.5588","0.0009","14.0817","0.0009","77.118","0.002","70.587","0.002","85.824","0.002","2135.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H53 B Ni P2 -","- C52 H53 B Ni P2 -","- C104 H106 B2 Ni2 P4 -","2","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.0922","0.0575","","","0.1215","0.1348","","","","","","1.046","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045540","10.4431","0.0011","12.0491","0.0012","13.1755","0.0012","96.138","0.007","109.587","0.007","100.699","0.007","1508.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","platinum complex","","- C35 H37 B P2 Pt -","- C35 H37 B P2 Pt -","- C70 H74 B2 P4 Pt2 -","2","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.0845","0.0567","","","0.1341","0.1487","","","","","","1.051","","","","has coordinates","229987","2020-10-21","18:00:00",""
"7045541","12.3295","0.0006","19.2099","0.0009","27.5709","0.0013","90","","94.522","0.002","90","","6509.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70.88 H74.65 B2 I1.12 O P4 Pt -","- C70.884 H74.652 B2 I1.1159 O P4 Pt -","- C283.536 H298.608 B8 I4.4636 O4 P16 Pt4 -","4","1","","Drover, Marcus W.; Peters, Jonas C.","Expanding the allyl analogy: accessing η<sup>3</sup>-P,B,P diphosphinoborane complexes of group 10.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3733","3738","10.1039/c8dt00058a","","","0.71073","MoKα","","0.0486","0.0334","","","0.0722","0.0757","","","","","","1.072","","","","has coordinates,has disorder","229987","2020-10-21","18:00:00",""
"7045542","13.696","0.003","12.695","0.002","8.0211","0.0014","90","","125.512","0.002","90","","1135.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H4 Cu3 I N8 -","- C8 H4 Cu3 I N8 -","- C32 H16 Cu12 I4 N32 -","4","0.5","","Xiao, Hong; Zhou, Jian; Liu, Xing; Xiao, Hongping; Ferreira, Rute A. S.; Carlos, Luís D; Fu, Lianshe","A novel 3-D cuprous iodide polymer with a high Cu/I ratio.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3253","3257","10.1039/c8dt00054a","","","0.71073","MoKα","","0.0194","0.0181","","","0.0441","0.0452","","","","","","1.148","","","","has coordinates","229234","2020-10-21","18:00:00",""
"7045543","13.79","0.005","12.7","0.003","8.1008","0.0018","90","","125.962","0.003","90","","1148.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H4 Cu3 I N8 -","- C8 H4 Cu3 I N8 -","- C32 H16 Cu12 I4 N32 -","4","0.5","","Xiao, Hong; Zhou, Jian; Liu, Xing; Xiao, Hongping; Ferreira, Rute A. S.; Carlos, Luís D; Fu, Lianshe","A novel 3-D cuprous iodide polymer with a high Cu/I ratio.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3253","3257","10.1039/c8dt00054a","","","0.71073","MoKα","","0.0225","0.0206","","","0.0534","0.0542","","","","","","1.078","","","","has coordinates","229234","2020-10-21","18:00:00",""
"7045544","13.766","0.002","12.7157","0.0018","8.075","0.0011","90","","125.8","0.002","90","","1146.4","0.3","220","2","220","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H4 Cu3 I N8 -","- C8 H4 Cu3 I N8 -","- C32 H16 Cu12 I4 N32 -","4","0.5","","Xiao, Hong; Zhou, Jian; Liu, Xing; Xiao, Hongping; Ferreira, Rute A. S.; Carlos, Luís D; Fu, Lianshe","A novel 3-D cuprous iodide polymer with a high Cu/I ratio.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3253","3257","10.1039/c8dt00054a","","","0.71073","MoKα","","0.021","0.0194","","","0.0491","0.0498","","","","","","1.093","","","","has coordinates","229234","2020-10-21","18:00:00",""
"7045545","13.716","0.002","12.69","0.002","8.0424","0.0014","90","","125.674","0.002","90","","1137.1","0.3","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H4 Cu3 I N8 -","- C8 H4 Cu3 I N8 -","- C32 H16 Cu12 I4 N32 -","4","0.5","","Xiao, Hong; Zhou, Jian; Liu, Xing; Xiao, Hongping; Ferreira, Rute A. S.; Carlos, Luís D; Fu, Lianshe","A novel 3-D cuprous iodide polymer with a high Cu/I ratio.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3253","3257","10.1039/c8dt00054a","","","0.71073","MoKα","","0.0203","0.0188","","","0.0541","0.0548","","","","","","1.157","","","","has coordinates","229234","2020-10-21","18:00:00",""
"7045546","47.4786","0.0014","47.4786","","11.5392","0.0004","90","","90","","120","","22526.9","1","150","","150","","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C36 H37 Cl2 Dy F9 N5 O14 S3 -","- C36 H37 Cl2 Dy F9 N5 O14 S3 -","- C648 H666 Cl36 Dy18 F162 N90 O252 S54 -","18","","","Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane","Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes","Dalton Transactions","2018","","","","","10.1039/C8DT00299A","","x-ray","0.71073","MoKα","","0.0479","0.0437","","","0.119","0.1223","","","","","","1.034","","","","has coordinates","206225","2020-10-21","18:00:00",""
"7045547","47.523","0.004","47.523","","11.4949","0.0012","90","","90","","120","","22482","3","150","","150","","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C35 H33 Cl2 F6 N5 O11 S2 Y -","- C35 H33 Cl2 F6 N5 O11 S2 Y -","- C630 H594 Cl36 F108 N90 O198 S36 Y18 -","18","","","Selvanathan, Pramila; Dorcet, Vincent; Roisnel, Thierry; Bernot, Kevin; Huang, Gang; Le Guennic, Boris; Norel, Lucie; Rigaut, Stephane","Trans to cis photo-isomerization in merocyanine dysprosium and yttrium complexes","Dalton Transactions","2018","","","","","10.1039/C8DT00299A","","x-ray","0.71073","MoKα","","0.2503","0.0856","","","0.1662","0.2248","","","","","","0.948","","","","has coordinates","206225","2020-10-21","18:00:00",""
"7045548","14.77","0.005","14.77","0.005","12.583","0.005","90","0.005","90","0.005","90","0.005","2745","1.7","293","2","293","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C56 H36 Cr2 N8 Nb2 O22 -","- C56 H36 Cr2 N8 Nb2 O22 -","- C112 H72 Cr4 N16 Nb4 O44 -","2","0.25","","Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor","From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr<sup>III</sup>Nb<sup>V</sup>] complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4183","4190","10.1039/c7dt04724j","","","1.54179","CuKα","","0.0945","0.0658","","","","0.1891","","","","","","1.108","","","","has coordinates","230037","2020-10-21","18:00:00",""
"7045549","11.0343","0.0009","17.4862","0.0014","11.9713","0.0007","90","","90.766","0.003","90","","2309.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cr2 N6 Nb2 O26 -","- C38 H34 Cr2 N6 Nb2 O26 -","- C76 H68 Cr4 N12 Nb4 O52 -","2","0.5","","Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor","From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr<sup>III</sup>Nb<sup>V</sup>] complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4183","4190","10.1039/c7dt04724j","","","0.71073","MoKα","","0.0596","0.0372","","","0.0769","0.0851","","","","","","1.043","","","","has coordinates","230037","2020-10-21","18:00:00",""
"7045550","14.206","0.005","14.903","0.005","15.71","0.005","71.44","0.005","88.232","0.005","68.059","0.005","2909.9","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H35 Cr3 N9 Nb O25.19 -","- C55 H35 Cr3 N9 Nb O25.188 -","- C110 H70 Cr6 N18 Nb2 O50.376 -","2","1","","Jurić, Marijana; Androš Dubraja, Lidija; Popović, Jasminka; Molčanov, Krešimir; Torić, Filip; Pajić, Damir; Lončarić, Ivor","From a square core to square opening: structural diversity and magnetic properties of the oxo-bridged [Cr<sup>III</sup>Nb<sup>V</sup>] complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4183","4190","10.1039/c7dt04724j","","x-ray","0.71073","MoKα","","0.0619","0.0391","","","0.0856","0.0941","","","","","","1.037","","","","has coordinates","230037","2020-10-21","18:00:00",""
"7045551","23.3415","0.0014","19.3496","0.0011","21.0787","0.0013","90","","116.39","0.001","90","","8528.1","0.9","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 N3 O Si2 Y -","- C37 H66 N3 O Si2 Y -","- C296 H528 N24 O8 Si16 Y8 -","8","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.1774","0.0529","","","0.1007","0.1354","","","","","","0.923","","","","has coordinates,has disorder","230005","2020-10-21","18:00:00",""
"7045552","11.0943","0.0011","11.3822","0.0012","17.106","0.0017","103.683","0.001","97.066","0.001","100.445","0.001","2032.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H55 N4 Si Yb -","- C40 H55 N4 Si Yb -","- C80 H110 N8 Si2 Yb2 -","2","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0381","0.0277","","","0.0603","0.0635","","","","","","1.119","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045553","11.8774","0.0014","13.9863","0.0017","15.4143","0.0019","88.177","0.001","68.369","0.001","76.284","0.001","2308","0.5","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H104 Er2 N6 Si2 -","- C74 H104 Er2 N6 Si2 -","- C74 H104 Er2 N6 Si2 -","1","0.5","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0662","0.0435","","","0.1042","0.1132","","","","","","1.018","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045554","23.2648","0.0019","19.3033","0.0016","21.06","0.0018","90","","116.292","0.001","90","","8479.4","1.2","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 N3 O Si2 Yb -","- C37 H66 N3 O Si2 Yb -","- C296 H528 N24 O8 Si16 Yb8 -","8","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0556","0.0306","","","0.0644","0.0773","","","","","","1.046","","","","has coordinates,has disorder","230005","2020-10-21","18:00:00",""
"7045555","11.7518","0.0016","17.743","0.002","19.507","0.003","72.717","0.002","85.83","0.002","86.011","0.002","3868.6","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H56 N5 Y -","- C41 H56 N5 Y -","- C164 H224 N20 Y4 -","4","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.1207","0.06","","","0.1404","0.1731","","","","","","0.912","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045556","23.352","0.002","19.347","0.002","21.045","0.002","90","","116.378","0.001","90","","8518","1.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 Dy N3 O Si2 -","- C37 H66 Dy N3 O Si2 -","- C296 H528 Dy8 N24 O8 Si16 -","8","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0548","0.0312","","","0.0688","0.0803","","","","","","1.029","","","","has coordinates,has disorder","230005","2020-10-21","18:00:00",""
"7045557","11.7631","0.0009","17.7324","0.0013","19.4789","0.0015","72.719","0.001","85.737","0.001","85.928","0.001","3863.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H56 Er N5 -","- C41 H56 Er N5 -","- C164 H224 Er4 N20 -","4","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0876","0.0422","","","0.0699","0.0812","","","","","","0.988","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045558","12.0511","0.0009","20.7963","0.0015","23.9256","0.0017","90","","90","","90","","5996.2","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H92 N5 Si2 Yb -","- C58 H92 N5 Si2 Yb -","- C232 H368 N20 Si8 Yb4 -","4","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.085","0.0429","","","0.071","0.0831","","","","","","0.922","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045559","15.441","0.003","19.768","0.004","27.157","0.006","90","","101.637","0.002","90","","8119","3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H55 Er N4 Si -","- C40 H55 Er N4 Si -","- C320 H440 Er8 N32 Si8 -","8","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0693","0.0414","","","0.0696","0.0733","","","","","","1.082","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045560","12.637","0.003","12.882","0.003","17.262","0.003","84.376","0.002","87.531","0.002","76.72","0.002","2721.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H82 Er N5 Si -","- C54 H82 Er N5 Si -","- C108 H164 Er2 N10 Si2 -","2","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0385","0.0282","","","0.0635","0.0671","","","","","","1.024","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045561","25.4738","0.0017","13.482","0.0009","27.6081","0.0019","90","","93.722","0.001","90","","9461.7","1.1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H129 Er2 N9 S3 Si2 -","- C83 H129 Er2 N9 S3 Si2 -","- C332 H516 Er8 N36 S12 Si8 -","4","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0587","0.0431","","","0.1157","0.1232","","","","","","1.085","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045562","11.6567","0.0008","19.5163","0.0013","18.9209","0.0013","90","","96.437","0.001","90","","4277.3","0.5","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.04 H63.11 Er N4 Si2 -","- C38.038 H63.114 Er N4 Si2 -","- C152.152 H252.456 Er4 N16 Si8 -","4","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0398","0.0288","","","0.0656","0.0708","","","","","","1.029","","","","has coordinates,has disorder","230005","2020-10-21","18:00:00",""
"7045563","23.3174","0.0016","19.3447","0.0013","21.0762","0.0014","90","","116.348","0.001","90","","8519.2","1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H66 Er N3 O Si2 -","- C37 H66 Er N3 O Si2 -","- C296 H528 Er8 N24 O8 Si16 -","8","2","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.0867","0.0373","","","0.0688","0.0839","","","","","","0.999","","","","has coordinates,has disorder","230005","2020-10-21","18:00:00",""
"7045564","25.5309","0.0016","13.4806","0.0009","27.6008","0.0018","90","","93.857","0.001","90","","9477.9","1.1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H129 N9 S3 Si2 Y2 -","- C83 H129 N9 S3 Si2 Y2 -","- C332 H516 N36 S12 Si8 Y8 -","4","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.1105","0.0656","","","0.1801","0.1974","","","","","","1.028","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045565","22.859","0.003","17.982","0.002","17.138","0.002","90","","113.277","0.002","90","","6471.2","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 F12 N7 Ni P2 -","- C27 H27 F12 N7 Ni P2 -","- C216 H216 F96 N56 Ni8 P16 -","8","1","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.1372","0.0779","","","0.2139","0.2486","","","","","","1.053","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045566","8.919","0.002","9.073","0.002","9.755","0.003","85.179","0.004","63.814","0.003","74.46","0.003","681.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F12 N6 P2 Pd -","- C22 H26 F12 N6 P2 Pd -","- C22 H26 F12 N6 P2 Pd -","1","0.5","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.0485","0.0429","","","0.1137","0.1182","","","","","","1.11","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045567","10.9687","0.0009","11.3949","0.0009","12.2882","0.0009","99.532","0.002","91.502","0.002","104.897","0.002","1459.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F12 N6 P2 Pd -","- C25 H24 F12 N6 P2 Pd -","- C50 H48 F24 N12 P4 Pd2 -","2","1","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.0993","0.0578","","","0.109","0.1231","","","","","","1.026","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045568","8.878","0.002","9.179","0.002","9.616","0.002","82.78","0.004","64.264","0.004","74.9","0.004","681.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F12 N6 P2 Pt -","- C22 H26 F12 N6 P2 Pt -","- C22 H26 F12 N6 P2 Pt -","1","0.5","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.0298","0.0296","","","0.0713","0.0714","","","","","","1.05","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045569","8.8606","0.0018","8.999","0.002","9.611","0.002","87.532","0.005","64.664","0.004","74.006","0.005","663.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 F12 N6 Ni P2 -","- C22 H26 F12 N6 Ni P2 -","- C22 H26 F12 N6 Ni P2 -","1","0.5","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.1503","0.0916","","","0.166","0.187","","","","","","1.05","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045570","10.8761","0.0009","11.3704","0.001","12.1822","0.0011","99.4","0.001","91.58","0.001","104.173","0.001","1437.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F12 N6 P2 Pt -","- C25 H24 F12 N6 P2 Pt -","- C50 H48 F24 N12 P4 Pt2 -","2","1","","Lu, Taotao; Liu, Zhiming; Steren, Carlos A.; Fei, Fan; Cook, Tabitha M.; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structural characterization and NMR studies of group 10 metal complexes with macrocyclic amine N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4282","4292","10.1039/c7dt04666a","","","0.71073","MoKα","","0.026","0.0238","","","0.0674","0.0685","","","","","","1.045","","","","has coordinates,has disorder","230052","2020-10-21","18:00:00",""
"7045571","10.671","0.005","11.46","0.005","19.755","0.005","89.779","0.005","84.977","0.005","75.994","0.005","2334.6","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H70 Dy N O7 -","- C41 H70 Dy N O7 -","- C82 H140 Dy2 N2 O14 -","2","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0627","0.052","","","0.1224","0.1314","","","","","","1.047","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045572","10.102","0.005","17.263","0.005","24.347","0.005","90","","90","","90","","4246","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H63 Dy N O7 -","- C38 H63 Dy N O7 -","- C152 H252 Dy4 N4 O28 -","4","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0538","0.0445","","","0.1047","0.1125","","","","","","1.066","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045573","10.061","0.005","18.089","0.005","23.985","0.005","90","","90","","90","","4365","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H62 Dy N O7 -","- C39 H62 Dy N O7 -","- C156 H248 Dy4 N4 O28 -","4","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0391","0.0322","","","0.063","0.0673","","","","","","1.043","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045574","11.474","0.005","21.516","0.005","22.125","0.005","90","0.005","104.739","0.005","90","0.005","5282","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H73 Dy O7 P -","- C51 H73 Dy O7 P -","- C204 H292 Dy4 O28 P4 -","4","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0514","0.0381","","","0.0835","0.0888","","","","","","1.161","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045575","8.7054","0.0017","13.182","0.003","15.288","0.003","108.13","0.03","98.65","0.03","93.3","0.03","1638.1","0.7","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Co2 N2 O10 -","- C34 H26 Co2 N2 O10 -","- C68 H52 Co4 N4 O20 -","2","1","","Wen, Yuanyuan; Meng, Wei; Li, Chen; Dai, Lei; He, Zhangxing; Wang, Ling; Li, Ming; Zhu, Jing","Enhanced glucose sensing based on a novel composite Co<sup>II</sup>-MOF/Acb modified electrode.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3872","3879","10.1039/c8dt00296g","","","0.71073","MoKα","","0.0919","0.0614","","","0.1074","0.1209","","","","","","1.093","","","","has coordinates","230000","2020-10-21","18:00:00",""
"7045576","6.5239","0.0002","7.8414","0.0002","10.6792","0.0003","104.271","0.0012","97.0307","0.0014","97.8719","0.0013","517.48","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8.75 H14 Gd2 N18 O8.75 -","- C8.75 H14 Gd2 N18 O8.75 -","- C8.75 H14 Gd2 N18 O8.75 -","1","0.5","","Brunet, Gabriel; Sebastiao, Elena; Witkowski, Tomasz G.; Korobkov, Ilia; Gabidullin, Bulat; Murugesu, Muralee","A nitrogen-rich ligand as a scaffold for slow magnetic relaxation in dysprosium-based 0D and 1D architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11782","11787","10.1039/c8dt00146d","","","0.71073","MoKα","","0.0223","0.0219","","","0.0588","0.0591","","","","","","1.032","","","","has coordinates,has disorder","229973","2020-10-21","18:00:00",""
"7045577","9.7883","0.0006","11.174","0.0006","14.3567","0.0008","101.599","0.003","97.5","0.003","93.781","0.003","1518.14","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 Dy N27 O12 -","- C12 H27 Dy N27 O12 -","- C24 H54 Dy2 N54 O24 -","2","1","","Brunet, Gabriel; Sebastiao, Elena; Witkowski, Tomasz G.; Korobkov, Ilia; Gabidullin, Bulat; Murugesu, Muralee","A nitrogen-rich ligand as a scaffold for slow magnetic relaxation in dysprosium-based 0D and 1D architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11782","11787","10.1039/c8dt00146d","","","0.71073","MoKα","","0.0295","0.0263","","","0.0621","0.064","","","","","","1.08","","","","has coordinates,has disorder","229973","2020-10-21","18:00:00",""
"7045578","6.5214","0.0002","7.807","0.0002","10.6509","0.0003","104.256","0.0012","97.5429","0.0014","98.3219","0.0015","512.1","0.03","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8.7 H14 Dy2 N18 O8.7 -","- C8.7 H14 Dy2 N18 O8.7 -","- C8.7 H14 Dy2 N18 O8.7 -","1","0.5","","Brunet, Gabriel; Sebastiao, Elena; Witkowski, Tomasz G.; Korobkov, Ilia; Gabidullin, Bulat; Murugesu, Muralee","A nitrogen-rich ligand as a scaffold for slow magnetic relaxation in dysprosium-based 0D and 1D architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11782","11787","10.1039/c8dt00146d","","","0.71073","MoKα","","0.0251","0.0243","","","0.0559","0.0565","","","","","","1.108","","","","has coordinates,has disorder","229973","2020-10-21","18:00:00",""
"7045579","9.8069","0.0005","11.2059","0.0006","14.4149","0.0007","101.744","0.001","97.816","0.001","93.932","0.001","1528.97","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 Gd N27 O12 -","- C12 H27 Gd N27 O12 -","- C24 H54 Gd2 N54 O24 -","2","1","","Brunet, Gabriel; Sebastiao, Elena; Witkowski, Tomasz G.; Korobkov, Ilia; Gabidullin, Bulat; Murugesu, Muralee","A nitrogen-rich ligand as a scaffold for slow magnetic relaxation in dysprosium-based 0D and 1D architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11782","11787","10.1039/c8dt00146d","","","0.71073","MoKα","","0.0187","0.0173","","","0.0424","0.0429","","","","","","1.07","","","","has coordinates,has disorder","229973","2020-10-21","18:00:00",""
"7045580","21.528","0.0007","21.528","0.0007","7.5898","0.0002","90","","90","","90","","3517.53","0.19","120","2","120","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C96 H60 Br4 Fe2 N8 P -","- C96 H60 Br4 Fe2 N8 P -","- C192 H120 Br8 Fe4 N16 P2 -","2","","","Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki","An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii)","Dalton Transactions","2018","","","","","10.1039/C7DT04649A","","","1.54187","CuKα","","0.0496","0.0423","","","0.1197","0.1248","","","","","","1.04","","","","has coordinates","206322","2020-10-21","18:00:00",""
"7045581","21.658","0.0006","21.658","0.0006","7.6476","0.0002","90","","90","","90","","3587.25","0.17","300","2","300","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C96 H60 Br4 Fe2 N8 P -","- C96 H60 Br4 Fe2 N8 P -","- C192 H120 Br8 Fe4 N16 P2 -","2","","","Nishi, Miki; Ishii, Ryuta; Ikeda, Mitsuo; Hanasaki, Noriaki; Hoshino, Norihisa; Akutagawa, Tomoyuki; Sumimoto, Michinori; Matsuda, Masaki","An electrically conducting crystal composed of an octahedrally ligated porphyrin complex with high-spin iron(iii)","Dalton Transactions","2018","","","","","10.1039/C7DT04649A","","","1.54187","CuKα","","0.0529","0.0425","","","0.12","0.127","","","","","","1.061","","","","has coordinates","206322","2020-10-21","18:00:00",""
"7045582","3.9037","0.0005","21.528","0.002","3.8585","0.0006","90","","91.34","0.02","90","","324.18","0.07","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Fe0.85Se(C2H8N2)0.3","","- C0.6 H2.4 Fe0.85 N0.6 Se -","- C0.666667 H2.66667 Fe0.85 N0.666667 Se -","- C2.66667 H10.6667 Fe3.4 N2.66667 Se4 -","4","0.5","","Stahl, J.; Shlaen, E.; Singer, H.; Johrendt, D.","Systematic dimensional reduction of the layered β-FeSe structure by solvothermal synthesis.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3264","3271","10.1039/c8dt00025e","powder diffraction","","0.71073","MoKα","","","","","","","","","","1.104","","","","","","","has coordinates","229236","2020-10-21","18:00:00",""
"7045583","9.104","0.004","10.398","0.004","11.675","0.005","109.88","0.013","96.37","0.015","114.093","0.014","907.7","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H24 Fe3 N6 Se4 -","- C6 H24 Fe3 N6 Se4 -","- C12 H48 Fe6 N12 Se8 -","2","1","","Stahl, J.; Shlaen, E.; Singer, H.; Johrendt, D.","Systematic dimensional reduction of the layered β-FeSe structure by solvothermal synthesis.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3264","3271","10.1039/c8dt00025e","","x-ray","0.71073","MoKα","","0.0651","0.0381","","","0.0655","0.0724","","","","1.66","1.66","1.56","","","","has coordinates","229236","2020-10-21","18:00:00",""
"7045584","9.323","0.002","12.273","0.002","20.821","0.004","90","","90","","90","","2382.4","0.8","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H56 Fe10 N14 Se12 -","- C14 H56 Fe10 N14 Se12 -","- C28 H112 Fe20 N28 Se24 -","2","0.5","","Stahl, J.; Shlaen, E.; Singer, H.; Johrendt, D.","Systematic dimensional reduction of the layered β-FeSe structure by solvothermal synthesis.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3264","3271","10.1039/c8dt00025e","","x-ray","0.71073","MoKα","","0.0518","0.0325","","","0.0663","0.0708","","","","1.81","1.81","1.69","","","","has coordinates","229236","2020-10-21","18:00:00",""
"7045585","10.004","0.002","10.785","0.003","12.934","0.003","85.466","0.003","88.65","0.003","83.733","0.003","1382.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Cl6 N2 Nb -","- C23 H29 Cl6 N2 Nb -","- C46 H58 Cl12 N4 Nb2 -","2","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0636","0.0399","","","0.0855","0.0955","","","","","","1.014","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045586","16.0202","0.0004","13.0226","0.0003","17.8448","0.0004","90","","113.163","0.001","90","","3422.76","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl8 N2 Nb -","- C27 H39 Cl8 N2 Nb -","- C108 H156 Cl32 N8 Nb4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0532","0.037","","","0.0836","0.0903","","","","","","1.041","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045587","10.805","0.004","13.497","0.004","13.691","0.005","90","","109.104","0.004","90","","1886.7","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H36 Br10 N2 Nb2 -","- C26 H36 Br10 N2 Nb2 -","- C52 H72 Br20 N4 Nb4 -","2","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.1431","0.0931","","","0.2153","0.2441","","","","","","1.04","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045588","16.105","0.007","13.078","0.005","17.933","0.008","90","","113.164","0.005","90","","3473","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl8 N2 Ta -","- C27 H39 Cl8 N2 Ta -","- C108 H156 Cl32 N8 Ta4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0799","0.0464","","","0.1027","0.1174","","","","","","1.045","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045589","9.9501","0.0004","19.2803","0.0007","18.9646","0.0007","90","","97.508","0.003","90","","3607","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Cl10 N2 Ta -","- C27 H37 Cl10 N2 Ta -","- C108 H148 Cl40 N8 Ta4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.1576","0.0696","","","0.1654","0.2077","","","","","","1.02","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045590","12.8295","0.0009","21.6973","0.0015","10.3071","0.0007","90","","90","","90","","2869.1","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C26 H36 Cl4 N2 Nb -","- C26 H36 Cl4 N2 Nb -","- C104 H144 Cl16 N8 Nb4 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0364","0.0321","","","0.0814","0.0842","","","","","","1.077","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045591","8.3272","0.0006","18.4834","0.0012","22.5408","0.0015","90","","97.617","0.004","90","","3438.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H31 Cl7 N3 Nb -","- C28.5 H31 Cl7 N3 Nb -","- C114 H124 Cl28 N12 Nb4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0909","0.067","","","0.1984","0.22","","","","","","1.034","","","","has coordinates,has disorder","229252","2020-10-21","18:00:00",""
"7045592","12.5172","0.0008","21.3437","0.0014","10.4112","0.0006","90","","90","","90","","2781.5","0.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H36 Cl3 N2 Nb O -","- C26 H36 Cl3 N2 Nb O -","- C104 H144 Cl12 N8 Nb4 O4 -","4","0.5","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.07","0.0475","","","0.1064","0.125","","","","","","1.093","","","","has coordinates,has disorder","229252","2020-10-21","18:00:00",""
"7045593","11.6797","0.0004","12.2727","0.0005","27.3287","0.001","90","","98.412","0.002","90","","3875.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br10 N2 Ta2 -","- C26 H36 Br10 N2 Ta2 -","- C104 H144 Br40 N8 Ta8 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano; Marchetti, Fabio","Stable coordination complexes of α-diimines with Nb(v) and Ta(v) halides.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3346","3355","10.1039/c8dt00122g","","","0.71073","MoKα","","0.0653","0.0448","","","0.0995","0.1092","","","","","","1.038","","","","has coordinates","229252","2020-10-21","18:00:00",""
"7045594","17.2067","0.0007","7.1378","0.0003","7.5388","0.0003","90","","100.265","0.004","90","","911.08","0.07","100","2","100.01","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H9 F O2 Si -","- C9 H9 F O2 Si -","- C36 H36 F4 O8 Si4 -","4","0.5","","Durka, Krzysztof; Urban, Mateusz; Czub, Maja; Dąbrowski, Marek; Tomaszewski, Patryk; Luliński, Sergiusz","An intramolecular ortho-assisted activation of the silicon-hydrogen bond in arylsilanes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3705","3716","10.1039/c7dt04858k","","x-ray","0.71073","MoKα","","0.0415","0.0361","","","0.1116","0.1192","","","","","","1.016","","","","has coordinates","229992","2020-10-21","18:00:00",""
"7045595","20.3719","0.0004","8.543","0.0002","20.6238","0.0005","90","","90.992","0.002","90","","3588.77","0.14","100","2","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 B2 F4 O4 Si4 -","- C32 H38 B2 F4 O4 Si4 -","- C128 H152 B8 F16 O16 Si16 -","4","0.5","","Durka, Krzysztof; Urban, Mateusz; Czub, Maja; Dąbrowski, Marek; Tomaszewski, Patryk; Luliński, Sergiusz","An intramolecular ortho-assisted activation of the silicon-hydrogen bond in arylsilanes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3705","3716","10.1039/c7dt04858k","","x-ray","0.71073","MoKα","","0.0395","0.0345","","","0.1015","0.1065","","","","","","1.035","","","","has coordinates","229992","2020-10-21","18:00:00",""
"7045596","26.3237","0.0005","3.84158","0.00008","35.9106","0.0008","90","","91.6279","0.0019","90","","3629.98","0.13","100","0.1","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C184 H120 N24 O8 -","8","1","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","","1.54184","CuKα","","0.0433","0.0387","","","0.1028","0.1069","","","","","","1.032","","","","has coordinates","229988","2020-10-21","18:00:00",""
"7045597","12.72079","0.00013","30.3305","0.0003","13.47657","0.00015","90","","112.923","0.0013","90","","4789.01","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 Ag2 F6 N7 O9 S2 -","- C50 H35 Ag2 F6 N7 O9 S2 -","- C200 H140 Ag8 F24 N28 O36 S8 -","4","1","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","x-ray","1.54184","CuKα","","0.0315","0.0302","","","0.0783","0.0792","","","","","","1.04","","","","has coordinates","229988","2020-10-21","18:00:00",""
"7045598","18.2068","0.0004","6.0788","0.00019","30.4579","0.001","90","","97.629","0.003","90","","3341.11","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 N6 O2 -","- C46 H30 N6 O2 -","- C184 H120 N24 O8 -","4","1","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","x-ray","1.54184","CuKα","","0.0702","0.0517","","","0.127","0.1408","","","","","","1.049","","","","has coordinates","229988","2020-10-21","18:00:00",""
"7045599","11.5071","0.0002","17.7155","0.0004","19.7489","0.0004","104.857","0.0017","105.886","0.0017","105.37","0.0017","3490.88","0.14","100.01","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C92 H60 N12 O4 -","- C92 H60 N12 O4 -","- C184 H120 N24 O8 -","2","1","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","","1.54184","CuKα","","0.0531","0.0461","","","0.1221","0.1294","","","","","","1.016","","","","has coordinates,has disorder","229988","2020-10-21","18:00:00",""
"7045600","13.5216","0.0005","14.9223","0.0006","21.6131","0.0008","87.526","0.003","80.106","0.003","85.894","0.003","4282.9","0.3","100","0.1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H31.5 Ag2 B2 F8 N6.5 O2.5 -","- C47 H31.5 Ag2 B2 F8 N6.5 O2.5 -","- C188 H126 Ag8 B8 F32 N26 O10 -","4","2","","Farrow, Charlotte M. A.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Platts, James A.; Coogan, M. P.","Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3906","3912","10.1039/c7dt04744d","","","1.54184","CuKα","","0.0827","0.0632","","","0.1615","0.1768","","","","","","1.039","","","","has coordinates,has disorder","229988","2020-10-21","18:00:00",""
"7045601","16.416","0.003","31.885","0.005","15.264","0.003","90","","90","","90","","7990","2","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Ni-LA1","","- C70 H58 Cl4 N14 Ni2 O16 -","- C70 H58 Cl4 N14 Ni2 O16 -","- C280 H232 Cl16 N56 Ni8 O64 -","4","0.5","","Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying","Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4040","4044","10.1039/c8dt00252e","","","0.71073","MoKα","","0.203","0.0837","","","0.1659","0.1845","","","","","","0.94","","","","has coordinates,has disorder","230053","2020-10-21","18:00:00",""
"7045602","34.4264","0.0007","13.9708","0.0002","33.5419","0.0006","90","","96.032","0.001","90","","16043.1","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ni-LA2","","- C145 H138 Cl8 N37 Ni4 O34.5 -","- C145 H137 Cl8 N37 Ni4 O34.5 -","- C580 H548 Cl32 N148 Ni16 O138 -","4","1","","Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying","Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4040","4044","10.1039/c8dt00252e","","","0.71073","MoKα","","0.1465","0.0769","","","0.1992","0.2319","","","","","","0.999","","","","has coordinates,has disorder","230053","2020-10-21","18:00:00",""
"7045603","12.1353","0.001","17.5582","0.0014","22.1641","0.0018","98.467","0.002","100.413","0.002","109.069","0.002","4280.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Ni-LA2[44]","","- C150 H155 Cl8 N37 Ni4 O38 -","- C150 H155 Cl8 N37 Ni4 O38 -","- C150 H155 Cl8 N37 Ni4 O38 -","1","0.5","","Yu, Hao; Wang, Jing; Guo, Xiangyang; Zhang, Rong; He, Cheng; Duan, Chunying","Diversity of metal-organic macrocycles assembled from carbazole based ligands with different lengths.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4040","4044","10.1039/c8dt00252e","","","0.71073","MoKα","","0.2513","0.0898","","","0.1674","0.2011","","","","","","0.988","","","","has coordinates,has disorder","230053","2020-10-21","18:00:00",""
"7045604","26.2046","0.0014","7.3386","0.0004","21.4656","0.0006","90","","105.092","0.003","90","","3985.6","0.3","173","2","173","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H4 Ag Au Cl4 F6 N2 -","- C16 H4 Ag Au Cl4 F6 N2 -","- C128 H32 Ag8 Au8 Cl32 F48 N16 -","8","1","","López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Quintana, Javier; Rodríguez-Castillo, María","Unequal coordination environment in complexes of the type [Au<sub>2</sub>Ag<sub>2</sub>(R)<sub>4</sub>(L)<sub>2</sub>]<sub>n</sub>. An immiscible solvent mixture as a key point in the control of ligand replacement.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3231","3238","10.1039/c8dt00024g","","x-ray","0.71073","MoKα","","0.0798","0.0462","","","0.0963","0.1079","","","","","","1.006","","","","has coordinates","229249","2020-10-21","18:00:00",""
"7045605","29.1453","0.0011","22.5446","0.0009","20.0008","0.0007","90","","117.734","0.002","90","","11632.1","0.8","173","2","173","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H26 Ag6 Au6 Cl24 F36 N10 -","- C92 H26 Ag6 Au6 Cl24 F36 N10 -","- C368 H104 Ag24 Au24 Cl96 F144 N40 -","4","0.5","","López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Quintana, Javier; Rodríguez-Castillo, María","Unequal coordination environment in complexes of the type [Au<sub>2</sub>Ag<sub>2</sub>(R)<sub>4</sub>(L)<sub>2</sub>]<sub>n</sub>. An immiscible solvent mixture as a key point in the control of ligand replacement.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3231","3238","10.1039/c8dt00024g","","x-ray","0.71073","MoKα","","0.1214","0.0656","","","0.1566","0.1822","","","","","","1.046","","","","has coordinates,has disorder","229249","2020-10-21","18:00:00",""
"7045606","14.7549","0.0006","25.9946","0.0011","21.5866","0.0009","90","","93.13","0.001","90","","8267.1","0.6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 Ag3 N28 O124 P4 W36 -","- C70 H94 Ag3 N28 O124 P4 W36 -","- C140 H188 Ag6 N56 O248 P8 W72 -","2","0.5","","Fan, Xiao-Ying; Guo, Heng; Lv, Jing-Hua; Yu, Kai; Su, Zhan-Hua; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Efficient and robust photocatalysts based on {P<sub>2</sub>W<sub>18</sub>} modified by an Ag complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4273","4281","10.1039/c8dt00229k","","","0.71073","MoKα","","0.0639","0.0423","","","0.0927","0.1035","","","","","","1.005","","","","has coordinates","230038","2020-10-21","18:00:00",""
"7045607","13.6198","0.0016","14.9084","0.0017","22.869","0.003","71.857","0.001","86.252","0.001","73.156","0.001","4221.8","0.9","296","2","296.15","","","","","","","","","11","P -1","-P 1","2","","","","- C30 H43 Ag N12 O63 P2 W18 en lv so t -","- C30 H43 Ag N12 O63 P2 W18 -","- C60 H86 Ag2 N24 O126 P4 W36 -","2","1","","Fan, Xiao-Ying; Guo, Heng; Lv, Jing-Hua; Yu, Kai; Su, Zhan-Hua; Wang, Lu; Wang, Chun-Mei; Zhou, Bai-Bin","Efficient and robust photocatalysts based on {P<sub>2</sub>W<sub>18</sub>} modified by an Ag complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4273","4281","10.1039/c8dt00229k","","","0.71073","MoKα","","0.0829","0.0616","","","0.1639","0.1822","","","","","","1.023","","","","has coordinates","230038","2020-10-21","18:00:00",""
"7045608","11.756","0.005","18.408","0.005","16.529","0.005","90","0.005","95.107","0.005","90","0.005","3563","2","105.5","0.7","105.5","0.7","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cr2 N4 O22 Sr -","- C28 H28 Cr2 N4 O22 Sr -","- C112 H112 Cr8 N16 O88 Sr4 -","4","1","","Androš Dubraja, L; Jurić, M; Popović, J; Pajić, D; Krupskaya, Y.; Kataev, V.; Bűchner, B; Žilić, D","Magneto-structural correlations in oxalate-bridged Sr(ii)Cr(iii) coordination polymers: structure, magnetization, X-band, and high-field ESR studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3992","4000","10.1039/c7dt04655c","","","1.54179","CuKα","","0.0406","0.0378","","","0.1031","0.1061","","","","","","1.03","","","","has coordinates","230008","2020-10-21","18:00:00",""
"7045609","9.2144","0.0004","10.6642","0.0005","18.661","0.0007","84.389","0.004","86.879","0.003","69.897","0.004","1713.32","0.13","106","0.6","106","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 Cr2 N4 O17 Sr -","- C32 H18 Cr2 N4 O17 Sr -","- C64 H36 Cr4 N8 O34 Sr2 -","2","1","","Androš Dubraja, L; Jurić, M; Popović, J; Pajić, D; Krupskaya, Y.; Kataev, V.; Bűchner, B; Žilić, D","Magneto-structural correlations in oxalate-bridged Sr(ii)Cr(iii) coordination polymers: structure, magnetization, X-band, and high-field ESR studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3992","4000","10.1039/c7dt04655c","","x-ray","1.54184","CuKα","","0.0633","0.0607","","","0.1765","0.1779","","","","","","1.126","","","","has coordinates,has disorder","230008","2020-10-21","18:00:00",""
"7045610","14.9781","0.0005","14.9781","0.0005","96.166","0.003","90","","90","","120","","18683.8","1.1","200","1","200","1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H21 I N3 O2.5 -","- C20 H21 I1.00003 N3 O2.5 -","- C720 H756 I36.0012 N108 O90 -","36","1","","Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani","Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3440","3451","10.1039/c7dt04369d","","","0.71073","MoKα","","0.0685","0.046","","","0.111","0.1245","","","","","","1.08","","","","has coordinates,has disorder","229250","2020-10-21","18:00:00",""
"7045611","13.5805","0.0003","16.1341","0.0004","21.2216","0.0005","74.302","0.001","89.578","0.001","65.159","0.001","4032.06","0.17","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 Ir N5 O2 -","- C46 H34 Ir N5 O2 -","- C184 H136 Ir4 N20 O8 -","4","2","","Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani","Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3440","3451","10.1039/c7dt04369d","","","1.54178","CuKα","","0.0265","0.0246","","","0.0611","0.0625","","","","","","1.035","","","","has coordinates,has disorder","229250","2020-10-21","18:00:00",""
"7045612","9.3652","0.0004","12.4098","0.0005","16.8233","0.0007","99.293","0.002","98.218","0.002","90.072","0.002","1909.14","0.14","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 Ir N5 O2 -","- C50 H36 Ir N5 O2 -","- C100 H72 Ir2 N10 O4 -","2","1","","Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani","Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3440","3451","10.1039/c7dt04369d","","","1.54178","CuKα","","0.0259","0.0247","","","0.0637","0.0644","","","","","","1.089","","","","has coordinates","229250","2020-10-21","18:00:00",""
"7045613","14.8872","0.0007","16.5821","0.0007","18.9038","0.0008","93.72","0.003","104.97","0.003","96.521","0.003","4457.4","0.3","200","1","200","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 F4 Ir N5 O2 -","- C42 H30 F4 Ir N5 O2 -","- C168 H120 F16 Ir4 N20 O8 -","4","2","","Lanoë, Pierre-Henri; Chan, Jonny; Groué, Antoine; Gontard, Geoffrey; Jutand, Anny; Rager, Marie-Noelle; Armaroli, Nicola; Monti, Filippo; Barbieri, Andrea; Amouri, Hani","Cyclometalated N-heterocyclic carbene iridium(iii) complexes with naphthalimide chromophores: a novel class of phosphorescent heteroleptic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3440","3451","10.1039/c7dt04369d","","","1.54178","CuKα","","0.0374","0.0271","","","0.0659","0.0699","","","","","","1.039","","","","has coordinates","229250","2020-10-21","18:00:00",""
"7045614","12.606","0.003","30.281","0.007","10.549","0.002","90","","100.051","0.005","90","","3965","1.5","153","2","153","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C64 H62 N30 O30 S4 -","- C64 H58 N30 O28 S4 -","- C128 H116 N60 O56 S8 -","2","0.25","","Zhang, Xiu-Du; Zhao, Yue; Chen, Kai; Wang, Peng; Kang, Yan-Shang; Wu, Hua; Sun, Wei-Yin","Cucurbit[6]uril-based multifunctional supramolecular assemblies: synthesis, removal of Ba(ii) and fluorescence sensing of Fe(iii).","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3958","3964","10.1039/c8dt00182k","","","0.71073","MoKα","","0.084","0.0655","","","0.1842","0.2041","","","","","","1.017","","","","has coordinates","230002","2020-10-21","18:00:00",""
"7045615","12.5723","0.0019","30.869","0.005","9.9896","0.0016","90","","97.247","0.004","90","","3845.9","1.1","153","2","153","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C64 H54 Ba N28 O30 S4 -","- C64 H54 Ba N28 O30 S4 -","- C128 H108 Ba2 N56 O60 S8 -","2","0.25","","Zhang, Xiu-Du; Zhao, Yue; Chen, Kai; Wang, Peng; Kang, Yan-Shang; Wu, Hua; Sun, Wei-Yin","Cucurbit[6]uril-based multifunctional supramolecular assemblies: synthesis, removal of Ba(ii) and fluorescence sensing of Fe(iii).","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3958","3964","10.1039/c8dt00182k","","","0.71073","MoKα","","0.0989","0.0699","","","0.1514","0.1664","","","","","","1.091","","","","has coordinates","230002","2020-10-21","18:00:00",""
"7045616","21.0268","0.0014","16.0162","0.0009","21.3417","0.0012","90","","90","","90","","7187.2","0.7","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C66 H98 B2 Cl6 F8 O4 P2 Pd2 -","- C66 H98 B2 Cl6 F8 O4 P2 Pd2 -","- C264 H392 B8 Cl24 F32 O16 P8 Pd8 -","4","1","","Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M.","Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3684","3688","10.1039/c8dt00119g","","","0.71073","MoKα","","0.0697","0.0573","","","0.1259","0.135","","","","","","1.039","","","","has coordinates,has disorder","230006","2020-10-21","18:00:00",""
"7045617","19.9242","0.0006","15.4346","0.0004","19.9878","0.0007","90","","106.142","0.002","90","","5904.4","0.3","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H70 B2 F8 O4 P2 Pd2 -","- C52 H70 B2 F8 O4 P2 Pd2 -","- C208 H280 B8 F32 O16 P8 Pd8 -","4","0.5","","Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M.","Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3684","3688","10.1039/c8dt00119g","","x-ray","0.71073","MoKα","K-L~3~","0.0559","0.0418","","","0.0949","0.1005","","","","","","1.073","","","","has coordinates","230006","2020-10-21","18:00:00",""
"7045618","9.2989","0.0004","42.0772","0.0015","14.9666","0.0007","90","","96.141","0.003","90","","5822.4","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 B2 F8 N2 P2 Pd2 -","- C52 H72 B2 F8 N2 P2 Pd2 -","- C208 H288 B8 F32 N8 P8 Pd8 -","4","1","","Kirlikovali, Kent O.; Cho, Eunho; Downard, Tyler J.; Grigoryan, Lilit; Han, Zheng; Hong, Sooji; Jung, Dahee; Quintana, Jason C.; Reynoso, Vanessa; Ro, Sooihk; Shen, Yi; Swartz, Kevin; Ter Sahakyan, Elizabeth; Wixtrom, Alex I.; Yoshida, Brandon; Rheingold, Arnold L.; Spokoyny, Alexander M.","Buchwald-Hartwig amination using Pd(i) dimer precatalysts supported by biaryl phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3684","3688","10.1039/c8dt00119g","","x-ray","1.54178","CuKα","","0.0926","0.0587","","","0.1283","0.1419","","","","","","1.026","","","","has coordinates","230006","2020-10-21","18:00:00",""
"7045619","9.0041","0.0014","10.5386","0.0016","20.971","0.003","94.863","0.002","93.285","0.002","106.354","0.002","1895.7","0.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H64 Ag2 B2 Cl8 F8 N12 O8 -","- C68 H64 Ag2 B2 Cl8 F8 N12 O8 -","- C68 H64 Ag2 B2 Cl8 F8 N12 O8 -","1","0.5","","Zhang, Le; Han, Ying-Feng","A macrocyclic silver polycarbene complex based on 1,2,4-triazole units: synthesis and postsynthetic modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4267","4272","10.1039/c8dt00169c","","","0.71073","MoKα","","0.0426","0.0364","","","0.0939","0.0982","","","","","","1.047","","","","has coordinates","230047","2020-10-21","18:00:00",""
"7045620","9.5304","0.0004","10.1589","0.0004","19.4742","0.0007","76.449","0.003","88.375","0.003","76.193","0.003","1779.25","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H39 Cl N6 Ni O6 -","- C34 H39 Cl N6 Ni O6 -","- C68 H78 Cl2 N12 Ni2 O12 -","2","1","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy","Nickel(ii) complexes of a 3N ligand as a model for diketone cleaving unusual nickel(ii)-dioxygenase enzymes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4049","4053","10.1039/c7dt04739h","","x-ray","1.54184","CuKα","","0.0872","0.0674","","","0.1907","0.2156","","","","","","1.041","","","","has coordinates","230043","2020-10-21","18:00:00",""
"7045621","9.1764","0.0004","13.0535","0.0006","26.4288","0.0009","90","","98.049","0.004","90","","3134.6","0.2","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl N5 Ni O3 -","- C36 H30 Cl N5 Ni O3 -","- C144 H120 Cl4 N20 Ni4 O12 -","4","1","","Ramasubramanian, Ramamoorthy; Anandababu, Karunanithi; Kumar, Mukesh; Mayilmurugan, Ramasamy","Nickel(ii) complexes of a 3N ligand as a model for diketone cleaving unusual nickel(ii)-dioxygenase enzymes.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4049","4053","10.1039/c7dt04739h","","x-ray","1.54184","CuKα","","0.093","0.0678","","","0.1842","0.2238","","","","","","1.133","","","","has coordinates","230043","2020-10-21","18:00:00",""
"7045622","8.078","0.004","12.204","0.006","13.113","0.006","90","","127.672","0.008","90","","1023.2","0.9","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 H20 N Y -","- B4 H20 N Y -","- B16 H80 N4 Y4 -","4","1","","Starobrat, A.; Jaroń, T; Grochala, W.","New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4442","4448","10.1039/c7dt03926c","powder diffraction","x-ray","1.5418","CuKα","","0.0199","0.0199","","0.0203","0.0203","","","","1.2","","","","","","","has coordinates","229748","2020-10-21","18:00:00",""
"7045623","14.2842","0.0004","14.2842","0.0004","7.3758","0.0002","90","","90","","90","","1504.95","0.07","295","","295","","","","","","","","","4","I 4/m","-I 4","87","","","","- B4 H16 Li Sc -","- B4 H16 Li Sc -","- B32 H128 Li8 Sc8 -","8","0.5","","Starobrat, A.; Jaroń, T; Grochala, W.","New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4442","4448","10.1039/c7dt03926c","powder diffraction","x-ray","1.5418","CuKα","","0.0484","0.0357","","0.0315","0.0295","","","","0.03","","","","","","","has coordinates","229748","2020-10-21","18:00:00",""
"7045624","9.8816","0.0012","12.6499","0.0015","14.872","0.002","90","","90","","90","","1859","0.4","240","","240","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Al B4 H20 N -","- Al B4 H20 N -","- Al8 B32 H160 N8 -","8","0.25","","Starobrat, A.; Jaroń, T; Grochala, W.","New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4442","4448","10.1039/c7dt03926c","powder diffraction","x-ray","1.54187","CuKα","","0.0653","0.0604","","0.0423","0.0421","","","","1.45","","","","","","","has coordinates","229748","2020-10-21","18:00:00",""
"7045625","7.8857","0.001","11.892","0.0016","12.835","0.0016","90","","127.202","0.004","90","","958.7","0.2","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 H20 N Sc -","- B4 H20 N Sc -","- B16 H80 N4 Sc4 -","4","1","","Starobrat, A.; Jaroń, T; Grochala, W.","New hydrogen-rich ammonium metal borohydrides, NH<sub>4</sub>[M(BH<sub>4</sub>)<sub>4</sub>], M = Y, Sc, Al, as potential H<sub>2</sub> sources.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4442","4448","10.1039/c7dt03926c","powder diffraction","x-ray","1.5418","CuKα","","0.031","0.0192","","0.0144","0.0123","","","","0.1","","","","","","","has coordinates","229748","2020-10-21","18:00:00",""
"7045626","19.196","0.004","27.013","0.005","21.601","0.004","90","","90","","90","","11201","4","293","2","293","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C36 H18 O16 U2 -","- C36 H18 O16 U2 -","- C288 H144 O128 U16 -","8","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0684","0.0555","","","0.1454","0.1825","","","","","","1.194","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7045627","12.734","0.003","13.956","0.003","19.524","0.006","90","","118.66","0.02","90","","3044.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N2 O10 U -","- C34 H22 N2 O10 U -","- C136 H88 N8 O40 U4 -","4","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0599","0.039","","","0.086","0.1125","","","","","","1.097","","","","has coordinates,has disorder","230044","2020-10-21","18:00:00",""
"7045628","19.736","0.004","13.954","0.003","21.808","0.004","90","","90","","90","","6006","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C61 H46 N2 O22 U2 -","- C61 H46 N2 O22 U2 -","- C244 H184 N8 O88 U8 -","4","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0604","0.0488","","","0.1288","0.1437","","","","","","1.071","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7045629","10.014","0.002","15.315","0.003","16.677","0.003","97.86","0.03","97.56","0.03","98.9","0.03","2472.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 N2 O16 U2 -","- C48 H30 N2 O16 U2 -","- C96 H60 N4 O32 U4 -","2","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0544","0.043","","","0.1059","0.1245","","","","","","1.086","","","","has coordinates,has disorder","230044","2020-10-21","18:00:00",""
"7045630","17.017","0.003","22.5","0.005","13.661","0.003","90","","93.29","0.03","90","","5221.9","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 N2 O16 U2 -","- C49 H34 N2 O16 U2 -","- C196 H136 N8 O64 U8 -","4","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.053","0.0398","","","0.0934","0.1013","","","","","","1.082","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7045631","16.7566","0.0009","22.7781","0.0009","13.8044","0.0009","90","","92.711","0.005","90","","5263","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 N2 O17 U2 -","- C51 H40 N2 O17 U2 -","- C204 H160 N8 O68 U8 -","4","1","","Xu, Wei; Ren, Ya-Nan; Xie, Miao; Zhou, Lin-Xia; Zheng, Yue-Qing","Six uranyl-organic frameworks with naphthalene-dicarboxylic acid and bipyridyl-based spacers: syntheses, structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4236","4250","10.1039/c7dt04909a","","","0.71073","MoKα","","0.0851","0.0668","","","0.1544","0.1652","","","","","","1.076","","","","has coordinates","230044","2020-10-21","18:00:00",""
"7045632","17.36501","0.00015","16.04859","0.00013","22.20094","0.00018","90","","100.952","0.0008","90","","6074.37","0.09","122.8","0.1","122.8","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H79 Fe K O7 P4 -","- C57 H69 Fe K O6 P4 -","- C228 H276 Fe4 K4 O24 P16 -","4","1","","Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert","Mono- and dinuclear tetraphosphabutadiene ferrate anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3693","3697","10.1039/c7dt04641c","","","1.54184","CuKα","","0.0332","0.0296","","","0.0719","0.0738","","","","","","1.032","","","","has coordinates,has disorder","229996","2020-10-21","18:00:00",""
"7045633","23.2636","0.0005","25.7313","0.0005","16.0339","0.0004","90","","90","","90","","9597.9","0.4","122.99","0.1","122.99","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C110 H130 Fe2 Na2 O5 P4 -","- C110 H130 Fe2 Na2 O5 P4 -","- C440 H520 Fe8 Na8 O20 P16 -","4","0.5","","Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert","Mono- and dinuclear tetraphosphabutadiene ferrate anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3693","3697","10.1039/c7dt04641c","","x-ray","0.71073","MoKα","","0.0746","0.0615","","","0.1405","0.1455","","","","","","1.209","","","","has coordinates,has disorder","229996","2020-10-21","18:00:00",""
"7045634","23.4789","0.0003","24.395","0.0002","16.5309","0.0002","90","","90","","90","","9468.37","0.18","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C101.69 H110.94 Fe2 Na O2.81 P4 -","- C101.678 H110.924 Fe2 Na O2.811 P4 -","- C406.713 H443.696 Fe8 Na4 O11.244 P16 -","4","0.5","","Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert","Mono- and dinuclear tetraphosphabutadiene ferrate anions.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3693","3697","10.1039/c7dt04641c","","x-ray","1.54184","CuKα","","0.0953","0.0836","","","0.2624","0.2756","","","","","","1.045","","","","has coordinates,has disorder","229996","2020-10-21","18:00:00",""
"7045635","8.509","0.004","9.397","0.004","14.443","0.007","90","","91.146","0.017","90","","1154.6","0.9","110","","110","","","","","","","","","5","P 1 21 1","P 2yb","4","","[Pd(C6H4(2-t-Bu))(κ3-N,N',O-OC6H4N=CH(2-C5H4N))]","","- C28 H28 N2 O Pd -","- C28 H28 N2 O Pd -","- C56 H56 N4 O2 Pd2 -","2","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Mild and selective Pd-Ar protonolysis and C-H activation promoted by a ligand aryloxide group.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3538","3548","10.1039/c8dt00437d","","","0.71073","MoKα","","0.0431","0.0372","","","0.091","0.0948","","","","","","1.011","","","","has coordinates,has disorder","229240","2020-10-21","18:00:00",""
"7045636","6.515","0.002","18.388","0.007","18.995","0.007","90","","91.858","0.01","90","","2274.4","1.4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Pd(CH2CMe2C6H5)(κ3-N,N',O-OC6H4N=CH(2-C5H4N))]","","- C28 H28 N2 O Pd -","- C28 H28 N2 O Pd -","- C112 H112 N8 O4 Pd4 -","4","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Mild and selective Pd-Ar protonolysis and C-H activation promoted by a ligand aryloxide group.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3538","3548","10.1039/c8dt00437d","","","0.71073","MoKα","","0.0952","0.0493","","","0.1046","0.1252","","","","","","1.003","","","","has coordinates","229240","2020-10-21","18:00:00",""
"7045637","11.322","0.004","17.535","0.005","9.999","0.002","90","","112.549","0.009","90","","1833.4","0.9","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Pd(CH2CMe2C6H4)(C6H4N=CH(2-C5H4N))]","","- C22 H22 N2 Pd -","- C22 H22 N2 Pd -","- C88 H88 N8 Pd4 -","4","1","","Behnia, Ava; Fard, Mahmood A.; Blacquiere, Johanna M.; Puddephatt, Richard J.","Mild and selective Pd-Ar protonolysis and C-H activation promoted by a ligand aryloxide group.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3538","3548","10.1039/c8dt00437d","","","0.71073","MoKα","","0.0337","0.0236","","","0.0628","0.0726","","","","","","1.095","","","","has coordinates","229240","2020-10-21","18:00:00",""
"7045638","38.4253","0.0003","38.4253","0.0003","38.4253","0.0003","90","","90","","90","","56735.1","0.8","150","2","150","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","Ru-PMOF-1(Hf)","","- C141 H72 Hf12 N12 O55 Ru3 -","- C141 H72 Hf12 N12 O55 Ru3 -","- C564 H288 Hf48 N48 O220 Ru12 -","4","0.0416667","","Chen, Lianfen; Cui, Hao; Wang, Yanhu; Liang, Xiang; Zhang, Li; Su, Cheng-Yong","Carbene insertion into N-H bonds with size-selectivity induced by a microporous ruthenium-porphyrin metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3940","3946","10.1039/c8dt00434j","","","1.54184","CuKα","","0.1118","0.089","","","0.2288","0.2399","","","","","","1.071","","","","has coordinates","229994","2020-10-21","18:00:00",""
"7045639","10.6104","0.0007","19.4262","0.0012","21.1694","0.0014","90","","98.098","0.004","90","","4319.9","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H15 Br Cl3 N O Pd S -","- C20.5 H15 Br Cl3 N O Pd S -","- C164 H120 Br8 Cl24 N8 O8 Pd8 S8 -","8","2","","Devi, Namita; Sarma, Kuladip; Rahaman, Rajjakfur; Barman, Pranjit","Synthesis of a new series of Ni(ii), Cu(ii), Co(ii) and Pd(ii) complexes with an ONS donor Schiff base: crystal structure, DFT study and catalytic investigation of palladium and nickel complexes towards deacylative sulfenylation of active methylenes and regioselective 3-sulfenylation of indoles via thiouronium salt formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4583","4595","10.1039/c7dt04635a","","","0.71073","MoKα","","0.1564","0.0656","","","0.1178","0.1527","","","","","","0.929","","","","has coordinates","229745","2020-10-21","18:00:00",""
"7045640","4.2348","0.0012","27.689","0.008","4.3503","0.0011","90","","99.198","0.011","90","","503.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 Cl O2 Pb -","- C3 H4 Cl O2 Pb -","- C12 H16 Cl4 O8 Pb4 -","4","1","","Yin, Jinlin; Fei, Honghan","Cationic two-dimensional inorganic networks of antimony oxide hydroxide for Lewis acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4054","4058","10.1039/c8dt00188j","","","0.71073","MoKα","","0.0609","0.0597","","","0.1755","0.1763","","","","","","1.224","","","","has coordinates","230051","2020-10-21","18:00:00",""
"7045641","13.522","0.004","14.632","0.004","15.856","0.005","77.163","0.004","86.79","0.004","67.573","0.004","2826","1.4","238","2","238","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H78 N4 Zn -","- C64 H78 N4 Zn -","- C128 H156 N8 Zn2 -","2","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4607","4612","10.1039/c8dt00149a","","","0.71073","MoKα","","0.1243","0.0591","","","0.1152","0.14","","","","","","0.956","","","","has coordinates","229755","2020-10-21","18:00:00",""
"7045642","21.774","0.003","21.338","0.003","10.5392","0.0013","90","","90","","90","","4896.7","1.1","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H69 Cl2 Li N2 O4 Zn -","- C48 H69 Cl2 Li N2 O4 Zn -","- C192 H276 Cl8 Li4 N8 O16 Zn4 -","4","0.5","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4607","4612","10.1039/c8dt00149a","","","0.71073","MoKα","","0.0911","0.0539","","","0.1413","0.1718","","","","","","1.028","","","","has coordinates,has disorder","229755","2020-10-21","18:00:00",""
"7045643","21.465","0.002","15.5065","0.0014","19.1466","0.0018","90","","114.817","0.001","90","","5784.4","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 N4 Zn2 -","- C64 H80 N4 Zn2 -","- C256 H320 N16 Zn8 -","4","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4607","4612","10.1039/c8dt00149a","","","0.71073","MoKα","","0.1192","0.0508","","","0.1316","0.1798","","","","","","1.02","","","","has coordinates","229755","2020-10-21","18:00:00",""
"7045644","9.555","0.003","23.515","0.009","15.776","0.006","90","","106.742","0.004","90","","3394","2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 N2 Zn -","- C36 H48 N2 Zn -","- C144 H192 N8 Zn4 -","4","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Neutral and anionic zinc compounds supported by a bis(imino)phenyl NCN ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4607","4612","10.1039/c8dt00149a","","","0.71073","MoKα","","0.1149","0.0596","","","0.1206","0.1402","","","","","","1.024","","","","has coordinates,has disorder","229755","2020-10-21","18:00:00",""
"7045645","22.142","0.004","19.799","0.004","23.579","0.005","90","","111.75","0.03","90","","9601","4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H47 Cl Ni O0.5 P4 -","- C53 H47 Cl Ni O0.5 P4 -","- C424 H376 Cl8 Ni8 O4 P32 -","8","2","","Maser, Leon; Herritsch, Jan; Langer, Robert","Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10544","10552","10.1039/c7dt04930g","","","0.71073","MoKα","","0.0687","0.0395","","","0.0897","0.0976","","","","","","0.971","","","","has coordinates","229836","2020-10-21","18:00:00",""
"7045646","13.3928","0.0006","20.9075","0.001","18.7057","0.0011","90","","108.489","0.001","90","","4967.4","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H53 Al Cl2 Ni P4 -","- C54 H53 Al Cl2 Ni P4 -","- C216 H212 Al4 Cl8 Ni4 P16 -","4","0.5","","Maser, Leon; Herritsch, Jan; Langer, Robert","Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10544","10552","10.1039/c7dt04930g","","","0.71073","MoKα","","0.0466","0.0352","","","0.0741","0.0779","","","","","","1.047","","","","has coordinates,has disorder","229836","2020-10-21","18:00:00",""
"7045647","13.59","0.003","17.439","0.004","22.442","0.005","88.48","0.03","72.4","0.03","67.39","0.03","4656","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C104.5 H91 Cl7 Ni2 P8 -","- C104.5 H91 Cl7 Ni2 P8 -","- C209 H182 Cl14 Ni4 P16 -","2","1","","Maser, Leon; Herritsch, Jan; Langer, Robert","Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10544","10552","10.1039/c7dt04930g","","","0.71073","MoKα","","0.0931","0.0641","","","0.1508","0.1638","","","","","","0.949","","","","has coordinates,has disorder","229836","2020-10-21","18:00:00",""
"7045648","12.2896","0.0006","18.9342","0.001","20.4715","0.0011","90","","97.295","0.002","90","","4725","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H45 B2 Cl F8 Ni P4 -","- C51 H45 B2 Cl F8 Ni P4 -","- C204 H180 B8 Cl4 F32 Ni4 P16 -","4","1","","Maser, Leon; Herritsch, Jan; Langer, Robert","Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10544","10552","10.1039/c7dt04930g","","","0.71073","MoKα","","0.0571","0.0445","","","0.1034","0.1118","","","","","","1.027","","","","has coordinates","229836","2020-10-21","18:00:00",""
"7045649","14.102","0.003","14.186","0.003","39.126","0.008","91.13","0.03","97.92","0.03","119.53","0.03","6710","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C319 H281 Ni6 O P24 -","- C319 H281 Ni6 O P24 -","- C319 H281 Ni6 O P24 -","1","0.5","","Maser, Leon; Herritsch, Jan; Langer, Robert","Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10544","10552","10.1039/c7dt04930g","","","0.71073","MoKα","","0.1491","0.0536","","","0.1098","0.1378","","","","","","0.842","","","","has coordinates,has disorder","229836","2020-10-21","18:00:00",""
"7045650","11.9184","0.0009","12.1854","0.0009","13.4699","0.001","68.702","0.003","64.622","0.003","62.36","0.003","1532.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Cl N O P2 Pt -","- C36 H32 Cl N O P2 Pt -","- C72 H64 Cl2 N2 O2 P4 Pt2 -","2","1","","Pasha, Sheik Saleem; Fageria, Leena; Climent, Clàudia; Rath, Nigam P.; Alemany, Pere; Chowdhury, Rajdeep; Roy, Aniruddha; Laskar, Inamur Rahaman","Evaluation of novel platinum(ii) based AIE compound-encapsulated mesoporous silica nanoparticles for cancer theranostic application.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4613","4624","10.1039/c7dt04232a","","","0.71073","MoKα","","0.0226","0.0191","","","0.0401","0.0413","","","","","","1.055","","","","has coordinates,has disorder","229751","2020-10-21","18:00:00",""
"7045651","9.41766","0.00014","12.8965","0.0002","13.5842","0.0003","117.477","0.002","95.3545","0.0014","103.865","0.0014","1380.72","0.05","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C61 H52 Cl4 D N O2 P4 Ru -","- C61 H52 Cl4 D N O2 P4 Ru -","- C61 H52 Cl4 D N O2 P4 Ru -","1","0.5","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0331","0.0324","","","0.0848","0.0855","","","","","","1.041","","","","has coordinates,has disorder","229744","2020-10-21","18:00:00",""
"7045652","16.08908","0.00017","20.13082","0.00018","18.2778","0.0002","90","","99.7351","0.001","90","","5834.68","0.1","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H58 Cl3 N O2 P4 Ru -","- C69 H58 Cl3 N O2 P4 Ru -","- C276 H232 Cl12 N4 O8 P16 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0532","0.0369","","","0.0835","0.0926","","","","","","1.031","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045653","3.86591","0.00012","16.1913","0.0005","9.0929","0.0003","90","","100.696","0.003","90","","559.27","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C32 H18 N2 O4 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0834","0.0841","","","","","","1.079","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045654","16.49656","0.00016","16.69422","0.00014","18.18356","0.00014","90","","90","","90","","5007.7","0.07","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 Cl N O2 P4 Ru -","- C62 H50 Cl N O2 P4 Ru -","- C248 H200 Cl4 N4 O8 P16 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0354","0.0295","","","0.0664","0.0705","","","","","","1.071","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045655","7.0157","0.0004","10.2203","0.0005","12.3017","0.0006","75.91","0.004","87.015","0.004","85.358","0.004","852.24","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N O2 Si -","- C19 H17 N O2 Si -","- C38 H34 N2 O4 Si2 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.107","0.095","","","0.2635","0.2806","","","","","","1.221","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045656","9.19956","0.00017","10.0055","0.0002","15.3374","0.0003","83.4364","0.0019","72.5673","0.0019","87.4685","0.0017","1338.01","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 N Ni O2 P -","- C35 H26 N Ni O2 P -","- C70 H52 N2 Ni2 O4 P2 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0459","0.033","","","0.0735","0.0812","","","","","","1.055","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045657","10.6301","0.0004","11.386","0.0005","13.7945","0.0007","77.211","0.004","69.077","0.004","75.124","0.004","1491.61","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 N Ni O2 P -","- C39 H28 N Ni O2 P -","- C78 H56 N2 Ni2 O4 P2 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0514","0.0376","","","0.0759","0.0842","","","","","","1.049","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045658","10.87123","0.00014","10.86302","0.00014","38.6139","0.0005","90","","91.752","0.0011","90","","4557.95","0.1","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 N O2 P2 Ru -","- C57 H43 N O2 P2 Ru -","- C228 H172 N4 O8 P8 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0455","0.0429","","","0.0958","0.0966","","","","","","1.155","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045659","13.4643","0.0003","12.30268","0.00019","16.3775","0.0002","90","","97.0443","0.0016","90","","2692.41","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 Au N O2 P -","- C34 H23 Au N O2 P -","- C136 H92 Au4 N4 O8 P4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.045","0.0297","","","0.0513","0.0571","","","","","","1.055","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045660","36.1611","0.0008","8.77972","0.00005","23.3532","0.0005","90","","135.829","0.004","90","","5166.3","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H44 Au2 Cl2 N2 O4 P2 -","- C61 H44 Au2 Cl2 N2 O4 P2 -","- C244 H176 Au8 Cl8 N8 O16 P8 -","4","0.5","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0196","0.0196","","","0.0508","0.0509","","","","","","1.043","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045661","12.95865","0.00009","21.29055","0.00015","20.36872","0.00017","90","","102.277","0.0008","90","","5491.14","0.07","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 Cl N O2 P4 Ru -","- C66 H52 Cl N O2 P4 Ru -","- C264 H208 Cl4 N4 O8 P16 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0474","0.0402","","","0.0928","0.0992","","","","","","1.161","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045662","11.71137","0.00011","16.83124","0.00016","21.14557","0.00016","90","","98.9865","0.0008","90","","4116.99","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H41 N O2 P2 Ru -","- C53 H41 N O2 P2 Ru -","- C212 H164 N4 O8 P8 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","1.54184","CuKα","","0.0324","0.0321","","","0.0809","0.081","","","","","","1.066","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045663","12.9941","0.0003","13.3049","0.0003","17.244","0.0004","84.358","0.002","82.209","0.002","63.077","0.003","2631.27","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 Cl N O2 P4 Ru -","- C64 H54 Cl N O2 P4 Ru -","- C128 H108 Cl2 N2 O4 P8 Ru2 -","2","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0448","0.0326","","","0.0732","0.0803","","","","","","1.039","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045664","19.0979","0.0009","19.8019","0.0009","12.9663","0.0006","90","","90","","90","","4903.5","0.4","100","2","100","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H28 Ce N12 O20 Ru -","- C32 H28 Ce N12 O20 Ru -","- C128 H112 Ce4 N48 O80 Ru4 -","4","0.5","","Viere, Erin J.; Kuhn, Ashley E.; Roeder, Margaret H.; Piro, Nicholas A.; Kassel, W. Scott; Dudley, Timothy J.; Paul, Jared J.","Spectroelectrochemical studies of a ruthenium complex containing the pH sensitive 4,4'-dihydroxy-2,2'-bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4149","4161","10.1039/c7dt04554a","","","0.71073","MoKα","","0.0453","0.0346","","","0.0805","0.0877","","","","","","1.073","","","","has coordinates","230050","2020-10-21","18:00:00",""
"7045665","13.1914","0.0012","25.72","0.002","51.306","0.005","90","","95.456","0.002","90","","17328","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H97 N14 O21.5 P4 Pt12 -","- C64.5 H97 N14 O21.5 P4 Pt12 -","- C516 H776 N112 O172 P32 Pt96 -","8","2","","Batchelor, Lucinda K.; Berti, Beatrice; Cesari, Cristiana; Ciabatti, Iacopo; Dyson, Paul J.; Femoni, Cristina; Iapalucci, Maria C.; Mor, Matteo; Ruggieri, Silvia; Zacchini, Stefano","Water soluble derivatives of platinum carbonyl Chini clusters: synthesis, molecular structures and cytotoxicity of [Pt<sub>12</sub>(CO)<sub>20</sub>(PTA)<sub>4</sub>]<sup>2-</sup> and [Pt<sub>15</sub>(CO)<sub>25</sub>(PTA)<sub>5</sub>]<sup>2-</sup> .","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4467","4477","10.1039/c8dt00228b","","","0.71073","MoKα","","0.1145","0.0982","","","0.1967","0.2031","","","","","","1.226","","","","has coordinates","229741","2020-10-21","18:00:00",""
"7045666","13.263","0.0007","26.2687","0.0014","30.2864","0.0016","90","","94.781","0.001","90","","10515.1","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H98 N17 O26 P5 Pt15 -","- C78 H98 N17 O26 P5 Pt15 -","- C312 H392 N68 O104 P20 Pt60 -","4","1","","Batchelor, Lucinda K.; Berti, Beatrice; Cesari, Cristiana; Ciabatti, Iacopo; Dyson, Paul J.; Femoni, Cristina; Iapalucci, Maria C.; Mor, Matteo; Ruggieri, Silvia; Zacchini, Stefano","Water soluble derivatives of platinum carbonyl Chini clusters: synthesis, molecular structures and cytotoxicity of [Pt<sub>12</sub>(CO)<sub>20</sub>(PTA)<sub>4</sub>]<sup>2-</sup> and [Pt<sub>15</sub>(CO)<sub>25</sub>(PTA)<sub>5</sub>]<sup>2-</sup> .","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4467","4477","10.1039/c8dt00228b","","","0.71073","MoKα","","0.1563","0.1103","","","0.2163","0.2365","","","","","","1.151","","","","has coordinates","229741","2020-10-21","18:00:00",""
"7045667","10.5677","0.0009","17.7146","0.0015","15.1486","0.0014","90","","90.232","0.002","90","","2835.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Fe P3 Si -","- C26 H39 Fe P3 Si -","- C104 H156 Fe4 P12 Si4 -","4","1","","Ren, Shishuai; Xie, Shangqing; Zheng, Tingting; Wang, Yangyang; Xu, Shilu; Xue, Benjing; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of silyl iron hydride via Si-H activation and its dual catalytic application in the hydrosilylation of carbonyl compounds and dehydration of benzamides.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4352","4359","10.1039/c8dt00289d","","","0.71073","MoKα","","0.0668","0.0464","","","0.1044","0.1117","","","","","","1.041","","","","has coordinates","230045","2020-10-21","18:00:00",""
"7045668","18.8998","0.0003","9.85077","0.00015","25.1072","0.0004","90","","122.417","0.0009","90","","3945.96","0.11","298","","298","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","erbium 2-(tosylamino)benzylidene-N-benzoylhydrazonate","adk203","- C42 H35 Er N6 O6 S2 -","- C42 H35 Er N6 O6 S2 -","- C168 H140 Er4 N24 O24 S8 -","4","1","","Kovalenko, Anton D.; Bushmarinov, Ivan S.; Burlov, Anatoly D.; Lepnev, Leonid; Ilina, Elena G.; Utochnikova, Valentina V.","The peculiarities of complex formation and energy transfer processes in lanthanide complexes with 2-(tosylamino)-benzylidene-N-benzoylhydrazone","Dalton Transactions","2018","","","","","10.1039/C7DT04387B","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.023","0.035","","","","","","","has coordinates","206510","2020-10-21","18:00:00",""
"7045669","10.6091","0.0007","11.4231","0.0007","17.4138","0.0011","87.312","0.002","73.03","0.002","85.723","0.001","2012.1","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","lutetium 2-(tosylamino)benzylidene-N-benzoylhydrazonate","","- C42 H36 Cl Lu N6 O6 S2 -","- C42 H36 Cl Lu N6 O6 S2 -","- C84 H72 Cl2 Lu2 N12 O12 S4 -","2","1","","Kovalenko, Anton D.; Bushmarinov, Ivan S.; Burlov, Anatoly D.; Lepnev, Leonid; Ilina, Elena G.; Utochnikova, Valentina V.","The peculiarities of complex formation and energy transfer processes in lanthanide complexes with 2-(tosylamino)-benzylidene-N-benzoylhydrazone","Dalton Transactions","2018","","","","","10.1039/C7DT04387B","","","0.71073","MoKα","","0.0654","0.0451","","","0.0816","0.0886","","","","","","1.048","","","","has coordinates","206510","2020-10-21","18:00:00",""
"7045670","12.53","0.003","15.64","0.003","22.612","0.005","103.12","0.03","101.74","0.03","93.34","0.03","4199.9","1.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","ytterbium 2-(tosylamino)benzylidene-N-benzoylhydrazonate","","- C42 H39 N6 O8 S2 Yb -","- C42 H39 N6 O8 S2 Yb -","- C168 H156 N24 O32 S8 Yb4 -","4","2","","Kovalenko, Anton D.; Bushmarinov, Ivan S.; Burlov, Anatoly D.; Lepnev, Leonid; Ilina, Elena G.; Utochnikova, Valentina V.","The peculiarities of complex formation and energy transfer processes in lanthanide complexes with 2-(tosylamino)-benzylidene-N-benzoylhydrazone","Dalton Transactions","2018","","","","","10.1039/C7DT04387B","","","1.54178","CuKα","","0.0927","0.0621","","","0.1563","0.1763","","","","","","1.029","","","","has coordinates,has disorder","206510","2020-10-21","18:00:00",""
"7045671","10.7608","0.0006","12.5093","0.0007","17.4399","0.001","77.571","0.001","83.121","0.001","75.243","0.001","2211.7","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","","ytterbium 2-(tosylamino)benzylidene-N-benzoylhydrazonate","","- C46 H49 N6 O9 S2 Yb -","- C46 H49 N6 O9 S2 Yb -","- C92 H98 N12 O18 S4 Yb2 -","2","1","","Kovalenko, Anton D.; Bushmarinov, Ivan S.; Burlov, Anatoly D.; Lepnev, Leonid; Ilina, Elena G.; Utochnikova, Valentina V.","The peculiarities of complex formation and energy transfer processes in lanthanide complexes with 2-(tosylamino)-benzylidene-N-benzoylhydrazone","Dalton Transactions","2018","","","","","10.1039/C7DT04387B","","","0.71073","MoKα","","0.0618","0.0431","","","0.0806","0.086","","","","","","0.984","","","","has coordinates","206510","2020-10-21","18:00:00",""
"7045672","23.5126","0.0003","11.8347","0.0001","23.8529","0.0003","90","","90","","90","","6637.42","0.13","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H52 N2 P2 Sn -","- C31 H52 N2 P2 Sn -","- C248 H416 N16 P16 Sn8 -","8","1","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub> (E = C, Si, Ge, Sn).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4534","4544","10.1039/c7dt04561a","","","1.5418","CuKα","","0.0342","0.0315","","","0.0816","0.0841","","","","","","1.023","","","","has coordinates","229750","2020-10-21","18:00:00",""
"7045673","27.8898","0.0011","19.6719","0.0007","16.2784","0.0005","90","","98.159","0.004","90","","8840.7","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C75 H124 Cl4 N4 P4 Ru2 Sn2 -","- C75 H124 Cl4 N4 P4 Ru2 Sn2 -","- C300 H496 Cl16 N16 P16 Ru8 Sn8 -","4","0.5","","Brugos, Javier; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Synthesis and some coordination chemistry of the PSnP pincer-type stannylene Sn(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>, attempts to prepare the PSiP analogue, and the effect of the E atom on the molecular structures of E(NCH<sub>2</sub>P<sup>t</sup>Bu<sub>2</sub>)<sub>2</sub>C<sub>6</sub>H<sub>4</sub> (E = C, Si, Ge, Sn).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4534","4544","10.1039/c7dt04561a","","","1.5418","CuKα","","0.0702","0.0495","","","0.1409","0.1743","","","","","","1.061","","","","has coordinates,has disorder","229750","2020-10-21","18:00:00",""
"7045674","18.1246","0.0003","11.4075","0.0002","23.8632","0.0004","90","","99.146","0.001","90","","4871.14","0.14","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 As2 N2 -","- C62 H60 As2 N2 -","- C248 H240 As8 N8 -","4","0.5","","Bresien, J.; Hinz, A.; Schulz, A.; Villinger, A.","Trapping of transient, heavy pnictogen-centred biradicals.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4433","4436","10.1039/c8dt00487k","","","0.71073","MoKα","","0.0648","0.0366","","","0.0808","0.0912","","","","","","1.009","","","","has coordinates,has disorder","229752","2020-10-21","18:00:00",""
"7045675","12.0121","0.0009","12.3543","0.0009","19.4785","0.0014","98.965","0.004","101.551","0.004","90.87","0.004","2794.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 N2 Sb2 -","- C68 H66 N2 Sb2 -","- C136 H132 N4 Sb4 -","2","1","","Bresien, J.; Hinz, A.; Schulz, A.; Villinger, A.","Trapping of transient, heavy pnictogen-centred biradicals.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4433","4436","10.1039/c8dt00487k","","","0.71073","MoKα","","0.0699","0.0387","","","0.0721","0.0837","","","","","","1.011","","","","has coordinates,has disorder","229752","2020-10-21","18:00:00",""
"7045676","12.0269","0.0008","12.4083","0.0008","19.5579","0.0012","98.92","0.002","101.713","0.003","90.533","0.002","2820.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H66 Bi2 N2 -","- C68 H66 Bi2 N2 -","- C136 H132 Bi4 N4 -","2","1","","Bresien, J.; Hinz, A.; Schulz, A.; Villinger, A.","Trapping of transient, heavy pnictogen-centred biradicals.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4433","4436","10.1039/c8dt00487k","","","0.71073","MoKα","","0.0425","0.0262","","","0.0488","0.0531","","","","","","1.022","","","","has coordinates,has disorder","229752","2020-10-21","18:00:00",""
"7045677","6.198","0.0002","19.1223","0.0006","27.6952","0.0008","90","","90","","90","","3282.44","0.18","101","2","101.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O2 Tl2 -","- C32 H46 N2 O2 Tl2 -","- C128 H184 N8 O8 Tl8 -","4","1","","Boyle, Timothy J.; Perales, Diana; Rimsza, Jessica M.; Alam, Todd M.; Boye, Daniel M.; Sears, Jeremiah M.; Greathouse, Jeffery A.; Kemp, Richard A.","Synthesis and characterization of thallium-salen derivatives for use as underground fluid flow tracers.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4162","4174","10.1039/c7dt04121g","","","1.54178","CuKα","","0.0275","0.027","","","0.0677","0.068","","","","","","1.103","","","","has coordinates","230048","2020-10-21","18:00:00",""
"7045678","17.7707","0.0005","25.4858","0.0007","31.6358","0.0009","90","","90","","90","","14327.9","0.7","101","2","100.91","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H46 N2 O2 Tl2 -","- C36 H46 N2 O2 Tl2 -","- C576 H736 N32 O32 Tl32 -","16","2","","Boyle, Timothy J.; Perales, Diana; Rimsza, Jessica M.; Alam, Todd M.; Boye, Daniel M.; Sears, Jeremiah M.; Greathouse, Jeffery A.; Kemp, Richard A.","Synthesis and characterization of thallium-salen derivatives for use as underground fluid flow tracers.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4162","4174","10.1039/c7dt04121g","","","1.54178","CuKα","","0.0308","0.0282","","","0.0704","0.0719","","","","","","1.087","","","","has coordinates,has disorder","230048","2020-10-21","18:00:00",""
"7045679","8.9716","0.0004","6.9908","0.0004","16.3989","0.0006","90","","97.259","0.004","90","","1020.27","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N6 S -","- C7 H10 N6 S -","- C28 H40 N24 S4 -","4","1","","Zhan, Shun-Ze; Jiang, Xia; Zheng, Ji; Huang, Xin-Da; Chen, Guang-Hui; Li, Dan","A luminescent supramolecular Cu<sub>2</sub>I<sub>2</sub>(NH<sub>3</sub>)<sub>2</sub>-sandwiched Cu<sub>3</sub>(pyrazolate)<sub>3</sub> adduct as a temperature sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3679","3683","10.1039/c8dt00069g","","","0.71073","MoKα","","0.0549","0.0432","","","0.1359","0.1502","","","","","","1.087","","","","has coordinates","229995","2020-10-21","18:00:00",""
"7045680","10.4769","0.0004","11.0875","0.0004","15.7405","0.0006","93.946","0.003","95.294","0.003","91.41","0.003","1815.46","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cu8 I2 N38 S6 -","- C42 H60 Cu8 I2 N38 S6 -","- C42 H60 Cu8 I2 N38 S6 -","1","0.5","","Zhan, Shun-Ze; Jiang, Xia; Zheng, Ji; Huang, Xin-Da; Chen, Guang-Hui; Li, Dan","A luminescent supramolecular Cu<sub>2</sub>I<sub>2</sub>(NH<sub>3</sub>)<sub>2</sub>-sandwiched Cu<sub>3</sub>(pyrazolate)<sub>3</sub> adduct as a temperature sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3679","3683","10.1039/c8dt00069g","","","0.71073","MoKα","","0.0699","0.0492","","","0.1252","0.1419","","","","","","1.033","","","","has coordinates","229995","2020-10-21","18:00:00",""
"7045681","10.33551","0.00013","10.98757","0.00011","15.67208","0.00018","93.6941","0.0009","95.8876","0.001","90.6089","0.0009","1766.42","0.04","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H60 Cu8 I2 N38 S6 -","- C42 H60 Cu8 I2 N38 S6 -","- C42 H60 Cu8 I2 N38 S6 -","1","0.5","","Zhan, Shun-Ze; Jiang, Xia; Zheng, Ji; Huang, Xin-Da; Chen, Guang-Hui; Li, Dan","A luminescent supramolecular Cu<sub>2</sub>I<sub>2</sub>(NH<sub>3</sub>)<sub>2</sub>-sandwiched Cu<sub>3</sub>(pyrazolate)<sub>3</sub> adduct as a temperature sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3679","3683","10.1039/c8dt00069g","","x-ray","1.54184","CuKα","","0.0443","0.0441","","","0.1517","0.152","","","","","","1.42","","","","has coordinates","229995","2020-10-21","18:00:00",""
"7045682","19.1243","0.0006","11.2003","0.0002","18.9602","0.0005","90","","109.715","0.003","90","","3823.17","0.19","150","2","150","2","","","","","","","no","4","P 1 21/c 1","-P 2ybc","14","no","N-methylimidazole complex of vanadium(II) phthalocyanine, N-methylimidazole solvate","","- C44 H34 N14 V -","- C44 H34 N14 V -","- C176 H136 N56 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4661","4671","10.1039/c8dt00459e","","x-ray","0.71073","MoKα","","0.0788","0.0457","","","0.0949","0.1087","","","","","","1.018","","","","has coordinates,has disorder","229743","2020-10-21","18:00:00",""
"7045683","13.7115","0.0002","17.6061","0.0002","9.5608","0.0001","90","","100.538","0.001","90","","2269.11","0.05","130","2","130","2","","","","","","","no","5","P 1 21/c 1","-P 2ybc","14","no","N-methylimidazole complex of vanadium(II) phthalocyanine o-dichlorobenzene solvate","","- C52 H36 Cl4 N12 V -","- C52 H36 Cl4 N12 V -","- C104 H72 Cl8 N24 V2 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4661","4671","10.1039/c8dt00459e","","x-ray","0.71073","MoKα","","0.0415","0.0336","","","0.0853","0.09","","","","","","1.044","","","","has coordinates","229743","2020-10-21","18:00:00",""
"7045684","24.7918","0.0009","10.5704","0.0003","18.1334","0.0007","90","","108.24","0.004","90","","4513.3","0.3","150","2","150","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","N-methylimidazole complex of vanadium(II) phthalocyanine o-dichlorobenzene solvate","","- C52 H36 Cl4 Cr N12 -","- C52 H36 Cl4 Cr N12 -","- C208 H144 Cl16 Cr4 N48 -","4","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4661","4671","10.1039/c8dt00459e","","x-ray","0.71073","MoKα","","0.061","0.0428","","","0.1047","0.1162","","","","","","1.067","","","","has coordinates,has disorder","229743","2020-10-21","18:00:00",""
"7045685","24.6494","0.0013","10.6126","0.0004","18.1082","0.0008","90","","108.584","0.005","90","","4490","0.4","150","2","150","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","N-methylimidazole complex of iron(II) phthalocyanine o-dichlorobenzene solvate","","- C52 H36 Cl4 Fe N12 -","- C52 H36 Cl4 Fe N12 -","- C208 H144 Cl16 Fe4 N48 -","4","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Synthesis and properties of N-methylimidazole solvates of vanadium(ii), chromium(ii) and iron(ii) phthalocyanines. Strong NIR absorption in V<sup>II</sup>(MeIm)<sub>2</sub>(Pc<sup>2-</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4661","4671","10.1039/c8dt00459e","","x-ray","0.71073","MoKα","","0.0612","0.0548","","","0.1618","0.1681","","","","","","1.068","","","","has coordinates,has disorder","229743","2020-10-21","18:00:00",""
"7045686","35.84","0.008","12.056","0.003","22.196","0.005","90","","90","","90","","9591","4","113","2","113","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C69 H45 Co2 F42 N8 O18 Tb -","- C69 H45 Co2 F42 N8 O18 Tb -","- C276 H180 Co8 F168 N32 O72 Tb4 -","4","0.5","","Sun, Guifang; Guo, Jianni; Yang, Meng; Xi, Lu; Li, Licun; Sutter, Jean-Pascal","Two-dimensional Co-Ln networks bridged by phenyl pyrimidyl substituted nitronyl nitroxides: structural and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4672","4677","10.1039/c8dt00270c","","","0.71073","MoKα","","0.1926","0.0958","","","0.217","0.2818","","","","","","1.053","","","","has coordinates","229753","2020-10-21","18:00:00",""
"7045687","9.0644","0.0004","10.8851","0.0005","12.5763","0.0006","64.359","0.001","74.99","0.001","86.65","0.001","1078.45","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 Al N2 -","- C26 H25 Al N2 -","- C52 H50 Al2 N4 -","2","1","","Wang, Peng; Chao, Jianbin; Chen, Xia","Living ring-opening polymerization of ε-caprolactone catalyzed by β-quinolyl-enamino aluminium complexes: ligand electronic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4118","4127","10.1039/c7dt04522k","","","0.71073","MoKα","","0.0556","0.0437","","","0.1154","0.1247","","","","","","1.016","","","","has coordinates","230042","2020-10-21","18:00:00",""
"7045688","13.1627","0.0005","7.2645","0.0003","20.2474","0.0007","90","","106.651","0.001","90","","1854.88","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 F3 N2 -","- C24 H17 F3 N2 -","- C96 H68 F12 N8 -","4","1","","Wang, Peng; Chao, Jianbin; Chen, Xia","Living ring-opening polymerization of ε-caprolactone catalyzed by β-quinolyl-enamino aluminium complexes: ligand electronic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4118","4127","10.1039/c7dt04522k","","","0.71073","MoKα","","0.0601","0.0466","","","0.1234","0.1345","","","","","","1.045","","","","has coordinates","230042","2020-10-21","18:00:00",""
"7045689","9.6198","0.0004","9.7898","0.0004","19.677","0.0009","91.563","0.002","103.797","0.001","116.983","0.001","1583.95","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 Al N2 O -","- C36 H45 Al N2 O -","- C72 H90 Al2 N4 O2 -","2","1","","Wang, Peng; Chao, Jianbin; Chen, Xia","Living ring-opening polymerization of ε-caprolactone catalyzed by β-quinolyl-enamino aluminium complexes: ligand electronic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4118","4127","10.1039/c7dt04522k","","","0.71073","MoKα","","0.0747","0.0555","","","0.1347","0.1476","","","","","","1.004","","","","has coordinates","230042","2020-10-21","18:00:00",""
"7045690","9.2397","0.0005","10.9749","0.0005","12.4644","0.0006","113.975","0.001","102.94","0.001","95.341","0.001","1101.26","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Al F N2 -","- C26 H24 Al F N2 -","- C52 H48 Al2 F2 N4 -","2","1","","Wang, Peng; Chao, Jianbin; Chen, Xia","Living ring-opening polymerization of ε-caprolactone catalyzed by β-quinolyl-enamino aluminium complexes: ligand electronic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4118","4127","10.1039/c7dt04522k","","","0.71073","MoKα","","0.0684","0.0472","","","0.112","0.1243","","","","","","1.016","","","","has coordinates","230042","2020-10-21","18:00:00",""
"7045691","11.2604","0.0008","17.9382","0.0013","12.3473","0.0009","90","","112.366","0.002","90","","2306.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Al F3 N2 -","- C26 H22 Al F3 N2 -","- C104 H88 Al4 F12 N8 -","4","1","","Wang, Peng; Chao, Jianbin; Chen, Xia","Living ring-opening polymerization of ε-caprolactone catalyzed by β-quinolyl-enamino aluminium complexes: ligand electronic effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4118","4127","10.1039/c7dt04522k","","","0.71073","MoKα","","0.0633","0.0443","","","0.1156","0.1286","","","","","","1.023","","","","has coordinates","230042","2020-10-21","18:00:00",""
"7045692","12.7028","0.0004","13.7482","0.0005","15.9733","0.0006","98.759","0.002","112.617","0.001","91.3","0.001","2534.91","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H22 Ag0.5 F4.5 N3 O4.5 S1.5 -","- C23.5 H22 Ag0.5 F4.5 N3 O4.5 S1.5 -","- C94 H88 Ag2 F18 N12 O18 S6 -","4","2","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.5608","AgKα","","0.0556","0.0409","","","0.1271","0.1404","","","","","","1.007","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045693","7.2839","0.0007","13.2903","0.0012","14.883","0.0013","71.074","0.003","80.495","0.003","79.623","0.003","1331.7","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 Cl N3 O2 Rh -","- C31 H31 Cl N3 O2 Rh -","- C62 H62 Cl2 N6 O4 Rh2 -","2","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.56086","AgKα","","0.0666","0.0527","","","0.145","0.156","","","","","","1.016","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045694","32.9652","0.0017","7.9318","0.0005","22.4318","0.0013","90","","92.265","0.002","90","","5860.7","0.6","273","2","273","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl F3 N3 O3 Rh S -","- C30 H34 Cl F3 N3 O3 Rh S -","- C240 H272 Cl8 F24 N24 O24 Rh8 S8 -","8","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.56086","AgKα","","0.048","0.0361","","","0.1093","0.1192","","","","","","0.885","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045695","13.0101","0.0007","11.4324","0.0006","24.3136","0.0013","90","","100.037","0.002","90","","3561","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 F6 N4 O6 Rh S2 -","- C33 H37 F6 N4 O6 Rh S2 -","- C132 H148 F24 N16 O24 Rh4 S8 -","4","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.56086","AgKα","","0.0507","0.0424","","","0.1512","0.1619","","","","","","1.321","","","","has coordinates,has disorder","229863","2020-10-21","18:00:00",""
"7045696","7.6788","0.0004","23.8363","0.0012","14.9392","0.0007","90","","102.651","0.002","90","","2668","0.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl F3 N3 O5 Rh S -","- C24 H22 Cl F3 N3 O5 Rh S -","- C96 H88 Cl4 F12 N12 O20 Rh4 S4 -","4","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.56086","AgKα","","0.0774","0.0568","","","0.1637","0.1777","","","","","","1.264","","","","has coordinates,has disorder","229863","2020-10-21","18:00:00",""
"7045697","11.3236","0.0003","14.9984","0.0004","16.8636","0.0005","73.394","0.001","89.051","0.001","86.492","0.001","2739.45","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H56 Au F9 N6 O11 S3 -","- C51 H56 Au F9 N6 O11 S3 -","- C102 H112 Au2 F18 N12 O22 S6 -","2","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.5608","AgKα","","0.0323","0.0266","","","0.0809","0.0925","","","","","","0.737","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045698","8.1786","0.0013","21.633","0.003","17.088","0.003","90","","94.636","0.005","90","","3013.4","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H50 Ag2 F12 N8 O12 S4 -","- C50 H50 Ag2 F12 N8 O12 S4 -","- C100 H100 Ag4 F24 N16 O24 S8 -","2","1","","Iglesias-Sigüenza, Javier; Izquierdo, Cristina; Díez, Elena; Fernández, Rosario; Lassaletta, José M","N-Heterotricyclic cationic carbene ligands. Synthesis, reactivity and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5196","5206","10.1039/c8dt00213d","","","0.5608","AgKα","","0.1036","0.083","","","0.213","0.2228","","","","","","1.303","","","","has coordinates","229863","2020-10-21","18:00:00",""
"7045699","22.6598","0.0004","11.9386","0.0002","35.4316","0.0007","90","","90","","90","","9585.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H62 B2 F10 P2 -","- C50 H62 B2 F10 P2 -","- C400 H496 B16 F80 P16 -","8","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.1244","0.0702","","","0.1306","0.1532","","","","","","1.032","","","","has coordinates,has disorder","229756","2020-10-21","18:00:00",""
"7045700","9.0259","0.0006","24.2046","0.0013","15.7132","0.001","90","","98.923","0.002","90","","3391.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 B2 F10 P S -","- C33 H39 B2 F10 P S -","- C132 H156 B8 F40 P4 S4 -","4","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.0723","0.0505","","","0.1159","0.1274","","","","","","1.038","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045701","9.8784","0.0007","12.2893","0.0009","14.1512","0.0011","71.507","0.004","75.714","0.003","88.224","0.004","1576.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 B F5 O P -","- C35 H43 B F5 O P -","- C70 H86 B2 F10 O2 P2 -","2","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0441","0.0378","","","0.0912","0.0948","","","","","","1.052","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045702","11.3401","0.0014","12.3804","0.0015","13.2251","0.0016","80.247","0.004","71.021","0.004","87.949","0.004","1730.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 B F5 O P -","- C40 H43 B F5 O P -","- C80 H86 B2 F10 O2 P2 -","2","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.1006","0.0532","","","0.095","0.1091","","","","","","1.007","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045703","24.35","0.0003","15.0736","0.0003","17.1713","0.0003","90","","113.773","0.001","90","","5767.81","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H78 B2 F10 P2 -","- C64 H78 B2 F10 P2 -","- C256 H312 B8 F40 P8 -","4","0.5","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.058","0.0486","","","0.114","0.1222","","","","","","1.051","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045704","10.8445","0.0003","11.92","0.0003","13.1484","0.0003","86.052","0.001","70.285","0.001","66.502","0.001","1463.09","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H78 B2 F10 P2 -","- C64 H78 B2 F10 P2 -","- C64 H78 B2 F10 P2 -","1","0.5","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0448","0.038","","","0.0979","0.1022","","","","","","1.044","","","","has coordinates,has disorder","229756","2020-10-21","18:00:00",""
"7045705","10.2009","0.0003","13.8694","0.0006","20.6471","0.0009","104.008","0.004","97.438","0.003","91.575","0.002","2805.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 B F5 P -","- C28 H39 B F5 P -","- C112 H156 B4 F20 P4 -","4","2","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.1273","0.0845","","","0.154","0.1797","","","","","","1.106","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045706","12.1408","0.0003","15.4506","0.0004","16.6403","0.0005","77.209","0.001","76.719","0.001","77.929","0.001","2921.08","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 B F5 O P -","- C32 H37 B F5 O P -","- C128 H148 B4 F20 O4 P4 -","4","2","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0555","0.0454","","","0.1179","0.1243","","","","","","1.054","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045707","10.6253","0.0005","10.6747","0.0005","12.3972","0.0006","103.882","0.002","97.692","0.002","100.679","0.002","1317.76","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H74 B2 F10 P2 -","- C56 H74 B2 F10 P2 -","- C56 H74 B2 F10 P2 -","1","0.5","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0754","0.0643","","","0.1639","0.1709","","","","","","1.048","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045708","11.1225","0.0006","11.7795","0.0006","14.5374","0.0008","74.415","0.003","78.609","0.003","79.231","0.003","1780.34","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H45 B F5 P -","- C42 H45 B F5 P -","- C84 H90 B2 F10 P2 -","2","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0451","0.0376","","","0.0933","0.0971","","","","","","1.064","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045709","12.4707","0.0004","11.7399","0.0004","16.9189","0.0005","90","","100.647","0.002","90","","2434.36","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 B F5 P -","- C25 H31 B F5 P -","- C100 H124 B4 F20 P4 -","4","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","1.54178","CuKα","","0.0482","0.038","","","0.0956","0.101","","","","","","1.05","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045710","10.1084","0.0008","12.6426","0.0009","13.232","0.0011","94.185","0.003","92.423","0.003","101.427","0.003","1650.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B F5 P -","- C39 H39 B F5 P -","- C78 H78 B2 F10 P2 -","2","1","","Dong, Shunxi; Wang, Long; Wang, Tongdao; Daniliuc, Constantin G.; Brinkkötter, Melanie; Eckert, Hellmut; Kehr, Gerald; Erker, Gerhard","Formation and reactions of active five-membered phosphane/borane frustrated Lewis pair ring systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4449","4454","10.1039/c8dt00672e","","","0.71073","MoKα","","0.0776","0.0485","","","0.1027","0.1141","","","","","","1.02","","","","has coordinates","229756","2020-10-21","18:00:00",""
"7045711","12.1539","0.0008","12.8094","0.0007","18.1769","0.0012","90","","104.998","0.007","90","","2733.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H48 Dy2 N6 O20 Zn2 -","- C46 H48 Dy2 N6 O20 Zn2 -","- C92 H96 Dy4 N12 O40 Zn4 -","2","0.5","","Sampani, Stavroula I.; Aubert, Sidonie; Cattoen, Martin; Griffiths, Kieran; Abdul-Sada, Alaa; Akien, Geoffrey R.; Tizzard, Graham J.; Coles, Simon J.; Arseniyadis, Stellios; Kostakis, George E.","Dinucleating Schiff base ligand in Zn/4f coordination chemistry: synthetic challenges and catalytic activity evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4486","4493","10.1039/c8dt00538a","","x-ray","0.71073","MoKα","K-L~3~","0.1095","0.0953","","","0.249","0.2627","","","","","","1.086","","","","has coordinates,has disorder","229742","2020-10-21","18:00:00",""
"7045712","11.013","0.0015","12.969","0.0015","13.1459","0.0014","99.823","0.009","98.676","0.01","95.68","0.01","1813.8","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 N4 O15 Y Zn -","- C32 H39 N4 O15 Y Zn -","- C64 H78 N8 O30 Y2 Zn2 -","2","1","","Sampani, Stavroula I.; Aubert, Sidonie; Cattoen, Martin; Griffiths, Kieran; Abdul-Sada, Alaa; Akien, Geoffrey R.; Tizzard, Graham J.; Coles, Simon J.; Arseniyadis, Stellios; Kostakis, George E.","Dinucleating Schiff base ligand in Zn/4f coordination chemistry: synthetic challenges and catalytic activity evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4486","4493","10.1039/c8dt00538a","","x-ray","1.54184","CuKα","","0.0971","0.0653","","","0.1629","0.1957","","","","","","1.021","","","","has coordinates,has disorder","229742","2020-10-21","18:00:00",""
"7045713","16.1433","0.0004","8.2376","0.0002","24.0684","0.0005","90","","93.819","0.002","90","","3193.56","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 Cl Dy N4 O11 Zn -","- C24 H30 Cl Dy N4 O11 Zn -","- C96 H120 Cl4 Dy4 N16 O44 Zn4 -","4","1","","Sampani, Stavroula I.; Aubert, Sidonie; Cattoen, Martin; Griffiths, Kieran; Abdul-Sada, Alaa; Akien, Geoffrey R.; Tizzard, Graham J.; Coles, Simon J.; Arseniyadis, Stellios; Kostakis, George E.","Dinucleating Schiff base ligand in Zn/4f coordination chemistry: synthetic challenges and catalytic activity evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4486","4493","10.1039/c8dt00538a","","x-ray","1.54184","CuKα","","0.0603","0.0532","","","0.1543","0.1601","","","","","","1.123","","","","has coordinates,has disorder","229742","2020-10-21","18:00:00",""
"7045714","8.2025","0.0003","14.3533","0.0005","14.4172","0.0006","67.998","0.004","83.196","0.003","80.804","0.003","1550.35","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 Cl N4 O11 Y Zn -","- C24 H30 Cl N4 O11 Y Zn -","- C48 H60 Cl2 N8 O22 Y2 Zn2 -","2","1","","Sampani, Stavroula I.; Aubert, Sidonie; Cattoen, Martin; Griffiths, Kieran; Abdul-Sada, Alaa; Akien, Geoffrey R.; Tizzard, Graham J.; Coles, Simon J.; Arseniyadis, Stellios; Kostakis, George E.","Dinucleating Schiff base ligand in Zn/4f coordination chemistry: synthetic challenges and catalytic activity evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4486","4493","10.1039/c8dt00538a","","x-ray","0.71075","MoKα","K-L~3~","0.0674","0.0456","","","0.1114","0.1205","","","","","","1.035","","","","has coordinates,has disorder","229742","2020-10-21","18:00:00",""
"7045715","12.7786","0.0018","47.775","0.007","9.2651","0.001","90","","92.972","0.005","90","","5648.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H24 Ce2 N12 O40 -","- C42 H24 Ce2 N12 O40 -","- C168 H96 Ce8 N48 O160 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0723","0.0541","","","0.128","0.1451","","","","","","0.901","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045716","9.295","0.0006","11.472","0.0008","13.821","0.001","106.487","0.003","90.356","0.003","94.15","0.003","1408.91","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 Nd O21 -","- C21 H15 N6 Nd O21 -","- C42 H30 N12 Nd2 O42 -","2","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0573","0.0406","","","0.0784","0.0851","","","","","","0.954","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045717","8.893","0.003","13.631","0.004","14.316","0.004","63.296","0.011","79.353","0.013","72.448","0.011","1475.6","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Eu2 N12 O42 -","- C42 H30 Eu2 N12 O42 -","- C42 H30 Eu2 N12 O42 -","1","0.5","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0517","0.0378","","","0.0844","0.1108","","","","","","1.163","","","","has coordinates,has disorder","229746","2020-10-21","18:00:00",""
"7045718","8.935","0.0007","13.675","0.0012","14.318","0.0013","63.305","0.003","79.447","0.004","72.332","0.003","1487","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Gd2 N12 O42 -","- C42 H30 Gd2 N12 O42 -","- C42 H30 Gd2 N12 O42 -","1","0.5","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0188","0.0174","","","0.0428","0.0436","","","","","","1.06","","","","has coordinates,has disorder","229746","2020-10-21","18:00:00",""
"7045719","12.839","0.0014","47.454","0.006","9.203","0.0009","90","","92.811","0.004","90","","5600.3","1.1","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H18 N12 O40 Sm2 -","- C42 H18 N12 O40 Sm2 -","- C168 H72 N48 O160 Sm8 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0759","0.0522","","","0.1174","0.1343","","","","","","0.878","","","","has coordinates,has disorder","229746","2020-10-21","18:00:00",""
"7045720","8.926","0.0009","8.983","0.0008","16.656","0.0016","75.642","0.003","77.479","0.003","61.24","0.003","1126.7","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N4 Nd O16 -","- C16 H13 N4 Nd O16 -","- C32 H26 N8 Nd2 O32 -","2","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0391","0.0315","","","0.0772","0.0839","","","","","","1.089","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045721","14.1321","0.0004","8.897","0.0003","25.7568","0.0007","90","","90","","90","","3238.49","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H26 Gd2 N4 O24 -","- C22 H26 Gd2 N4 O24 -","- C88 H104 Gd8 N16 O96 -","4","0.5","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0325","0.027","","","0.0603","0.0626","","","","","","1.243","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045722","8.9791","0.0013","14.499","0.002","23.157","0.004","81.559","0.008","89.492","0.007","81.411","0.007","2948.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H31 La2 N13 O40 -","- C45 H31 La2 N13 O40 -","- C90 H62 La4 N26 O80 -","2","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0595","0.0381","","","0.081","0.0902","","","","","","1.001","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045723","12.771","0.003","47.712","0.009","9.221","0.002","90","","92.452","0.011","90","","5613","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H18 N12 O40 Pr2 -","- C42 H18 N12 O40 Pr2 -","- C168 H72 N48 O160 Pr8 -","4","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.0532","0.039","","","0.0731","0.0785","","","","","","0.974","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045724","9.209","0.0017","11.329","0.002","13.664","0.003","106.024","0.008","90.136","0.009","94.491","0.009","1365.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Eu N6 O21 -","- C21 H15 Eu N6 O21 -","- C42 H30 Eu2 N12 O42 -","2","1","","Jassal, Amanpreet Kaur; Sran, Balkaran Singh; Suffren, Yan; Bernot, Kevin; Pointillart, Fabrice; Cador, Olivier; Hundal, Geeta","Structural diversity and photo-physical and magnetic properties of dimeric to 1D polymeric coordination polymers of lighter lanthanide(iii) dinitrobenzoates.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4722","4732","10.1039/c7dt04596d","","","0.71073","MoKα","","0.1269","0.0685","","","0.1649","0.2518","","","","","","1.084","","","","has coordinates","229746","2020-10-21","18:00:00",""
"7045725","18.3763","0.001","18.3763","0.001","4.4365","0.0002","90","","90","","90","","1498.15","0.13","100","2","100","2","","","","","","","","3","P -4","P -4","81","","","","- C37 H28 N4 -","- C37 H28 N4 -","- C74 H56 N8 -","2","0.5","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0668","0.057","","","0.1371","0.1427","","","","","","1.062","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7045726","12.1045","0.0005","21.3981","0.001","20.7916","0.001","90","","90.132","0.003","90","","5385.3","0.4","100","2","100","2","","","","","","","","6","I 2/m","-I 2y","12","","","","- C56 H36 Cl2 N4 O10 Re2 -","- C56 H36 Cl2 N4 O10 Re2 -","- C224 H144 Cl8 N16 O40 Re8 -","4","","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0991","0.0515","","","0.1136","0.1244","","","","","","1.065","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7045727","12.8628","0.0005","30.2997","0.001","5.5303","0.0002","90","","90","","90","","2155.37","0.13","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","1","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0348","0.0307","","","0.0697","0.0716","","","","","","1.097","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7045728","14.5376","0.0008","14.8971","0.0008","15.5162","0.0008","109.772","0.002","110.734","0.002","101.32","0.002","2760.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H42 N4 O10 Re2 -","- C68 H42 N4 O10 Re2 -","- C136 H84 N8 O20 Re4 -","2","1","","bhol, Mamina; Shankar, Bhaskaran; Malaichamy, Sathiyendiran","Rhenium(I) based irregular pentagonal-shaped metallacavitands","Dalton Transactions","2018","","","","","10.1039/C8DT00574E","","","0.71073","MoKα","","0.0581","0.0516","","","0.1286","0.1345","","","","","","1.021","","","","has coordinates","206640","2020-10-21","18:00:00",""
"7045729","11.005","0.003","13.932","0.003","13.967","0.003","111.215","0.0018","97.79","0.002","113.087","0.0012","1737.7","0.7","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C42.5 H48 P2 -","- C42.5 H48 P2 -","- C85 H96 P4 -","2","1","","Tsurusaki, Akihiro; Ura, Rikako; Kamikawa, Ken","1,1'-Binaphthyl-substituted diphosphene: synthesis, structures, and chiral optical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4437","4441","10.1039/c8dt00441b","","","0.71075","MoKα","","0.0461","0.0378","","","0.0999","0.1054","","","","","","1.066","","","","has coordinates,has disorder","229747","2020-10-21","18:00:00",""
"7045730","9.836","0.0005","10.5827","0.0004","30.532","0.0014","90","","90","","90","","3178.1","0.2","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 P2 -","- C39 H44 P2 -","- C156 H176 P8 -","4","1","","Tsurusaki, Akihiro; Ura, Rikako; Kamikawa, Ken","1,1'-Binaphthyl-substituted diphosphene: synthesis, structures, and chiral optical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4437","4441","10.1039/c8dt00441b","","","0.71075","MoKα","","0.0322","0.0312","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","229747","2020-10-21","18:00:00",""
"7045731","7.531","0.006","8.246","0.007","10.797","0.008","84.67","0.03","89.27","0.02","63.92","0.03","599.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H8 Br2 Cd O4 Pb2 -","- C4 H8 Br2 Cd O4 Pb2 -","- C8 H16 Br4 Cd2 O8 Pb4 -","2","1","","Xiao, Hong; Zhou, Jian; Liu, Xing","Two new 3-D cadmium bromoplumbates: the only example of heterometallic bromoplumbate based on crown [Cd(Pb<sub>4</sub>O<sub>4</sub>)Br<sub>2</sub>] clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4833","4839","10.1039/c8dt00428e","","","0.71073","MoKα","","0.0444","0.0335","","","0.08","0.0855","","","","","","1.099","","","","has coordinates","229773","2020-10-21","18:00:00",""
"7045732","9.4173","0.0009","13.656","0.0011","21.909","0.002","90","","98.965","0.004","90","","2783.1","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Br6 Cd O8 Pb6 -","- C8 H16 Br6 Cd O8 Pb6 -","- C32 H64 Br24 Cd4 O32 Pb24 -","4","0.5","","Xiao, Hong; Zhou, Jian; Liu, Xing","Two new 3-D cadmium bromoplumbates: the only example of heterometallic bromoplumbate based on crown [Cd(Pb<sub>4</sub>O<sub>4</sub>)Br<sub>2</sub>] clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4833","4839","10.1039/c8dt00428e","","","0.71073","MoKα","","0.0588","0.049","","","0.1187","0.1237","","","","","","1.093","","","","has coordinates","229773","2020-10-21","18:00:00",""
"7045733","11.4097","0.0003","13.1465","0.0003","13.9513","0.0004","66.517","0.001","83.322","0.001","84.455","0.001","1903.42","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Cl2 Co N8 O4 -","- C38 H38 Cl2 Co N8 O4 -","- C76 H76 Cl4 Co2 N16 O8 -","2","1","","Kaur, Gaganpreet; Singh, Amanpreet; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Cobalt complexes of Biginelli derivatives as fluorescent probes for selective estimation and degradation of organophosphates in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5595","5606","10.1039/C8DT00150B","","","0.71073","MoKα","","0.0924","0.0492","","","0.1039","0.1148","","","","","","1.022","","","","has coordinates,has disorder","229623","2020-10-21","18:00:00",""
"7045734","10.294","0.0003","18.0946","0.0005","18.083","0.0005","90","","100.981","0.001","90","","3306.57","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Co3 I6 N8 O8 S4 -","- C46 H60 Co3 I6 N8 O8 S4 -","- C92 H120 Co6 I12 N16 O16 S8 -","2","0.5","","Kaur, Gaganpreet; Singh, Amanpreet; Singh, Ajnesh; Kaur, Navneet; Singh, Narinder","Cobalt complexes of Biginelli derivatives as fluorescent probes for selective estimation and degradation of organophosphates in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5595","5606","10.1039/C8DT00150B","","","0.71073","MoKα","","0.051","0.0389","","","0.093","0.0977","","","","","","1.016","","","","has coordinates,has disorder","229623","2020-10-21","18:00:00",""
"7045735","11.735","0.0007","4.1334","0.0002","18.8476","0.0011","90","","99.241","0.005","90","","902.35","0.09","99.95","0.18","99.95","0.18","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C4 H6 Au2 S4 -","- C4 H6 Au2 S4 -","- C16 H24 Au8 S16 -","4","0.5","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0387","0.0368","","","0.1175","0.1192","","","","","","1.11","","","","has coordinates","229740","2020-10-21","18:00:00",""
"7045736","27.431","0.003","37.714","0.004","13.8529","0.001","90","","90","","90","","14331","2","99.91","0.19","99.91","0.19","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C64 H92 Au4 S8 -","- C64 H92 Au4 S8 -","- C512 H736 Au32 S64 -","8","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.1291","0.067","","","0.1561","0.1933","","","","","","1.002","","","","has coordinates,has disorder","229740","2020-10-21","18:00:00",""
"7045737","37.2579","0.0005","9.4052","0.00012","11.2549","0.0002","90","","97.6269","0.0015","90","","3909.03","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H29 Au S2 -","- C19 H29 Au S2 -","- C152 H232 Au8 S16 -","8","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0189","0.018","","","0.0461","0.0467","","","","","","1.052","","","","has coordinates","229740","2020-10-21","18:00:00",""
"7045738","13.9729","0.0003","12.1142","0.0002","16.6245","0.0004","90","","105.056","0.002","90","","2717.44","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C32 H56 Au8 S16 -","- C32 H56 Au8 S16 -","- C64 H112 Au16 S32 -","2","0.5","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0384","0.0307","","","0.0753","0.0798","","","","","","1.012","","","","has coordinates","229740","2020-10-21","18:00:00",""
"7045739","11.5867","0.0006","14.9898","0.0009","15.6467","0.001","99.791","0.005","102.539","0.005","106.269","0.005","2468","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C94 H104 Au8 S16 -","- C94 H104 Au8 S16 -","- C94 H104 Au8 S16 -","1","0.5","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0497","0.0431","","","0.1162","0.123","","","","","","1","","","","has coordinates,has disorder","229740","2020-10-21","18:00:00",""
"7045740","13.66083","0.00016","27.3211","0.0003","29.4161","0.0003","114.063","0.0011","100.128","0.001","90.1641","0.0009","9834.6","0.2","220","0.1","220","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C100 H100 Au4 S8 -","- C100 H100 Au4 S8 -","- C400 H400 Au16 S32 -","4","2","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0796","0.0744","","","0.1917","0.1946","","","","","","1.068","","","","has coordinates","229740","2020-10-21","18:00:00",""
"7045741","12.0138","0.0003","13.2729","0.0003","18.8099","0.0004","77.025","0.002","88.924","0.002","70.271","0.002","2745.92","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H56 Au8 S16 -","- C32 H56 Au8 S16 -","- C64 H112 Au16 S32 -","2","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Diversity of aggregation motifs in gold(i) dithiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4701","4706","10.1039/c8dt00342d","","x-ray","1.54184","CuKα","","0.0597","0.0424","","","0.1033","0.1135","","","","","","1.013","","","","has coordinates,has disorder","229740","2020-10-21","18:00:00",""
"7045742","12.1078","0.0005","13.5576","0.0006","14.6711","0.0006","72.688","0.004","67.446","0.004","82.128","0.004","2122.64","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H35 Fe2 O8 P S2 -","- C46 H35 Fe2 O8 P S2 -","- C92 H70 Fe4 O16 P2 S4 -","2","1","","Pandey, Indresh Kumar; Natarajan, Mookan; Faujdar, Hemlata; Hussain, Firasat; Stein, Matthias; Kaur-Ghumaan, Sandeep","Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4941","4949","10.1039/C7DT04837H","","","0.71073","MoKα","","0.0571","0.0428","","","0.0857","0.0911","","","","","","1.07","","","","has coordinates","229759","2020-10-21","18:00:00",""
"7045743","25.545","0.004","26.67","0.004","7.3447","0.001","90","","90","","90","","5003.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H14 Fe2 O6 S2 -","- C26 H14 Fe2 O6 S2 -","- C208 H112 Fe16 O48 S16 -","8","1","","Pandey, Indresh Kumar; Natarajan, Mookan; Faujdar, Hemlata; Hussain, Firasat; Stein, Matthias; Kaur-Ghumaan, Sandeep","Intramolecular stabilization of a catalytic [FeFe]-hydrogenase mimic investigated by experiment and theory.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4941","4949","10.1039/C7DT04837H","","","0.71073","MoKα","","0.194","0.0923","","","0.1526","0.2031","","","","","","0.97","","","","has coordinates","229759","2020-10-21","18:00:00",""
"7045744","19.9959","0.0011","8.1241","0.0005","10.0188","0.0006","90","","90","","90","","1627.54","0.17","273","2","273","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H12 Cu F9 N2 O -","- C11 H12 Cu F9 N2 O -","- C44 H48 Cu4 F36 N8 O4 -","4","0.5","","Zhang, Song-Lin; Xiao, Chang; Wan, Hai-Xing","Diverse copper(iii) trifluoromethyl complexes with mono-, bi- and tridentate ligands and their versatile reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4779","4784","10.1039/c8dt00291f","","","0.71073","MoKα","","0.051","0.0442","","","0.1393","0.1435","","","","","","1.109","","","","has coordinates","229775","2020-10-21","18:00:00",""
"7045745","8.4272","0.0004","19.4683","0.0009","8.9136","0.0004","90","","90","","90","","1462.39","0.12","273","2","273","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H11 Cu F9 N -","- C11 H8 Cu F9 N -","- C44 H32 Cu4 F36 N4 -","4","0.25","","Zhang, Song-Lin; Xiao, Chang; Wan, Hai-Xing","Diverse copper(iii) trifluoromethyl complexes with mono-, bi- and tridentate ligands and their versatile reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4779","4784","10.1039/c8dt00291f","","","0.71073","MoKα","","0.0443","0.0405","","","0.1261","0.1316","","","","","","1.184","","","","has coordinates,has disorder","229775","2020-10-21","18:00:00",""
"7045746","23.5657","0.0016","13.4664","0.0009","12.537","0.0009","90","","90.732","0.002","90","","3978.2","0.5","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C37 H39 B Cl Cu F2 N5 O6 -","- C37 H39 B Cl Cu F2 N5 O6 -","- C148 H156 B4 Cl4 Cu4 F8 N20 O24 -","4","1","","Bhattacharyya, Arnab; Jameei, Aida; Garai, Aditya; Saha, Rupak; Karande, Anjali A.; Chakravarty, Akhil R.","Mitochondria-localizing BODIPY-copper(ii) conjugates for cellular imaging and photo-activated cytotoxicity forming singlet oxygen.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5019","5030","10.1039/C8DT00255J","","","0.71073","MoKα","","0.0717","0.0555","","","0.1356","0.1433","","","","","","1.01","","","","has coordinates","229774","2020-10-21","18:00:00",""
"7045747","28.212","0.006","7.6096","0.0017","14.583","0.003","90","","106.955","0.004","90","","2994.6","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N2 O3 -","- C21 H12 N2 O3 -","- C168 H96 N16 O24 -","8","1","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.1488","0.0405","","","0.0742","0.1015","","","","","","0.846","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045748","14.031","0.003","14.194","0.003","16.346","0.003","105.581","0.003","100.38","0.003","110.189","0.003","2805.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H52 Cd2 N8 O10 -","- C66 H52 Cd2 N8 O10 -","- C132 H104 Cd4 N16 O20 -","2","1","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.0936","0.052","","","0.1139","0.1337","","","","","","0.984","","","","has coordinates,has disorder","230049","2020-10-21","18:00:00",""
"7045749","11.4821","0.0009","12.9049","0.001","22.1401","0.0017","92.519","0.002","91.393","0.002","116.245","0.002","2936.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cu N4 O4 -","- C36 H24 Cu N4 O4 -","- C144 H96 Cu4 N16 O16 -","4","2","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.1567","0.0593","","","0.1184","0.1486","","","","","","0.879","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045750","13.703","0.003","9.786","0.002","20.08","0.004","90","","107.637","0.004","90","","2566.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 Cu N4 O3 -","- C31 H18 Cu N4 O3 -","- C124 H72 Cu4 N16 O12 -","4","1","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.0809","0.0372","","","0.0858","0.1014","","","","","","0.958","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045751","13.0581","0.0005","21.9334","0.0009","22.0213","0.0009","62.112","0.002","87.14","0.002","73.869","0.002","5331.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C255 H176 N32 Ni8 O33 -","- C255 H176 N32 Ni8 O33 -","- C255 H176 N32 Ni8 O33 -","1","0.5","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","1.5418","CuKα","","0.0996","0.0903","","","0.2434","0.2578","","","","","","1.049","","","","has coordinates,has disorder","230049","2020-10-21","18:00:00",""
"7045752","8.0853","0.0003","15.381","0.0004","14.5164","0.0004","90","","100.739","0.001","90","","1773.64","0.09","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C44 H28 Co2 N4 O8 -","- C44 H28 Co2 N4 O8 -","- C88 H56 Co4 N8 O16 -","2","0.5","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.0946","0.0504","","","0.1049","0.1221","","","","","","0.969","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045753","11.7724","0.0013","15.8207","0.0018","18.432","0.002","67.749","0.002","75.899","0.002","72.405","0.002","2996","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H36 Co2 N8 O6 -","- C66 H36 Co2 N8 O6 -","- C132 H72 Co4 N16 O12 -","2","1","","Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A","Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4325","4340","10.1039/c8dt00532j","","","0.71073","MoKα","","0.1019","0.0404","","","0.0866","0.1052","","","","","","0.893","","","","has coordinates","230049","2020-10-21","18:00:00",""
"7045754","14.3964","0.0004","19.4639","0.0005","23.388","0.0005","95.011","0.002","90.319","0.002","91.956","0.002","6524.5","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C122 H118 P10 Ru2 Si2 -","- C122 H118 P10 Ru2 Si2 -","- C244 H236 P20 Ru4 Si4 -","2","1","","Leech, Matthew C.; Crossley, Ian R.","Through-conjugation of two phosphaalkyne ('C[triple bond, length as m-dash]P') moieties mediated by a bimetallic scaffold.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4428","4432","10.1039/c8dt00110c","","x-ray","1.54184","CuKα","","0.0754","0.0611","","","0.1701","0.1837","","","","","","1.034","","","","has coordinates,has disorder","287940","2023-12-01","17:20:57",""
"7045755","8.3379","0.0005","11.6098","0.0006","12.2297","0.0006","111.206","0.005","98.414","0.005","100.431","0.005","1056.09","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H36 Co F12 N2 O14 S10 -","- C16 H36 Co F12 N2 O14 S10 -","- C16 H36 Co F12 N2 O14 S10 -","1","0.5","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0248","0.0224","","","0.0562","0.0573","","","","","","1.027","","","","has coordinates","229767","2020-10-21","18:00:00",""
"7045756","13.2653","0.0005","14.2526","0.0006","14.359","0.0005","92.887","0.003","100.337","0.003","107.217","0.004","2535.53","0.18","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H54 Co F12 N8 O14 S4 -","- C34 H54 Co F12 N8 O14 S4 -","- C68 H108 Co2 F24 N16 O28 S8 -","2","1","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0456","0.0386","","","0.0858","0.0909","","","","","","1.03","","","","has coordinates,has disorder","229767","2020-10-21","18:00:00",""
"7045757","11.2674","0.0006","12.6042","0.0005","19.7795","0.0008","90","","90","","90","","2809","0.2","99.98","0.1","99.98","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C10 H24 Co F12 N8 O8 S4 -","- C10 H24 Co F12 N8 O8 S4 -","- C40 H96 Co4 F48 N32 O32 S16 -","4","0.5","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0384","0.0298","","","0.0654","0.0702","","","","","","1.049","","","","has coordinates,has disorder","229767","2020-10-21","18:00:00",""
"7045758","12.8271","0.0005","8.3492","0.0003","22.0771","0.0008","90","","99.636","0.003","90","","2331.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Co F12 N8 O14 S4 -","- C34 H30 Co F12 N8 O14 S4 -","- C68 H60 Co2 F24 N16 O28 S8 -","2","0.5","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0332","0.0289","","","0.0665","0.0694","","","","","","1.062","","","","has coordinates","229767","2020-10-21","18:00:00",""
"7045759","22.1541","0.001","10.2909","0.0003","23.846","0.001","90","","116.196","0.006","90","","4878.2","0.4","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Co F12 N8 O14 S4 -","- C28 H54 Co F12 N8 O14 S4 -","- C112 H216 Co4 F48 N32 O56 S16 -","4","1","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0489","0.0376","","","0.0921","0.0991","","","","","","1.021","","","","has coordinates","229767","2020-10-21","18:00:00",""
"7045760","18.329","0.0002","23.105","0.0003","23.1472","0.0003","90","","94.9636","0.0011","90","","9765.9","0.2","99.97","0.11","99.97","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.25 H29.75 Co F12 N8 O8 S4 -","- C45.25 H29.75 Co F12 N8 O8 S4 -","- C362 H238 Co8 F96 N64 O64 S32 -","8","2","","Sniekers, Jeroen; Geysens, Pieter; Vander Hoogerstraete, Tom; Van Meervelt, Luc; Fransaer, Jan; Binnemans, Koen","Cobalt(ii) liquid metal salts for high current density electrodeposition of cobalt.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4975","4986","10.1039/C8DT00283E","","","0.71073","MoKα","","0.0644","0.0484","","","0.1162","0.1268","","","","","","1.039","","","","has coordinates","229767","2020-10-21","18:00:00",""
"7045761","10.8271","0.0005","14.8273","0.0007","16.3","0.0008","90","","95.757","0.002","90","","2603.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N10 O9 Tb -","- C18 H25 N10 O9 Tb -","- C72 H100 N40 O36 Tb4 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.0292","0.0223","","","0.0537","0.0555","","","","","","1.057","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7045762","9.4983","0.0003","16.2661","0.0004","17.1262","0.0005","90","","94.314","0.001","90","","2638.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl3 Dy N8 -","- C20 H28 Cl3 Dy N8 -","- C80 H112 Cl12 Dy4 N32 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.029","0.0251","","","0.0587","0.0602","","","","","","1.042","","","","has coordinates","229859","2020-10-21","18:00:00",""
"7045763","10.8339","0.0003","14.8275","0.0004","16.3088","0.0005","90","","95.881","0.001","90","","2606.05","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Dy N10 O9 -","- C18 H25 Dy N10 O9 -","- C72 H100 Dy4 N40 O36 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.0195","0.0161","","","0.0374","0.0385","","","","","","1.021","","","","has coordinates","229859","2020-10-21","18:00:00",""
"7045764","9.5146","0.0006","16.2693","0.001","17.1333","0.0011","90","","94.245","0.003","90","","2644.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl3 N8 Tb -","- C20 H28 Cl3 N8 Tb -","- C80 H112 Cl12 N32 Tb4 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.0405","0.0374","","","0.0922","0.0932","","","","","","1.044","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7045765","10.8169","0.0003","14.8226","0.0005","16.2864","0.0005","90","","96.0506","0.0011","90","","2596.73","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Er N10 O9 -","- C18 H25 Er N10 O9 -","- C72 H100 Er4 N40 O36 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.0148","0.0137","","","0.0346","0.035","","","","","","1.058","","","","has coordinates","229859","2020-10-21","18:00:00",""
"7045766","9.4683","0.0003","16.2801","0.0005","17.1285","0.0005","90","","94.469","0.001","90","","2632.24","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl3 Er N8 -","- C20 H28 Cl3 Er N8 -","- C80 H112 Cl12 Er4 N32 -","4","1","","Long, Jérôme; Lyubov, Dimitry M.; Mahrova, Tatyana V.; Cherkasov, Anton V.; Fukin, Georgy K.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Synthesis, structure and magnetic properties of tris(pyrazolyl)methane lanthanide complexes: effect of the anion on the slow relaxation of magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5153","5156","10.1039/C8DT00458G","","","0.71073","MoKα","","0.035","0.0313","","","0.0822","0.0832","","","","","","1.087","","","","has coordinates","229859","2020-10-21","18:00:00",""
"7045767","4.6196","0.0019","15.186","0.006","4.4257","0.0018","90","","92.045","0.004","90","","310.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B Ba F3 O -","- B Ba F3 O -","- B4 Ba4 F12 O4 -","4","1","","Jiang, Dequan; Wang, Ying; Li, Hao; Yang, Zhihua; Pan, Shilie","BaBOF<sub>3</sub>: a new aurivillius-like borate containing two types of F atoms.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5157","5160","10.1039/C8DT00403J","","","0.71073","MoKα","","0.0352","0.0264","","","0.0608","0.0657","","","","","","0.997","","","","has coordinates","229852","2020-10-21","18:00:00",""
"7045769","30.1254","0.0009","30.1254","0.0009","30.1254","0.0009","90","","90","","90","","27340","1.4","296","2","296","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C156 H168 Cd4 Mo36 N48 O132 P3 -","- C156 H168 Cd4 Mo36 N48 O132 P3 -","- C624 H672 Cd16 Mo144 N192 O528 P12 -","4","0.0833333","","Liu, Min; Yang, Xu-Feng; Zhu, Hai-Bin; Di, Bao-Sheng; Zhao, Yue","A robust polyoxometalate-templated four-fold interpenetrating metal-organic framework showing efficient organic dye photodegradation in various pH aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5245","5251","10.1039/C8DT00366A","","","0.71073","MoKα","","0.0703","0.0508","","","0.144","0.1708","","","","","","1.238","","","","has coordinates","229860","2020-10-21","18:00:00",""
"7045770","31.289","0.004","31.289","0.004","31.289","0.004","90","","90","","90","","30632","7","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C58 H72 N14 O22 Zn3 -","- C36 H12 N6 O18 Zn3 -","- C432 H144 N72 O216 Zn36 -","12","0.125","","Sun, Qiushi; Yao, Shuo; Liu, Bing; Liu, Xinyao; Li, Guanghua; Liu, Xiaoyang; Liu, Yunling","A novel polyhedron-based metal-organic framework with high performance for gas uptake and light hydrocarbon separation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5005","5010","10.1039/C7DT04622G","","","0.71073","MoKα","","0.0808","0.0598","","","0.1591","0.1712","","","","","","1.068","","","","has coordinates,has disorder","229761","2020-10-21","18:00:00",""
"7045771","9.4397","0.0014","10.9574","0.0017","15.288","0.002","97.779","0.002","104.651","0.002","91.253","0.002","1513.2","0.4","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C64 H50 Cl2 Cu2 N10 O14 P2 -","- C64 H50 Cl2 Cu2 N10 O14 P2 -","- C64 H50 Cl2 Cu2 N10 O14 P2 -","1","1","","Shi, Xiangchao; Chen, Zhongyan; Wang, Yanjun; Guo, Zijian; Wang, Xiaoyong","Hypotoxic copper complexes with potent anti-metastatic and anti-angiogenic activities against cancer cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5049","5054","10.1039/C8DT00794B","","","0.71073","MoKα","","0.0656","0.0509","","","0.1399","0.1625","","","","","","1.079","","","","has coordinates","229772","2020-10-21","18:00:00",""
"7045772","23.9844","0.0031","17.8044","0.002","13.8845","0.0023","90","","104.018","0.0071","90","","5752.5","1.4","163.15","","163.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H29 Cl F6 N3 O0.5 P Rh -","- C28.5 H29 Cl F6 N3 O0.5 P Rh -","- C228 H232 Cl8 F48 N24 O4 P8 Rh8 -","8","1","","Kobayashi, Katsuaki; Koizumi, Take-Aki; Ghosh, Debashis; Kajiwara, Takashi; Kitagawa, Susumu; Tanaka, Koji","Electrochemical behavior of a Rh(pentamethylcyclopentadienyl) complex bearing an NAD<sup>+</sup>/NADH-functionalized ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5207","5216","10.1039/c7dt04594h","","","0.71075","MoKα","","0.0453","0.0379","","","0.0887","0.0937","","","","","","1.082","","","","has coordinates,has disorder","229856","2020-10-21","18:00:00",""
"7045773","13.4222","0.0026","14.4974","0.0026","14.0871","0.0026","90","0.0007","96.3341","0.0008","90","0.0007","2724.4","0.9","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl2 N3 O2 Rh -","- C29 H34 Cl2 N3 O2 Rh -","- C116 H136 Cl8 N12 O8 Rh4 -","4","1","","Kobayashi, Katsuaki; Koizumi, Take-Aki; Ghosh, Debashis; Kajiwara, Takashi; Kitagawa, Susumu; Tanaka, Koji","Electrochemical behavior of a Rh(pentamethylcyclopentadienyl) complex bearing an NAD<sup>+</sup>/NADH-functionalized ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5207","5216","10.1039/c7dt04594h","","","0.7107","MoKα","","0.0479","0.0467","","","0.1133","0.114","","","","","","1.115","","","","has coordinates,has disorder","229856","2020-10-21","18:00:00",""
"7045774","15.3667","0.0009","15.6328","0.0009","15.7002","0.0009","67.7639","0.0017","67.4261","0.0019","73.0486","0.0018","3176.1","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H46 N4 O10 -","- C55 H46 N4 O10 -","- C110 H92 N8 O20 -","2","1","","Wang, Guo; Hu, Wei-Bo; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Engineering a pillar[5]arene-based supramolecular organic framework by a co-crystallization method.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5144","5148","10.1039/C8DT00566D","","","0.71073","MoKα","","0.1016","0.0571","","","0.1464","0.1686","","","","","","1.016","","","","has coordinates,has disorder","229849","2020-10-21","18:00:00",""
"7045775","8.1562","0.0004","11.3461","0.0005","20.3012","0.0008","86.491","0.003","88.276","0.003","75.154","0.003","1812.37","0.14","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H16 Cl2 Co F12 N6 O4 -","- C35 H16 Cl2 Co F12 N6 O4 -","- C70 H32 Cl4 Co2 F24 N12 O8 -","2","1","","Lemes, Maykon A.; Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn","Impact of nuclearity and topology on the single molecule magnet behaviour of hexaazatrinaphtylene-based cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4678","4684","10.1039/c8dt00324f","","","0.71073","MoKα","","0.1498","0.0602","","","0.1146","0.1462","","","","","","1.004","","","","has coordinates,has disorder","229739","2020-10-21","18:00:00",""
"7045776","18.2906","0.0007","9.6629","0.0004","31.6337","0.0013","90","","97.589","0.001","90","","5542","0.4","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H24 Co2 F24 N6 O8 -","- C51 H24 Co2 F24 N6 O8 -","- C204 H96 Co8 F96 N24 O32 -","4","1","","Lemes, Maykon A.; Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn","Impact of nuclearity and topology on the single molecule magnet behaviour of hexaazatrinaphtylene-based cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4678","4684","10.1039/c8dt00324f","","","0.71073","MoKα","","0.0657","0.0428","","","0.1013","0.1135","","","","","","1.017","","","","has coordinates,has disorder","229739","2020-10-21","18:00:00",""
"7045777","10.9755","0.001","19.9924","0.0018","24.106","0.002","90","","99.867","0.003","90","","5211.3","0.8","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Cl2 F10 Ir N4 P -","- C58 H48 Cl2 F10 Ir N4 P -","- C232 H192 Cl8 F40 Ir4 N16 P4 -","4","1","","Hierlinger, Claus; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli","Phosphorescent cationic iridium(iii) complexes bearing a nonconjugated six-membered chelating ancillary ligand: a strategy for tuning the emission towards the blue.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10569","10577","10.1039/c8dt00467f","","","0.71075","MoKα","","0.0557","0.036","","","0.0707","0.0793","","","","","","1.041","","","","has coordinates","229839","2020-10-21","18:00:00",""
"7045778","6.5369","0.0004","7.0071","0.0003","12.2187","0.0007","90","","100.72","0.005","90","","549.91","0.05","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(5R,7R)-6,6-dimethyl-5,6,7,8-tetrahydro-5,7-methanoquinoline-2-carbaldehyde","","- C13 H15 N O -","- C13 H15 N O -","- C26 H30 N2 O2 -","2","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.0334","0.0317","","","0.0875","0.0891","","","","","","1.062","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045779","10.2955","0.0005","12.354","0.001","16.2973","0.0009","90","","90","","90","","2072.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoisoquinolin-3-yl)-2,4-diisopropyl-1,2,4,5-tetrazinan-3-one","","- C20 H31 N5 O -","- C20 H31 N5 O -","- C80 H124 N20 O4 -","4","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.1506","0.0673","","","0.153","0.1939","","","","","","1.015","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045780","13.0978","0.0009","11.0063","0.0007","16.8554","0.0014","90","","105.955","0.006","90","","2336.2","0.3","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl2 Cu N5 O -","- C20 H28 Cl2 Cu N5 O -","- C80 H112 Cl8 Cu4 N20 O4 -","4","2","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.2226","0.0759","","","0.1514","0.2174","","","","","","0.913","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045781","7.5168","0.0004","7.5168","0.0004","39.316","0.002","90","","90","","90","","2221.4","0.2","200","2","200","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(6R,8R)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoisoquinoline-3-carbaldehyde","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.0797","0.0507","","","0.1283","0.1564","","","","","","1.384","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045782","11.5257","0.0009","16.4734","0.0013","14.0859","0.0012","90","","110.919","0.002","90","","2498.2","0.4","100","2","100","2","","","","","","","","10","P 1 21/m 1","-P 2yb","11","","","","- C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd -","- C56 H43 B Cl0.86 F2 I0.14 N2 O P2 Pd -","- C112 H86 B2 Cl1.72 F4 I0.28 N4 O2 P4 Pd2 -","2","0.5","","Hussein, B. A.; Huynh, J. T.; Prieto, P. L.; Barran, C. P.; Arnold, A. E.; Sarycheva, O. V.; Lough, A. J.; Koivisto, B. D.","Molecular lemmings: strategies to avoid when designing BODIPY ferrocene dyads for dye-sensitized solar cell applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4916","4920","10.1039/C8DT00174J","","","0.71073","MoKα","","0.128","0.0624","","","0.1225","0.1404","","","","","","1.124","","","","has coordinates,has disorder","229776","2020-10-21","18:00:00",""
"7045783","5.4161","0.0005","8.482","0.0009","10.2407","0.001","98.482","0.005","91.994","0.005","102.79","0.005","452.65","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ZrCPON","","","- C6 N2 O12 P4 Zr -","- C6 N2 O12 P4 Zr -","- C6 N2 O12 P4 Zr -","1","0.5","","Zhang, Jiarong; Chen, Lanhua; Gui, Daxiang; Zhang, Haowen; Zhang, Duo; Liu, Wei; Huang, Guolin; Diwu, Juan; Chai, Zhifang; Wang, Shuao","An ingenious one-dimensional zirconium phosphonate with efficient strontium exchange capability and moderate proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5161","5165","10.1039/C8DT00508G","","","0.71073","MoKα","","0.0519","0.0395","","","0.1321","0.1464","","","","","","1.133","","","","has coordinates","229850","2020-10-21","18:00:00",""
"7045784","16.777","","16.777","","39.34","","90","","90","","90","","11072.9","","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C28 H50 Mo4 N4 O29 Re4 -","- C28 H48 Mo4 N4 O29 Re4 -","- C224 H384 Mo32 N32 O232 Re32 -","8","0.25","","Lu, Jingkun; Ma, Xinyi; Singh, Vikram; Zhang, Yujiao; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","An isotetramolybdate-supported rhenium carbonyl derivative: synthesis, characterization, and use as a catalyst for sulfoxidation.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5279","5285","10.1039/C8DT00429C","","","0.71073","MoKα","","0.0581","0.0437","","","0.1302","0.1387","","","","","","1.036","","","","has coordinates","229853","2020-10-21","18:00:00",""
"7045785","23.6662","0.0016","16.5457","0.0011","12.7144","0.0009","90","","101.398","0.005","90","","4880.4","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 O2 S -","- C10 H12 N4 O2 S -","- C160 H192 N64 O32 S16 -","16","2","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.0976","0.0509","","","0.1324","0.1601","","","","","","1.031","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045786","27.826","0.003","7.8808","0.0007","17.1929","0.0015","90","","118.58","0.007","90","","3310.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 N10 Ni O6 S2 -","- C26 H36 N10 Ni O6 S2 -","- C104 H144 N40 Ni4 O24 S8 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.1069","0.0515","","","0.0697","0.0776","","","","","","1.092","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045787","14.313","0.002","15.265","0.002","16.704","0.003","90","","110.042","0.01","90","","3428.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N8 Ni O4 S2 -","- C28 H42 N8 Ni O4 S2 -","- C112 H168 N32 Ni4 O16 S8 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.1047","0.0489","","","0.1041","0.1226","","","","","","1.004","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045788","7.8976","0.0008","11.1979","0.0011","17.2554","0.0016","98.13","0.008","92.775","0.008","91.666","0.008","1507.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H35 N7 O3 S2 Zn -","- C25 H35 N7 O3 S2 Zn -","- C50 H70 N14 O6 S4 Zn2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.1739","0.0687","","","0.0814","0.1141","","","","","","1.016","","","","has coordinates","288256","2023-12-12","15:52:17",""
"7045789","14.662","0.003","7.5742","0.0016","13.561","0.003","90","","116.781","0.007","90","","1344.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.0674","0.047","","","0.1228","0.1415","","","","","","1.037","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045790","28.1709","0.0013","7.8227","0.0004","17.0447","0.0008","90","","118.54","0.003","90","","3299.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cu N10 O6 S2 -","- C26 H36 Cu N10 O6 S2 -","- C104 H144 Cu4 N40 O24 S8 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.0872","0.0462","","","0.1085","0.127","","","","","","1.046","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045791","17.011","0.0007","7.4545","0.0003","26.895","0.0015","90","","100.247","0.004","90","","3356.1","0.3","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H36 N10 O6 S2 Zn -","- C26 H36 N10 O6 S2 Zn -","- C104 H144 N40 O24 S8 Zn4 -","4","0.5","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.044","0.0342","","","0.1067","0.1148","","","","","","1.058","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045792","9.3214","0.0013","11.3148","0.0016","12.786","0.0016","78.642","0.009","69.657","0.009","75.86","0.009","1216.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C44 H60 N12 O4 S4 -","4","2","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.0596","0.0428","","","0.1084","0.1243","","","","","","1.063","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045793","5.9381","0.0005","6.2676","0.0006","17.4543","0.0017","99.804","0.008","91.409","0.007","109.424","0.008","601.38","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N3 O S -","- C11 H13 N3 O S -","- C22 H26 N6 O2 S2 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Four-coordinated see-saw N-(aryl)-2-(propan-2-ylidene)hydrazinecarbothioamide complexes of nickel(ii), copper(ii) and zinc(ii) and their propensity for catalytic cyclisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4921","4930","10.1039/C8DT00453F","","","0.71073","MoKα","","0.0655","0.0456","","","0.126","0.1489","","","","","","1.023","","","","has coordinates","229764","2020-10-21","18:00:00",""
"7045794","17.8516","0.0018","13.4971","0.0014","19.508","0.002","90","","112.457","0.002","90","","4343.9","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H62 Cl4 Ge2 N4 Pt -","- C37 H62 Cl4 Ge2 N4 Pt -","- C148 H248 Cl16 Ge8 N16 Pt4 -","4","1","","Sharma, Mahendra Kumar; Singh, Dharmendra; Mahawar, Pritam; Yadav, Ravi; Nagendran, Selvarajan","Catalytic cyanosilylation using germylene stabilized platinum(ii) dicyanide.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5943","5947","10.1039/C8DT00043C","","","0.71073","MoKα","","0.0433","0.0328","","","0.0775","0.0928","","","","","","1.074","","","","has coordinates","229551","2020-10-21","18:00:00",""
"7045795","17.51","0.002","13.7732","0.0018","20.114","0.003","90","","113.278","0.002","90","","4456","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Ge2 N10 O Pt -","- C40 H68 Ge2 N10 O Pt -","- C160 H272 Ge8 N40 O4 Pt4 -","4","1","","Sharma, Mahendra Kumar; Singh, Dharmendra; Mahawar, Pritam; Yadav, Ravi; Nagendran, Selvarajan","Catalytic cyanosilylation using germylene stabilized platinum(ii) dicyanide.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5943","5947","10.1039/C8DT00043C","","","0.71073","MoKα","","0.0694","0.049","","","0.0919","0.0992","","","","","","1.051","","","","has coordinates","229551","2020-10-21","18:00:00",""
"7045796","10.799","0.002","17.921","0.003","22.042","0.004","90","","91.711","0.004","90","","4263.9","1.3","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C74 H120 Cl2 F6 Ge4 N8 O6 Pt2 S2 -","- C74 H120 Cl2 F6 Ge4 N8 O6 Pt2 S2 -","- C148 H240 Cl4 F12 Ge8 N16 O12 Pt4 S4 -","2","0.5","","Sharma, Mahendra Kumar; Singh, Dharmendra; Mahawar, Pritam; Yadav, Ravi; Nagendran, Selvarajan","Catalytic cyanosilylation using germylene stabilized platinum(ii) dicyanide.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5943","5947","10.1039/C8DT00043C","","","0.71073","MoKα","","0.0867","0.0522","","","0.1069","0.1271","","","","","","0.983","","","","has coordinates","229551","2020-10-21","18:00:00",""
"7045797","14.3","0.004","17.928","0.004","20.47","0.005","90","","105.098","0.005","90","","5067","2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Cl F3 Ge2 N6 O3 Pt S -","- C44 H70 Cl F3 Ge2 N6 O3 Pt S -","- C176 H280 Cl4 F12 Ge8 N24 O12 Pt4 S4 -","4","1","","Sharma, Mahendra Kumar; Singh, Dharmendra; Mahawar, Pritam; Yadav, Ravi; Nagendran, Selvarajan","Catalytic cyanosilylation using germylene stabilized platinum(ii) dicyanide.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5943","5947","10.1039/C8DT00043C","","","0.71073","MoKα","","0.0859","0.0576","","","0.1332","0.1516","","","","","","1.034","","","","has coordinates","229551","2020-10-21","18:00:00",""
"7045798","11.9108","0.0016","12.3525","0.0016","17.527","0.002","72.036","0.002","80.201","0.002","75.546","0.003","2363.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H60 Ge2 N6 Pt -","- C38 H60 Ge2 N6 Pt -","- C76 H120 Ge4 N12 Pt2 -","2","1","","Sharma, Mahendra Kumar; Singh, Dharmendra; Mahawar, Pritam; Yadav, Ravi; Nagendran, Selvarajan","Catalytic cyanosilylation using germylene stabilized platinum(ii) dicyanide.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5943","5947","10.1039/C8DT00043C","","","0.71073","MoKα","","0.0798","0.0608","","","0.126","0.1327","","","","","","1.074","","","","has coordinates","229551","2020-10-21","18:00:00",""
"7045799","16.861","0.003","15.985","0.003","6.186","0.001","90","","90","","90","","1667.3","0.5","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H27 Au B2 Cl N -","- C12 H27 Au B2 Cl N -","- C48 H108 Au4 B8 Cl4 N4 -","4","0.5","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0311","0.0255","","","0.0536","0.0554","","","","","","1.102","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045800","14.701","0.009","11.511","0.009","12.33","0.009","90","","90","","90","","2087","3","173","2","173","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C15 H36 Au B2 Cl N P -","- C15 H36 Au B2 Cl N P -","- C60 H144 Au4 B8 Cl4 N4 P4 -","4","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.035","0.0312","","","0.0739","0.0762","","","","","","1.085","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045801","15.7867","0.0013","8.9815","0.0007","16.7502","0.0013","90","","93.856","0.001","90","","2369.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H37 Au B2 Cl N3 -","- C19 H37 Au B2 Cl N3 -","- C76 H148 Au4 B8 Cl4 N12 -","4","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0182","0.0161","","","0.0388","0.04","","","","","","1.055","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045802","24.12","0.002","11.1958","0.001","25.776","0.002","90","","90","","90","","6960.6","1","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35 H51 Au B2 Cl N2 P -","- C35 H51 Au B2 Cl N2 P -","- C280 H408 Au8 B16 Cl8 N16 P8 -","8","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0614","0.0415","","","0.0888","0.0949","","","","","","1.113","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045803","8.9905","0.0008","9.4769","0.0008","20.3831","0.0017","82.518","0.001","85.78","0.001","62.071","0.001","1521.2","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 Au B2 Cl N P -","- C30 H42 Au B2 Cl N P -","- C60 H84 Au2 B4 Cl2 N2 P2 -","2","1","","Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke","Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5181","5188","10.1039/c8dt00697k","","","0.71073","MoKα","","0.0366","0.0285","","","0.0568","0.0591","","","","","","1.01","","","","has coordinates","229857","2020-10-21","18:00:00",""
"7045804","13.6301","0.0006","15.165","0.0007","18.094","0.0008","70.727","0.007","74.218","0.008","65.031","0.01","3161.8","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C76 Cl30 -","- C76 Cl30 -","- C152 Cl60 -","2","1","","Sudarkova, S. M.; Mazaleva, O. N.; Konoplev-Esgenburg, R A; Troyanov, S. I.; Ioffe, I. N.","Versatility of chlorination-promoted skeletal transformation pathways in C<sub>76</sub> fullerene.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4554","4559","10.1039/c8dt00245b","","","0.84344","synchrotron","","0.0341","0.0334","","","0.086","0.0865","","","","","","1.003","","","","has coordinates","229749","2020-10-21","18:00:00",""
"7045805","9.5182","0.0002","13.6548","0.0002","13.9233","0.0002","104.635","0.001","106.665","0.0009","101.574","0.0009","1602.89","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H56 N6 Sn -","- C30 H56 N6 Sn -","- C60 H112 N12 Sn2 -","2","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0235","0.0214","","","0.0534","0.0548","","","","","","1.059","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045806","12.6165","0.0002","31.8601","0.0006","12.9872","0.0002","90","","96.5982","0.0012","90","","5185.8","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H80 N6 Sn -","- C54 H80 N6 Sn -","- C216 H320 N24 Sn4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.088","0.0532","","","0.1081","0.1185","","","","","","1.132","","","","has coordinates,has disorder","206829","2020-10-21","18:00:00",""
"7045807","10.4359","0.0007","40.547","0.003","10.821","0.0008","90","","95.862","0.004","90","","4554.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C81 H136 N12 S10.62 Sn2 -","- C81 H136 N12 S10.624 Sn2 -","- C162 H272 N24 S21.248 Sn4 -","2","0.5","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.1559","0.0926","","","0.1742","0.1965","","","","","","1.146","","","","has coordinates,has disorder","206829","2020-10-21","18:00:00",""
"7045808","14.6986","0.0003","9.269","0.0002","18.3539","0.0004","90","","97.487","0.001","90","","2479.24","0.09","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H40 N6 Sn Te -","- C18 H40 N6 Sn Te -","- C72 H160 N24 Sn4 Te4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0479","0.0346","","","0.0801","0.0866","","","","","","1.066","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7045809","13.9408","0.0001","23.6098","0.0003","15.9826","0.0002","90","","109.35","0.0006","90","","4963.34","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 N12 Se2 Sn2 -","- C36 H80 N12 Se2 Sn2 -","- C144 H320 N48 Se8 Sn8 -","4","0.5","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0292","0.0262","","","0.0609","0.062","","","","","","1.146","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045810","11.692","0.0002","18.731","0.0004","19.37","0.0003","90","","102.213","0.001","90","","4146.08","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H64 N6 O Se4 Sn -","- C34 H64 N6 O Se4 Sn -","- C136 H256 N24 O4 Se16 Sn4 -","4","0.5","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.039","0.0292","","","0.0663","0.0704","","","","","","1.043","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045811","12.2727","0.0003","27.0616","0.0007","12.3569","0.0003","90","","103.891","0.001","90","","3983.95","0.17","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H64 N6 Sn Te -","- C37 H64 N6 Sn Te -","- C148 H256 N24 Sn4 Te4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0456","0.036","","","0.0859","0.0908","","","","","","1.254","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7045812","17.201","0.0003","8.6635","0.0001","23.765","0.0003","90","","99.8642","0.0009","90","","3489.13","0.09","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H30 N4 Sn -","- C13 H30 N4 Sn -","- C104 H240 N32 Sn8 -","8","2","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0468","0.0315","","","0.0669","0.0735","","","","","","1.064","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045813","12.2422","0.0003","26.8816","0.0003","12.4038","0.0006","90","","103.179","0.001","90","","3974.5","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H56 N6 Se Sn -","- C30 H56 N6 Se Sn -","- C120 H224 N24 Se4 Sn4 -","4","1","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0645","0.0552","","","0.1568","0.1658","","","","","","1.099","","","","has coordinates","206829","2020-10-21","18:00:00",""
"7045814","34.018","0.0006","10.617","0.0002","43.782","0.0008","90","","106.411","0.0007","90","","15168.5","0.5","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H58.33 N6 S4 Sn -","- C30.9999 H58.3331 N6 S4 Sn -","- C495.998 H933.33 N96 S64 Sn16 -","16","2","","Johnson, Andrew Lee; Ahmet, Ibrahim Y.; Hill, Michael S.; Raithby, Paul R.","Tin Guanidinato Complexes: Oxidative Control of Sn, SnS, SnSe and SnTe Thin Film Deposition","Dalton Transactions","2018","","","","","10.1039/C8DT00773J","","","0.71073","MoKα","","0.0686","0.0449","","","0.1306","0.1546","","","","","","0.924","","","","has coordinates,has disorder","206829","2020-10-21","18:00:00",""
"7045815","8.3916","0.0003","16.1829","0.0006","9.2225","0.0003","90","","111.361","0.0004","90","","1166.38","0.07","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(C5Me5)2Y(THF)NH2","","- C24 H40 N O Y -","- C24 H40 N O Y -","- C48 H80 N2 O2 Y2 -","2","1","","Boshart, Monica D.; Ziller, Joseph W.; Evans, William J.","NH<sub>3</sub> and (NH<sub>2</sub>)<sup>1-</sup> as ligands in yttrium metallocene chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5098","5101","10.1039/C8DT00543E","","","0.71073","MoKα","","0.023","0.0212","","","0.051","0.0517","","","","","","1.05","","","","has coordinates","229766","2020-10-21","18:00:00",""
"7045816","11.7992","0.0009","22.579","0.0018","15.3847","0.0012","90","","91.7762","0.001","90","","4096.7","0.6","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(C5Me5)2Y(THF)NH3][BPh4]","","- C48 H61 B N O Y -","- C48 H61 B N O Y -","- C192 H244 B4 N4 O4 Y4 -","4","1","","Boshart, Monica D.; Ziller, Joseph W.; Evans, William J.","NH<sub>3</sub> and (NH<sub>2</sub>)<sup>1-</sup> as ligands in yttrium metallocene chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5098","5101","10.1039/C8DT00543E","","","0.71073","MoKα","","0.0419","0.0336","","","0.0852","0.0894","","","","","","1.027","","","","has coordinates","229766","2020-10-21","18:00:00",""
"7045817","16.177","0.005","16.177","0.005","8.509","0.003","90","","90","","120","","1928.4","1.1","200","2","200","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C22 H34 Cu N7 O2 -","- C22 H34 Cu N7 O2.0001 -","- C66 H102 Cu3 N21 O6.0003 -","3","0.166667","","Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5335","5341","10.1039/c7dt03843g","","","0.71073","MoKα","","0.0301","0.0274","","","0.0657","0.0669","","","","","","1.065","","","","has coordinates","229855","2020-10-21","18:00:00",""
"7045818","13.1118","0.0003","13.2532","0.0004","18.1725","0.0006","96.007","0.001","98.317","0.001","107.554","0.002","2942.15","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H64 B Cu N8 O2 P2 -","- C57 H64 B Cu N8 O2 P2 -","- C114 H128 B2 Cu2 N16 O4 P4 -","2","1","","Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.","Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5335","5341","10.1039/c7dt03843g","","","0.71073","MoKα","","0.1019","0.0638","","","0.1537","0.1674","","","","","","1.181","","","","has coordinates","229855","2020-10-21","18:00:00",""
"7045819","8.1238","0.0005","8.7699","0.0005","10.6962","0.0006","78.201","0.005","72.412","0.005","66.904","0.005","664.99","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl4 Cu2 N4 -","- C26 H24 Cl4 Cu2 N4 -","- C26 H24 Cl4 Cu2 N4 -","1","0.5","","Grau, Jordi; Renau, Cristina; Caballero, Ana B.; Caubet, Amparo; Pockaj, Marta; Lorenzo, Julia; Gamez, Patrick","Evaluation of the metal-dependent cytotoxic behaviour of coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4902","4908","10.1039/C7DT04604A","","","0.71073","MoKα","","0.0336","0.0277","","","0.062","0.0659","","","","","","1.07","","","","has coordinates","229771","2020-10-21","18:00:00",""
"7045820","9.4766","0.0004","14.5595","0.0007","16.107","0.0007","90","","91.54","0.003","90","","2221.55","0.17","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Br2 Hg N -","- C20 H31 Br2 Hg N -","- C80 H124 Br8 Hg4 N4 -","4","1","","Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay","Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6274","6278","10.1039/C7DT04589A","","","0.71073","MoKα","","0.0796","0.0451","","","0.0886","0.0996","","","","","","0.96","","","","has coordinates","229874","2020-10-21","18:00:00",""
"7045821","21.355","0.003","10.4818","0.0008","20.973","0.002","90","","106.496","0.004","90","","4501.3","0.8","180","0.2","180","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 Hg0.5 N2 O3.5 -","- C23 H36 Hg0.5 N2 O3.5 -","- C184 H288 Hg4 N16 O28 -","8","1","","Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay","Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6274","6278","10.1039/C7DT04589A","","","0.71075","MoKα","","0.0429","0.036","","","0.0792","0.0845","","","","","","1.081","","","","has coordinates","229874","2020-10-21","18:00:00",""
"7045822","14.5606","0.0012","11.7853","0.0008","15.6669","0.0013","90","","104.559","0.003","90","","2602.1","0.4","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Cl3 Hg N -","- C23 H36 Cl3 Hg N -","- C92 H144 Cl12 Hg4 N4 -","4","1","","Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay","Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6274","6278","10.1039/C7DT04589A","","","0.71075","MoKα","","0.064","0.0476","","","0.1236","0.1377","","","","","","1.059","","","","has coordinates","229874","2020-10-21","18:00:00",""
"7045823","9.6074","0.0007","16.5076","0.0013","15.0341","0.0014","90","","95.868","0.004","90","","2371.8","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cl3 Hg N -","- C20 H32 Cl3 Hg N -","- C80 H128 Cl12 Hg4 N4 -","4","1","","Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay","Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6274","6278","10.1039/C7DT04589A","","","0.71075","MoKα","","0.05","0.0369","","","0.0877","0.0961","","","","","","1.065","","","","has coordinates","229874","2020-10-21","18:00:00",""
"7045824","14.014","0.0008","9.578","0.0006","18.4054","0.0012","90","","97.958","0.003","90","","2446.7","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Br2 Hg N -","- C23 H35 Br2 Hg N -","- C92 H140 Br8 Hg4 N4 -","4","1","","Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay","Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6274","6278","10.1039/C7DT04589A","","","0.71075","MoKα","","0.0371","0.0299","","","0.0724","0.0769","","","","","","1.027","","","","has coordinates,has disorder","229874","2020-10-21","18:00:00",""
"7045825","10.6875","0.0011","22.259","0.002","25.861","0.003","90","","90.648","0.004","90","","6151.8","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[((2-κN)-1H-Indazole)(1-benzyl-4-(2'-κC)-phenyl-1,2,3-(3-κN)-triazolato)(η6-p-cymene)ruthenium(II)] nitrate","","- C64 H66 N12 O7 Ru2 -","- C64 H66 N12 O7 Ru2 -","- C256 H264 N48 O28 Ru8 -","4","1","","Riedl, Christoph A.; Hejl, Michaela; Klose, Matthias H. M.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","N- and S-donor leaving groups in triazole-based ruthena(ii)cycles: potent anticancer activity, selective activation, and mode of action studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4625","4638","10.1039/c8dt00449h","","x-ray","0.71073","MoKα","","0.0791","0.0563","","","0.1492","0.1627","","","","","","1.042","","","","has coordinates,has disorder","229758","2020-10-21","18:00:00",""
"7045826","9.8204","0.0005","11.5773","0.0006","15.0588","0.0009","98.178","0.002","107.253","0.002","113.792","0.002","1427.33","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","[(\?S-(Methylsulfanyl)methane)(1-benzyl-4-(2'-\?C)-phenyl-1,2,3-(3-\?N)-triazolato)(\?6-p-cymene)ruthenium(II)] nitrate","","- C27 H32 N4 O3 Ru S -","- C27 H32 N4 O3 Ru S -","- C54 H64 N8 O6 Ru2 S2 -","2","1","","Riedl, Christoph A.; Hejl, Michaela; Klose, Matthias H. M.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","N- and S-donor leaving groups in triazole-based ruthena(ii)cycles: potent anticancer activity, selective activation, and mode of action studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4625","4638","10.1039/c8dt00449h","","x-ray","0.71073","MoKα","","0.0338","0.0319","","","0.0851","0.0865","","","","","","1.09","","","","has coordinates,has disorder","229758","2020-10-21","18:00:00",""
"7045827","12.0373","0.0008","13.4469","0.0008","20.7463","0.0015","95.649","0.002","95.099","0.003","98.748","0.002","3284.4","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","[(κN-1,3-Benzothiazole)(1-benzyl-4-(2'-κC)-phenyl-1,2,3-(3-κN)-triazolato)(η6-p-cymene)ruthenium(II)] nitrate","","- C33 H34 Cl2 N5 O3.5 Ru S -","- C33 H34 Cl2 N5 O3.5 Ru S -","- C132 H136 Cl8 N20 O14 Ru4 S4 -","4","2","","Riedl, Christoph A.; Hejl, Michaela; Klose, Matthias H. M.; Roller, Alexander; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","N- and S-donor leaving groups in triazole-based ruthena(ii)cycles: potent anticancer activity, selective activation, and mode of action studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4625","4638","10.1039/c8dt00449h","","x-ray","0.71073","MoKα","","0.0666","0.0469","","","0.11","0.1197","","","","","","0.981","","","","has coordinates,has disorder","229758","2020-10-21","18:00:00",""
"7045828","8.4004","0.0013","16.506","0.003","20.116","0.004","109.731","0.002","94.688","0.002","90.344","0.003","2615","0.8","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 K N4 O0.5 Pt -","- C12 H9 K N4 O0.5 Pt -","- C96 H72 K8 N32 O4 Pt8 -","8","4","","Ogawa, Tomohiro; Sameera, W. M. C.; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Luminescent ionic liquids based on cyclometalated platinum(ii) complexes exhibiting thermochromic behaviour in different colour regions.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5589","5594","10.1039/c8dt00651b","","","0.71075","MoKα","","0.0609","0.0457","","","0.1089","0.1176","","","","","","1.049","","","","has coordinates","229616","2020-10-21","18:00:00",""
"7045829","52.668","0.003","18.1007","0.0006","32.7146","0.0017","90","","106.632","0.006","90","","29883","3","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C100 H132 Eu4 N16 O40 -","- C100 H132 Eu4 N16 O40 -","- C800 H1056 Eu32 N128 O320 -","8","2","","Junker, Anne Kathrine R.; Hill, Leila R.; Thompson, Amber L.; Faulkner, Stephen; Sørensen, Thomas Just","Shining light on the antenna chromophore in lanthanide based dyes.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4794","4803","10.1039/C7DT04788F","","","1.54184","CuKα","","0.2314","0.1773","","0.279","0.2135","0.1812","","","","","","1.1332","","","","has coordinates","229763","2020-10-21","18:00:00",""
"7045830","17.4223","0.0009","25.1438","0.0015","33.2547","0.0015","106.177","0.005","90.802","0.005","102.807","0.005","13598.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H132 Eu4 N16 O40 -","- C100 H132 Eu4 N16 O40 -","- C400 H528 Eu16 N64 O160 -","4","2","","Junker, Anne Kathrine R.; Hill, Leila R.; Thompson, Amber L.; Faulkner, Stephen; Sørensen, Thomas Just","Shining light on the antenna chromophore in lanthanide based dyes.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4794","4803","10.1039/C7DT04788F","","","0.6889","Synchrotron","","0.1613","0.1613","","0.1774","0.1774","0.1774","","","","","","1.1658","","","","has coordinates","229763","2020-10-21","18:00:00",""
"7045831","17.9227","0.0007","32.942","0.0009","47.9786","0.0016","90","","90","","90","","28327","1.6","90","","90","","","","","","","","","8","P c a n","-P 2n 2c","60","","","","- C101 H134 Eu4 F3 N16 Na O44 S -","- C101 H134 Eu4 F3 N16 Na O44 S -","- C808 H1072 Eu32 F24 N128 Na8 O352 S8 -","8","1","","Junker, Anne Kathrine R.; Hill, Leila R.; Thompson, Amber L.; Faulkner, Stephen; Sørensen, Thomas Just","Shining light on the antenna chromophore in lanthanide based dyes.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4794","4803","10.1039/C7DT04788F","","","1.5418","CuKα","","0.1953","0.1745","","0.469","0.4583","0.4689","","","","","","0.9996","","","","has coordinates","229763","2020-10-21","18:00:00",""
"7045832","13.6282","0.0008","16.6165","0.0011","22.7142","0.0014","90","","103.912","0.002","90","","4992.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H78 Cl10 Ir2 N22 O6 -","- C101 H78 Cl10 Ir2 N22 O6 -","- C202 H156 Cl20 Ir4 N44 O12 -","2","0.5","","Sreedharan, Sreejesh; Sinopoli, Alessandro; Jarman, Paul J.; Robinson, Darren; Clemmet, Christopher; Scattergood, Paul A.; Rice, Craig R.; Smythe, Carl G. W.; Thomas, James A.; Elliott, Paul I. P.","Mitochondria-localising DNA-binding biscyclometalated phenyltriazole iridium(iii) dipyridophenazene complexes: syntheses and cellular imaging properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4931","4940","10.1039/C8DT00046H","","","0.71073","MoKα","","0.1201","0.0586","","","0.0823","0.0975","","","","","","0.996","","","","has coordinates","229762","2020-10-21","18:00:00",""
"7045833","11.413","0.002","14.514","0.003","15.645","0.003","96.9","0.03","101.22","0.03","90.15","0.03","2522.7","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)titanium}","","- C57 H52.5 Fe2 Se4 Ti2 -","- C57 H52.5 Fe2 Se4 Ti2 -","- C114 H105 Fe4 Se8 Ti4 -","2","1","","Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.","Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5415","5421","10.1039/c8dt00300a","","","0.71073","MoKα","","0.0607","0.0491","","","0.1218","0.13","","","","","","1.034","","","","has coordinates","229858","2020-10-21","18:00:00",""
"7045834","11.542","0.002","14.304","0.003","14.484","0.003","99.53","0.03","109.08","0.03","108.16","0.03","2049.9","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)zirconium}","","- C44 H44 Fe2 O Se4 Zr2 -","- C44 H44 Fe2 O Se4 Zr2 -","- C88 H88 Fe4 O2 Se8 Zr4 -","2","1","","Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.","Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5415","5421","10.1039/c8dt00300a","","","0.71073","MoKα","","0.0774","0.0628","","","0.1567","0.1679","","","","","","1.112","","","","has coordinates","229858","2020-10-21","18:00:00",""
"7045835","13.866","0.003","20.452","0.004","18.464","0.004","90","","90.62","0.03","90","","5235.9","1.9","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-ferrocenyldiselenolato)bis{bis(tert-butylcyclopentadienyl)hafnium}","","- C56 H68 Fe2 Hf2 Se4 -","- C56 H68 Fe2 Hf2 Se4 -","- C224 H272 Fe8 Hf8 Se16 -","4","1","","Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.","Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5415","5421","10.1039/c8dt00300a","","","0.71073","MoKα","","0.0718","0.0586","","","0.1427","0.1526","","","","","","1.095","","","","has coordinates","229858","2020-10-21","18:00:00",""
"7045836","11.648","0.002","23.329","0.005","15.788","0.003","90","","94.37","0.03","90","","4277.7","1.4","155","2","155","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,1'-ferrocenyldiselenolato)bis{bis(cyclopentadienyl)hafnium}","","- C41.91 H39.81 Cl3.81 Fe2 Hf2 Se4 -","- C41.905 H39.81 Cl3.81 Fe2 Hf2 Se4 -","- C167.62 H159.24 Cl15.24 Fe8 Hf8 Se16 -","4","1","","Sanchez-Perez, Clara; Knapp, Caroline E.; Karjalainen, Minna M.; Oilunkaniemi, Raija; Carmalt, Claire J.; Laitinen, Risto S.","Macrocycles containing 1,1'-ferrocenyldiselenolato ligands on group 4 metallocenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5415","5421","10.1039/c8dt00300a","","","1.54184","CuKα","","0.0344","0.0326","","","0.0829","0.084","","","","","","1.059","","","","has coordinates,has disorder","229858","2020-10-21","18:00:00",""
"7045837","7.8322","0.0004","13.3857","0.0007","11.624","0.0006","90","","96.186","0.002","90","","1211.56","0.11","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N Se -","- C12 H12 Br N Se -","- C48 H48 Br4 N4 Se4 -","4","1","","Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph","Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5083","5097","10.1039/C8DT00233A","","","0.71073","MoKα","","0.0245","0.0195","","","0.0435","0.045","","","","","","1.045","","","","has coordinates","229768","2020-10-21","18:00:00",""
"7045838","11.7606","0.0007","30.594","0.002","15.8656","0.001","90","","90.937","0.003","90","","5707.7","0.6","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-methyl-N?[(phenylseleno)methylene)]-imidazolium tetraphenylborate","","- C35 H33 B N2 Se -","- C35 H33 B N2 Se -","- C280 H264 B8 N16 Se8 -","8","4","","Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph","Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5083","5097","10.1039/C8DT00233A","","","0.71073","MoKα","","0.0875","0.0462","","","0.0745","0.0839","","","","","","0.952","","","","has coordinates","229768","2020-10-21","18:00:00",""
"7045839","9.8147","0.001","38.702","0.004","17.1287","0.0018","90","","95.247","0.005","90","","6479","1.2","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 B N2 Se -","- C38 H39 B N2 Se -","- C304 H312 B8 N16 Se8 -","8","2","","Klauke, Karsten; Zaitsau, Dzmitry H.; Bülow, Mark; He, Li; Klopotowski, Maximilian; Knedel, Tim-Oliver; Barthel, Juri; Held, Christoph; Verevkin, Sergey P.; Janiak, Christoph","Thermodynamic properties of selenoether-functionalized ionic liquids and their use for the synthesis of zinc selenide nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5083","5097","10.1039/C8DT00233A","","","0.71073","MoKα","","0.0912","0.0486","","","0.1004","0.1128","","","","","","1.037","","","","has coordinates","229768","2020-10-21","18:00:00",""
"7045840","10.1126","0.0005","11.5124","0.0007","13.5558","0.0007","75.08","0.005","87.191","0.004","78.718","0.005","1495.49","0.15","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C26 H28 F6 N5 O4 P Pd S Se -","- C26 H28 F6 N5 O4 P Pd S Se -","- C52 H56 F12 N10 O8 P2 Pd2 S2 Se2 -","2","1","","Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian","Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5055","5064","10.1039/C7DT04180B","","","0.71073","MoKα","","0.0343","0.0253","","","0.0565","0.0579","","","","","","0.967","","","","has coordinates","229777","2020-10-21","18:00:00",""
"7045841","12.0576","0.0002","22.1214","0.0004","15.1116","0.0003","90","","95.332","0.0016","90","","4013.29","0.13","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 F6 N3 O3 P2 Ru S -","- C40 H43 F6 N3 O3 P2 Ru S -","- C160 H172 F24 N12 O12 P8 Ru4 S4 -","4","1","","Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian","Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5055","5064","10.1039/C7DT04180B","","","0.71073","MoKα","","0.05","0.0357","","","0.0916","0.0947","","","","","","1.085","","","","has coordinates","229777","2020-10-21","18:00:00",""
"7045842","9.4469","0.0004","11.9984","0.0005","13.5026","0.0006","73.297","0.004","86.79","0.003","78.665","0.003","1437.32","0.11","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C26 H25 F6 N6 O3 P Pd S -","- C26 H25 F6 N6 O3 P Pd S -","- C52 H50 F12 N12 O6 P2 Pd2 S2 -","2","1","","Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian","Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5055","5064","10.1039/C7DT04180B","","","0.71073","MoKα","","0.0369","0.0276","","","0.0569","0.0587","","","","","","0.951","","","","has coordinates","229777","2020-10-21","18:00:00",""
"7045843","12.1","0.0003","22.0455","0.0006","15.162","0.0005","90","","94.871","0.003","90","","4029.9","0.2","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 F6 N3 O3 P2 Ru Se -","- C40 H39 F6 N3 O3 P2 Ru Se -","- C160 H156 F24 N12 O12 P8 Ru4 Se4 -","4","1","","Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian","Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5055","5064","10.1039/C7DT04180B","","","0.71073","MoKα","","0.0653","0.0466","","","0.1166","0.121","","","","","","0.962","","","","has coordinates","229777","2020-10-21","18:00:00",""
"7045844","6.937","0.0004","19.1712","0.001","10.1432","0.0005","90","","93.424","0.005","90","","1346.54","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O3 Se -","- C12 H15 N3 O3 Se -","- C48 H60 N12 O12 Se4 -","4","1","","Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian","Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","5055","5064","10.1039/C7DT04180B","","","0.71073","MoKα","","0.058","0.035","","","0.0778","0.0811","","","","","","0.924","","","","has coordinates","229777","2020-10-21","18:00:00",""
"7045845","13.0286","0.0004","6.985","0.0002","22.2051","0.0006","90","","93.361","0.001","90","","2017.29","0.1","100","2","99.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N3 O9.5 -","- C18 H21.6667 N3 O9.49995 -","- C72 H86.6668 N12 O37.9998 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Coordination chemistry of flexible benzene-1,3,5-tricarboxamide derived carboxylates; notable structural resilience and vaguely familiar packing motifs.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5259","5268","10.1039/C8DT00439K","","","1.54178","CuKα","","0.051","0.0477","","","0.1359","0.1408","","","","","","1.068","","","","has coordinates,has disorder","229851","2020-10-21","18:00:00",""
"7045846","15.0689","0.0006","22.3544","0.0009","14.3047","0.0006","90","","109.675","0.001","90","","4537.3","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Cd3 N7 O27 -","- C33 H47 Cd3 N7 O27 -","- C132 H188 Cd12 N28 O108 -","4","1","","Lynes, Amy D.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Coordination chemistry of flexible benzene-1,3,5-tricarboxamide derived carboxylates; notable structural resilience and vaguely familiar packing motifs.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5259","5268","10.1039/C8DT00439K","","","0.71073","MoKα","","0.0382","0.0322","","","0.0807","0.0852","","","","","","1.115","","","","has coordinates,has disorder","229851","2020-10-21","18:00:00",""
"7045847","9.3062","0.0003","20.1158","0.0006","22.2589","0.0007","101.912","0.001","101.214","0.001","98.742","0.001","3918.4","0.2","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C79.05 H81.45 Cd3 N10.35 O24.7 -","- C79.05 H80.45 Cd3 N10.35 O24.7 -","- C158.1 H160.9 Cd6 N20.7 O49.4 -","2","1","","Lynes, Amy D.; Hawes, Chris S.; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Coordination chemistry of flexible benzene-1,3,5-tricarboxamide derived carboxylates; notable structural resilience and vaguely familiar packing motifs.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5259","5268","10.1039/C8DT00439K","","","0.71073","MoKα","","0.0884","0.0504","","","0.1162","0.1317","","","","","","1.014","","","","has coordinates,has disorder","229851","2020-10-21","18:00:00",""
"7045848","12.0673","0.0013","20.309","0.002","12.8377","0.0014","90","","94.218","0.001","90","","3137.7","0.6","181","2","181","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C35 H84 B2 F8 N O P5 Re6 Se8 -","- C35 H84 B2 F8 N O P5 Re6 Se8 -","- C70 H168 B4 F16 N2 O2 P10 Re12 Se16 -","2","0.5","","Chin, Colleen P.; Ren, YiXin; Berry, Joan; Knott, Stanley A.; McLauchlan, Craig C.; Szczepura, Lisa F.","Small molecule activation of nitriles coordinated to the [Re<sub>6</sub>Se<sub>8</sub>]<sup>2+</sup> core: formation of oxazine, oxazoline and carboxamide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4653","4660","10.1039/c7dt04907b","","","0.71073","MoKα","","0.0468","0.0324","","","0.076","0.083","","","","","","1.023","","","","has coordinates,has disorder","229757","2020-10-21","18:00:00",""
"7045849","29.181","0.003","13.3905","0.0016","37.295","0.004","90","","97.3133","0.0015","90","","14454","3","173","2","173","2","","","","","","","synthesis as described","9","I 1 2/a 1","-I 2ya","15","","","","- C51 H97 B F4 N O P5 Re6 Se8 -","- C51 H97 B F4 N O P5 Re6 Se8 -","- C408 H776 B8 F32 N8 O8 P40 Re48 Se64 -","8","1","","Chin, Colleen P.; Ren, YiXin; Berry, Joan; Knott, Stanley A.; McLauchlan, Craig C.; Szczepura, Lisa F.","Small molecule activation of nitriles coordinated to the [Re<sub>6</sub>Se<sub>8</sub>]<sup>2+</sup> core: formation of oxazine, oxazoline and carboxamide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4653","4660","10.1039/c7dt04907b","","","0.71073","MoKα","","0.0629","0.0299","","","0.0634","0.0792","","","","","","1.023","","","","has coordinates","229757","2020-10-21","18:00:00",""
"7045850","28.34","0.03","34.85","0.03","17.761","0.018","90","","90","","90","","17542","3","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H10 N5 O8 Zn2 -","- C22 H10 N5 O8 Zn2 -","- C352 H160 N80 O128 Zn32 -","16","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Yao-Yu","Functionalization of MOFs via a mixed-ligand strategy: enhanced CO<sub>2</sub> uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5298","5303","10.1039/c8dt00502h","","","0.71073","MoKα","","0.1146","0.0899","","","0.1905","0.201","","","","","","1.083","","","","has coordinates","229847","2020-10-21","18:00:00",""
"7045851","28.127","0.009","34.868","0.011","17.705","0.005","90","","90","","90","","17364","9","296","2","296","2","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H11 N6 O8 Zn2 -","- C22 H11 N6 O8 Zn2 -","- C352 H176 N96 O128 Zn32 -","16","0.5","","Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Wang, Yao-Yu","Functionalization of MOFs via a mixed-ligand strategy: enhanced CO<sub>2</sub> uptake by pore surface modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5298","5303","10.1039/c8dt00502h","","","0.71073","MoKα","","0.0938","0.0764","","","0.1942","0.2071","","","","","","1.097","","","","has coordinates","229847","2020-10-21","18:00:00",""
"7045852","9.34406","0.0002","6.15316","0.0001","7.8771","0.0002","90","","99.95","0.003","90","","446.086","0.017","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3 Ag S2 -","- C2 H3 Ag S2 -","- C8 H12 Ag4 S8 -","4","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.0922","0.0925","","","","","","1.161","","","","has coordinates","229542","2020-10-21","18:00:00",""
"7045853","30.2479","0.0005","10.4435","0.0002","5.98706","0.0001","90","","90","","90","","1891.28","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C7 Ag F5 S2 -","- C7 Ag F5 S2 -","- C56 Ag8 F40 S16 -","8","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0243","0.0214","","","0.0541","0.0557","","","","","","1.043","","","","has coordinates","229542","2020-10-21","18:00:00",""
"7045854","13.37747","0.00014","18.07547","0.00015","25.5036","0.0002","104.529","0.0007","92.4516","0.0008","108.122","0.0009","5624.4","0.1","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C120 H150 Ag4 O5 S8 -","- C120 H150 Ag4 O5 S8 -","- C240 H300 Ag8 O10 S16 -","2","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0554","0.0549","","","0.1342","0.1345","","","","","","1.103","","","","has coordinates,has disorder","229542","2020-10-21","18:00:00",""
"7045855","12.72625","0.00005","21.79602","0.00009","21.46037","0.00009","90","","96.3063","0.0004","90","","5916.69","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H61.5 Ag4 N3.5 S8 -","- C57.5 H61.5 Ag4 N3.5 S8 -","- C230 H246 Ag16 N14 S32 -","4","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0172","0.0171","","","0.0439","0.044","","","","","","1.067","","","","has coordinates,has disorder","229542","2020-10-21","18:00:00",""
"7045856","14.8463","0.0002","15.5737","0.0003","31.391","0.0003","90.7961","0.0012","100.743","0.001","110.685","0.0017","6645.95","0.19","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C96 H138 Ag6 S12 -","- C96 H138 Ag6 S12 -","- C192 H276 Ag12 S24 -","2","1","","Grote, Johanna; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Silver(i) dithiocarboxylate complexes - clustering and aggregation.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6036","6040","10.1039/c8dt00279g","","x-ray","1.54184","CuKα","","0.0696","0.0607","","","0.1651","0.1718","","","","","","1.033","","","","has coordinates,has disorder","229542","2020-10-21","18:00:00",""
"7045857","6.6294","0.0005","6.7581","0.0005","14.6108","0.0011","85.808","0.001","81.396","0.001","79.918","0.001","636.49","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 S2 Si4 -","- C18 H34 S2 Si4 -","- C18 H34 S2 Si4 -","1","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Poleshchuk, Oleg Kh; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Oligothienyl catenated germanes and silanes: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5431","5444","10.1039/c8dt00256h","","","0.71073","MoKα","","0.0278","0.0257","","","0.0704","0.0724","","","","","","1.064","","","","has coordinates,has disorder","229861","2020-10-21","18:00:00",""
"7045858","7.6171","0.0003","8.9311","0.0004","16.6999","0.0007","90","","96.6462","0.0006","90","","1128.44","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Ge2 S4 -","- C20 H22 Ge2 S4 -","- C40 H44 Ge4 S8 -","2","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Poleshchuk, Oleg Kh; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Oligothienyl catenated germanes and silanes: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5431","5444","10.1039/c8dt00256h","","","0.71073","MoKα","","0.02","0.0187","","","0.0536","0.0544","","","","","","1.064","","","","has coordinates","229861","2020-10-21","18:00:00",""
"7045859","7.6131","0.0004","8.7828","0.0004","16.7001","0.0008","90","","95.931","0.001","90","","1110.66","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 S4 Si2 -","- C20 H22 S4 Si2 -","- C40 H44 S8 Si4 -","2","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Poleshchuk, Oleg Kh; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Oligothienyl catenated germanes and silanes: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5431","5444","10.1039/c8dt00256h","","","0.71073","MoKα","","0.0307","0.0284","","","0.0838","0.086","","","","","","1.075","","","","has coordinates","229861","2020-10-21","18:00:00",""
"7045860","6.776","0.001","8.419","0.0013","12.53","0.0019","90.805","0.002","94.883","0.002","112.136","0.002","658.89","0.17","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 Ge4 S2 -","- C18 H34 Ge4 S2 -","- C18 H34 Ge4 S2 -","1","0.5","","Zaitsev, Kirill V.; Lam, Kevin; Poleshchuk, Oleg Kh; Kuz'mina, Lyudmila G.; Churakov, Andrei V.","Oligothienyl catenated germanes and silanes: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5431","5444","10.1039/c8dt00256h","","","0.71073","MoKα","","0.0408","0.0302","","","0.0782","0.0814","","","","","","1.099","","","","has coordinates","229861","2020-10-21","18:00:00",""
"7045861","11.8753","0.0013","19.058","0.002","24.429","0.003","90","","100.431","0.002","90","","5437.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H88 N2 O2 Si2 Th -","- C55 H88 N2 O2 Si2 Th -","- C220 H352 N8 O8 Si8 Th4 -","4","1","","Andreychuk, Nicholas R.; Dickie, Tara; Emslie, David J. H.; Jenkins, Hilary A.","Thorium(iv) alkyl and allyl complexes of a rigid NON-donor pincer ligand with flanking 1-adamantyl substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4866","4876","10.1039/c8dt00421h","","","0.71073","MoKα","","0.0757","0.0403","","","0.0665","0.0762","","","","","","0.997","","","","has coordinates","229770","2020-10-21","18:00:00",""
"7045862","11.71","0.0012","11.8425","0.0012","23.928","0.003","82.182","0.002","76.962","0.002","78.177","0.002","3150","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H100 N2 O Si2 Th -","- C69 H100 N2 O Si2 Th -","- C138 H200 N4 O2 Si4 Th2 -","2","1","","Andreychuk, Nicholas R.; Dickie, Tara; Emslie, David J. H.; Jenkins, Hilary A.","Thorium(iv) alkyl and allyl complexes of a rigid NON-donor pincer ligand with flanking 1-adamantyl substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4866","4876","10.1039/c8dt00421h","","","0.71073","MoKα","","0.0567","0.0539","","","0.1445","0.1457","","","","","","1.286","","","","has coordinates","229770","2020-10-21","18:00:00",""
"7045863","17.088","0.002","17.455","0.002","21.803","0.003","90","","100.23","0.002","90","","6399.8","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H106 K2 N2 O7 -","- C67 H106 K2 N2 O7 -","- C268 H424 K8 N8 O28 -","4","1","","Andreychuk, Nicholas R.; Dickie, Tara; Emslie, David J. H.; Jenkins, Hilary A.","Thorium(iv) alkyl and allyl complexes of a rigid NON-donor pincer ligand with flanking 1-adamantyl substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4866","4876","10.1039/c8dt00421h","","","0.71073","MoKα","","0.1193","0.0605","","","0.1363","0.1629","","","","","","1.023","","","","has coordinates","229770","2020-10-21","18:00:00",""
"7045864","16.6274","0.0014","10.6924","0.0009","13.1711","0.0011","90","","110.243","0.002","90","","2197","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Cu2 I2 N S2 -","- C16 H31 Cu2 I2 N S2 -","- C64 H124 Cu8 I8 N4 S8 -","4","1","","Bai, Shi-Qiang; Wong, Ivy Hoi Ka; Lin, Ming; Young, David James; Hor, T. S. Andy","A thermoelectric copper-iodide composite from the pyrolysis of a well-defined coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5564","5569","10.1039/c8dt00090e","","","0.71073","MoKα","","0.0608","0.0574","","","0.1561","0.1576","","","","","","1.162","","","","has coordinates,has disorder","229618","2020-10-21","18:00:00",""
"7045865","17.856","0.005","9.751","0.005","21.203","0.005","90","0.005","102.928","0.005","90","0.005","3598","2","293","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H6 Co Fe2 N3 O15 S3 -","- C27 H6 Co Fe2 N3 O15 S3 -","- C108 H24 Co4 Fe8 N12 O60 S12 -","4","1","","Li, Meng-Ting; Kong, Ning; Lan, Ya-Qian; Su, Zhong-Min","Sulfur-containing bimetallic metal organic frameworks with multi-fold helix as anode of lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4827","4832","10.1039/c8dt00095f","","","0.71069","MoKα","","0.0484","0.0403","","","0.1071","0.1113","","","","","","1.069","","","","has coordinates","229760","2020-10-21","18:00:00",""
"7045866","9.2563","0.0005","9.5206","0.0005","15.9254","0.0011","100.846","0.003","99.597","0.003","108.983","0.002","1263.54","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N10 O6 -","- C24 H18 Co N10 O6 -","- C48 H36 Co2 N20 O12 -","2","1","","Eskandari, Arvin; Kundu, Arunangshu; Lu, Chunxin; Ghosh, Sushobhan; Suntharalingam, Kogularamanan","Synthesis, characterization, and cytotoxic properties of mono- and di-nuclear cobalt(ii)-polypyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5755","5763","10.1039/c8dt00577j","","","0.71073","MoKα","","0.07","0.0468","","","0.1131","0.1261","","","","","","1.011","","","","has coordinates","229625","2020-10-21","18:00:00",""
"7045867","7.718","0.0012","14.973","0.002","15.659","0.002","106.656","0.008","99.42","0.008","101.815","0.008","1648.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 Co2 N22 O12 -","- C58 H44 Co2 N22 O12 -","- C58 H44 Co2 N22 O12 -","1","0.5","","Eskandari, Arvin; Kundu, Arunangshu; Lu, Chunxin; Ghosh, Sushobhan; Suntharalingam, Kogularamanan","Synthesis, characterization, and cytotoxic properties of mono- and di-nuclear cobalt(ii)-polypyridyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5755","5763","10.1039/c8dt00577j","","","0.71073","MoKα","","0.0781","0.0511","","","0.1409","0.1562","","","","","","1.05","","","","has coordinates","229625","2020-10-21","18:00:00",""
"7045868","14.6131","0.0003","14.6131","0.0003","37.2857","0.0009","90","","90","","120","","6895.4","0.3","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C79 H100 Cl4 Cr2 N12 Ni5 O35 -","- C72 H72 Cl4 Cr1.9998 N12 Ni5.0002 O28 -","- C216 H216 Cl12 Cr5.9994 N36 Ni15.0006 O84 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","","0.71073","MoKα","","0.0779","0.0548","","","0.1512","0.1752","","","","","","1.086","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045869","14.4962","0.0005","14.4962","0.0005","38.022","0.002","90","","90","","120","","6919.5","0.5","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C80 H104 Al2 Cl4 N12 O36 Zn5 -","- C72 H72 Al1.9998 Cl4 N12 O28 Zn5.0002 -","- C216 H216 Al5.9994 Cl12 N36 O84 Zn15.0006 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","0.71073","MoKα","","0.0849","0.0647","","","0.1384","0.1459","","","","","","1.091","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045870","14.5316","0.0001","14.5316","0.0001","37.926","0.0009","90","","90","","120","","6935.77","0.18","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C81 H108 Al2 Cl4 N12 Ni5 O37 -","- C72 H72 Al1.9998 Cl4 N12 Ni5.0002 O28 -","- C216 H216 Al5.9994 Cl12 N36 Ni15.0006 O84 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","1.54178","CuKα","","0.0838","0.0818","","","0.2373","0.2395","","","","","","1.134","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045871","14.592","0.0003","14.592","0.0003","37.7623","0.0014","90","","90","","120","","6963.4","0.3","120","","120","","","","","","","","","7","R -3","-R 3","148","","","","- C81 H108 Cl4 Cr2 N12 O37 Zn5 -","- C72 H72 Cl4 Cr1.9998 N12 O28 Zn5.0002 -","- C216 H216 Cl12 Cr5.9994 N36 O84 Zn15.0006 -","3","","","Fraser, Hector; Nichol, Gary Stephen; Uhrin, Dusan; Nielsen, Ulla Gro; Evangelisti, Marco; Schnack, Jürgen; Brechin, Euan K.","Order in disorder: solution and solid-state studies of [MIII2MII5] wheels (MIII = Cr, Al; MII = Ni, Zn)","Dalton Transactions","2018","","","","","10.1039/C8DT00685G","","x-ray","0.71073","MoKα","","0.0721","0.066","","","0.1412","0.1438","","","","","","1.15","","","","has coordinates,has disorder","206969","2020-10-21","18:00:00",""
"7045872","8.128","0.0005","10.5661","0.0006","13.3633","0.0008","67.786","0.001","83.662","0.001","73.883","0.001","1020.7","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H32 B10 N2 -","- C14 H32 B10 N2 -","- C28 H64 B20 N4 -","2","1","","Pérez, Sandra; Sanz Miguel, Pablo J.; Macías, Ramón","Decaborane anion tautomerism: ion pairing and proton transfer control.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5850","5859","10.1039/c8dt00610e","","","0.71073","MoKα","","0.0903","0.0568","","","0.1432","0.1659","","","","","","1.025","","","","has coordinates","229614","2020-10-21","18:00:00",""
"7045873","15.7808","0.0006","12.1309","0.0005","27.9536","0.0011","90","","90","","90","","5351.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C27 H34 N2 Na O4 P -","- C27 H34 N2 Na O4 P -","- C216 H272 N16 Na8 O32 P8 -","8","1","","Polezhaev, Alexander V.; Beagan, Daniel M.; Cabelof, Alyssa C.; Chen, Chun-Hsing; Caulton, Kenneth G.","A substituent-tolerant synthetic approach to N/P-""loaded"" heteroarenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5938","5942","10.1039/c8dt00533h","","","0.41328","synchrotron","","0.0691","0.0649","","0.1889","0.1848","0.1889","","","","","","0.9967","","","","has coordinates,has disorder","229538","2020-10-21","18:00:00",""
"7045874","11.3101","0.0016","11.3101","0.0016","19.393","0.004","90","","90","","120","","2148.4","0.6","200","2","200","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C4.5 H6 B0.33 F1.33 Fe0.17 N4 -","- C4.5 H6 B0.333333 F1.33333 Fe0.166667 N4 -","- C54 H72 B4 F16 Fe2 N48 -","12","1","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0634","0.0506","","","0.1324","0.1393","","","","","","1.152","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045875","11.1004","0.0007","11.1004","0.0007","19.4074","0.0015","90","","90","","120","","2071","0.2","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H36 Cl2 Fe N24 O8 -","- C27 H36 Cl2 Fe N24 O8 -","- C54 H72 Cl4 Fe2 N48 O16 -","2","0.166667","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.1006","0.0953","","","0.1857","0.1876","","","","","","1.264","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045876","11.1171","0.0016","11.1171","0.0016","19.268","0.004","90","","90","","120","","2062.3","0.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C4.5 H6 B0.33 F1.33 Fe0.17 N4 -","- C4.5 H6 B0.333333 F1.33333 Fe0.166667 N4 -","- C54 H72 B4 F16 Fe2 N48 -","12","1","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0903","0.0581","","","0.1164","0.1276","","","","","","1.105","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045877","11.2861","0.0003","11.2861","0.0003","19.6585","0.0006","90","","90","","120","","2168.55","0.11","250","2","250","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C27 H36 Cl2 Fe N24 O8 -","- C27 H36 Cl2 Fe N24 O8 -","- C54 H72 Cl4 Fe2 N48 O16 -","2","0.166667","","Knoll, Christian; Müller, Danny; Seifried, Marco; Giester, Gerald; Welch, Jan M.; Artner, Werner; Hradil, Klaudia; Reissner, Michael; Weinberger, Peter","Cooperativity in spin crossover materials as ligand's responsibility - investigations of the Fe(ii) - 1,3-bis((1H-tetrazol-1-yl)methyl)bicyclo[1.1.1]pentane system.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5553","5557","10.1039/c8dt00781k","","","0.71073","MoKα","","0.0574","0.0446","","","0.1211","0.1301","","","","","","1.057","","","","has coordinates","229626","2020-10-21","18:00:00",""
"7045878","14.3972","0.0008","4.106","0.0002","16.4295","0.0011","90","","103.275","0.007","90","","945.28","0.1","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4-Di(pyrazol-1-yl)-6H-1,3,5-triazine","","- C9 H7 N7 -","- C9 H7 N7 -","- C36 H28 N28 -","4","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0512","0.0426","","","0.1072","0.1161","","","","","","1.076","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045879","15.4505","0.0004","13.9523","0.0004","16.3341","0.0004","90","","90","","90","","3521.14","0.16","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine](methanol)silver(I) tetrafluoroborate","","- C13 H13 Ag B F4 N9 O -","- C13 H13 Ag B F4 N9 O -","- C104 H104 Ag8 B8 F32 N72 O8 -","8","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0334","0.0274","","","0.0629","0.0656","","","","","","1.059","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045880","12.0945","0.0003","6.8744","0.0002","26.4084","0.0006","90","","93.926","0.002","90","","2190.51","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[2,4,6-tri(pyrazolyl-1-yl)pyridine]bis(acetonitrile)disilver(I) ditetrafluoroborate bis-acetonitrile solvate","","- C36 H34 Ag2 B2 F8 N18 -","- C36 H34 Ag2 B2 F8 N18 -","- C72 H68 Ag4 B4 F16 N36 -","2","0.5","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0644","0.0573","","","0.1534","0.1615","","","","","","1.042","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045881","25.2916","0.0006","11.6686","0.0003","23.1019","0.0005","90","","91.719","0.002","90","","6814.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[2,4,6-tri(pyrazolyl-1-yl)pyridine]disilver(I) ditetrafluoroborate nitromethane (0.5/0.3) solvate","","- C28.3 H22.9 Ag2 B2 F8 N14.3 O0.6 -","- C28.3 H22.9 Ag2 B2 F8 N14.3 O0.6 -","- C226.4 H183.2 Ag16 B16 F64 N114.4 O4.8 -","8","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.068","0.054","","","0.1409","0.1513","","","","","","1.032","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045882","12.1548","0.0007","12.6789","0.0008","13.586","0.0008","66.821","0.006","65.231","0.005","72.775","0.005","1725.9","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Catena-bis[2,4,6-tri(pyrazolyl-1-yl)pyridine]disilver(I) ditetrafluoroborate nitromethane solvate","","- C29 H25 Ag2 B2 F8 N15 O2 -","- C29 H25 Ag2 B2 F8 N15 O2 -","- C58 H50 Ag4 B4 F16 N30 O4 -","2","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","0.71073","MoKα","","0.049","0.036","","","0.0689","0.0752","","","","","","1.045","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045883","17.9041","0.0008","10.1194","0.0003","18.2383","0.0006","90","","90","","90","","3304.4","0.2","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I) tetrafluoroborate","","- C12 H9 Ag B F4 N9 -","- C12 H9 Ag B F4 N9 -","- C96 H72 Ag8 B8 F32 N72 -","8","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0561","0.0471","","","0.116","0.1232","","","","","","1.041","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045884","10.8501","0.0006","12.4336","0.0006","14.5101","0.0009","90","","108.445","0.007","90","","1856.94","0.19","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I)tetrafluoroborate nitromethane solvate","","- C13 H12 Ag B F4 N10 O2 -","- C13 H12 Ag B F4 N10 O2 -","- C52 H48 Ag4 B4 F16 N40 O8 -","4","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0879","0.0864","","","0.2219","0.2241","","","","","","1.057","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045885","18.3941","0.0009","10.1003","0.0003","18.0884","0.0007","90","","90","","90","","3360.6","0.2","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","catena-[2,4,6-tri(pyrazol-1-yl)-1,3,5-triazine]silver(I) perchlorate","","- C12 H9 Ag Cl N9 O4 -","- C12 H9 Ag Cl N9 O4 -","- C96 H72 Ag8 Cl8 N72 O32 -","8","2","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0791","0.0657","","","0.1698","0.184","","","","","","1.06","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045886","29.8766","0.0006","10.9444","0.0002","25.5649","0.0008","90","","115.208","0.002","90","","7563.2","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Pentakis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]-pentasilver(I)penta-tetrafluoroborate dinitromethane solvate","","- C54 H46 Ag5 B5 F20 N34 O4 -","- C52 H40 Ag5 B2 F8 N32 -","- C208 H160 Ag20 B8 F32 N128 -","4","0.5","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","0.6998","synchrotron","","0.1127","0.087","","","0.2568","0.2701","","","","","","1.607","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045887","5.6623","0.0001","14.2076","0.0003","7.7351","0.0002","90","","91.837","0.002","90","","621.95","0.02","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Catena-[2,4-di(pyrazol-1-yl)-1,3,5-triazine]silver(I)tetrafluoroborate","","- C9 H7 Ag B F4 N7 -","- C9 H7 Ag B F4 N7 -","- C18 H14 Ag2 B2 F8 N14 -","2","0.5","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0391","0.0379","","","0.1031","0.1061","","","","","","1.063","","","","has coordinates","229862","2020-10-21","18:00:00",""
"7045888","11.3714","0.0003","6.8555","0.0002","23.7996","0.0006","90","","90.42","0.002","90","","1855.29","0.09","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis[2,4,6-tri(pyrazolyl-1-yl)pyrimidine]bis(acetonitrile)disilver(I) ditetrafluoroborate","","- C30 H26 Ag2 B2 F8 N18 -","- C30 H26 Ag2 B2 F8 N18 -","- C60 H52 Ag4 B4 F16 N36 -","2","1","","Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.","Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5269","5278","10.1039/C8DT00640G","","","1.54184","CuKα","","0.0519","0.0509","","","0.1339","0.1345","","","","","","1.141","","","","has coordinates,has disorder","229862","2020-10-21","18:00:00",""
"7045889","9.9794","0.0007","12.3968","0.0009","11.2336","0.0009","90","","93.857","0.006","90","","1386.59","0.18","203","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 Cl4 N2 Zn -","- C8 H17 Cl4 N2 Zn -","- C32 H68 Cl16 N8 Zn4 -","4","1","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.1171","0.099","","","0.3022","0.3415","","","","","","1.105","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045890","11.3016","0.0018","10.0982","0.0016","12.4665","0.0019","90","","90","","90","","1422.7","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H17 Cl4 N2 Zn -","- C8 H17 Cl4 N2 Zn -","- C32 H68 Cl16 N8 Zn4 -","4","0.5","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.081","0.0598","","","0.172","0.1904","","","","","","1.073","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045891","9.969","0.01","12.376","0.012","11.267","0.011","90","","93.25","0.011","90","","1388","2","233","2","233","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 Cl4 Co N2 -","- C8 H17 Cl4 Co N2 -","- C32 H68 Cl16 Co4 N8 -","4","1","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.1345","0.1114","","","0.2716","0.29","","","","","","1.124","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045892","11.264","0.0017","10.0243","0.0016","12.4055","0.0017","90","","90","","90","","1400.8","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H17 Cl4 Co N2 -","- C8 H17 Cl4 Co N2 -","- C32 H68 Cl16 Co4 N8 -","4","0.5","","Ji, Qin; Li, Linhai; Deng, Siyu; Cao, Xingxing; Chen, Lizhuang","High switchable dielectric phase transition originating from distortion in inorganic-organic hybrid materials (H<sub>2</sub>dabco-C<sub>2</sub>H<sub>5</sub>) [M<sup>II</sup>Cl<sub>4</sub>] (M = Co, Zn).","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5630","5638","10.1039/c8dt00623g","","","0.71073","MoKα","","0.0713","0.053","","","0.1289","0.1399","","","","","","1.14","","","","has coordinates","229620","2020-10-21","18:00:00",""
"7045893","29.2306","0.0004","22.6434","0.0003","20.0087","0.0003","90","","123.424","0.001","90","","11053.1","0.3","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Samarium diphosphine dioxide","","","- C56 H38 F18 O8 P2 Sm -","- C56 H31 F18 O8 P2 Sm -","- C448 H248 F144 O64 P16 Sm8 -","8","1","","Xu, Hai-Bing; Wang, Jie; Chen, Xue-Li; Xu, Peng; Xiong, Kang-Tai; Guan, Dao-Bin; Deng, Jian-Guo; Deng, Zhi-Hua; Kurmoo, Mohamedally; Zeng, Ming-Hua","Regulating structural dimensionality and emission colors by organic conjugation between Sm<sup>III</sup> at a fixed distance.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6908","6916","10.1039/c8dt00238j","","","0.71073","MoKα","","0.0532","0.0395","","","0.096","0.1065","","","","","","1.048","","","","has coordinates,has disorder","229706","2020-10-21","18:00:00",""
"7045894","12.48","0.003","13.211","0.003","17.305","0.003","79.82","0.03","76","0.03","66.05","0.03","2520.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Samarium diphosphine dioxide","","","- C43 H31 F18 O8 P2 Sm -","- C43 H31 F18 O8 P2 Sm -","- C86 H62 F36 O16 P4 Sm2 -","2","1","","Xu, Hai-Bing; Wang, Jie; Chen, Xue-Li; Xu, Peng; Xiong, Kang-Tai; Guan, Dao-Bin; Deng, Jian-Guo; Deng, Zhi-Hua; Kurmoo, Mohamedally; Zeng, Ming-Hua","Regulating structural dimensionality and emission colors by organic conjugation between Sm<sup>III</sup> at a fixed distance.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6908","6916","10.1039/c8dt00238j","","","0.71073","MoKα","","0.0724","0.051","","","0.1165","0.1303","","","","","","1.038","","","","has coordinates,has disorder","229706","2020-10-21","18:00:00",""
"7045895","13.7096","0.0003","14.2767","0.0003","16.794","0.0002","95.448","0.001","93.041","0.001","107.903","0.002","3102","0.11","","","","","","","","","","","","6","P -1","-P 1","2","Samarium diphosphine dioxide","","","- C58 H40 F15 O8 P3 Sm -","- C58 H40 F15 O8 P3 Sm -","- C116 H80 F30 O16 P6 Sm2 -","2","1","","Xu, Hai-Bing; Wang, Jie; Chen, Xue-Li; Xu, Peng; Xiong, Kang-Tai; Guan, Dao-Bin; Deng, Jian-Guo; Deng, Zhi-Hua; Kurmoo, Mohamedally; Zeng, Ming-Hua","Regulating structural dimensionality and emission colors by organic conjugation between Sm<sup>III</sup> at a fixed distance.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6908","6916","10.1039/c8dt00238j","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","229706","2020-10-21","18:00:00",""
"7045896","8.6627","0.0006","10.687","0.0008","15.644","0.0007","86.714","0.005","87.918","0.004","75.153","0.006","1397.29","0.16","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H27 Au F6 N2 P2 S -","- C26 H27 Au F6 N2 P2 S -","- C52 H54 Au2 F12 N4 P4 S2 -","2","1","","Gao, Bin-Bin; Zhang, Min; Chen, Xu-Ran; Zhu, Da-Liang; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Preparation of carbon-based AuAg alloy nanoparticles by using the heterometallic [Au<sub>4</sub>Ag<sub>4</sub>] cluster for efficient oxidative coupling of anilines.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5780","5788","10.1039/c8dt00695d","","","0.71073","MoKα","","0.0439","0.0349","","","0.0743","0.08","","","","","","1.048","","","","has coordinates","229622","2020-10-21","18:00:00",""
"7045897","18.0668","0.0008","18.0736","0.0006","26.7497","0.0008","104.108","0.003","95.39","0.003","99.338","0.003","8277.2","0.5","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H138 Ag4 Au4 F48 N19 P12 S4 -","- C126 H138 Ag4 Au4 F48 N19 P12 S4 -","- C252 H276 Ag8 Au8 F96 N38 P24 S8 -","2","1","","Gao, Bin-Bin; Zhang, Min; Chen, Xu-Ran; Zhu, Da-Liang; Yu, Hong; Zhang, Wen-Hua; Lang, Jian-Ping","Preparation of carbon-based AuAg alloy nanoparticles by using the heterometallic [Au<sub>4</sub>Ag<sub>4</sub>] cluster for efficient oxidative coupling of anilines.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5780","5788","10.1039/c8dt00695d","","","0.71073","MoKα","","0.1407","0.0987","","","0.2427","0.2886","","","","","","1.057","","","","has coordinates,has disorder","229622","2020-10-21","18:00:00",""
"7045898","5.93","0.002","11.012","0.005","7.395","0.004","90","","108.874","0.015","90","","456.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H13 B F3 O P -","- C5 H13 B F3 O P -","- C10 H26 B2 F6 O2 P2 -","2","1","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.71073","MoKα","","0.0318","0.0296","","","0.0736","0.075","","","","","","1.07","","","","has coordinates","229854","2020-10-21","18:00:00",""
"7045899","25.6108","0.0012","13.8705","0.0006","23.6977","0.001","90","","101.385","0.0013","90","","8252.6","0.6","100","2","100","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C25.17 H37.33 B Cl0.33 F2 O2 P2 Pd -","- C25.1667 H37.3333 B Cl0.333333 F2 O2 P2 Pd -","- C302 H448 B12 Cl4 F24 O24 P24 Pd12 -","12","3","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.71073","MoKα","","0.0545","0.0487","","","0.1043","0.1071","","","","","","1.099","","","","has coordinates,has disorder","229854","2020-10-21","18:00:00",""
"7045900","10.3177","0.0004","12.7035","0.0004","15.0982","0.0006","85.9475","0.0012","81.7449","0.0012","71.2831","0.001","1854.22","0.12","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H26 Cl2 O P Ru -","- C15 H26 Cl2 O P Ru -","- C60 H104 Cl8 O4 P4 Ru4 -","4","4","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.71073","MoKα","","0.0492","0.0375","","","0.0891","0.0984","","","","","","1.042","","","","has coordinates,has disorder","229854","2020-10-21","18:00:00",""
"7045901","15.7761","0.0002","15.7761","0.0002","9.6684","0.0001","90","","90","","120","","2083.94","0.04","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C5 H13 Au Cl O P -","- C5 H13 Au Cl O P -","- C45 H117 Au9 Cl9 O9 P9 -","9","3","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.7107","MoKα","","0.0513","0.0508","","","0.1279","0.1282","","","","","","1.106","","","","has coordinates","229854","2020-10-21","18:00:00",""
"7045902","7.4353","0.0005","17.0371","0.001","12.4919","0.0008","90","","90.4112","0.0019","90","","1582.38","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H50 Cl2 O4 P4 Pd2 -","- C20 H50 Cl2 O4 P4 Pd2 -","- C40 H100 Cl4 O8 P8 Pd4 -","2","1","","Gallen, Albert; Orgué, Sílvia; Muller, Guillermo; Escudero-Adán, Eduardo C; Riera, Antoni; Verdaguer, Xavier; Grabulosa, Arnald","Synthesis and coordination chemistry of enantiopure t-BuMeP(O)H.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5366","5379","10.1039/c8dt00897c","","","0.7107","MoKα","","0.047","0.0457","","","0.106","0.1066","","","","","","1.169","","","","has coordinates","229854","2020-10-21","18:00:00",""
"7045903","8.708","0.003","10.275","0.004","13.349","0.005","93.15","0.02","105.564","0.015","94.245","0.017","1144","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 I N3 P Ru -","- C20 H23 F6 I N3 P Ru -","- C40 H46 F12 I2 N6 P2 Ru2 -","2","1","","Štarha, Pavel; Trávníček, Zdeněk; Herchel, Radovan; Jewula, Pawel; Dvořák, Zdeněk","A potential method to improve the in vitro cytotoxicity of half-sandwich Os(ii) complexes against A2780 cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5714","5724","10.1039/c8dt00193f","","","0.71073","MoKα","","0.0241","0.0202","","","0.0499","0.0516","","","","","","1.052","","","","has coordinates","229621","2020-10-21","18:00:00",""
"7045904","14.848","0.007","14.208","0.007","24.673","0.017","90","","102.698","0.009","90","","5078","5","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 F3 O3 S Sb -","- C29 H22 F3 O3 S Sb -","- C232 H176 F24 O24 S8 Sb8 -","8","1","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0769","0.04","","","0.0761","0.0904","","","","","","1.025","","","","has coordinates,has disorder","229986","2020-10-21","18:00:00",""
"7045905","17.482","0.004","21.716","0.005","19.115","0.004","90","","116.456","0.006","90","","6497","3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","stibonium","","","- C24 Cl6 F20 Sb2 -","- C24 Cl6 F20 Sb2 -","- C192 Cl48 F160 Sb16 -","8","4","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0823","0.0472","","","0.0922","0.1167","","","","","","1.005","","","","has coordinates","229986","2020-10-21","18:00:00",""
"7045906","11.4672","0.0004","19.4493","0.0008","11.798","0.0005","90","","95.029","0.002","90","","2621.17","0.18","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F3 O3 S Sb -","- C28 H26 F3 O3 S Sb -","- C112 H104 F12 O12 S4 Sb4 -","4","1","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0648","0.0352","","","0.0756","0.0885","","","","","","1.009","","","","has coordinates","229986","2020-10-21","18:00:00",""
"7045907","18.642","0.002","14.0067","0.0018","19.752","0.002","90","","90","","90","","5157.5","1","110","2","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 F3 N O3 S Sb -","- C27 H25 F3 N O3 S Sb -","- C216 H200 F24 N8 O24 S8 Sb8 -","8","1","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.0722","0.0448","","","0.1024","0.122","","","","","","1.049","","","","has coordinates","229986","2020-10-21","18:00:00",""
"7045908","9.9453","0.0007","11.0052","0.0008","25.4792","0.0017","90","","101.217","0.004","90","","2735.4","0.3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 F3 N O3 S Sb -","- C28 H27 F3 N O3 S Sb -","- C112 H108 F12 N4 O12 S4 Sb4 -","4","1","","Yang, Mengxi; Pati, Nilanjana; Bélanger-Chabot, Guillaume; Hirai, Masato; Gabbaï, François P","Influence of the catalyst structure in the cycloaddition of isocyanates to oxiranes promoted by tetraarylstibonium cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11843","11850","10.1039/c8dt00702k","","","0.71073","MoKα","","0.1296","0.0991","","","0.189","0.2027","","","","","","1.171","","","","has coordinates,has disorder","229986","2020-10-21","18:00:00",""
"7045909","8.442","0.0005","12.8784","0.0008","11.7299","0.0007","90","","92.682","0.006","90","","1273.87","0.13","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Co N6 S2 -","- C24 H24 Co N6 S2 -","- C48 H48 Co2 N12 S4 -","2","1","","Switlicka, A.; Machura, B.; Kruszynski, R.; Cano, J.; Toma, L. M.; Lloret, F.; Julve, M.","The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5831","5842","10.1039/c7dt04735e","","","0.71073","MoKα","","0.0731","0.049","","","0.1392","0.1637","","","","","","1.074","","","","has coordinates,has disorder","229615","2020-10-21","18:00:00",""
"7045910","10.852","0.0008","6.7781","0.0007","16.9837","0.0014","90","","107.081","0.009","90","","1194.15","0.19","295","2","295","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 Co N10 -","- C22 H24 Co N10 -","- C44 H48 Co2 N20 -","2","0.5","","Switlicka, A.; Machura, B.; Kruszynski, R.; Cano, J.; Toma, L. M.; Lloret, F.; Julve, M.","The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5831","5842","10.1039/c7dt04735e","","","0.71073","MoKα","","0.0612","0.0418","","","0.1026","0.1109","","","","","","1.079","","","","has coordinates","229615","2020-10-21","18:00:00",""
"7045911","8.7712","0.0006","10.349","0.0006","15.0292","0.0011","106.403","0.006","90.987","0.005","112.873","0.006","1193.31","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Co N6 O2 -","- C24 H24 Co N6 O2 -","- C48 H48 Co2 N12 O4 -","2","1","","Switlicka, A.; Machura, B.; Kruszynski, R.; Cano, J.; Toma, L. M.; Lloret, F.; Julve, M.","The influence of pseudohalide ligands on the SIM behaviour of four-coordinate benzylimidazole-containing cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5831","5842","10.1039/c7dt04735e","","","0.71073","MoKα","","0.0625","0.0417","","","0.0923","0.1007","","","","","","1.028","","","","has coordinates","229615","2020-10-21","18:00:00",""
"7045912","13.843","0.003","17.869","0.004","17.503","0.004","90","","101.5","0.03","90","","4242.6","1.7","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H58 Ge Si8 -","- C30 H58 Ge Si8 -","- C120 H232 Ge4 Si32 -","4","0.5","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1023","0.1073","","","","","","0.984","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045913","9.7468","0.0019","27.98","0.006","16.054","0.003","90","","98.41","0.03","90","","4331.1","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 Ge3 Si6 -","- C32 H60 Ge3 Si6 -","- C128 H240 Ge12 Si24 -","4","1","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.0543","0.0423","","","0.0791","0.0826","","","","","","0.974","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045914","10.786","0.003","35.733","0.01","10.841","0.003","90","","96.252","0.005","90","","4153","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H58 Ge Si8 -","- C30 H58 Ge Si8 -","- C120 H232 Ge4 Si32 -","4","1","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.0785","0.0647","","","0.1449","0.151","","","","","","1.097","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045915","18.093","0.004","30.534","0.006","32.837","0.007","90","","90","","90","","18141","7","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C26 H68 Ge Si10 -","- C26 H68 Ge Si10 -","- C416 H1088 Ge16 Si160 -","16","0.5","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.023","0.022","","","0.0597","0.0602","","","","","","1.078","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045916","9.7118","0.0019","27.874","0.006","16.028","0.003","90","","98.49","0.03","90","","4291.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 Ge Si8 -","- C32 H60 Ge Si8 -","- C128 H240 Ge4 Si32 -","4","1","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.0933","0.0871","","","0.1525","0.1548","","","","","","1.394","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045917","10.817","0.003","35.902","0.009","10.823","0.003","90","","96.083","0.005","90","","4179.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H58 Ge3 Si6 -","- C30 H58 Ge3 Si6 -","- C120 H232 Ge12 Si24 -","4","1","","Walewska, Małgorzata; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Spirocyclic germanes via transannular insertion reactions of vinyl germylenes into Si-Si bonds.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5985","5996","10.1039/c8dt00315g","","","0.71073","MoKα","","0.1116","0.0894","","","0.1831","0.1923","","","","","","1.182","","","","has coordinates","229556","2020-10-21","18:00:00",""
"7045918","33.128","0.004","10.4228","0.0011","18.122","0.002","90","","90","","90","","6257.3","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C25 H23 N11 O3 -","- C25 H23 N11 O3 -","- C200 H184 N88 O24 -","8","0.5","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.102","0.0972","","","0.2606","0.2667","","","","","","1.073","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045919","10.18","0.004","13.691","0.004","13.928","0.004","110.571","0.006","96.276","0.006","99.532","0.006","1762.6","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cl4 Cu2 N20 O4 -","- C52 H46 Cl4 Cu2 N20 O4 -","- C52 H46 Cl4 Cu2 N20 O4 -","1","0.5","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.0782","0.0524","","","0.1392","0.1556","","","","","","0.857","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045920","9.5428","0.0011","14.4035","0.0016","16.5243","0.0018","105.835","0.002","101.818","0.002","97.05","0.002","2099.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H37 Cl2 Cu N13 O15 -","- C31 H37 Cl2 Cu N13 O15 -","- C62 H74 Cl4 Cu2 N26 O30 -","2","1","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.0625","0.045","","","0.1318","0.1443","","","","","","1.015","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045921","10.431","0.003","13.604","0.004","14.523","0.004","113.317","0.007","97.646","0.008","97.79","0.008","1835.2","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cu2 N22 O12 S2 -","- C50 H46 Cu2 N22 O12 S2 -","- C50 H46 Cu2 N22 O12 S2 -","1","0.5","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.0731","0.0486","","","0.1246","0.1384","","","","","","0.803","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045922","14.042","0.006","25.506","0.012","10.718","0.005","90","","106.08","0.005","90","","3689","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cu N12 O7 S -","- C28 H31 Cu N12 O7 S -","- C112 H124 Cu4 N48 O28 S4 -","4","1","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.1346","0.0894","","","0.1966","0.2126","","","","","","1.078","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045923","10.317","0.003","13.879","0.004","14.625","0.005","110.491","0.007","109.527","0.007","99.837","0.008","1747.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Cu N12 O9 -","- C26 H23 Cu N12 O9 -","- C52 H46 Cu2 N24 O18 -","2","1","","Naskar, Sourenjit; Jana, Barun; Ghosh, Pradyut","Anion-dependent thermo-responsive supramolecular superstructures of Cu(ii) macrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5734","5742","10.1039/c8dt00683k","","","0.71073","MoKα","","0.1336","0.0656","","","0.1821","0.2303","","","","","","0.68","","","","has coordinates","229627","2020-10-21","18:00:00",""
"7045924","10.406","0.0011","15.333","0.0008","18.462","0.002","76.301","0.008","75.302","0.009","88.858","0.007","2765.7","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C26.75 H37 Cl N3 Pd Sb -","- C25 H35 Cl N3 Pd Sb -","- C100 H140 Cl4 N12 Pd4 Sb4 -","4","2","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.0768","0.0473","","","0.1035","0.1209","","","","","","1.146","","","","has coordinates","229617","2020-10-21","18:00:00",""
"7045925","11.708","0.0007","15.1261","0.0012","14.1141","0.001","90","","116.63","0.007","90","","2234.4","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cl2 N2 Pt S Sb -","- C18 H29 Cl2 N2 Pt S Sb -","- C72 H116 Cl8 N8 Pt4 S4 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.0418","0.0282","","","0.0545","0.0606","","","","","","1.092","","","","has coordinates","229617","2020-10-21","18:00:00",""
"7045926","10.429","0.0007","15.298","0.0019","18.435","0.003","76.369","0.011","75.412","0.009","88.802","0.007","2763.9","0.6","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C26.75 H37 Cl N3 Pt Sb -","- C25 H35 Cl N3 Pt Sb -","- C100 H140 Cl4 N12 Pt4 Sb4 -","4","2","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.0449","0.0349","","","0.0887","0.099","","","","","","1.118","","","","has coordinates","229617","2020-10-21","18:00:00",""
"7045927","9.604","0.0008","16.5811","0.0019","17.404","0.0004","90","","104.845","0.005","90","","2679","0.4","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Cl4 N2 O Pt S Sb -","- C19 H31 Cl4 N2 O Pt S Sb -","- C76 H124 Cl16 N8 O4 Pt4 S4 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.0652","0.0562","","","0.1391","0.1584","","","","","","1.094","","","","has coordinates","229617","2020-10-21","18:00:00",""
"7045928","13.429","0.0009","13.455","0.0014","19.273","0.002","90","","95.323","0.007","90","","3467.4","0.6","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Cl Fe N3 Pt Sb -","- C36 H47 Cl Fe N3 Pt Sb -","- C144 H188 Cl4 Fe4 N12 Pt4 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.093","0.059","","","0.1179","0.1316","","","","","","1.201","","","","has coordinates","229617","2020-10-21","18:00:00",""
"7045929","13.43","0.0014","13.5021","0.0015","19.25","0.002","90","","95.129","0.011","90","","3476.7","0.6","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Cl Fe N3 Pd Sb -","- C36 H47 Cl Fe N3 Pd Sb -","- C144 H188 Cl4 Fe4 N12 Pd4 Sb4 -","4","1","","Kořenková, Monika; Hejda, Martin; Štěpnička, Petr; Uhlík, Filip; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Synthesis and non-conventional structure of square-planar Pd(ii) and Pt(ii) complexes with an N,C,N-chelated stibinidene ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5812","5822","10.1039/c8dt00714d","","","0.71073","MoKα","","0.1106","0.0863","","","0.1856","0.1995","","","","","","1.244","","","","has coordinates,has disorder","229617","2020-10-21","18:00:00",""
"7045930","23.5964","0.0015","13.0895","0.0009","17.5179","0.0012","90","","111.314","0.002","90","","5040.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl4 Fe2 N12 O3 -","- C48 H78 Cl4 Fe2 N12 O3 -","- C192 H312 Cl16 Fe8 N48 O12 -","4","1","","Drahoš, Bohuslav; Trávníček, Zdeněk","Spin crossover Fe(ii) complexes of a cross-bridged cyclam derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6134","6145","10.1039/c8dt00414e","","","0.71073","MoKα","","0.0747","0.0451","","","0.0911","0.0986","","","","","","1.022","","","","has coordinates,has disorder","229559","2020-10-21","18:00:00",""
"7045931","21.7383","0.0015","8.0208","0.0005","20.5678","0.0014","90","","112.832","0.002","90","","3305.2","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl8 Fe3 N6 -","- C24 H36 Cl8 Fe3 N6 -","- C96 H144 Cl32 Fe12 N24 -","4","0.5","","Drahoš, Bohuslav; Trávníček, Zdeněk","Spin crossover Fe(ii) complexes of a cross-bridged cyclam derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6134","6145","10.1039/c8dt00414e","","","0.71073","MoKα","","0.0393","0.0277","","","0.0606","0.0639","","","","","","0.956","","","","has coordinates","229559","2020-10-21","18:00:00",""
"7045932","11.0789","0.001","12.0262","0.0011","21.201","0.002","90","","102.212","0.003","90","","2760.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B2 F8 Fe N6 -","- C24 H36 B2 F8 Fe N6 -","- C96 H144 B8 F32 Fe4 N24 -","4","1","","Drahoš, Bohuslav; Trávníček, Zdeněk","Spin crossover Fe(ii) complexes of a cross-bridged cyclam derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6134","6145","10.1039/c8dt00414e","","","0.71073","MoKα","","0.1303","0.0569","","","0.131","0.1489","","","","","","1.04","","","","has coordinates,has disorder","229559","2020-10-21","18:00:00",""
"7045933","11.072","0.005","11.983","0.006","21.198","0.011","90","","102.346","0.017","90","","2747","2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B2 F8 Fe N6 -","- C24 H36 B2 F8 Fe N6 -","- C96 H144 B8 F32 Fe4 N24 -","4","1","","Drahoš, Bohuslav; Trávníček, Zdeněk","Spin crossover Fe(ii) complexes of a cross-bridged cyclam derivative.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6134","6145","10.1039/c8dt00414e","","","0.71073","MoKα","","0.0567","0.0372","","","0.0734","0.0797","","","","","","1.035","","","","has coordinates,has disorder","229559","2020-10-21","18:00:00",""
"7045934","11.0216","0.0009","13.5484","0.0008","13.845","0.0011","61.208","0.008","77.217","0.007","66.516","0.008","1660.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 B2 Dy2 Fe2 N28 O18 -","- C40 H46 B2 Dy2 Fe2 N28 O18 -","- C40 H46 B2 Dy2 Fe2 N28 O18 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Oliveira, Willian X. C.; Lloret, Francesc; Julve, Miguel","Design of 3d-4f molecular squares through the [Fe{(HB(pz)<sub>3</sub>)}(CN)<sub>3</sub>]<sup>-</sup> metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6005","6017","10.1039/c8dt00895g","","x-ray","0.71073","MoKα","","0.0529","0.0406","","","0.0777","0.0846","","","","","","1.057","","","","has coordinates,has disorder","229540","2020-10-21","18:00:00",""
"7045935","10.9953","0.0014","13.5584","0.0012","13.8383","0.0016","61.283","0.01","77.182","0.01","66.269","0.01","1655.2","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H43.5 B2 Fe2 N28 O16.75 Tb2 -","- C40 H43.52 B2 Fe2 N28 O16.75 Tb2 -","- C40 H43.52 B2 Fe2 N28 O16.75 Tb2 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Oliveira, Willian X. C.; Lloret, Francesc; Julve, Miguel","Design of 3d-4f molecular squares through the [Fe{(HB(pz)<sub>3</sub>)}(CN)<sub>3</sub>]<sup>-</sup> metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6005","6017","10.1039/c8dt00895g","","x-ray","0.71073","MoKα","","0.0673","0.0511","","","0.1101","0.1194","","","","","","1.026","","","","has coordinates,has disorder","229540","2020-10-21","18:00:00",""
"7045936","10.935","0.001","13.529","0.0012","13.857","0.0012","61.132","0.005","77.18","0.005","67.107","0.004","1652.4","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 B2 Fe2 Gd2 N28 O20 -","- C40 H50 B2 Fe2 Gd2 N28 O20 -","- C40 H50 B2 Fe2 Gd2 N28 O20 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Oliveira, Willian X. C.; Lloret, Francesc; Julve, Miguel","Design of 3d-4f molecular squares through the [Fe{(HB(pz)<sub>3</sub>)}(CN)<sub>3</sub>]<sup>-</sup> metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6005","6017","10.1039/c8dt00895g","","","0.71073","MoKα","","0.1289","0.0892","","","0.1901","0.2086","","","","","","0.995","","","","has coordinates,has disorder","229540","2020-10-21","18:00:00",""
"7045937","12.0687","0.0009","13.3292","0.001","13.3974","0.0008","89.017","0.006","77.566","0.006","89.386","0.006","2104.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 B2 Fe2 La2 N34 O22 -","- C56 H48 B2 Fe2 La2 N34 O22 -","- C56 H48 B2 Fe2 La2 N34 O22 -","1","0.5","","Alexandru, Maria-Gabriela; Visinescu, Diana; Shova, Sergiu; Oliveira, Willian X. C.; Lloret, Francesc; Julve, Miguel","Design of 3d-4f molecular squares through the [Fe{(HB(pz)<sub>3</sub>)}(CN)<sub>3</sub>]<sup>-</sup> metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6005","6017","10.1039/c8dt00895g","","","0.71073","MoKα","","0.0976","0.0632","","","0.1368","0.1586","","","","","","1.042","","","","has coordinates,has disorder","229540","2020-10-21","18:00:00",""
"7045938","20.8723","0.0018","20.8723","0.0018","35.981","0.004","90","","90","","120","","13575","2","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C53 H137 In16 N15 O6 S35 Zn4 -","- C48.9983 H84.9966 In16 N12.9996 S35 Zn4 -","- C195.993 H339.986 In64 N51.9986 S140 Zn16 -","4","0.333333","","Yang, Dan-Dan; Li, Wei; Xiong, Wei-Wei; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5977","5984","10.1039/c8dt00524a","","","0.71073","MoKα","","0.0664","0.0623","","","0.1598","0.1639","","","","","","1.011","","","","has coordinates,has disorder","229547","2020-10-21","18:00:00",""
"7045939","20.851","0.006","20.851","0.006","36.27","0.015","90","","90","","120","","13656","8","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C53 H137 In16 Mn4 N15 O6 S35 -","- C48.9983 H84.9966 In16 Mn4 N12.9996 S35 -","- C195.993 H339.986 In64 Mn16 N51.9986 S140 -","4","0.333333","","Yang, Dan-Dan; Li, Wei; Xiong, Wei-Wei; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5977","5984","10.1039/c8dt00524a","","","0.71073","MoKα","","0.1113","0.1015","","","0.1684","0.1737","","","","","","1.011","","","","has coordinates,has disorder","229547","2020-10-21","18:00:00",""
"7045940","20.945","0.003","20.945","0.003","36.312","0.007","90","","90","","120","","13796","4","123","2","123","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C53 H137 Cd4 In16 N15 O6 S35 -","- C48.9983 H84.9966 Cd4 In16 N12.9996 S35 -","- C195.993 H339.986 Cd16 In64 N51.9986 S140 -","4","0.333333","","Yang, Dan-Dan; Li, Wei; Xiong, Wei-Wei; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis of discrete supertetrahedral Tn (n = 4, 5) clusters with tunable components, band gaps, and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5977","5984","10.1039/c8dt00524a","","","0.71073","MoKα","","0.0723","0.0692","","","0.1279","0.1298","","","","","","1.012","","","","has coordinates,has disorder","229547","2020-10-21","18:00:00",""
"7045941","11.5937","0.0006","14.8606","0.0008","7.6683","0.0006","90","","93.437","0.008","90","","1318.79","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 B2 N2 O2 -","- C10 H22 B2 N2 O2 -","- C40 H88 B8 N8 O8 -","4","1","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","0.71073","MoKα","","0.0626","0.0484","","","0.1324","0.1361","","","","","","1.007","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045942","20.4725","0.0008","11.5631","0.0004","11.6719","0.0004","90","","91.666","0.004","90","","2761.87","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 B2 O4 -","- C11 H22 B2 O4 -","- C88 H176 B16 O32 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0612","0.0475","","","0.1239","0.1354","","","","","","1.043","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045943","15.4343","0.0012","5.3073","0.0004","16.9612","0.0014","90","","110.017","0.01","90","","1305.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B2 N2 O2 -","- C14 H14 B2 N2 O2 -","- C56 H56 B8 N8 O8 -","4","1","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0503","0.0414","","","0.1045","0.1113","","","","","","1.056","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045944","20.2409","0.001","11.7717","0.0004","11.6993","0.0004","90","","92.725","0.003","90","","2784.44","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.17 H22.33 B2 O4 -","- C11.1655 H22.331 B2 O4 -","- C89.324 H178.648 B16 O32 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0802","0.069","","","0.1783","0.1852","","","","","","1.083","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045945","20.4063","0.0009","11.6263","0.0005","11.6803","0.0004","90","","92.014","0.004","90","","2769.4","0.2","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.08 H22.16 B2 O4 -","- C11.0815 H22.163 B2 O4 -","- C88.652 H177.304 B16 O32 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0723","0.0541","","","0.1454","0.16","","","","","","1.039","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045946","20.4494","0.0014","11.6284","0.0008","11.6718","0.0008","90","","92.161","0.006","90","","2773.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.12 H22.24 B2 O4 -","- C11.1165 H22.233 B2 O4 -","- C88.932 H177.864 B16 O32 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0857","0.0543","","","0.1365","0.1483","","","","","","1.001","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045947","7.7413","0.0004","11.8768","0.0006","14.9725","0.0006","90","","90","","90","","1376.6","0.11","235","2","235","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H22 B2 N2 O2 -","- C10 H22 B2 N2 O2 -","- C40 H88 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","0.71073","MoKα","","0.055","0.0479","","","0.1311","0.1369","","","","","","1.103","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045948","20.1037","0.0012","11.888","0.0006","11.724","0.0007","90","","93.134","0.006","90","","2797.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11.18 H22.37 B2 O4 -","- C11.1785 H22.357 B1.9995 O3.999 -","- C89.428 H178.856 B15.996 O31.992 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0941","0.0665","","","0.1735","0.188","","","","","","0.999","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045949","9.3406","0.0002","11.0888","0.0002","16.2286","0.0003","90","","90","","90","","1680.89","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B2 N2 O2 -","- C14 H30 B2 N2 O2 -","- C56 H120 B8 N8 O8 -","4","1","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0383","0.0367","","","0.0971","0.0991","","","","","","1.028","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045950","11.1422","0.001","10.58","0.0006","11.5298","0.001","90","","106.766","0.009","90","","1301.41","0.19","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 B2 O4 -","- C12 H16 B2 O4 -","- C48 H64 B8 O16 -","4","1","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","x-ray","1.54184","CuKα","","0.0642","0.054","","","0.1274","0.1328","","","","","","1.106","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045951","10.7065","0.0004","16.6057","0.0006","10.7503","0.0004","90","","90","","90","","1911.28","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H34 B2 N2 O2 -","- C16 H34 B2 N2 O2 -","- C64 H136 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","0.71073","MoKα","","0.0667","0.0569","","","0.1465","0.1528","","","","","","1.065","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045952","7.2394","0.0004","12.5205","0.0007","12.8693","0.0007","90","","104.126","0.006","90","","1131.21","0.11","250.1","0.2","250.1","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H14 B2 N2 O2 -","- C10 H14 B2 N2 O2 -","- C40 H56 B8 N8 O8 -","4","0.5","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","x-ray","1.54184","CuKα","","0.0499","0.0459","","","0.1261","0.13","","","","","","1.08","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045953","7.2191","0.0006","24.3579","0.0012","12.5548","0.0011","90","","105.723","0.009","90","","2125.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 B2 N2 O2 -","- C10 H14 B2 N2 O2 -","- C80 H112 B16 N16 O16 -","8","2","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.072","0.0584","","","0.1543","0.1641","","","","","","1.137","","","","has coordinates,has disorder","229848","2020-10-21","18:00:00",""
"7045954","9.904","0.003","14.855","0.005","21.6","0.007","90","","90","","90","","3177.9","1.8","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H40 N4 O20 V4 -","- C20 H40 N4 O20 V4 -","- C80 H160 N16 O80 V16 -","4","0.5","","Cao, Jiapeng; Xiong, Yao; Luo, Ximing; Chen, Lu; Shi, Jie; Zhou, Mengjie; Xu, Yan","A pair of new chiral polyoxovanadates with decent NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6054","6058","10.1039/c8dt00631h","","","0.71073","MoKα","","0.0858","0.0749","","","0.1937","0.2008","","","","","","1.115","","","","has coordinates","229544","2020-10-21","18:00:00",""
"7045955","9.9327","0.001","14.9115","0.0014","21.658","0.002","90","","90","","90","","3207.8","0.5","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H40 N4 O20 V4 -","- C20 H40 N4 O20 V4 -","- C80 H160 N16 O80 V16 -","4","0.5","","Cao, Jiapeng; Xiong, Yao; Luo, Ximing; Chen, Lu; Shi, Jie; Zhou, Mengjie; Xu, Yan","A pair of new chiral polyoxovanadates with decent NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6054","6058","10.1039/c8dt00631h","","","0.71073","MoKα","","0.0446","0.0339","","","0.0703","0.0743","","","","","","0.992","","","","has coordinates","229544","2020-10-21","18:00:00",""
"7045956","33.906","0.003","18.8942","0.0016","29.641","0.003","90","","119.541","0.004","90","","16520","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C4 H126 K9 Mo24 N O110 S24 Te6 -","- K8.8 Mo24 O108.5 S24 Te6 -","- K35.2 Mo96 O434 S96 Te24 -","4","0.5","","Purcell, Jamie; Long, Deliang; Lee, Edward; Cronin, Lee; Miras, Haralampos N.","Spontaneous Formation of Chiral (Mo2O2S2)2±based Cluster Driven by Dimeric {Te2O6} Based Templates","Dalton Transactions","2018","","","","","10.1039/C8DT00832A","","","0.71073","MoKα","","0.0847","0.0534","","","0.1363","0.1562","","","","","","1.025","","","","has coordinates,has disorder","207183","2020-10-21","18:00:00",""
"7045957","14.0433","0.0004","21.6547","0.0007","22.9726","0.0006","73.403","0.003","83.415","0.002","89.935","0.002","6647.2","0.4","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C142 H126 Ag4 B2 F8 N10 O6 P6 -","- C142 H126 Ag4 B2 F8 N10 O6 P6 -","- C284 H252 Ag8 B4 F16 N20 O12 P12 -","2","1","","Gan, Xue-Min; Yu, Rongmin; Chen, Xu-Lin; Yang, MingXue; Lin, Ling; Wu, Xiao-Yuan; Lu, Can-Zhong","A unique tetranuclear Ag(i) complex emitting efficient thermally activated delayed fluorescence with a remarkably short decay time.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5956","5960","10.1039/c8dt00837j","","","1.54184","CuKα","","0.091","0.071","","","0.19","0.2096","","","","","","1.035","","","","has coordinates,has disorder","229557","2020-10-21","18:00:00",""
"7045958","6.5688","0.0008","31.711","0.003","18.1864","0.0015","90","","90","","90","","3788.3","0.7","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C30 Co3 N22 O5 -","- C30 Co3 N22 O5 -","- C120 Co12 N88 O20 -","4","0.25","","Gong, Chunhua; Guo, Haiyang; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Flexible and rigid dicarboxylic acids enable the assembly of achiral and chiral 3D Co(ii) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6917","6923","10.1039/c8dt00600h","","x-ray","1.54184","CuKα","","0.108","0.0845","","","0.2132","0.2304","","","","","","1.066","","","","has coordinates","229699","2020-10-21","18:00:00",""
"7045959","6.7117","0.0002","17.0422","0.0005","20.1108","0.0007","90","","90","","90","","2300.32","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Co2 N7 O5 -","- C23 H14 Co2 N7 O5 -","- C92 H56 Co8 N28 O20 -","4","1","","Gong, Chunhua; Guo, Haiyang; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Flexible and rigid dicarboxylic acids enable the assembly of achiral and chiral 3D Co(ii) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6917","6923","10.1039/c8dt00600h","","","0.71073","MoKα","","0.0467","0.0418","","","0.1244","0.1293","","","","","","1.069","","","","has coordinates","229699","2020-10-21","18:00:00",""
"7045960","8.2404","0.0014","12.026","0.002","13.259","0.002","69.446","0.006","89.417","0.006","74.285","0.006","1179.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Dy2 N4 O24 -","- C38 H50 Dy2 N4 O24 -","- C38 H50 Dy2 N4 O24 -","1","0.5","","Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.","Yb<sup>3+</sup> can be much better than Dy<sup>3+</sup>: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6199","6209","10.1039/c8dt00624e","","","0.71073","MoKα","","0.0872","0.0531","","","0.0955","0.1068","","","","","","1.016","","","","has coordinates,has disorder","229555","2020-10-21","18:00:00",""
"7045961","8.2284","0.0004","12.0412","0.0005","13.2437","0.0006","69.445","0.001","89.348","0.001","74.194","0.001","1177.01","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Ho2 N4 O24 -","- C38 H50 Ho2 N4 O24 -","- C38 H50 Ho2 N4 O24 -","1","0.5","","Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.","Yb<sup>3+</sup> can be much better than Dy<sup>3+</sup>: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6199","6209","10.1039/c8dt00624e","","","0.71073","MoKα","","0.0406","0.0316","","","0.0658","0.069","","","","","","1.015","","","","has coordinates,has disorder","229555","2020-10-21","18:00:00",""
"7045962","8.186","0.0003","12.0866","0.0005","13.1847","0.0005","69.401","0.001","89.646","0.001","74.225","0.001","1169.3","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Er2 N4 O24 -","- C38 H50 Er2 N4 O24 -","- C38 H50 Er2 N4 O24 -","1","0.5","","Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.","Yb<sup>3+</sup> can be much better than Dy<sup>3+</sup>: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6199","6209","10.1039/c8dt00624e","","","0.71073","MoKα","","0.046","0.0316","","","0.0614","0.0656","","","","","","0.964","","","","has coordinates,has disorder","229555","2020-10-21","18:00:00",""
"7045963","8.177","0.0004","12.1187","0.0006","13.2254","0.0006","69.202","0.001","89.335","0.001","74.11","0.001","1173","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N4 O24 Tm2 -","- C38 H50 N4 O24 Tm2 -","- C38 H50 N4 O24 Tm2 -","1","0.5","","Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.","Yb<sup>3+</sup> can be much better than Dy<sup>3+</sup>: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6199","6209","10.1039/c8dt00624e","","","0.71073","MoKα","","0.0302","0.023","","","0.0509","0.0539","","","","","","1.034","","","","has coordinates,has disorder","229555","2020-10-21","18:00:00",""
"7045964","8.1618","0.0004","12.1248","0.0007","13.1973","0.0007","69.077","0.002","89.278","0.002","74.064","0.002","1167.69","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N4 O24 Yb2 -","- C38 H50 N4 O24 Yb2 -","- C38 H50 N4 O24 Yb2 -","1","0.5","","Gavrikov, Andrey V.; Efimov, Nikolay N.; Ilyukhin, Andrey B.; Dobrokhotova, Zhanna V.; Novotortsev, Vladimir M.","Yb<sup>3+</sup> can be much better than Dy<sup>3+</sup>: SMM properties and controllable self-assembly of novel lanthanide 3,5-dinitrobenzoate-acetylacetonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6199","6209","10.1039/c8dt00624e","","","0.71073","MoKα","","0.0372","0.0281","","","0.0593","0.0627","","","","","","0.981","","","","has coordinates,has disorder","229555","2020-10-21","18:00:00",""
"7045965","26.757","0.007","6.7094","0.0017","13.283","0.003","90","","98.927","0.006","90","","2355.7","1","273","2","273","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H14 Ag3 I4 N3 -","- C15 H14 Ag3 I4 N3 -","- C60 H56 Ag12 I16 N12 -","4","0.5","","Li, Xia; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Two photochromic iodoargentate hybrids with adjustable photoresponsive mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6031","6035","10.1039/c8dt00829a","","","0.71073","MoKα","","0.0582","0.0488","","","0.1377","0.1512","","","","","","1.084","","","","has coordinates","229539","2020-10-21","18:00:00",""
"7045966","7.5462","0.0004","22.2417","0.0012","13.1833","0.0007","90","","90","","90","","2212.7","0.2","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C15 H15 Ag3 I4 N2 -","- C15 H15 Ag3 I4 N2 -","- C60 H60 Ag12 I16 N8 -","4","0.5","","Li, Xia; Hao, Pengfei; Shen, Junju; Fu, Yunlong","Two photochromic iodoargentate hybrids with adjustable photoresponsive mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6031","6035","10.1039/c8dt00829a","","","0.71073","MoKα","","0.0386","0.0364","","","0.0929","0.0944","","","","","","1.093","","","","has coordinates","229539","2020-10-21","18:00:00",""
"7045967","14.5956","0.0007","22.3215","0.0011","14.8504","0.0007","90","","91.11","0.001","90","","4837.3","0.4","296","2","296.15","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C9 H46 Ni3 O91 P2 Re3 W15 -","- C9 Ni3 O91 P2 Re3 W15 -","- C18 Ni6 O182 P4 Re6 W30 -","2","0.5","","Jia, Jiage; Ma, Pengtao; Zhang, Panpan; Zhang, Dongdi; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Immobilization of carbonyl rhenium tripods on the surface of a trinickel-substituted Dawson-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6288","6292","10.1039/c8dt00138c","","","0.71073","MoKα","","0.0588","0.0406","","","0.0994","0.11","","","","","","1.016","","","","has coordinates,has disorder","229865","2020-10-21","18:00:00",""
"7045968","8.979","0.004","12.077","0.005","16.673","0.007","90","","90","","90","","1808","1.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","1","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.0555","0.05","","","0.1065","0.1153","","","","","","1.028","","","","has coordinates","229549","2020-10-21","18:00:00",""
"7045969","9.199","0.007","16.828","0.014","12.1","0.01","90","","93.47","0.02","90","","1870","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","1","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.1375","0.0994","","","0.1988","0.2168","","","","","","1.045","","","","has coordinates","229549","2020-10-21","18:00:00",""
"7045970","12.156","0.013","9.164","0.01","16.939","0.019","90","","90","","90","","1887","4","353","2","353","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","0.5","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.2006","0.1375","","","0.2217","0.2583","","","","","","1.023","","","","has coordinates,has disorder","229549","2020-10-21","18:00:00",""
"7045971","9.4935","0.0008","17.3888","0.0013","12.4983","0.0008","90","","93.438","0.007","90","","2059.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Br6 Co N2 -","- C8 H22 Br6 Co N2 -","- C32 H88 Br24 Co4 N8 -","4","1","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.1615","0.1135","","","0.2783","0.3115","","","","","","1.007","","","","has coordinates","229549","2020-10-21","18:00:00",""
"7045972","15.01","0.0008","15.8427","0.0008","16.5234","0.0007","70.367","0.004","84.345","0.004","70.653","0.005","3491.5","0.3","293","2","295","1","","","","","","","","8","P -1","-P 1","2","","","","- C142 H90 Au2 B4 F60 N4 O2 S2 -","- C142 H90 Au2 B4 F60 N4 O2 S2 -","- C142 H90 Au2 B4 F60 N4 O2 S2 -","1","0.5","","Currie, Lucy; Rocchigiani, Luca; Hughes, David L.; Bochmann, Manfred","Carbon-sulfur bond formation by reductive elimination of gold(iii) thiolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6333","6343","10.1039/c8dt00906f","","","0.71073","Mo-Kα","","0.0929","0.0654","","","0.1206","0.1316","","","","","","1.044","","","","has coordinates","229882","2020-10-21","18:00:00",""
"7045973","11.6917","0.0008","21.9618","0.0018","19.2926","0.0015","90","","93.63","0.005","90","","4943.8","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Cu2 N8 O10 -","- C40 H52 Cu2 N8 O10 -","- C160 H208 Cu8 N32 O40 -","4","0.5","","Markad, Datta; Mandal, Sanjay K.","Synthesis and structural characterization of a novel dinuclear Cu(ii) complex: an efficient and recyclable bifunctional heterogeneous catalyst for the diastereoselective Henry reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5928","5932","10.1039/c8dt00708j","","","0.71073","MoKα","","0.0598","0.0454","","","0.1242","0.1328","","","","","","1.056","","","","has coordinates","229558","2020-10-21","18:00:00",""
"7045974","8.4972","0.0014","14.741","0.002","16.34","0.003","73.026","0.002","81.584","0.002","87.25","0.002","1936.4","0.5","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H33 F12 Fe N13 O2 P2 -","- C32 H33 F12 Fe N13 O2 P2 -","- C64 H66 F24 Fe2 N26 O4 P4 -","2","1","","Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.","An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6351","6360","10.1039/c8dt00805a","","x-ray","0.71073","MoKα","","0.0728","0.0515","","","0.1285","0.1412","","","","","","1.025","","","","has coordinates","229866","2020-10-21","18:00:00",""
"7045975","16.3724","0.0002","16.3724","","14.2233","0.0002","90","","90","","90","","3812.63","0.07","105","2","105","2","","","","","","","","7","I -4","I -4","82","Fe(dipyvd)2PF6","","","- C34 H36 F6 Fe N14 O2 P -","- C34 H36 F6 Fe N14 O2 P -","- C136 H144 F24 Fe4 N56 O8 P4 -","4","0.5","","Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.","An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6351","6360","10.1039/c8dt00805a","","","0.71073","MoKα","","0.0433","0.0394","","","0.0948","0.0982","","","","","","1.037","","","","has coordinates","229866","2020-10-21","18:00:00",""
"7045976","15.8913","0.0015","15.8913","0.0015","14.8198","0.0016","90","","90","","90","","3742.5","0.6","150","","150","","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H30 F12 Fe N12 O2 P2 -","- C30 H30 F12 Fe N12 O2 P2 -","- C120 H120 F48 Fe4 N48 O8 P8 -","4","0.5","","Brook, David J. R.; Fleming, Connor; Chung, Dorothy; Richardson, Cardius; Ponce, Servando; Das, Raja; Srikanth, Hariharan; Heindl, Ranko; Noll, Bruce C.","An electron transfer driven magnetic switch: ferromagnetic exchange and spin delocalization in iron verdazyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6351","6360","10.1039/c8dt00805a","","x-ray","0.7749","synchrotron","","0.0792","0.0539","","","0.1403","0.1589","","","","","","1.1493","","","","has coordinates,has disorder","229866","2020-10-21","18:00:00",""
"7045977","14.583","0.004","15.851","0.004","16.822","0.004","103.244","0.004","91.321","0.007","90.869","0.005","3783.2","1.7","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H92 Ce4 N24 -","- C67 H92 Ce4 N24 -","- C134 H184 Ce8 N48 -","2","1","","Werner, Daniel; Bayer, Uwe; Rad, Nazli E.; Junk, Peter C.; Deacon, Glen B.; Anwander, Reiner","Unique and contrasting structures of homoleptic lanthanum(iii) and cerium(iii) 3,5-dimethylpyrazolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5952","5955","10.1039/c8dt00338f","","","0.71073","MoKα","","0.1149","0.0658","","","0.1016","0.1153","","","","","","1.078","","","","has coordinates","229554","2020-10-21","18:00:00",""
"7045978","7.996","0.0016","10.246","0.002","10.755","0.002","71.42","0.03","79.55","0.03","81.91","0.03","818.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 La N6 -","- C15 H21 La N6 -","- C30 H42 La2 N12 -","2","1","","Werner, Daniel; Bayer, Uwe; Rad, Nazli E.; Junk, Peter C.; Deacon, Glen B.; Anwander, Reiner","Unique and contrasting structures of homoleptic lanthanum(iii) and cerium(iii) 3,5-dimethylpyrazolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5952","5955","10.1039/c8dt00338f","","","0.71073","MoKα","","0.0272","0.0268","","","0.0693","0.0695","","","","","","1.152","","","","has coordinates","229554","2020-10-21","18:00:00",""
"7045979","16.513","0.0003","20.6361","0.0004","22.3828","0.0004","90","","95.2323","0.0009","90","","7595.5","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H94.5 Ce4 N24 -","- C64.5 H94.5 Ce4 N24 -","- C258 H378 Ce16 N96 -","4","1","","Werner, Daniel; Bayer, Uwe; Rad, Nazli E.; Junk, Peter C.; Deacon, Glen B.; Anwander, Reiner","Unique and contrasting structures of homoleptic lanthanum(iii) and cerium(iii) 3,5-dimethylpyrazolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5952","5955","10.1039/c8dt00338f","","","0.71073","MoKα","","0.0505","0.0373","","","0.0935","0.1001","","","","","","1.004","","","","has coordinates","229554","2020-10-21","18:00:00",""
"7045980","21.3632","0.0018","13.4207","0.0011","25.122","0.002","90","","100.512","0.0015","90","","7081.8","1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Ce4 N24 -","- C60 H84 Ce4 N24 -","- C240 H336 Ce16 N96 -","4","1","","Werner, Daniel; Bayer, Uwe; Rad, Nazli E.; Junk, Peter C.; Deacon, Glen B.; Anwander, Reiner","Unique and contrasting structures of homoleptic lanthanum(iii) and cerium(iii) 3,5-dimethylpyrazolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","5952","5955","10.1039/c8dt00338f","","","0.71073","MoKα","","0.0495","0.0343","","","0.0738","0.0841","","","","","","1.105","","","","has coordinates","229554","2020-10-21","18:00:00",""
"7045981","15.7075","0.0014","11.6951","0.0011","21.0903","0.0019","90","","100.12","0.002","90","","3814","0.6","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C32 H24 Cd N2 O4 S2 -","- C32 H24 Cd N2 O4 S2 -","- C128 H96 Cd4 N8 O16 S8 -","4","1","","Chen, Zhiwei; Mi, Xiuna; Lu, Jing; Wang, Suna; Li, Yunwu; Dou, Jianmin; Li, Dacheng","From 2D →3D interpenetration to packing: N coligand-driven structural assembly and tuning of luminescent sensing activities towards Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6240","6249","10.1039/c8dt00909k","","","0.71073","MoKα","","0.1375","0.0708","","","0.1864","0.2154","","","","","","1","","","","has coordinates","229548","2020-10-21","18:00:00",""
"7045982","12.605","0.0011","13.8481","0.0012","14.4589","0.0014","101.81","0.002","98.07","0.001","93.023","0.001","2437.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 Cd N6 O6 S2 -","- C54 H48 Cd N6 O6 S2 -","- C108 H96 Cd2 N12 O12 S4 -","2","1","","Chen, Zhiwei; Mi, Xiuna; Lu, Jing; Wang, Suna; Li, Yunwu; Dou, Jianmin; Li, Dacheng","From 2D →3D interpenetration to packing: N coligand-driven structural assembly and tuning of luminescent sensing activities towards Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6240","6249","10.1039/c8dt00909k","","","0.71073","MoKα","","0.1106","0.0691","","","0.1712","0.1911","","","","","","1","","","","has coordinates","229548","2020-10-21","18:00:00",""
"7045983","14.0069","0.0013","15.8052","0.0014","20.7852","0.0018","81.802","0.001","86.136","0.002","88.281","0.002","4543.1","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Cd2 N4 O8 S4 -","- C68 H52 Cd2 N4 O8 S4 -","- C136 H104 Cd4 N8 O16 S8 -","2","1","","Chen, Zhiwei; Mi, Xiuna; Lu, Jing; Wang, Suna; Li, Yunwu; Dou, Jianmin; Li, Dacheng","From 2D →3D interpenetration to packing: N coligand-driven structural assembly and tuning of luminescent sensing activities towards Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6240","6249","10.1039/c8dt00909k","","","0.71073","MoKα","","0.1826","0.0871","","","0.1932","0.2089","","","","","","1.046","","","","has coordinates","229548","2020-10-21","18:00:00",""
"7045984","18.1983","0.0012","22.7116","0.0015","14.4488","0.001","90","","126.6","0.006","90","","4794.3","0.7","200","2","200","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C18 H75 Ge3 N18 Ni3 O45 Sb3 V15 -","- C18 H72 Ge3 N18 Ni3 O45 Sb3 V15 -","- C36 H144 Ge6 N36 Ni6 O90 Sb6 V30 -","2","0.5","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0375","0.0314","","","0.075","0.0775","","","","","","0.996","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7045985","12.6027","0.0007","26.4698","0.0017","15.1116","0.0009","90","","114.801","0.006","90","","4576.2","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H84 Ge4 N20 Ni3 O46 Sb2 V15 -","- C20 H80 Ge4 N20 Ni3 O46 Sb2 V15 -","- C40 H160 Ge8 N40 Ni6 O92 Sb4 V30 -","2","1","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0389","0.0344","","","0.0852","0.0873","","","","","","1.037","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7045986","14.9473","0.0003","18.808","0.0003","16.1556","0.0003","90","","112.616","0.001","90","","4192.55","0.14","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C18 H93 Ge3 N18 Ni3 O54 Sb3 V15 -","- C18 H72 Ge3 N18 Ni3 O54 Sb3 V15 -","- C36 H144 Ge6 N36 Ni6 O108 Sb6 V30 -","2","1","","Wendt, M.; Mahnke, L. K.; Näther, C; van Leusen, J.; Kögerler, P; Bensch, W.","Ordnung muss sein: heteroelement order and disorder in polyoxovanadates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6672","6674","10.1039/c8dt00715b","","","0.71073","MoKα","","0.0508","0.0469","","","0.1151","0.1181","","","","","","1.025","","","","has coordinates,has disorder","229607","2020-10-21","18:00:00",""
"7045987","12.9527","0.0003","9.7141","0.0003","14.9863","0.0004","90","","91.393","0.001","90","","1885.08","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DS-504","","","- C21 H16 Mn N3 O4 -","- C21 H16 Mn N3 O4 -","- C84 H64 Mn4 N12 O16 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín","Selective formation of formamidines, carbodiimides and formimidates from isocyanide complexes of Mn(i) mediated by Ag<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6279","6282","10.1039/c8dt01200h","","","0.71073","MoKα","","0.0731","0.0411","","","0.0896","0.1042","","","","","","1.029","","","","has coordinates","229870","2020-10-21","18:00:00",""
"7045988","8.2025","0.0002","10.5656","0.0002","15.3399","0.0004","80.548","0.001","78.216","0.001","87.453","0.001","1283.65","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","DS-511.2 - 17RPA008","","","- C22 H19 B Cl2 F4 Mn N3 O4 -","- C22 H19 B Cl2 F4 Mn N3 O4 -","- C44 H38 B2 Cl4 F8 Mn2 N6 O8 -","2","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín","Selective formation of formamidines, carbodiimides and formimidates from isocyanide complexes of Mn(i) mediated by Ag<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6279","6282","10.1039/c8dt01200h","","","0.71073","MoKα","","0.0562","0.0401","","","0.093","0.1007","","","","","","1.05","","","","has coordinates,has disorder","229870","2020-10-21","18:00:00",""
"7045989","31.9054","0.0005","6.917","0.0001","20.7312","0.0003","90","","103.087","0.0008","90","","4456.34","0.12","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DS-506.2 - 17RPA007B","","","- C21 H17 B F4 Mn N3 O4 -","- C21 H17 B F4 Mn N3 O4 -","- C168 H136 B8 F32 Mn8 N24 O32 -","8","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín","Selective formation of formamidines, carbodiimides and formimidates from isocyanide complexes of Mn(i) mediated by Ag<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6279","6282","10.1039/c8dt01200h","","","0.71073","MoKα","","0.0487","0.0335","","","0.0808","0.0904","","","","","","1.056","","","","has coordinates,has disorder","229870","2020-10-21","18:00:00",""
"7045990","11.2177","0.0002","19.8711","0.0004","11.7872","0.0002","90","","116.37","0.001","90","","2354.06","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DS-478","","","- C22 H20 Cl Mn N4 O7 -","- C22 H20 Cl Mn N4 O7 -","- C88 H80 Cl4 Mn4 N16 O28 -","4","1","","Ruiz, Javier; Sol, Daniel; Mateo, María A; Vivanco, Marilín","Selective formation of formamidines, carbodiimides and formimidates from isocyanide complexes of Mn(i) mediated by Ag<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6279","6282","10.1039/c8dt01200h","","","0.71073","MoKα","","0.0791","0.0439","","","0.1041","0.12","","","","","","1.077","","","","has coordinates","229870","2020-10-21","18:00:00",""
"7045991","10.693","0.002","21.451","0.004","7.7724","0.0014","90","","102.437","0.002","90","","1741","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Co O11 -","- C16 H16 Co O11 -","- C64 H64 Co4 O44 -","4","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.0456","0.0328","","","0.0865","0.0937","","","","","","1.051","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7045992","11.383","0.006","9.236","0.005","30.142","0.015","90","","90","","90","","3169","3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H10 Ag2 O7 -","- C17 H10 Ag2 O7 -","- C136 H80 Ag16 O56 -","8","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.0506","0.0307","","","0.0619","0.0686","","","","","","1.0641","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7045993","10.661","0.0018","21.487","0.004","7.6743","0.0013","90","","102.258","0.002","90","","1717.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ni O11 -","- C16 H16 Ni O11 -","- C64 H64 Ni4 O44 -","4","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.0419","0.0317","","","0.0764","0.0825","","","","","","1.024","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7045994","6.6948","0.0011","21.754","0.004","26.573","0.004","90","","96.302","0.002","90","","3846.7","1.1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37 Cu2 N O22 -","- C35 H37 Cu2 N O22 -","- C140 H148 Cu8 N4 O88 -","4","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.1391","0.0718","","","0.1368","0.1602","","","","","","1.123","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7045995","6.8037","0.0011","14.692","0.002","15.72","0.003","90","","98.28","0.002","90","","1555","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 O10 Zn1.5 -","- C16 H13 O10 Zn1.5 -","- C64 H52 O40 Zn6 -","4","1","","Ye, Cai-Ping; Xu, Gan; Wang, Zheng; Han, Jie; Xue, Lian; Cao, Fu-Yu; Zhang, Qi; Yang, Lin-Feng; Lin, Li-Zhou; Chen, Xu-Dong","Design and synthesis of functionalized coordination polymers as recyclable heterogeneous photocatalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6470","6478","10.1039/c8dt00902c","","","0.71073","MoKα","","0.0361","0.0271","","","0.0643","0.0678","","","","","","1.081","","","","has coordinates","229867","2020-10-21","18:00:00",""
"7045996","15.2036","0.0005","24.5959","0.0006","34.1168","0.0011","90","","94.102","0.003","90","","12725.2","0.7","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl4 Co2 N6 O -","- C57 H58 Cl4 Co2 N6 O -","- C456 H464 Cl32 Co16 N48 O8 -","8","1","","Chen, Qiang; Zhang, Wenjuan; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Methylene-bridged bimetallic bis(imino)pyridine-cobaltous chlorides as precatalysts for vinyl-terminated polyethylene waxes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6124","6133","10.1039/c8dt00907d","","","0.71073","MoKα","","0.223","0.0938","","","0.2161","0.2755","","","","","","1.022","","","","has coordinates","229541","2020-10-21","18:00:00",""
"7045997","15.325","0.003","27.895","0.006","33.306","0.007","113.35","0.03","100.91","0.03","95.58","0.03","12599","6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H62 Br8 Mg N16 O S -","- C94 H62 Br8 Mg N16 O S -","- C376 H248 Br32 Mg4 N64 O4 S4 -","4","2","","Tarakanov, Pavel A.; Tarakanova, Ekaterina N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.; Trashin, Stanislav A.; De Wael, Karolien; Neganova, Margarita E.; Mischenko, Denis V.; Sessler, Jonathan L.; Stuzhin, Pavel A.; Pushkarev, Victor E.; Tomilova, Larisa G.","Optical readout of controlled monomer-dimer self-assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14169","14173","10.1039/c8dt00384j","","","0.9699","synchrotron","","0.2374","0.1361","","","0.2319","0.2672","","","","","","1.08","","","","has coordinates,has disorder","229735","2020-10-21","18:00:00",""
"7045998","11.7633","0.0008","12.7083","0.0007","17.4748","0.0011","70.553","0.005","75.294","0.006","62.99","0.007","2178.2","0.3","150.02","0.1","150.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 K N O3 Si2 -","- C48 H54 K N O3 Si2 -","- C96 H108 K2 N2 O6 Si4 -","2","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.0855","0.0576","","","0.1276","0.147","","","","","","1.026","","","","has coordinates,has disorder","229921","2020-10-21","18:00:00",""
"7045999","10.081","0.0005","14.7993","0.0008","15.5138","0.0008","115.021","0.005","90.373","0.004","93.593","0.004","2091.8","0.2","150.03","0.1","150.03","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H68 Mg N2 O Si4 -","- C28 H68 Mg N2 O Si4 -","- C56 H136 Mg2 N4 O2 Si8 -","2","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.0548","0.0419","","","0.0947","0.1014","","","","","","1.027","","","","has coordinates,has disorder","229921","2020-10-21","18:00:00",""
"7046000","13.9967","0.0004","13.9967","0.0004","14.5303","0.0006","90","","90","","90","","2846.6","0.16","100","0.01","100","0.01","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H60 Mg N2 Si4 -","- C72 H60 Mg N2 Si4 -","- C144 H120 Mg2 N4 Si8 -","2","0.25","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","1.54184","CuKα","","0.0319","0.0293","","","0.0753","0.077","","","","","","1.064","","","","has coordinates","229921","2020-10-21","18:00:00",""
"7046001","19.3956","0.0006","7.8668","0.0002","36.2303","0.0014","90","","90","","90","","5528.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H46 I Mg N O2 Si2 -","- C20 H46 I Mg N O2 Si2 -","- C160 H368 I8 Mg8 N8 O16 Si16 -","8","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.0569","0.0381","","","0.0733","0.082","","","","","","1.045","","","","has coordinates,has disorder","229921","2020-10-21","18:00:00",""
"7046002","20.5592","0.0005","16.2479","0.0007","26.1021","0.0008","90","","90","","90","","8719.2","0.5","150.03","0.1","150.03","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H84 Ca N2 Si4 -","- C36 H84 Ca N2 Si4 -","- C288 H672 Ca8 N16 Si32 -","8","1","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.1177","0.0589","","","0.1089","0.1383","","","","","","1.012","","","","has coordinates","229921","2020-10-21","18:00:00",""
"7046003","12.0018","0.0005","17.341","0.0007","20.7079","0.0008","68.97","0.004","80.84","0.003","73.015","0.004","3840.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H72 Mg N2 Si4 -","- C30 H72 Mg N2 Si4 -","- C120 H288 Mg4 N8 Si16 -","4","2","","Leng, Ji-Dong; Goodwin, Conrad A. P.; Vitorica-Yrezabal, Iñigo J; Mills, David P.","Salt metathesis routes to homoleptic near-linear Mg(ii) and Ca(ii) bulky bis(silyl)amide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12526","12533","10.1039/c8dt00802g","","x-ray","0.71073","MoKα","","0.0764","0.0509","","","0.107","0.1226","","","","","","1.026","","","","has coordinates","229921","2020-10-21","18:00:00",""
"7046004","18.6232","0.0016","37.606","0.003","13.3441","0.0011","90","","90","","90","","9345.5","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Glutaramidinium decavanadate","tris(1,5-diaminopentane-1,5-diiminium) decavanadate","","- C30 H106 N24 O67 V20 -","- C30 H84 N24 O67 V20 -","- C120 H336 N96 O268 V80 -","4","1","","Parker, B. F.; Hohloch, S.; Pankhurst, J. R.; Zhang, Z.; Love, J. B.; Arnold, J.; Rao, L.","Interactions of vanadium(iv) with amidoxime ligands: redox reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","16","5695","5702","10.1039/c7dt04069e","","","0.71073","MoKα","","0.0427","0.039","","","0.0952","0.0974","","","","","","1.028","","","","has coordinates","229619","2020-10-21","18:00:00",""
"7046005","14.3251","0.0003","13.4264","0.0003","15.3146","0.0003","90","","99.177","0.001","90","","2907.82","0.11","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Cl2 N2 O P S2 -","- C29 H33 Cl2 N2 O P S2 -","- C116 H132 Cl8 N8 O4 P4 S8 -","4","1","","Soleimani, Ebrahim; Robertson, Katherine N.; Pye, Cory C.; Clyburne, Jason A. C.","Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS<sub>2</sub> (Ar = 4-CH<sub>3</sub>O-C<sub>6</sub>H<sub>4</sub>).","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6299","6303","10.1039/c8dt00457a","","","0.71073","MoKα","","0.046","0.0339","","","0.082","0.0884","","","","","","1.033","","","","has coordinates","229877","2020-10-21","18:00:00",""
"7046006","34.664","0.005","13.266","0.002","15.692","0.003","90","","105.515","0.002","90","","6953","2","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H98 N4 O2 P2 S4 -","- C75 H98 N4 O2 P2 S4 -","- C300 H392 N16 O8 P8 S16 -","4","0.5","","Soleimani, Ebrahim; Robertson, Katherine N.; Pye, Cory C.; Clyburne, Jason A. C.","Homolytic cleavage of Lawesson's reagent: N-heterocyclic carbene complexes of ArPS<sub>2</sub> (Ar = 4-CH<sub>3</sub>O-C<sub>6</sub>H<sub>4</sub>).","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6299","6303","10.1039/c8dt00457a","","","0.71073","MoKα","","0.1089","0.0515","","","0.0982","0.1169","","","","","","1.011","","","","has coordinates","229877","2020-10-21","18:00:00",""
"7046007","52.0046","0.0017","5.9991","0.0002","21.5105","0.0008","90","","90.359","0.002","90","","6710.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H86 Cu2 N4 O15 -","- C72 H86 Cu2 N4 O15 -","- C288 H344 Cu8 N16 O60 -","4","0.5","","Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina","Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6479","6493","10.1039/c8dt00645h","","","0.71073","MoKα","","0.0898","0.0472","","","0.0984","0.1338","","","","","","1.037","","","","has coordinates","229873","2020-10-21","18:00:00",""
"7046008","11.7498","0.0005","10.8664","0.0005","15.2007","0.0008","90","","105","0.002","90","","1874.66","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H40 Cu N2 O8 -","- C42 H40 Cu N2 O8 -","- C84 H80 Cu2 N4 O16 -","2","0.5","","Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina","Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6479","6493","10.1039/c8dt00645h","","","0.71073","MoKα","","0.0387","0.033","","","0.0856","0.0925","","","","","","1.092","","","","has coordinates","229873","2020-10-21","18:00:00",""
"7046009","12.9562","0.0006","15.7183","0.0007","16.1429","0.0007","78.243","0.002","71.856","0.002","66.888","0.002","2860.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C121.5 H106 Cu3 N6 O21.5 -","- C121.5 H106 Cu3 N6 O21.5 -","- C121.5 H106 Cu3 N6 O21.5 -","1","0.5","","Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina","Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6479","6493","10.1039/c8dt00645h","","","0.71073","MoKα","","0.1277","0.0832","","","0.2201","0.2534","","","","","","1.017","","","","has coordinates,has disorder","229873","2020-10-21","18:00:00",""
"7046010","8.4342","0.0003","8.6978","0.0003","18.9953","0.0007","90","","96.953","0.002","90","","1383.23","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cu N2 O8 -","- C32 H28 Cu N2 O8 -","- C64 H56 Cu2 N4 O16 -","2","0.5","","Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina","Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6479","6493","10.1039/c8dt00645h","","","0.71073","MoKα","","0.0435","0.0316","","","0.0715","0.076","","","","","","1.044","","","","has coordinates","229873","2020-10-21","18:00:00",""
"7046011","13.6289","0.0006","25.4524","0.0013","34.1595","0.0017","90","","92.453","0.001","90","","11838.7","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H56 Cu2 N4 O9 -","- C71 H56 Cu2 N4 O9 -","- C568 H448 Cu16 N32 O72 -","8","1","","Soldevila-Sanmartín, Joan; Calvet, Teresa; Font-Bardia, Merce; Domingo, Concepción; Ayllón, José A; Pons, Josefina","Modulating p-hydroxycinnamate behavior as a ditopic linker or photoacid in copper(ii) complexes with an auxiliary pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6479","6493","10.1039/c8dt00645h","","","0.71073","MoKα","","0.0709","0.0404","","","0.0769","0.0865","","","","","","1.024","","","","has coordinates","229873","2020-10-21","18:00:00",""
"7046012","11.9096","0.0006","12.5269","0.0007","17.0352","0.001","83.424","0.004","81.197","0.005","69.805","0.004","2351.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H76 Fe4 N14 O27 -","- C80 H76 Fe4 N14 O27 -","- C80 H76 Fe4 N14 O27 -","1","0.5","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","1.54184","CuKα","","0.1071","0.0702","","","0.1676","0.1813","","","","","","0.974","","","","has coordinates,has disorder","229546","2020-10-21","18:00:00",""
"7046013","9.474","0.0004","17.7982","0.0006","9.7057","0.0004","90","","97.427","0.001","90","","1622.85","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cmpd_6","","","- C28 H28 Co3 N16 O8 -","- C28 H28 Co3 N16 O8 -","- C56 H56 Co6 N32 O16 -","2","0.5","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","0.71073","MoKα","","0.0466","0.0335","","","0.0791","0.0851","","","","","","1.024","","","","has coordinates,has disorder","229546","2020-10-21","18:00:00",""
"7046014","13.0791","0.0005","8.4696","0.0003","14.1012","0.0005","90","","90.092","0.001","90","","1562.05","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cmpd_3","","","- C15 H19 Cl N2 Ni O5 -","- C15 H19 Cl N2 Ni O5 -","- C60 H76 Cl4 N8 Ni4 O20 -","4","1","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","0.71073","MoKα","","0.033","0.0283","","","0.0645","0.0667","","","","","","1.077","","","","has coordinates","229546","2020-10-21","18:00:00",""
"7046015","13.1024","0.0005","8.5218","0.0003","14.1371","0.0006","90","","90.382","0.001","90","","1578.46","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cmpd_2","","","- C15 H19 Cl Co N2 O5 -","- C15 H19 Cl Co N2 O5 -","- C60 H76 Cl4 Co4 N8 O20 -","4","1","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","0.71073","MoKα","","0.0363","0.0286","","","0.0649","0.0682","","","","","","1.055","","","","has coordinates","229546","2020-10-21","18:00:00",""
"7046016","11.0694","0.0005","9.1258","0.0004","13.8053","0.0006","90","","91.676","0.002","90","","1393.98","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","cmpd_4","","","- C14 H15 Cl N2 O4 Zn -","- C14 H15 Cl N2 O4 Zn -","- C56 H60 Cl4 N8 O16 Zn4 -","4","1","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","0.71073","MoKα","","0.0354","0.0267","","","0.0589","0.0623","","","","","","1.038","","","","has coordinates","229546","2020-10-21","18:00:00",""
"7046017","13.1683","0.0005","8.5529","0.0003","14.3906","0.0006","90","","91.695","0.002","90","","1620.06","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cmpd_1","","","- C15 H19 Cl Mn N2 O5 -","- C15 H19 Cl Mn N2 O5 -","- C60 H76 Cl4 Mn4 N8 O20 -","4","1","","Saleem, Ayaan; Kobielska, Paulina A.; Harms, Klaus; Katsikogianni, Maria G.; Telford, Richard; Novitchi, Ghenadie; Nayak, Sanjit","Transition metal complexes of a versatile polyalkoxy oxazolidine-based ligand derived from in situ cyclization.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6156","6165","10.1039/c7dt04634k","","","0.71073","MoKα","","0.0379","0.0291","","","0.066","0.0696","","","","","","1.034","","","","has coordinates,has disorder","229546","2020-10-21","18:00:00",""
"7046018","17.7696","0.0018","9.6825","0.001","22.947","0.002","90","","92.595","0.002","90","","3944.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 Fe N O2 -","- C24 H23 Fe N O2 -","- C192 H184 Fe8 N8 O16 -","8","2","","Zhang, Ming-Xing; Zhang, Jing; Yin, Jun; Hartl, František; Liu, Sheng Hua","Anodic electrochemistry of mono- and dinuclear aminophenylferrocene and diphenylaminoferrocene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6112","6123","10.1039/c8dt00584b","","","0.71073","MoKα","","0.0826","0.0443","","","0.1093","0.1266","","","","","","0.997","","","","has coordinates","229545","2020-10-21","18:00:00",""
"7046019","11.7964","0.001","14.234","0.002","14.7093","0.0012","106.465","0.002","111.035","0.001","104.122","0.002","2039.2","0.4","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H51 Cl6 Ir3 N4 -","- C34 H49 Cl4 Ir3 N4 -","- C68 H98 Cl8 Ir6 N8 -","2","1","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","0.71073","MoKα","","0.0567","0.0431","","","0.1559","0.2022","","","","","","1.1","","","","has coordinates","229875","2020-10-21","18:00:00",""
"7046020","17.2426","0.001","12.2074","0.0007","24.909","0.0014","90","","100.386","0.002","90","","5157.1","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H110 F12 Ir6 N8 O24 S4 -","- C78 H98 F12 Ir6 N8 O24 S4 -","- C156 H196 F24 Ir12 N16 O48 S8 -","2","0.5","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","1.34138","GaKα","","0.0541","0.043","","","0.11","0.1177","","","","","","1.039","","","","has coordinates,has disorder","229875","2020-10-21","18:00:00",""
"7046021","14.2389","0.0011","20.1647","0.0016","19.0241","0.0015","90","","103.242","0.001","90","","5317","0.7","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H57 Cl3 F3 Ir3 N2 O11 S -","- C46 H49 Cl3 F3 Ir3 N2 O10 S -","- C184 H196 Cl12 F12 Ir12 N8 O40 S4 -","4","1","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","0.71073","MoKα","","0.0466","0.0323","","","0.0926","0.1074","","","","","","0.942","","","","has coordinates,has disorder","229875","2020-10-21","18:00:00",""
"7046022","16.9993","0.0007","22.0621","0.001","28.6608","0.0012","90","","91.725","0.002","90","","10744.1","0.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C90 H130 F12 Ir6 N4 O34 S4 -","- C86 H104 F12 Ir6 N4 O26 S4 -","- C344 H416 F48 Ir24 N16 O104 S16 -","4","0.5","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","1.34138","GaKα","","0.0757","0.0625","","","0.176","0.1879","","","","","","1.084","","","","has coordinates,has disorder","229875","2020-10-21","18:00:00",""
"7046023","14.02","0.002","24.957","0.004","16.397","0.002","90","","98.073","0.002","90","","5680.4","1.4","203","2","203","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H124 Cl4 F12 Ir6 N8 O27 S4 -","- C84 H98 Cl4 F12 Ir6 N8 O24 S4 -","- C168 H196 Cl8 F24 Ir12 N16 O48 S8 -","2","0.5","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","0.71073","MoKα","","0.1148","0.0539","","","0.143","0.1918","","","","","","0.932","","","","has coordinates,has disorder","229875","2020-10-21","18:00:00",""
"7046024","17.8224","0.0019","21.279","0.002","29.878","0.003","71.018","0.002","84.763","0.002","88.326","0.002","10670.1","1.9","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C87 H125 F12 Ir6 N7 O29 S4 -","- C82.5 H101 F12 Ir6 N7 O23 S4 -","- C330 H404 F48 Ir24 N28 O92 S16 -","4","2","","Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin","Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6378","6385","10.1039/c8dt00461g","","","0.71073","MoKα","","0.1207","0.0721","","","0.2016","0.2637","","","","","","1.029","","","","has coordinates,has disorder","229875","2020-10-21","18:00:00",""
"7046025","6.8108","0.0003","10.4039","0.0004","27.3603","0.0011","90.748","0.001","96.532","0.001","106.531","0.001","1844.42","0.13","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Au2 Fe2 O2 P2 -","- C38 H48 Au2 Fe2 O2 P2 -","- C76 H96 Au4 Fe4 O4 P4 -","2","1","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","x-ray","0.71073","MoKα","K-L~3~","0.03","0.0257","","","0.0632","0.0714","","","","","","1.304","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046026","13.8716","0.0013","11.605","0.0011","22.12","0.002","90","","90","","90","","3560.9","0.6","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Au Fe P -","- C18 H24 Au Fe P -","- C144 H192 Au8 Fe8 P8 -","8","1","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","x-ray","0.71073","MoKα","K-L~3~","0.0207","0.0159","","","0.0326","0.0339","","","","","","1.032","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046027","22.426","0.002","9.0304","0.0008","19.1951","0.0018","90","","99.254","0.002","90","","3836.7","0.6","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Au P -","- C24 H24 Au P -","- C192 H192 Au8 P8 -","8","1","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","","0.71073","MoKα","","0.0142","0.0131","","","0.03","0.0304","","","","","","1.095","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046028","13.69972","0.00011","8.58706","0.00006","18.66191","0.00014","90","","107.154","0.0009","90","","2097.73","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","1","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","x-ray","0.71072","MoKα","","0.0243","0.02","","","0.0478","0.0499","","","","","","1.064","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046029","9.97212","0.00008","13.96926","0.00013","32.1775","0.0002","86.4576","0.0006","81.5703","0.0006","69.9495","0.0008","4164.94","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H48 Au2 O2 P2 -","- C50 H48 Au2 O2 P2 -","- C200 H192 Au8 O8 P8 -","4","2","","Głodek, Marta; Makal, Anna; Paluch, Piotr; Kadziołka-Gaweł, Mariola; Kobayashi, Yasuhiro; Zakrzewski, Janusz; Plażuk, Damian","(Ar-CO-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au and (Ar-C[triple bond, length as m-dash]C)(PEt<sub>3</sub>)Au complexes bearing pyrenyl and ferrocenyl groups: synthesis, structure, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6702","6712","10.1039/c8dt01061g","","x-ray","0.71072","MoKα","","0.0231","0.0206","","","0.0428","0.0436","","","","","","1.171","","","","has coordinates","229612","2020-10-21","18:00:00",""
"7046030","11.1067","0.0012","8.8238","0.0011","22.6234","0.0019","90","","94.21","0.007","90","","2211.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Al2 Li2 N2 O2 -","- C46 H54 Al2 Li2 N2 O2 -","- C92 H108 Al4 Li4 N4 O4 -","2","0.5","","García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G.","Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6499","6506","10.1039/c8dt00835c","","x-ray","0.71073","MoKα","","0.1097","0.0546","","","0.1401","0.1609","","","","","","0.976","","","","has coordinates","229871","2020-10-21","18:00:00",""
"7046031","20.053","0.003","11.5534","0.0014","20.4001","0.0016","90","","90.391","0.01","90","","4726.2","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H62 Al K N2 O2 -","- C52 H62 Al K N2 O2 -","- C208 H248 Al4 K4 N8 O8 -","4","1","","García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G.","Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6499","6506","10.1039/c8dt00835c","","x-ray","0.71073","MoKα","","0.0971","0.0528","","","0.1317","0.154","","","","","","1.059","","","","has coordinates","229871","2020-10-21","18:00:00",""
"7046032","13.431","0.0011","13.431","0.0011","57.55","0.004","90","","90","","120","","8990.7","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C64 H83 Al K N3 O3 -","- C58 H68.9997 Al K N3 O3 -","- C348 H413.998 Al6 K6 N18 O18 -","6","0.333333","","García-Valle, Francisco M; Tabernero, Vanessa; Cuenca, Tomás; Cano, Jesús; Mosquera, Marta E. G.","Schiff-base -ate derivatives with main group metals: generation of a tripodal aluminate metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6499","6506","10.1039/c8dt00835c","","x-ray","0.71073","MoKα","","0.0901","0.0618","","","0.1805","0.1995","","","","","","1.039","","","","has coordinates,has disorder","229871","2020-10-21","18:00:00",""
"7046033","14.304","0.005","15.457","0.004","18.237","0.005","90","","110.13","0.02","90","","3786","2","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H55 B10 Cl2 Fe Li N2 O6 -","- C21 H55 B10 Cl2 Fe Li N2 O6 -","- C84 H220 B40 Cl8 Fe4 Li4 N8 O24 -","4","1","","Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Beltrán-Leiva, Maria J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T.","Three new types of transition metal carboranylamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6666","6671","10.1039/c8dt01064a","","","0.71073","MoKα","","0.0561","0.0364","","","0.0734","0.0787","","","","","","0.95","","","","has coordinates","229613","2020-10-21","18:00:00",""
"7046034","9.4087","0.0004","17.8661","0.0008","16.6682","0.0007","90","","93.737","0.003","90","","2795.9","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H44 B10 Mo N2 O4 -","- C19 H44 B10 Mo N2 O4 -","- C76 H176 B40 Mo4 N8 O16 -","4","1","","Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Beltrán-Leiva, Maria J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T.","Three new types of transition metal carboranylamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6666","6671","10.1039/c8dt01064a","","","0.71073","MoKα","","0.0514","0.0358","","","0.0777","0.0833","","","","","","1.024","","","","has coordinates,has disorder","229613","2020-10-21","18:00:00",""
"7046035","10.7605","0.0004","19.0431","0.0007","16.0549","0.0006","90","","92.892","0.003","90","","3285.7","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H90 B20 Cl6 Mn4 N4 O5 -","- C38 H90 B20 Cl6 Mn4 N4 O5 -","- C76 H180 B40 Cl12 Mn8 N8 O10 -","2","0.5","","Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Beltrán-Leiva, Maria J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T.","Three new types of transition metal carboranylamidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6666","6671","10.1039/c8dt01064a","","","0.71073","MoKα","","0.0446","0.0331","","","0.0721","0.0757","","","","","","1.02","","","","has coordinates","229613","2020-10-21","18:00:00",""
"7046036","8.1369","0.0003","17.7472","0.0009","20.0446","0.0009","90","","99.596","0.003","90","","2854.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F9 N3 O6 V -","- C24 H21 F9 N3 O6 V -","- C96 H84 F36 N12 O24 V4 -","4","1","","Ojelere, Olusola; Graf, David; Ludwig, Tim; Vogt, Nicholas; Klein, Axel; Mathur, Sanjay","Reductive transformation of V(iii) precursors into vanadium(ii) oxide nanowires.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6842","6849","10.1039/c8dt00848e","","","0.71073","MoKα","","0.0887","0.0504","","","0.1346","0.1559","","","","","","1.023","","","","has coordinates","229605","2020-10-21","18:00:00",""
"7046037","9.3944","0.0011","10.6399","0.0013","13.4756","0.0015","87.461","0.009","73.13","0.009","82.194","0.009","1277","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","V(PyTFP)3","","","- C24 H15 F9 N3 O3 V -","- C24 H15 F9 N3 O3 V -","- C48 H30 F18 N6 O6 V2 -","2","1","","Ojelere, Olusola; Graf, David; Ludwig, Tim; Vogt, Nicholas; Klein, Axel; Mathur, Sanjay","Reductive transformation of V(iii) precursors into vanadium(ii) oxide nanowires.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6842","6849","10.1039/c8dt00848e","","","0.71073","MoKα","","0.1066","0.0745","","","0.2285","0.3039","","","","","","1.094","","","","has coordinates","229605","2020-10-21","18:00:00",""
"7046038","9.5584","0.0018","10.2431","0.0019","14.555","0.003","73.757","0.015","88.851","0.015","66.864","0.014","1251.6","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 F9 N6 O3 V -","- C21 H12 F9 N6 O3 V -","- C42 H24 F18 N12 O6 V2 -","2","1","","Ojelere, Olusola; Graf, David; Ludwig, Tim; Vogt, Nicholas; Klein, Axel; Mathur, Sanjay","Reductive transformation of V(iii) precursors into vanadium(ii) oxide nanowires.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6842","6849","10.1039/c8dt00848e","","","0.71073","MoKα","","0.2513","0.1362","","","0.3886","0.4433","","","","","","1.236","","","","has coordinates,has disorder","229605","2020-10-21","18:00:00",""
"7046039","12.5151","0.0005","15.2489","0.0008","21.081","0.0007","103.081","0.002","98.872","0.004","106.795","0.005","3646","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","trifluoromethyl [76]fullerene","","- C104 H16 F42 -","- C104 H8 F42 -","- C208 H16 F84 -","2","1","","Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.","Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6898","6902","10.1039/c8dt00984h","","","0.895","synchrotron","","0.0857","0.0589","","","0.1352","0.1476","","","","","","1.004","","","","has coordinates,has disorder","229704","2020-10-21","18:00:00",""
"7046040","10.06","0.001","14.746","0.001","22.431","0.002","107.86","0.01","91.9","0.01","105.28","0.01","3031.6","0.5","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","non-IPR trifluoromethyl-difluoro[76]fullerene","","- C90 F44 -","- C90 F44 -","- C180 F88 -","2","1","","Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.","Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6898","6902","10.1039/c8dt00984h","","","0.895","synchrotron","","0.2849","0.1391","","","0.3092","0.3409","","","","","","1.189","","","","has coordinates","229704","2020-10-21","18:00:00",""
"7046041","21.606","0.002","15.048","0.001","24.002","0.002","90","","95.32","0.01","90","","7770.1","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","hexadeca(trifluoromethyl)-hexafluoro-[76]fullerene","","- C108 H20 F54 -","- C108 H20 F54 -","- C432 H80 F216 -","4","1","","Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.","Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6898","6902","10.1039/c8dt00984h","","","0.8266","synchrotron","","0.1571","0.0649","","","0.1239","0.1417","","","","","","1.001","","","","has coordinates","229704","2020-10-21","18:00:00",""
"7046042","22.473","0.002","9.962","0.001","28.182","0.003","90","","107.717","0.01","90","","6010","1.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","non-IPT trifluoromethyl[76]fullerene","","- C90 F42 -","- C90 F42 -","- C360 F168 -","4","1","","Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.","Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6898","6902","10.1039/c8dt00984h","","","0.895","synchrotron","","0.3501","0.1074","","","0.2113","0.273","","","","","","0.78","","","","has coordinates","229704","2020-10-21","18:00:00",""
"7046043","12.586","0.001","15.281","0.001","21.008","0.002","103.46","0.006","99.61","0.008","107.79","0.01","3615.8","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","trifluoromethyl/fluoro [76]fullerene","","- C99.8 H11.2 F44 -","- C99.8 H11.2 F44 -","- C199.6 H22.4 F88 -","2","1","","Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I.","Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6898","6902","10.1039/c8dt00984h","","","0.895","synchrotron","","0.3077","0.134","","","0.2693","0.2955","","","","","","1.389","","","","has coordinates,has disorder","229704","2020-10-21","18:00:00",""
"7046044","25.3319","0.0014","16.6836","0.0008","31.1","0.0014","90","","99.847","0.005","90","","12950.1","1.1","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H165 Cr7 F6 N O34.5 Ti -","- C88 H165 Cr7 F6 N O34.5 Ti -","- C352 H660 Cr28 F24 N4 O138 Ti4 -","4","1","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","x-ray","0.71073","MoKα","","0.1757","0.096","","","0.2603","0.3268","","","","","","1.028","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046045","25.0563","0.0018","16.9637","0.0014","31.2329","0.0018","90","","99.553","0.005","90","","13091.4","1.6","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H168 Cr6 F5 N O35 Ti2 -","- C93 H168 Cr6 F5 N O35 Ti2 -","- C372 H672 Cr24 F20 N4 O140 Ti8 -","4","1","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","x-ray","0.71073","MoKα","","0.2125","0.1253","","","0.2418","0.2837","","","","","","1.086","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046046","17.7566","0.0003","42.1752","0.0006","18.6391","0.0003","90","","103.033","0.002","90","","13599","0.4","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H186 Cr6 F12 N2 O33 Th2 -","- C96 H186 Cr6 F12 N2 O33 Th2 -","- C384 H744 Cr24 F48 N8 O132 Th8 -","4","1","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","","1.54184","CuKα","","0.0904","0.0792","","","0.1818","0.1888","","","","","","1.11","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046047","33.1772","0.0007","32.7339","0.0008","13.1235","0.0003","90","","90","","90","","14252.4","0.6","150","0.02","150","0.02","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C102 H182 Cr6 F8 N O35 S U2 -","- C102 H182 Cr6 F8 N O35 S U2 -","- C408 H728 Cr24 F32 N4 O140 S4 U8 -","4","1","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","","1.54184","CuKα","","0.1202","0.0876","","","0.2226","0.2549","","","","","","1.039","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046048","35.4782","0.0004","29.7042","0.0003","24.7842","0.0004","90","","105.478","0.0014","90","","25171.7","0.6","150.02","0.1","150.02","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C90 H165 Cr6 F7 N2 O34 S Th -","- C90 H165 Cr6 F7 N2 O34 S Th -","- C720 H1320 Cr48 F56 N16 O272 S8 Th8 -","8","2","","Leng, Ji-Dong; Kostopoulos, Andreas K.; Isherwood, Liam H.; Ariciu, Ana-Maria; Tuna, Floriana; Vitórica-Yrezábal, Iñigo J; Pritchard, Robin G.; Whitehead, George F. S.; Timco, Grigore A.; Mills, David P.; Winpenny, Richard E. P.","Chromium chains as polydentate fluoride ligands for actinides and group IV metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6361","6369","10.1039/c8dt00803e","","x-ray","0.71073","MoKα","","0.1093","0.0578","","","0.1122","0.1343","","","","","","1.014","","","","has coordinates,has disorder","229864","2020-10-21","18:00:00",""
"7046049","15.417","0.003","17.147","0.003","17.717","0.003","85.669","0.004","64.721","0.004","67.499","0.004","3891","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Ag3 F18 N10 P3 -","- C40 H46 Ag3 F18 N10 P3 -","- C80 H92 Ag6 F36 N20 P6 -","2","1","","Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6742","6753","10.1039/c8dt00599k","","","0.71073","MoKα","","0.1629","0.0942","","","0.2509","0.2768","","","","","","1.096","","","","has coordinates","229608","2020-10-21","18:00:00",""
"7046050","7.3936","0.0008","14.3765","0.0015","14.9955","0.0015","73.907","0.001","87.751","0.002","87.243","0.002","1529.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Cu F6 N5 P -","- C32 H31 Cu F6 N5 P -","- C64 H62 Cu2 F12 N10 P2 -","2","1","","Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6742","6753","10.1039/c8dt00599k","","","0.71073","MoKα","","0.0583","0.0472","","","0.1386","0.1598","","","","","","1.09","","","","has coordinates","229608","2020-10-21","18:00:00",""
"7046051","13.511","0.002","19.725","0.003","21.95","0.003","90","","105.869","0.002","90","","5626.8","1.4","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H55.5 Ag Cu2 F18 N13 O0.25 P3 -","- C46 H54.537 Ag Cu2 F18 N13 O0.189 P3 -","- C184 H218.148 Ag4 Cu8 F72 N52 O0.756 P12 -","4","1","","Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6742","6753","10.1039/c8dt00599k","","","0.71073","MoKα","","0.0504","0.0384","","","0.0916","0.098","","","","","","1.015","","","","has coordinates,has disorder","229608","2020-10-21","18:00:00",""
"7046052","15.2058","0.0009","15.2084","0.0009","21.1536","0.0013","83.107","0.001","69.922","0.001","62.293","0.001","4063.1","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H80 Ag3 F18 N16 P3 -","- C76 H80 Ag3 F18 N16 P3 -","- C152 H160 Ag6 F36 N32 P6 -","2","1","","Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6742","6753","10.1039/c8dt00599k","","","0.71073","MoKα","","0.0709","0.0521","","","0.1495","0.1817","","","","","","1.059","","","","has coordinates,has disorder","229608","2020-10-21","18:00:00",""
"7046053","8.52","0.0007","20.6522","0.0016","14.1011","0.0011","90","","102.948","0.001","90","","2418.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu F6 N6 P -","- C22 H26 Cu F6 N6 P -","- C88 H104 Cu4 F24 N24 P4 -","4","1","","Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6742","6753","10.1039/c8dt00599k","","","0.71073","MoKα","","0.0647","0.0505","","","0.1335","0.1503","","","","","","1.069","","","","has coordinates,has disorder","229608","2020-10-21","18:00:00",""
"7046054","4.553","0.005","17.8","0.02","8.797","0.011","90","","90","","90","","712.9","1.4","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Bi2 F5 K O3 Se -","- Bi2 F5 K O3 Se -","- Bi8 F20 K4 O12 Se4 -","4","0.5","","Shi, Shuangshuang; Luo, Min; Lin, Chensheng; Ye, Ning","A cation size effect on the framework structures in ABi<sub>2</sub>SeO<sub>3</sub>F<sub>5</sub> (A = K and Rb): first examples of alkali metal bismuth selenite fluorides.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6598","6604","10.1039/c8dt00450a","","","0.71073","MoKα","","0.0418","0.0385","","","0.0881","0.0903","","","","","","1.186","","","","has coordinates","229878","2020-10-21","18:00:00",""
"7046055","8.8419","0.0019","8.917","0.003","9.631","0.003","88.28","0.03","89.825","0.017","89.76","0.03","759","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Bi2 F5 O3 Rb Se -","- Bi2 F5 O3 Rb Se -","- Bi8 F20 O12 Rb4 Se4 -","4","2","","Shi, Shuangshuang; Luo, Min; Lin, Chensheng; Ye, Ning","A cation size effect on the framework structures in ABi<sub>2</sub>SeO<sub>3</sub>F<sub>5</sub> (A = K and Rb): first examples of alkali metal bismuth selenite fluorides.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6598","6604","10.1039/c8dt00450a","","","0.71073","MoKα","","0.0816","0.0589","","","0.1192","0.1298","","","","","","1.149","","","","has coordinates","229878","2020-10-21","18:00:00",""
"7046056","10.3771","0.0002","10.1982","0.0002","11.7698","0.0002","90","","90.162","0.002","90","","1245.57","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 Li4 -","- C28 H44 Li4 -","- C56 H88 Li8 -","2","1","","Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Dispersion forces play a role in (Me<sub>2</sub>IPr)Fe([double bond, length as m-dash]NAd)R<sub>2</sub> (Ad = adamantyl; R = <sup>neo</sup>Pe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6025","6030","10.1039/c7dt04145d","","x-ray","1.54184","CuKα","","0.0428","0.0425","","","0.112","0.1125","","","","","","1.07","","","","has coordinates","229543","2020-10-21","18:00:00",""
"7046057","10.4328","0.0004","20.1032","0.0007","17.3563","0.0006","90","","106.003","0.002","90","","3499.1","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Fe N4 -","- C38 H52 Fe N4 -","- C152 H208 Fe4 N16 -","4","1","","Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Dispersion forces play a role in (Me<sub>2</sub>IPr)Fe([double bond, length as m-dash]NAd)R<sub>2</sub> (Ad = adamantyl; R = <sup>neo</sup>Pe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6025","6030","10.1039/c7dt04145d","","","0.71073","MoKα","","0.0589","0.0371","","","0.0834","0.0949","","","","","","1.012","","","","has coordinates,has disorder","229543","2020-10-21","18:00:00",""
"7046058","18.2193","0.0012","14.0581","0.0007","9.3097","0.0006","90","","90","","90","","2384.5","0.2","223","2","223","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H40 Fe P2 -","- C19.988 H39.978 Fe P2 -","- C79.952 H159.912 Fe4 P8 -","4","0.5","","Cundari, Thomas R.; Jacobs, Brian P.; MacMillan, Samantha N.; Wolczanski, Peter T.","Dispersion forces play a role in (Me<sub>2</sub>IPr)Fe([double bond, length as m-dash]NAd)R<sub>2</sub> (Ad = adamantyl; R = <sup>neo</sup>Pe, 1-nor) insertions and Fe-R bond dissociation enthalpies (BDEs).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6025","6030","10.1039/c7dt04145d","","","0.71073","MoKα","","0.0467","0.041","","","0.1212","0.1282","","","","","","1.082","","","","has coordinates,has disorder","229543","2020-10-21","18:00:00",""
"7046059","8.4845","0.0004","42.119","0.002","9.4482","0.0005","90","","102.912","0.002","90","","3291","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 Au Br Cl3.01 N2 -","- C27 H53 Au Br1.0026 Cl2.9974 N2 -","- C108 H212 Au4 Br4.0104 Cl11.9896 N8 -","4","1","","Bridonneau, N.; Hippolyte, L.; Mercier, D.; Portehault, D.; Desage-El Murr, M; Marcus, P.; Fensterbank, L.; Chanéac, C; Ribot, F.","N-Heterocyclic carbene-stabilized gold nanoparticles with tunable sizes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6850","6859","10.1039/c8dt00416a","","","0.71073","MoKα","","0.0285","0.0264","","","0.0568","0.0574","","","","","","1.3","","","","has coordinates,has disorder","229611","2020-10-21","18:00:00",""
"7046060","9.1187","0.0002","10.1455","0.0003","39.2531","0.001","90","","90.211","0.001","90","","3631.43","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Au Br0.92 Cl3.08 N2 -","- C31 H55 Au Br0.931 Cl3.069 N2 -","- C124 H220 Au4 Br3.724 Cl12.276 N8 -","4","1","","Bridonneau, N.; Hippolyte, L.; Mercier, D.; Portehault, D.; Desage-El Murr, M; Marcus, P.; Fensterbank, L.; Chanéac, C; Ribot, F.","N-Heterocyclic carbene-stabilized gold nanoparticles with tunable sizes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6850","6859","10.1039/c8dt00416a","","","0.71073","MoKα","","0.0861","0.0676","","","0.1195","0.1241","","","","","","1.452","","","","has coordinates","229611","2020-10-21","18:00:00",""
"7046061","25.704","0.003","18.476","0.002","13.058","0.0009","90","","98.915","0.003","90","","6126.4","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H63 N9 -","- C72 H63 N9 -","- C288 H252 N36 -","4","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Adarsh, Nayarassery N.; Ghosh, Pradyut","A hexa-quinoline based C<sub>3</sub>-symmetric chemosensor for dual sensing of zinc(ii) and PPi in an aqueous medium via chelation induced ""OFF-ON-OFF"" emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6819","6830","10.1039/c8dt00611c","","","0.71073","MoKα","","0.175","0.1207","","","0.2679","0.2966","","","","","","1.087","","","","has coordinates,has disorder","229609","2020-10-21","18:00:00",""
"7046062","12.002","0.002","21.828","0.004","17.522","0.003","90","","103.674","0.007","90","","4460.3","1.3","106","2","106","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H63 Cl3 N12 O26 Zn3 -","- C72 H63 Cl3 N12 O26 Zn3 -","- C144 H126 Cl6 N24 O52 Zn6 -","2","1","","Sinha, Sanghamitra; Chowdhury, Bijit; Adarsh, Nayarassery N.; Ghosh, Pradyut","A hexa-quinoline based C<sub>3</sub>-symmetric chemosensor for dual sensing of zinc(ii) and PPi in an aqueous medium via chelation induced ""OFF-ON-OFF"" emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6819","6830","10.1039/c8dt00611c","","","0.71073","MoKα","","0.1673","0.1024","","","0.2381","0.2763","","","","","","1.209","","","","has coordinates,has disorder","229609","2020-10-21","18:00:00",""
"7046063","14.609","0.0015","8.5274","0.0007","20.1877","0.0013","90","","102.426","0.007","90","","2456","0.4","103.5","","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 F Na3 O9 Zn2 -","- C3 F Na3 O9 Zn2 -","- C36 F12 Na36 O108 Zn24 -","12","1.5","","Tang, Changcheng; Jiang, Xingxing; Guo, Shu; Xia, Mingjun; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Synthesis, crystal structure and optical properties of a new fluorocarbonate with an interesting sandwich-like structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6464","6469","10.1039/c8dt00760h","","","0.71073","MoKα","","0.0526","0.0438","","","0.1084","0.115","","","","","","1.132","","","","has coordinates,has disorder","229881","2020-10-21","18:00:00",""
"7046064","8.5434","0.0012","13.9045","0.0012","14.0175","0.0016","90","","106.779","0.013","90","","1594.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl3 N3 Sc -","- C15 H11 Cl3 N3 Sc -","- C60 H44 Cl12 N12 Sc4 -","4","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","","0.71073","MoKα","","0.1511","0.0704","","","0.1156","0.1446","","","","","","1.031","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046065","7.5645","0.0007","9.9623","0.001","12.1261","0.0011","70.174","0.009","83.413","0.007","73.153","0.008","822.62","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 Cl3 N3 O Y -","- C15 H11 Cl3 N3 O Y -","- C30 H22 Cl6 N6 O2 Y2 -","2","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","x-ray","0.71073","MoKα","","0.0827","0.0531","","","0.1168","0.1299","","","","","","1.029","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046066","9.7676","0.0004","9.9809","0.0004","10.3396","0.0003","94.048","0.003","109.768","0.003","113.865","0.004","841.92","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl6 La2 N6 O2 -","- C30 H26 Cl6 La2 N6 O2 -","- C30 H26 Cl6 La2 N6 O2 -","1","0.5","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","","0.71075","MoKα","","0.0294","0.0249","","","0.057","0.0586","","","","","","0.976","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046067","11.8495","0.001","9.2438","0.0006","10.9099","0.0007","90","","118.852","0.005","90","","1046.67","0.14","100","2","100","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C12 H30 Cl F3 N3 Sc Sn -","- C12 H30 Cl F3 N3 Sc Sn -","- C24 H60 Cl2 F6 N6 Sc2 Sn2 -","2","0.5","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","","0.71073","MoKα","","0.0275","0.0271","","","0.0639","0.0641","","","","","","1.072","","","","has coordinates,has disorder","229553","2020-10-21","18:00:00",""
"7046068","11.9938","0.0009","6.8826","0.0007","15.8721","0.0019","90","","90.292","0.008","90","","1310.2","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 Cl F2 N3 Sc -","- C9 H21 Cl F2 N3 Sc -","- C36 H84 Cl4 F8 N12 Sc4 -","4","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","x-ray","0.71075","MoKα","","0.1369","0.0724","","","0.1659","0.2063","","","","","","0.982","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046069","10.5669","0.0005","15.9059","0.0007","11.7484","0.0006","90","","90.139","0.005","90","","1974.62","0.16","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 I3 N4 Y -","- C11 H24 I3 N4 Y -","- C44 H96 I12 N16 Y4 -","4","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","x-ray","0.71073","MoKα","","0.0522","0.0391","","","0.0652","0.0686","","","","","","1.004","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046070","8.6352","0.0003","8.6395","0.0003","23.7313","0.0008","90.16","0.003","90.941","0.003","108.966","0.003","1674.04","0.1","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H45 I4 N7 O Y2 -","- C20 H45 I4 N7 O Y2 -","- C40 H90 I8 N14 O2 Y4 -","2","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","x-ray","0.71073","MoKα","","0.0432","0.0354","","","0.082","0.0847","","","","","","1.118","","","","has coordinates","229553","2020-10-21","18:00:00",""
"7046071","7.5588","0.0005","10.0003","0.0007","12.0814","0.0009","69.953","0.007","82.993","0.006","72.341","0.006","817.31","0.11","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl3 Lu N3 O -","- C15 H13 Cl3 Lu N3 O -","- C30 H26 Cl6 Lu2 N6 O2 -","2","1","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","x-ray","0.71073","MoKα","","0.051","0.0434","","","0.1015","0.1061","","","","","","1.019","","","","has coordinates","288248","2023-12-12","12:55:27",""
"7046072","9.7817","0.0009","23.4602","0.0019","11.8961","0.0008","90","","103.885","0.002","90","","2650.2","0.4","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","1","","Vicente, Ana I.; Ferreira, Liliana P.; Carvalho, Maria de Deus; Rodrigues, Vítor H N; Dîrtu, Marinela M; Garcia, Yann; Calhorda, Maria José; Martinho, Paulo N.","Selecting the spin crossover profile with controlled crystallization of mononuclear Fe(iii) polymorphs.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7013","7019","10.1039/c8dt00227d","","","0.71073","MoKα","","0.0482","0.0298","","","0.0664","0.0723","","","","","","1.022","","","","has coordinates","229697","2020-10-21","18:00:00",""
"7046073","9.9692","0.0002","23.6219","0.0006","12.038","0.0003","90","","103.397","0.0013","90","","2757.7","0.11","297","2","297","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","1","","Vicente, Ana I.; Ferreira, Liliana P.; Carvalho, Maria de Deus; Rodrigues, Vítor H N; Dîrtu, Marinela M; Garcia, Yann; Calhorda, Maria José; Martinho, Paulo N.","Selecting the spin crossover profile with controlled crystallization of mononuclear Fe(iii) polymorphs.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7013","7019","10.1039/c8dt00227d","","","0.71073","MoKα","","0.0852","0.0541","","","0.1531","0.1761","","","","","","1.03","","","","has coordinates","229697","2020-10-21","18:00:00",""
"7046074","12.031","0.004","14.432","0.004","19.966","0.006","100.819","0.004","99.989","0.004","95.851","0.004","3320.9","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16173z","","","- C69 H83 B Cr2 N O6 P5 -","- C69 H83 B Cr2 N O6 P5 -","- C138 H166 B2 Cr4 N2 O12 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0691","0.0454","","","0.1059","0.1195","","","","","","1.045","","","","has coordinates","229552","2020-10-21","18:00:00",""
"7046075","13.399","0.005","14.737","0.006","16.319","0.007","93.923","0.005","104.751","0.005","91.952","0.005","3104","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16168z","","","- C66 H83 B Cr N O3 P5 -","- C66 H83 B Cr N O3 P5 -","- C132 H166 B2 Cr2 N2 O6 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0539","0.0395","","","0.089","0.0974","","","","","","1.005","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046076","12.067","0.005","14.62","0.006","20.03","0.009","100.676","0.005","100.089","0.005","95.678","0.005","3387","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","16177z","","","- C69 H83 B Mo N O6 P5 W -","- C69 H83 B Mo N O6 P5 W -","- C138 H166 B2 Mo2 N2 O12 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0536","0.0368","","","0.0746","0.0819","","","","","","1.054","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046077","12.069","0.003","14.458","0.004","19.962","0.005","100.665","0.003","99.911","0.003","95.693","0.003","3340.9","1.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","16183zz","","","- C69 H83 B Cr N O6 P5 W -","- C69 H83 B Cr N O6 P5 W -","- C138 H166 B2 Cr2 N2 O12 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0296","0.0249","","","0.0571","0.0594","","","","","","1.033","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046078","13.8107","0.0008","14.2859","0.0009","21.0859","0.0011","72.168","0.002","81.547","0.002","81.991","0.002","3897.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","17158z","","","- C86 H69 B F6 N O3 P5 W -","- C86 H69 B F6 N O3 P5 W -","- C172 H138 B2 F12 N2 O6 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.049","0.036","","","0.0737","0.0772","","","","","","1.074","","","","has coordinates","229552","2020-10-21","18:00:00",""
"7046079","13.8112","0.0005","14.6992","0.0005","21.427","0.0008","71.303","0.001","80.271","0.001","80.195","0.001","4029.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","17173","","","- C94 H86.43 B Cr F6 N O5 P5 -","- C93.996 H86.41 B Cr F6 N O4.999 P5 -","- C187.992 H172.82 B2 Cr2 F12 N2 O9.998 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0754","0.0504","","","0.1154","0.1298","","","","","","1.038","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046080","12.1041","0.0018","18.327","0.003","38.204","0.005","90","","92.754","0.004","90","","8465","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","17144z","","","- C100 H96 B2 P6 Tl2 -","- C100 H96 B2 P6 Tl2 -","- C400 H384 B8 P24 Tl8 -","4","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0543","0.047","","","0.0917","0.0937","","","","","","1.257","","","","has coordinates","229552","2020-10-21","18:00:00",""
"7046081","13.2825","0.0006","13.724","0.0006","21.6196","0.0011","93.123","0.002","96.668","0.002","91.892","0.002","3905.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","17175_0m_a","","","- C92.5 H89.89 B N O4 P5 W -","- C92.5 H89.89 B N O4 P5 W -","- C185 H179.78 B2 N2 O8 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0768","0.0496","","","0.0884","0.0962","","","","","","1.067","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046082","10.1861","0.0004","15.8699","0.0009","25.4574","0.0011","90","","94.474","0.002","90","","4102.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","17163z","","","- C47 H39 B F6 P3 Tl -","- C47 H39 B F6 P3 Tl -","- C188 H156 B4 F24 P12 Tl4 -","4","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0448","0.029","","","0.0566","0.0609","","","","","","1.019","","","","has coordinates","229552","2020-10-21","18:00:00",""
"7046083","13.241","0.003","13.693","0.003","21.408","0.004","92.848","0.008","96.03","0.007","92.184","0.008","3851.5","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","17164z","","","- C92.5 H90.08 B Cr N O4 P5 -","- C92.5 H90.08 B Cr N O4 P5 -","- C185 H180.16 B2 Cr2 N2 O8 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.075","0.0536","","","0.1168","0.1287","","","","","","1.088","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046084","12.019","0.004","14.605","0.005","19.963","0.007","100.765","0.004","100.228","0.004","95.75","0.004","3355","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","16175z","","","- C69 H83 B Cr N O6 P5 W -","- C69 H83 B Cr N O6 P5 W -","- C138 H166 B2 Cr2 N2 O12 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0411","0.0328","","","0.077","0.0817","","","","","","1.039","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046085","13.389","0.008","14.789","0.008","16.369","0.009","94.448","0.007","104.751","0.007","92.076","0.007","3120","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16151a","","","- C66 H83 B Mo N O3 P5 -","- C66 H83 B Mo N O3 P5 -","- C132 H166 B2 Mo2 N2 O6 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0577","0.0407","","","0.0854","0.0939","","","","","","1.048","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046086","13.374","0.004","14.778","0.004","16.383","0.005","94.317","0.004","104.773","0.003","92.027","0.003","3117","1.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16185z","","","- C66 H83 B N O3 P5 W -","- C66 H83 B N O3 P5 W -","- C132 H166 B2 N2 O6 P10 W2 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0544","0.0394","","","0.0705","0.0767","","","","","","1.05","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046087","12.036","0.005","14.602","0.006","20.034","0.008","100.817","0.005","100.202","0.005","95.829","0.005","3370","2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","16178z","","","- C69 H83 B Cr Mo N O6 P5 -","- C69 H83 B Cr Mo N O6 P5 -","- C138 H166 B2 Cr2 Mo2 N2 O12 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0685","0.0442","","","0.0932","0.1051","","","","","","1.047","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046088","13.2924","0.0006","13.7468","0.0006","21.6431","0.001","93.002","0.002","96.659","0.002","92.057","0.002","3919.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92.5 H89.9 B Mo N O4 P5 -","- C92.5 H89.896 B Mo N O4 P5 -","- C185 H179.792 B2 Mo2 N2 O8 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0891","0.051","","","0.1026","0.1154","","","","","","1.024","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046089","13.799","0.0013","14.3427","0.0015","21.051","0.002","72.406","0.004","81.517","0.004","81.554","0.004","3904.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","17157zz","","","- C86 H69 B F6 Mo N O3 P5 -","- C86 H69 B F6 Mo N O3 P5 -","- C172 H138 B2 F12 Mo2 N2 O6 P10 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0553","0.0399","","","0.0894","0.0947","","","","","","1.071","","","","has coordinates","229552","2020-10-21","18:00:00",""
"7046090","12.0622","0.0017","14.568","0.002","19.949","0.003","100.618","0.002","100.221","0.002","95.626","0.002","3359.7","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","16176z","","","- C69 H83 B N O6 P5 W2 -","- C69 H83 B N O6 P5 W2 -","- C138 H166 B2 N2 O12 P10 W4 -","2","1","","Fischer, Paul J.; Senthil, Shuruthi; Stephan, Jeremy T.; Swift, McKinley L; Storlie, Meghan D.; Chan, Emily T.; Vollmer, Matthew V.; Young, Victor G.","Inductive modulation of tris(phosphinomethyl)phenylborate donation at group VI metals via borate phenyl substituent modification.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6166","6176","10.1039/c8dt00703a","","","0.71073","MoKα","","0.0285","0.022","","","0.0493","0.0522","","","","","","1.026","","","","has coordinates,has disorder","229552","2020-10-21","18:00:00",""
"7046091","12.454","0.003","16.341","0.004","15.741","0.004","90","","112.102","0.004","90","","2968.1","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 F12 N7 P2 Pt -","- C21 H29 F12 N7 P2 Pt -","- C84 H116 F48 N28 P8 Pt4 -","4","1","","Horiuchi, Shinnosuke; Moon, Sangjoon; Sakuda, Eri; Ito, Akitaka; Arikawa, Yasuhiro; Umakoshi, Keisuke","U- to Z-shape isomerization in a Pt<sub>2</sub>Ag<sub>2</sub> framework containing pyridyl-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7113","7117","10.1039/c8dt01047a","","","0.71075","MoKα","","0.0363","0.0269","","","0.0547","0.0609","","","","","","1.031","","","","has coordinates","229904","2020-10-21","18:00:00",""
"7046092","13.402","0.002","29.139","0.005","16.427","0.003","90","","90","","90","","6415.1","1.9","93","","93","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H70 Ag2 F18 N15 P3 Pt2 -","- C48 H70 Ag2 F18 N15 P3 Pt2 -","- C192 H280 Ag8 F72 N60 P12 Pt8 -","4","1","","Horiuchi, Shinnosuke; Moon, Sangjoon; Sakuda, Eri; Ito, Akitaka; Arikawa, Yasuhiro; Umakoshi, Keisuke","U- to Z-shape isomerization in a Pt<sub>2</sub>Ag<sub>2</sub> framework containing pyridyl-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7113","7117","10.1039/c8dt01047a","","","0.71075","MoKα","","0.0716","0.0573","","","0.104","0.1129","","","","","","1.069","","","","has coordinates,has disorder","229904","2020-10-21","18:00:00",""
"7046093","13.5442","0.0009","16.524","0.0011","29.6856","0.0018","90","","90.7056","0.0011","90","","6643.3","0.7","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 Ag2 F12 N14 O3 P2 Pt2 -","- C51 H72 Ag2 F12 N14 O3 P2 Pt2 -","- C204 H288 Ag8 F48 N56 O12 P8 Pt8 -","4","1","","Horiuchi, Shinnosuke; Moon, Sangjoon; Sakuda, Eri; Ito, Akitaka; Arikawa, Yasuhiro; Umakoshi, Keisuke","U- to Z-shape isomerization in a Pt<sub>2</sub>Ag<sub>2</sub> framework containing pyridyl-NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7113","7117","10.1039/c8dt01047a","","","0.71075","MoKα","","0.0283","0.0257","","","0.0752","0.0773","","","","","","1.129","","","","has coordinates,has disorder","229904","2020-10-21","18:00:00",""
"7046094","14.1475","0.0006","11.7295","0.0005","11.9893","0.0005","90","","108.092","0.001","90","","1891.18","0.14","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","chloro-bis[2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O]-iron(III)","chloro-bis[2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O]-iron(III)","","- C20 H18 Cl Fe N4 O2 -","- C20 H18 Cl Fe N4 O2 -","- C80 H72 Cl4 Fe4 N16 O8 -","4","1","","Stanje, B.; Traar, P.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N C","Iron catalyzed oxidation of benzylic alcohols to benzoic acids.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6412","6420","10.1039/c8dt00819a","","","0.71073","MoKα","","0.0284","0.0254","","","0.0722","0.0747","","","","","","1.039","","","","has coordinates","229880","2020-10-21","18:00:00",""
"7046095","18.4514","0.001","19.5777","0.0011","20.149","0.0011","90","","90","","90","","7278.5","0.7","100","2","100","2","","","","","","","synthetical product","5","P b c a","-P 2ac 2ab","61","(m2-oxo)-bis(bis(2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O)-iron(III))","(m2-oxo)-bis(bis(2-(1-methyl-1H-pyrazol-3-yl)phenolato-N,O)-iron(III))","","- C40 H36 Fe2 N8 O5 -","- C40 H36 Fe2 N8 O5 -","- C320 H288 Fe16 N64 O40 -","8","1","","Stanje, B.; Traar, P.; Schachner, J. A.; Belaj, F.; Mösch-Zanetti, N C","Iron catalyzed oxidation of benzylic alcohols to benzoic acids.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6412","6420","10.1039/c8dt00819a","","","0.71073","MoKα","","0.0566","0.0355","","","0.0823","0.091","","","","","","1.01","","","","has coordinates","229880","2020-10-21","18:00:00",""
"7046096","10.7345","0.0004","7.9738","0.0003","18.3724","0.0008","90","","96.22","0.002","90","","1563.32","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O2 -","- C21 H16 N2 O2 -","- C84 H64 N8 O8 -","4","1","","Raya-Barón, Álvaro; Galdeano-Ruano, Carmen P; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; López-Ruiz, Rosalía; Romero-González, Roberto; Kuzu, Istemi; Fernández, Ignacio","A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7272","7281","10.1039/c8dt01123k","","","0.71073","MoKα","","0.0844","0.0498","","","0.1169","0.1317","","","","","","1.02","","","","has coordinates","229906","2020-10-21","18:00:00",""
"7046097","15.547","0.002","14.268","0.001","17.633","0.002","90","","115.42","0.01","90","","3532.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 Fe N4 O4.5 -","- C44 H34 Fe N4 O4.5 -","- C176 H136 Fe4 N16 O18 -","4","1","","Raya-Barón, Álvaro; Galdeano-Ruano, Carmen P; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; López-Ruiz, Rosalía; Romero-González, Roberto; Kuzu, Istemi; Fernández, Ignacio","A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7272","7281","10.1039/c8dt01123k","","","0.71073","MoKα","","0.1678","0.0717","","","0.1443","0.1791","","","","","","0.897","","","","has coordinates","229906","2020-10-21","18:00:00",""
"7046098","12.696","0.002","15.239","0.003","27.961","0.005","90","","90","","90","","5409.7","1.7","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H20 N4 O5 Zn -","- C29 H20 N4 O5 Zn -","- C232 H160 N32 O40 Zn8 -","8","1","","Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang; Zheng, He-Gen","A triphenylamine-functionalized luminescent sensor for efficient p-nitroaniline detection.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7222","7228","10.1039/c8dt01240g","","","0.71073","MoKα","","0.0851","0.0509","","","0.1345","0.1537","","","","","","1.023","","","","has coordinates,has disorder","229897","2020-10-21","18:00:00",""
"7046099","8.1976","0.0016","8.6395","0.0017","9.7726","0.0019","66.75","0.03","88.28","0.03","87.94","0.03","635.4","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Bi Cl3 N2 -","- C10 H8 Bi Cl3 N2 -","- C20 H16 Bi2 Cl6 N4 -","2","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0392","0.0319","","","0.0654","0.0684","","","","","","1.003","","","","has coordinates","229885","2020-10-21","18:00:00",""
"7046100","7.6526","0.0015","10.094","0.002","10.841","0.002","117.34","0.03","91.13","0.03","94.78","0.03","739.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Bi I3 N2 -","- C10 H8 Bi I3 N2 -","- C20 H16 Bi2 I6 N4 -","2","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0278","0.024","","","0.0485","0.0499","","","","","","1.051","","","","has coordinates","229885","2020-10-21","18:00:00",""
"7046101","8.0006","0.0016","9.1231","0.0018","10.094","0.002","114.97","0.03","92.83","0.03","90.59","0.03","666.7","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Bi Br3 N2 -","- C10 H8 Bi Br3 N2 -","- C20 H16 Bi2 Br6 N4 -","2","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0216","0.0189","","","0.0407","0.0415","","","","","","1.066","","","","has coordinates","229885","2020-10-21","18:00:00",""
"7046102","13.205","0.004","12.34","0.004","8.1926","0.0016","90","","121.97","0.03","90","","1132.5","0.7","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H38 Cl8 N8 Sm2 -","- C40 H37 Cl8 N8 Sm2 -","- C40 H37 Cl8 N8 Sm2 -","1","0.125","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0157","0.0157","","","0.0406","0.0406","","","","","","1.12","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046103","14.5387","0.0004","12.2326","0.0003","13.1136","0.0004","90","","107.701","0.001","90","","2221.79","0.11","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl4 N4 Tb -","- C20 H19 Cl4 N4 Tb -","- C80 H76 Cl16 N16 Tb4 -","4","0.5","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0193","0.0169","","","0.0414","0.0425","","","","","","1.094","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046104","8.7574","0.0007","11.1147","0.0009","14.6158","0.0012","82.744","0.001","78.574","0.001","70.628","0.001","1312.67","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Bi Cl4 N5 -","- C25 H21 Bi Cl4 N5 -","- C50 H42 Bi2 Cl8 N10 -","2","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0405","0.0345","","","0.0966","0.1057","","","","","","0.768","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046105","13.062","0.003","12.287","0.002","8.1125","0.0015","90","","121.421","0.005","90","","1111.1","0.4","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H19 Bi Cl4 N4 -","- C20 H19 Bi Cl4 N4 -","- C40 H38 Bi2 Cl8 N8 -","2","0.25","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0225","0.0223","","","0.0552","0.0554","","","","","","1.173","","","","has coordinates","229885","2020-10-21","18:00:00",""
"7046106","8.8374","0.0018","20.136","0.004","17.364","0.004","90","","92.75","0.03","90","","3086.4","1.1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(pyridinium)-catena-[tris(μ-(4,4'-bipyridyl-N,N')tetrachloropraseodymate 4,4'-bipyridine solvate]","","- C30 H26 Cl4 N6 Pr -","- C30 H26 Cl4 N6 Pr -","- C120 H104 Cl16 N24 Pr4 -","4","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0783","0.0443","","","0.074","0.0823","","","","","","1.01","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046107","10.0218","0.0009","24.14","0.002","11.8811","0.001","90","","113.732","0.001","90","","2631.3","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Bi Cl3 N2 -","- C10 H8 Bi Cl3 N2 -","- C80 H64 Bi8 Cl24 N16 -","8","1","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0431","0.0395","","","0.0994","0.102","","","","","","1.062","","","","has coordinates","229885","2020-10-21","18:00:00",""
"7046108","14.516","0.003","12.071","0.002","13.24","0.003","90","","105.64","0.03","90","","2234.1","0.8","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Cl4 Lu N4 -","- C20 H19 Cl4 Lu N4 -","- C80 H76 Cl16 Lu4 N16 -","4","0.5","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0187","0.0177","","","0.042","0.0424","","","","","","1.158","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046109","8.7594","0.0004","20.009","0.0009","17.2945","0.0008","90","","92.855","0.001","90","","3027.4","0.2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 Cl8 N12 Sm2 -","- C60 H52 Cl8 N12 Sm2 -","- C120 H104 Cl16 N24 Sm4 -","2","0.5","","Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus","Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7669","7681","10.1039/c8dt00642c","","","0.71073","MoKα","","0.0617","0.0334","","","0.0522","0.0601","","","","","","1.009","","","","has coordinates,has disorder","229885","2020-10-21","18:00:00",""
"7046110","13.853","0.003","17.29","0.003","28.76","0.004","75.917","0.012","84.957","0.013","74.512","0.012","6437","2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H194 N18 P12 Se6 -","- C100 H194 N18 P12 Se6 -","- C200 H388 N36 P24 Se12 -","2","1","","Plajer, Alex J.; Niu, Hao-Che; Rizzuto, Felix J.; Wright, Dominic S.","Formation and selection of the macrocycle [{(<sup>t</sup>BuN[double bond, length as m-dash])P(μ-N<sup>t</sup>Bu)}<sub>2</sub>(μ-Se)<sub>2</sub>{P(μ-N<sup>t</sup>Bu)}<sub>2</sub>]<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6675","6678","10.1039/c8dt01143e","","","1.54178","CuKα","","0.0526","0.0394","","","0.0975","0.1051","","","","","","1.019","","","","has coordinates,has disorder","229610","2020-10-21","18:00:00",""
"7046111","11.1815","0.0005","13.9528","0.0007","15.4047","0.0007","96.14","0.002","111.079","0.002","112.909","0.002","1978.53","0.17","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.9 H64.9 Ca I1.02 O6 S0.98 -","- C34.9 H64.9 Ca I1.02 O6 S0.98 -","- C69.8 H129.8 Ca2 I2.04 O12 S1.96 -","2","1","","Koch, Alexander; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","5-Methyl-2-thienylcalcium iodide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12534","12539","10.1039/c8dt01398e","","","0.71073","MoKα","","0.0717","0.0534","","","0.1035","0.1128","","","","","","1.092","","","","has coordinates,has disorder","229916","2020-10-21","18:00:00",""
"7046112","11.3671","0.0005","11.6113","0.0003","20.9861","0.0007","80.625","0.003","74.837","0.003","73.183","0.003","2547.69","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17.5 Mn N3 O6 -","- C23 H17.5 Mn N3 O6 -","- C92 H70 Mn4 N12 O24 -","4","2","","Kang, Xiao-Min; Wang, Wen-Min; Yao, Lin-Hong; Ren, Hong-Xia; Zhao, Bin","Solvent-dependent variations of both structure and catalytic performance in three manganese coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6986","6994","10.1039/c8dt01103f","","x-ray","0.71073","MoKα","","0.0528","0.0419","","","0.1135","0.1213","","","","","","1.038","","","","has coordinates","229698","2020-10-21","18:00:00",""
"7046113","17.3875","0.0012","17.3875","0.0012","18.3017","0.0009","90","","90","","90","","5533.1","0.6","177","30","177","30","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H13 Mn N3 O4 -","- C23 H13 Mn N3 O4 -","- C184 H104 Mn8 N24 O32 -","8","1","","Kang, Xiao-Min; Wang, Wen-Min; Yao, Lin-Hong; Ren, Hong-Xia; Zhao, Bin","Solvent-dependent variations of both structure and catalytic performance in three manganese coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6986","6994","10.1039/c8dt01103f","","x-ray","0.71073","MoKα","","0.1021","0.0676","","","0.1181","0.1324","","","","","","0.98","","","","has coordinates","229698","2020-10-21","18:00:00",""
"7046114","27.489","0.005","12.357","0.0016","13.6835","0.0017","90","","118.528","0.003","90","","4083.7","1","386","2","386.3","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Mn N3 O5 -","- C23 H15 Mn N3 O5 -","- C184 H120 Mn8 N24 O40 -","8","1","","Kang, Xiao-Min; Wang, Wen-Min; Yao, Lin-Hong; Ren, Hong-Xia; Zhao, Bin","Solvent-dependent variations of both structure and catalytic performance in three manganese coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6986","6994","10.1039/c8dt01103f","","","0.71073","MoKα","","0.0364","0.0339","","","0.0925","0.094","","","","","","1.079","","","","has coordinates","229698","2020-10-21","18:00:00",""
"7046115","21.0616","0.0014","6.5769","0.0006","25.065","0.0018","90","","104.603","0.007","90","","3359.8","0.5","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C144 H184 N24 O24 -","8","1","","Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.","Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7190","7205","10.1039/c8dt01099d","","x-ray","0.71073","MoKα","","0.0648","0.0444","","","0.0966","0.1047","","","","","","1.073","","","","has coordinates,has disorder","229895","2020-10-21","18:00:00",""
"7046116","8.6653","0.0005","12.8542","0.0006","22.1094","0.001","99.037","0.005","93.119","0.005","105.051","0.005","2336.9","0.2","190","2","190","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19.75 H29 Cl2 Cu N4 O3.75 -","- C19.75 H29 Cl2 Cu N4 O3.75 -","- C79 H116 Cl8 Cu4 N16 O15 -","4","2","","Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.","Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7190","7205","10.1039/c8dt01099d","","x-ray","1.54184","CuKα","","0.1086","0.0996","","","0.2531","0.2604","","","","","","1.067","","","","has coordinates,has disorder","229895","2020-10-21","18:00:00",""
"7046117","7.3255","0.0005","9.7556","0.0005","14.3516","0.0009","101.145","0.005","90.371","0.005","108.493","0.006","951.79","0.11","190","2","190","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H46 Cl2 Cu2 N6 O5 -","- C36 H46 Cl2 Cu2 N6 O5 -","- C36 H46 Cl2 Cu2 N6 O5 -","1","0.5","","Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.","Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7190","7205","10.1039/c8dt01099d","","x-ray","1.5418","CuKα","","0.0455","0.0415","","","0.1081","0.1127","","","","","","1.042","","","","has coordinates,has disorder","229895","2020-10-21","18:00:00",""
"7046118","11.0978","0.0009","12.7887","0.001","14.2619","0.0012","77.005","0.007","81.372","0.007","87.444","0.007","1949.9","0.3","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H47 Cl Fe N6 O8.5 -","- C37 H47 Cl Fe N6 O8.5 -","- C74 H94 Cl2 Fe2 N12 O17 -","2","1","","Palanimuthu, Duraippandi; Wu, Zhixuan; Jansson, Patric J.; Braidy, Nady; Bernhardt, Paul V.; Richardson, Des R.; Kalinowski, Danuta S.","Novel chelators based on adamantane-derived semicarbazones and hydrazones that target multiple hallmarks of Alzheimer's disease.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7190","7205","10.1039/c8dt01099d","","x-ray","0.71073","MoKα","","0.0733","0.0566","","","0.1526","0.1656","","","","","","1.048","","","","has coordinates,has disorder","229895","2020-10-21","18:00:00",""
"7046119","10.6467","0.0001","22.5668","0.0005","15.5514","0.0004","90","","93.659","0.0013","90","","3728.79","0.13","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H46 Cl2 N2 O Ru -","- C37 H46 Cl2 N2 O Ru -","- C148 H184 Cl8 N8 O4 Ru4 -","4","1","","Ambrosio, Chiara; Paradiso, Veronica; Costabile, Chiara; Bertolasi, Valerio; Caruso, Tonino; Grisi, Fabia","Stable ruthenium olefin metathesis catalysts bearing symmetrical NHC ligands with primary and secondary N-alkyl groups.","Dalton transactions (Cambridge, England : 2003)","2018","47","18","6615","6627","10.1039/c8dt00619a","","","0.71073","MoKα","","0.0647","0.0367","","","0.0845","0.093","","","","","","1.012","","","","has coordinates","229868","2020-10-21","18:00:00",""
"7046120","12.2532","0.0006","12.7478","0.0007","19.0546","0.0011","73.523","0.002","89.902","0.002","79.469","0.002","2802.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 B F24 Rh S2 Si -","- C54 H38 B F24 Rh S2 Si -","- C108 H76 B2 F48 Rh2 S4 Si2 -","2","1","","Azpeitia, S.; Prieto, U.; San Sebastián, E; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","Alkene-alkyl interconversion: an experimental and computational study of the olefin insertion and β-hydride elimination processes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6808","6818","10.1039/c8dt00448j","","","0.71069","MoKα","","0.1377","0.0827","","","0.2043","0.2415","","","","","","1.031","","","","has coordinates,has disorder","229606","2020-10-21","18:00:00",""
"7046121","10.3166","0.0006","11.3775","0.0007","13.4886","0.0008","66.36","","70.426","0.002","84.19","","1365.57","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl4 Ir S2 Si -","- C24 H31 Cl4 Ir S2 Si -","- C48 H62 Cl8 Ir2 S4 Si2 -","2","1","","Azpeitia, S.; Prieto, U.; San Sebastián, E; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","Alkene-alkyl interconversion: an experimental and computational study of the olefin insertion and β-hydride elimination processes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6808","6818","10.1039/c8dt00448j","","","0.71069","MoKα","","0.0325","0.0299","","","0.0688","0.0699","","","","","","1.225","","","","has coordinates,has disorder","229606","2020-10-21","18:00:00",""
"7046122","12.2683","0.0005","12.4775","0.0005","19.1517","0.0009","73.97","0.002","89.285","0.002","81.529","0.002","2785.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H41 B F23.71 Ir S2 Si -","- C55 H41 B F23.707 Ir S2 Si -","- C110 H82 B2 F47.414 Ir2 S4 Si2 -","2","1","","Azpeitia, S.; Prieto, U.; San Sebastián, E; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A.","Alkene-alkyl interconversion: an experimental and computational study of the olefin insertion and β-hydride elimination processes.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6808","6818","10.1039/c8dt00448j","","","0.71069","MoKα","","0.1023","0.0893","","","0.232","0.2467","","","","","","1.04","","","","has coordinates,has disorder","229606","2020-10-21","18:00:00",""
"7046123","6.416","0.014","3.922","0.009","31.56","0.06","90","","90.01","0.03","90","","794","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1572","0.1008","","","0.2796","0.3288","","","","","","1.026","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046124","3.886","0.01","6.464","0.016","31.73","0.08","90","","92.54","0.03","90","","796","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.126","0.0901","","","0.2832","0.3283","","","","","","1.055","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046125","6.307","0.012","3.778","0.007","31.68","0.05","90","","91.02","0.04","90","","755","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1214","0.0795","","","0.1825","0.2027","","","","","","0.814","","","","has coordinates","229702","2020-10-21","18:00:00",""
"7046126","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4.91 F1.54 O2 -","- C9 H4.91 F1.5376 O2 -","- C36 H19.64 F6.1504 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.103","0.0735","","","0.1881","0.2144","","","","","","1.067","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046127","3.8154","0.0004","6.3634","0.0006","32.845","0.003","90","","91.146","0.003","90","","797.28","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0754","0.0605","","","0.1473","0.1592","","","","","","1.075","","","","has coordinates","229702","2020-10-21","18:00:00",""
"7046128","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.487 F1.513 O2 -","- C36 H25.948 F6.052 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1023","0.0727","","","0.186","0.2147","","","","","","1.062","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046129","6.348","0.011","3.765","0.007","32.16","0.06","90","","91.47","0.03","90","","768","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.55 O2 -","- C9 H6.455 F1.545 O2 -","- C36 H25.82 F6.18 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1389","0.1082","","","0.2826","0.3252","","","","","","1.057","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046130","3.768","0.016","6.37","0.03","32.12","0.13","90","","92.13","0.06","90","","770","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.362 F1.638 O2 -","- C36 H25.448 F6.552 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1661","0.1131","","","0.305","0.3644","","","","","","1.076","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046131","3.7371","0.0002","6.3196","0.0003","32.5261","0.0014","90","","92.317","0.002","90","","767.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.39 F1.62 O2 -","- C9 H6.385 F1.615 O2 -","- C36 H25.54 F6.46 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0831","0.0681","","","0.1698","0.1765","","","","","","1.092","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046132","3.7435","0.0001","6.3336","0.0002","32.481","0.0009","90","","92.31","0.001","90","","769.49","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.44 F1.56 O2 -","- C9 H6.437 F1.563 O2 -","- C36 H25.748 F6.252 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0595","0.0481","","","0.1181","0.1247","","","","","","1.029","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046133","3.749","0.008","6.347","0.014","32.46","0.07","90","","92.23","0.03","90","","772","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.3 F1.7 O2 -","- C9 H6.297 F1.703 O2 -","- C36 H25.188 F6.812 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.114","0.0897","","","0.25","0.2822","","","","","","1.043","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046134","6.385","","3.783","","31.456","","90","","90.63","","90","","759.757","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.56 F1.44 O2 -","- C9 H6.557 F1.443 O2 -","- C36 H26.228 F5.772 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.152","0.1101","","","0.2825","0.331","","","","","","1.01","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046135","3.733","0.002","6.528","0.004","31.77","0.02","90","","91.38","0.03","90","","774","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F1.56 O2 -","- C9 H5 F1.556 O2 -","- C36 H20 F6.224 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1287","0.0965","","","0.2772","0.328","","","","","","1.067","","","","has coordinates","229702","2020-10-21","18:00:00",""
"7046136","6.394","0.004","3.753","0.002","31.224","0.017","90","","90.01","0.03","90","","749.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.53 F1.47 O2 -","- C9 H6.53 F1.47 O2 -","- C36 H26.12 F5.88 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.139","0.1064","","","0.3002","0.3471","","","","","","1.04","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046137","6.326","0.004","3.7474","0.0014","32.081","0.017","90","","91.7","0.03","90","","760.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.54 O2 -","- C9 H6.459 F1.541 O2 -","- C36 H25.836 F6.164 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1508","0.1031","","","0.2628","0.3089","","","","","","1.009","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046138","3.769","0.009","6.599","0.015","31.6","0.07","90","","91.27","0.03","90","","786","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.26 F1.74 O2 -","- C9 H6.264 F1.736 O2 -","- C36 H25.056 F6.944 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1139","0.0957","","","0.2303","0.2547","","","","","","0.958","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046139","3.735","0.004","6.614","0.008","31.11","0.03","90","","90.93","0.02","90","","768.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.31 F1.69 O2 -","- C9 H6.308 F1.692 O2 -","- C36 H25.232 F6.768 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0959","0.0781","","","0.1698","0.1836","","","","","","0.969","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046140","3.756","0.009","6.293","0.016","16.06","0.04","86.11","0.04","85.37","0.06","87.17","0.05","377.1","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.359 F1.641 O2 -","- C18 H12.718 F3.282 O4 -","2","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1304","0.0884","","","0.2301","0.2835","","","","","","1.031","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046141","3.7384","0.0013","6.621","0.003","31.171","0.01","90","","90.852","0.019","90","","771.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.47 F1.54 O2 -","- C9 H6.465 F1.535 O2 -","- C36 H25.86 F6.14 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0728","0.0591","","","0.149","0.1592","","","","","","0.983","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046142","3.738","0.005","6.608","0.009","31.18","0.04","90","","90.847","0.016","90","","770.1","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.29 F1.71 O2 -","- C9 H6.294 F1.706 O2 -","- C36 H25.176 F6.824 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0793","0.0653","","","0.1634","0.1748","","","","","","1.053","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046143","6.3904","0.0019","3.7571","0.0013","31.744","0.01","90","","90.221","0.015","90","","762.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 F1.38 O2 -","- C9 H4 F1.3818 O2 -","- C36 H16 F5.5272 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1178","0.0785","","","0.1455","0.1647","","","","","","0.995","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046144","3.7363","0.0016","6.525","0.003","32.294","0.012","90","","91.54","0.03","90","","787","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F1.8 O2 -","- C9 H5 F1.802 O2 -","- C36 H20 F7.208 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1302","0.0969","","","0.2133","0.2389","","","","","","1.085","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046145","6.4771","0.0016","3.7587","0.0007","31.566","0.007","90","","90.672","0.013","90","","768.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.48 F1.52 O2 -","- C9 H6.479 F1.521 O2 -","- C36 H25.916 F6.084 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0953","0.08","","","0.2204","0.2391","","","","","","0.972","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046146","3.783","0.006","6.316","0.01","16.16","0.03","86.25","0.02","85.69","0.04","87.28","0.03","383.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.5 F1.5 O2 -","- C9 H6.503 F1.497 O2 -","- C18 H13.006 F2.994 O4 -","2","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0898","0.062","","","0.1486","0.1702","","","","","","1.036","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046147","3.7681","0.0016","6.618","0.003","31.762","0.015","90","","95.72","0.03","90","","788.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.76 F1.24 O2 -","- C9 H6.762 F1.238 O2 -","- C36 H27.048 F4.952 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1249","0.0932","","","0.2133","0.2395","","","","","","1.131","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046148","3.7674","0.0011","6.5778","0.0019","31.345","0.009","90","","91.121","0.015","90","","776.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.24 F1.76 O2 -","- C9 H6.24 F1.76 O2 -","- C36 H24.96 F7.04 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0997","0.0807","","","0.235","0.2528","","","","","","1.096","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046149","3.742","0.0013","6.613","0.003","31.174","0.015","90","","90.79","0.02","90","","771.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.55 F1.45 O2 -","- C9 H6.546 F1.454 O2 -","- C36 H26.184 F5.816 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0948","0.0784","","","0.1968","0.2128","","","","","","0.998","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046150","3.807","0.008","6.296","0.013","15.98","0.03","84.74","0.04","84.44","0.04","86.65","0.05","379.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0968","0.0723","","","0.199","0.2264","","","","","","1.029","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046151","6.322","0.003","3.7467","0.0016","32.162","0.013","90","","91.57","0.02","90","","761.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.1521","0.1116","","","0.3253","0.3602","","","","","","1.069","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046152","3.789","0.004","6.337","0.006","15.846","0.016","84.53","0.02","85.15","0.019","87.11","0.03","377","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 F O2 -","- C9 H6 F O2 -","- C18 H12 F2 O4 -","2","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0731","0.0675","","","0.1842","0.1906","","","","","","1.058","","","","has coordinates,has disorder","229702","2020-10-21","18:00:00",""
"7046153","8.188","0.0004","9.5193","0.0005","12.5867","0.0008","91.511","0.005","101.114","0.005","98.054","0.004","951.72","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Cd N O13 -","- C15 H17 Cd N O13 -","- C30 H34 Cd2 N2 O26 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0524","0.0404","","","0.0884","0.0983","","","","","","1.048","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046154","13.0611","0.0007","14.1389","0.0007","14.3715","0.0007","102.999","0.004","98.038","0.004","110.742","0.005","2347.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Cd3 N6 O17 -","- C50 H30 Cd3 N6 O17 -","- C100 H60 Cd6 N12 O34 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0506","0.0339","","","0.0577","0.0662","","","","","","1.035","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046155","10.5051","0.0005","12.9514","0.0009","13.7037","0.0009","106.801","0.006","104.715","0.005","93.327","0.005","1708.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 Cd2 N5 O10 -","- C35 H25 Cd2 N5 O10 -","- C70 H50 Cd4 N10 O20 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0746","0.0479","","","0.0993","0.1182","","","","","","1.048","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046156","9.8401","0.0007","28.462","0.0016","8.4345","0.0005","90","","101.113","0.007","90","","2317.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N3 O9 Zn -","- C25 H17 N3 O9 Zn -","- C100 H68 N12 O36 Zn4 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.1301","0.0614","","","0.0806","0.1127","","","","","","1.034","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046157","11.4599","0.0006","12.1509","0.0008","13.8435","0.0008","105.284","0.005","107.683","0.005","91.786","0.005","1758.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cd2 N5 O10 -","- C39 H25 Cd2 N5 O10 -","- C78 H50 Cd4 N10 O20 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0621","0.0392","","","0.0489","0.0554","","","","","","1.16","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046158","9.0806","0.001","10.017","0.0009","14.9919","0.0013","98.323","0.008","93.031","0.008","115.65","0.01","1206.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H34 N6 O18 Zn2 -","- C54 H34 N6 O18 Zn2 -","- C54 H34 N6 O18 Zn2 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0882","0.0555","","","0.0824","0.0976","","","","","","1.054","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046159","13.4082","0.0008","14.3932","0.0007","20.3585","0.0012","90","","103.23","0.006","90","","3824.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 N5 Ni O15 -","- C39 H37 N5 Ni O15 -","- C156 H148 N20 Ni4 O60 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.1497","0.07","","","0.1187","0.1601","","","","","","1.016","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046160","11.7676","0.0006","12.7588","0.0007","14.2231","0.0007","104.592","0.005","109.891","0.005","104.632","0.005","1804","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H76 Co3 N8 O36 -","- C60 H76 Co3 N8 O36 -","- C60 H76 Co3 N8 O36 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.0818","0.0601","","","0.1467","0.1656","","","","","","1.03","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046161","11.2162","0.0004","23.1617","0.001","14.1043","0.0007","90","","109.037","0.005","90","","3463.7","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C66 H46 N8 O22 Zn3 -","- C66 H46 N8 O22 Zn3 -","- C132 H92 N16 O44 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.08","0.0599","","","0.1512","0.1717","","","","","","0.889","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046162","13.6373","0.0009","15.8049","0.0011","16.0311","0.0013","90","","108.194","0.008","90","","3282.5","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C35 H25 N5 O10 Zn2 -","- C35 H25 N5 O10 Zn2 -","- C140 H100 N20 O40 Zn8 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.1285","0.0751","","","0.1551","0.2019","","","","","","1.062","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046163","13.4144","0.0009","16.2982","0.0014","17.8894","0.0013","113.46","0.008","104.921","0.006","96.805","0.006","3357.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H40 N7 Ni3 O20 -","- C55 H40 N7 Ni3 O20 -","- C110 H80 N14 Ni6 O40 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71073","MoKα","","0.1455","0.0764","","","0.1659","0.2026","","","","","","0.895","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046164","27.788","0.002","14.045","0.0007","21.084","0.0013","90","","109.68","0.008","90","","7748.1","0.9","288.89","0.19","288.89","0.19","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 N5 O13.5 Zn -","- C39 H34 N5 O13.5 Zn -","- C312 H272 N40 O108 Zn8 -","8","1","","Gu, Jin-Zhong; Cai, Yan; Qian, Zi-Yue; Wen, Min; Shi, Zi-Fa; Lv, Dong-Yu; Kirillov, Alexander M.","A new series of Co, Ni, Zn, and Cd metal-organic architectures driven by an unsymmetrical biphenyl-tricarboxylic acid: hydrothermal assembly, structural features and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7431","7444","10.1039/c8dt01299g","","","0.71","MoKα","","0.1826","0.0857","","","0.19","0.2341","","","","","","0.975","","","","has coordinates","229256","2020-10-21","18:00:00",""
"7046165","15.328","0.003","22.205","0.004","16.163","0.003","90","","102.383","0.003","90","","5373.2","1.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H130 Ge10 Na2 Ni4 O36 -","- C84 H130 Ge10 Na2 Ni4 O36 -","- C168 H260 Ge20 Na4 Ni8 O72 -","2","0.5","","Kulakova, Alena N.; Bilyachenko, Alexey N.; Korlyukov, Alexander A.; Long, Jérôme; Levitsky, Mikhail M.; Shubina, Elena S.; Guari, Yannick; Larionova, Joulia","New Ni<sub>4</sub>Na<sub>2</sub>-phenylgermsesquioxane architecture: synthesis, structure and slow dynamic behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6893","6897","10.1039/c8dt00900g","","","0.71073","MoKα","","0.1408","0.0794","","","0.1608","0.2012","","","","","","1.068","","","","has coordinates,has disorder","291143","2024-04-09","08:48:41",""
"7046166","9.3277","0.0003","11.3766","0.0004","14.9148","0.0006","90","","98.662","0.004","90","","1564.67","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N4 Sn -","- C14 H22 N4 Sn -","- C56 H88 N16 Sn4 -","4","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","0.71073","MoKα","","0.0381","0.0291","","","0.0563","0.0607","","","","","","1.061","","","","has coordinates","229887","2020-10-21","18:00:00",""
"7046167","12.1057","0.0003","9.7711","0.0002","16.0995","0.0004","90","","95.487","0.002","90","","1895.62","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N4 Sn -","- C18 H26 N4 Sn -","- C72 H104 N16 Sn4 -","4","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","1.54184","CuKα","","0.0536","0.0495","","","0.1407","0.1453","","","","","","1.09","","","","has coordinates,has disorder","229887","2020-10-21","18:00:00",""
"7046168","8.5561","0.0003","8.8998","0.0003","10.0193","0.0003","90","","93.866","0.003","90","","761.21","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 Sn -","- C14 H18 N4 Sn -","- C28 H36 N8 Sn2 -","2","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","1.54184","CuKα","","0.0338","0.0336","","","0.0894","0.0896","","","","","","1.077","","","","has coordinates","229887","2020-10-21","18:00:00",""
"7046169","13.7265","0.0004","5.93","0.0001","16.1287","0.0004","90","","104.195","0.003","90","","1272.76","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N4 Sn -","- C12 H14 N4 Sn -","- C48 H56 N16 Sn4 -","4","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","1.54184","CuKα","","0.0291","0.026","","","0.0631","0.0646","","","","","","1.128","","","","has coordinates,has disorder","229887","2020-10-21","18:00:00",""
"7046170","15.074","0.0001","11.8067","0.0001","18.2296","0.0002","90","","106.666","0.001","90","","3108.11","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 N4 Sn -","- C34 H42 N4 Sn -","- C136 H168 N16 Sn4 -","4","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","1.54184","CuKα","","0.0265","0.0258","","","0.0697","0.0702","","","","","","1.062","","","","has coordinates","229887","2020-10-21","18:00:00",""
"7046171","11.8512","0.0004","10.4036","0.0003","15.6557","0.0005","90","","96.431","0.003","90","","1918.13","0.11","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 N3 Si2 Sn -","- C13 H29 N3 Si2 Sn -","- C52 H116 N12 Si8 Sn4 -","4","1","","Parish, James D.; Snook, Michael W.; Johnson, Andrew L.; Kociok-Köhn, Gabriele","Synthesis, characterisation and thermal properties of Sn(ii) pyrrolide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7721","7729","10.1039/c8dt00490k","","x-ray","0.71073","MoKα","","0.0372","0.0295","","","0.0561","0.0596","","","","","","1.068","","","","has coordinates","229887","2020-10-21","18:00:00",""
"7046172","7.978","0.003","8.8","0.003","10.66","0.004","112.999","0.003","97.436","0.004","106.403","0.004","636","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 Cu3 N8 -","- C10 H7 Cu3 N8 -","- C20 H14 Cu6 N16 -","2","1","","Gai, Yanli; Zhao, Xueyan; Chen, Yan; Yang, Silei; Xia, Xinshu; Liu, Shan; Wan, Xiuyan; Xiong, Kecai","A cyano-bridged Cu(i)-based organic framework coupled with the C-C bond cleavage of acetonitrile for selective and sensitive sensing of Fe<sup>3+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6888","6892","10.1039/c8dt00979a","","","0.71073","MoKα","","0.0457","0.0341","","","0.0847","0.0906","","","","","","1.044","","","","has coordinates","229700","2020-10-21","18:00:00",""
"7046173","5.931","0.0012","10.639","0.002","35.44","0.007","90","","94.06","0.03","90","","2230.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Fe2 Te2 -","- C23 H24 Fe2 Te2 -","- C92 H96 Fe8 Te8 -","4","1","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.1211","0.0755","","","0.1706","0.1963","","","","","","1.02","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046174","10.578","0.0009","11.4374","0.001","11.7238","0.0011","100.572","0.003","107.192","0.002","110.62","0.002","1200.84","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cu2 Fe4 I2 Te4 -","- C46 H48 Cu2 Fe4 I2 Te4 -","- C46 H48 Cu2 Fe4 I2 Te4 -","1","0.5","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0286","0.0251","","","0.0634","0.0651","","","","","","1.106","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046175","10.623","0.002","11.34","0.003","12.013","0.003","98.094","0.003","113.331","0.002","110.988","0.002","1171.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Br2 Cu2 Fe4 Te4 -","- C46 H48 Br2 Cu2 Fe4 Te4 -","- C46 H48 Br2 Cu2 Fe4 Te4 -","1","0.5","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0708","0.0626","","","0.1592","0.1655","","","","","","1.027","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046176","20.728","0.0014","7.4755","0.0005","17.1801","0.001","90","","102.44","0.002","90","","2599.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Fe2 Te2 -","- C28 H26 Fe2 Te2 -","- C112 H104 Fe8 Te8 -","4","0.5","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0232","0.0205","","","0.0598","0.0612","","","","","","1.167","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046177","9.44","0.009","9.571","0.009","15.338","0.015","90.472","0.012","90.454","0.013","94.755","0.012","1381","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cu Fe2 I Te2 -","- C28 H26 Cu Fe2 I Te2 -","- C56 H52 Cu2 Fe4 I2 Te4 -","2","1","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0253","0.0217","","","0.0593","0.0607","","","","","","1.013","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046178","12.365","0.0006","10.82","0.0005","20.1765","0.0009","90","","90.388","0.001","90","","2699.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Br Cu Fe2 Te2 -","- C28 H26 Br Cu Fe2 Te2 -","- C112 H104 Br4 Cu4 Fe8 Te8 -","4","1","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0547","0.0387","","","0.0941","0.1035","","","","","","1.061","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046179","12.4891","0.0005","10.9033","0.0005","20.1461","0.0009","90","","90.819","0.001","90","","2743.1","0.2","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu Fe2 I Te2 -","- C28 H26 Cu Fe2 I Te2 -","- C112 H104 Cu4 Fe8 I4 Te8 -","4","1","","Li, Cheng-An; Ji, Wei; Qu, Jian; Jing, Su; Gao, Fei; Zhu, Dun-Ru","A PEG/copper(i) halide cluster as an eco-friendly catalytic system for C-N bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7463","7470","10.1039/c8dt01310a","","","0.71073","MoKα","","0.0598","0.0429","","","0.109","0.1211","","","","","","1.03","","","","has coordinates","229262","2020-10-21","18:00:00",""
"7046180","8.3554","0.0002","14.2243","0.0005","11.9797","0.0003","90","","106.219","0.002","90","","1367.12","0.07","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C26 H26 Cl2 Cu2 N4 Si -","- C26 H26 Cl2 Cu2 N4 Si -","- C52 H52 Cl4 Cu4 N8 Si2 -","2","0.5","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0551","0.0424","","","0.1001","0.1067","","","","","","1.041","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046181","10.5199","0.0003","10.5173","0.0003","18.7496","0.0005","90","","91.916","0.001","90","","2073.31","0.1","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 Si -","- C24 H23 N3 Si -","- C96 H92 N12 Si4 -","4","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0534","0.0422","","","0.1052","0.1114","","","","","","1.048","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046182","10.3558","0.0003","10.5909","0.0003","13.4578","0.0004","71.772","0.001","87.466","0.001","77.47","0.001","1368.11","0.07","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 Cl2 Mo N3 O3 Si -","- C28 H25 Cl2 Mo N3 O3 Si -","- C56 H50 Cl4 Mo2 N6 O6 Si2 -","2","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0378","0.0335","","","0.0814","0.0834","","","","","","1.103","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046183","21.1277","0.0005","10.1748","0.0002","22.4008","0.0005","90","","93.7204","0.0013","90","","4805.35","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cl2 Co N3 Si -","- C24 H23 Cl2 Co N3 Si -","- C192 H184 Cl16 Co8 N24 Si8 -","8","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0403","0.0327","","","0.0764","0.0798","","","","","","1.017","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046184","12.3186","0.0004","8.3526","0.0003","14.5003","0.0004","90","","114.935","0.002","90","","1352.9","0.08","180","2","180","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H26 Cu F6 N4 P Si -","- C26 H26 Cu F6 N4 P Si -","- C52 H52 Cu2 F12 N8 P2 Si2 -","2","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0461","0.0388","","","0.091","0.0954","","","","","","1.075","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046185","20.9935","0.0005","10.2893","0.0002","22.4986","0.0005","90","","93.954","0.001","90","","4848.32","0.18","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cl2 Fe N3 Si -","- C24 H23 Cl2 Fe N3 Si -","- C192 H184 Cl16 Fe8 N24 Si8 -","8","1","","Plajer, Alex J.; Colebatch, Annie L.; Enders, Markus; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","The coordination chemistry of the neutral tris-2-pyridyl silicon ligand [PhSi(6-Me-2-py)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7036","7043","10.1039/c8dt01332b","","","1.54178","CuKα","","0.0469","0.034","","","0.0784","0.0838","","","","","","1.027","","","","has coordinates","229701","2020-10-21","18:00:00",""
"7046186","24.605","0.011","7.246","0.003","12.402","0.006","90","","105.546","0.006","90","","2130.2","1.7","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H12 Mn2 Mo N11 O -","- C17 H12 Mn2 Mo N11 O -","- C68 H48 Mn8 Mo4 N44 O4 -","4","0.5","","Wei, Xiao-Qin; Pi, Qian; Shen, Fu-Xing; Shao, Dong; Wei, Hai-Yan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new Mn<sup>II</sup>-[Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup> molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11873","11881","10.1039/c8dt01433g","","","0.71073","MoKα","","0.069","0.0548","","","0.142","0.1504","","","","","","1.078","","","","has coordinates","229971","2020-10-21","18:00:00",""
"7046187","24.2785","0.0011","7.2502","0.0003","12.4353","0.0006","90","","103.299","0.001","90","","2130.21","0.17","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H12 Mn2 Mo N11 O -","- C17 H12 Mn2 Mo N11 O -","- C68 H48 Mn8 Mo4 N44 O4 -","4","0.5","","Wei, Xiao-Qin; Pi, Qian; Shen, Fu-Xing; Shao, Dong; Wei, Hai-Yan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new Mn<sup>II</sup>-[Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup> molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11873","11881","10.1039/c8dt01433g","","","0.71073","MoKα","","0.0318","0.0247","","","0.0534","0.0554","","","","","","1.032","","","","has coordinates","229971","2020-10-21","18:00:00",""
"7046188","24.442","0.006","7.2801","0.0016","12.456","0.003","90","","104.2","0.003","90","","2148.7","0.9","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H12 Mn2 Mo N11 O -","- C17 H12 Mn2 Mo N11 O -","- C68 H48 Mn8 Mo4 N44 O4 -","4","0.5","","Wei, Xiao-Qin; Pi, Qian; Shen, Fu-Xing; Shao, Dong; Wei, Hai-Yan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of three new Mn<sup>II</sup>-[Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup> molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11873","11881","10.1039/c8dt01433g","","","0.71073","MoKα","","0.0442","0.0351","","","0.0852","0.091","","","","","","1.062","","","","has coordinates","229971","2020-10-21","18:00:00",""
"7046189","9.3801","0.0005","13.3284","0.0008","16.0985","0.0008","107.132","0.005","103.696","0.005","100.131","0.005","1802.1","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 Cu F6 N8 O6 S2 -","- C26 H22 Cu F6 N8 O6 S2 -","- C52 H44 Cu2 F12 N16 O12 S4 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.089","0.0657","","","0.1742","0.1921","","","","","","1.048","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046190","20.891","0.0007","9.2748","0.0002","25.1344","0.0009","90","","114.487","0.004","90","","4432","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H42.67 Cu F6 N8 O9.33 S2 -","- C36 H42.6666 Cu F6 N8 O9.3333 S2 -","- C144 H170.666 Cu4 F24 N32 O37.3332 S8 -","4","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0765","0.0606","","","0.1638","0.1744","","","","","","1.007","","","","has coordinates,has disorder","229833","2020-10-21","18:00:00",""
"7046191","9.0686","0.0006","11.2199","0.0006","12.0883","0.0008","115.102","0.006","104.812","0.006","93.484","0.005","1056.48","0.14","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Cu F6 N8 O6 S2 -","- C46 H36 Cu F6 N8 O6 S2 -","- C46 H36 Cu F6 N8 O6 S2 -","1","0.5","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0883","0.0682","","","0.1736","0.1948","","","","","","1.048","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046192","6.3881","0.0004","7.6794","0.0009","17.8944","0.0012","87.348","0.007","89.529","0.005","67.155","0.008","808.07","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","0.71073","MoKα","","0.1229","0.0994","","","0.2643","0.2788","","","","","","1.118","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046193","16.6451","0.0003","17.1433","0.0002","19.106","0.0003","90.704","0.001","90.042","0.001","97.267","0.001","5407.72","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 Cu4 F12 N24 O16 S4 -","- C96 H88 Cu4 F12 N24 O16 S4 -","- C192 H176 Cu8 F24 N48 O32 S8 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54178","CuKα","","0.0818","0.0609","","","0.1626","0.1769","","","","","","1.01","","","","has coordinates,has disorder","229833","2020-10-21","18:00:00",""
"7046194","13.0813","0.001","5.4875","0.0003","17.7677","0.0016","90","","108.906","0.009","90","","1206.62","0.17","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 -","- C13 H17 N3 -","- C52 H68 N12 -","4","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0658","0.0469","","","0.115","0.1336","","","","","","1.024","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046195","8.2035","0.0012","11.0403","0.0011","11.202","0.0011","93.064","0.008","106.687","0.011","104.934","0.01","930.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","2","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0688","0.0451","","","0.1051","0.1216","","","","","","1.052","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046196","8.1128","0.0008","8.7716","0.0011","10.9028","0.0011","80.648","0.01","69.951","0.009","84.374","0.01","718.41","0.14","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.073","0.0484","","","0.1108","0.1284","","","","","","0.986","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046197","8.1339","0.0008","5.6565","0.0006","14.5299","0.0016","90","","92.836","0.009","90","","667.69","0.12","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0617","0.0464","","","0.1051","0.1164","","","","","","1.019","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046198","11.5768","0.0016","5.9774","0.0008","16.119","0.002","90","","106.541","0.014","90","","1069.3","0.3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0753","0.0606","","","0.1614","0.186","","","","","","1.034","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046199","11.2241","0.0004","19.335","0.0006","5.5817","0.0002","90","","90","","90","","1211.33","0.07","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C60 H52 N12 -","4","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","x-ray","1.54184","CuKα","","0.0418","0.0373","","","0.0855","0.0892","","","","","","1.069","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046200","14.1878","0.0005","13.3086","0.0005","40.4807","0.0013","90","","90.608","0.003","90","","7643.1","0.5","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H31 Cu F6 N9 O6 S2 -","- C32 H31 Cu F6 N9 O6 S2 -","- C256 H248 Cu8 F48 N72 O48 S16 -","8","1","","Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.","Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10491","10508","10.1039/c8dt01256c","","","0.71073","MoKα","","0.1173","0.0938","","","0.2448","0.2638","","","","","","1.029","","","","has coordinates","229833","2020-10-21","18:00:00",""
"7046201","9.478","0.003","10.5","0.004","13.271","0.005","90","","94.603","0.006","90","","1316.5","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Fe N O -","- C17 H15 Fe N O -","- C68 H60 Fe4 N4 O4 -","4","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.0666","0.0446","","","0.1115","0.1274","","","","","","0.985","","","","has coordinates","229823","2020-10-21","18:00:00",""
"7046202","13.4649","0.0019","14.607","0.002","18.529","0.003","93.978","0.002","107.059","0.002","105.219","0.002","3319.2","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H95 Bi Fe3 N6 O4 -","- C76 H95 Bi Fe3 N6 O4 -","- C152 H190 Bi2 Fe6 N12 O8 -","2","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.0438","0.0379","","","0.0981","0.1014","","","","","","1.069","","","","has coordinates","229823","2020-10-21","18:00:00",""
"7046203","28.5012","0.0014","5.7094","0.0003","10.1021","0.0005","90","","90","","90","","1643.86","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N2 -","- C20 H22 Fe N2 -","- C80 H88 Fe4 N8 -","4","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.1127","0.097","","","0.2235","0.2314","","","","","","1.063","","","","has coordinates,has disorder","229823","2020-10-21","18:00:00",""
"7046204","15.062","0.003","15.807","0.003","21.488","0.004","85.773","0.006","87.331","0.006","62.126","0.005","4509.7","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C98.96 H119.35 Fe4 N4 Na4 O10.27 -","- C98.941 H119.261 Fe4 N4 Na4 O10.287 -","- C197.882 H238.522 Fe8 N8 Na8 O20.574 -","2","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.094","0.0548","","","0.1233","0.1435","","","","","","1.024","","","","has coordinates,has disorder","229823","2020-10-21","18:00:00",""
"7046205","12.3954","0.0008","12.5471","0.0008","14.5794","0.0009","64.945","0.002","75.396","0.002","84.677","0.002","1987.5","0.2","101","","101","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Bi2 Cl4 Fe2 N4 -","- C40 H42 Bi2 Cl4 Fe2 N4 -","- C80 H84 Bi4 Cl8 Fe4 N8 -","2","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.0689","0.0445","","","0.0852","0.0903","","","","","","1.116","","","","has coordinates","229823","2020-10-21","18:00:00",""
"7046206","13.8101","0.0005","15.5735","0.0004","18.4473","0.0005","90","","98.746","0.003","90","","3921.4","0.2","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H100 Fe2 N4 Na2 O2 P2 -","- C88 H100 Fe2 N4 Na2 O2 P2 -","- C176 H200 Fe4 N8 Na4 O4 P4 -","2","0.5","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.1463","0.0913","","","0.215","0.2458","","","","","","1.072","","","","has coordinates,has disorder","229823","2020-10-21","18:00:00",""
"7046207","7.7459","0.0007","9.9165","0.0007","14.9643","0.0013","83.487","0.003","89.016","0.003","75.755","0.003","1106.84","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H30 F6 Fe N6 O2 Sb -","- C12 H30 F6 Fe N6 O2 Sb -","- C24 H60 F12 Fe2 N12 O4 Sb2 -","2","1","","Li, Wei-Liang; Chiou, Tzung-Wen; Chen, Chien-Hong; Yu, Yi-Ju; Chu, Li-Kang; Liaw, Wen-Feng","Electrodeposited-film electrodes derived from a precursor dinitrosyl iron complex for electrocatalytic water splitting.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7128","7134","10.1039/c8dt00601f","","","0.71073","MoKα","","0.0295","0.0279","","","0.0929","0.0984","","","","","","1.193","","","","has coordinates","229907","2020-10-21","18:00:00",""
"7046208","34.998","","16.991","","34.268","","90","","116.41","","90","","18250.8","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C160 H194 Cr6 Dy6 N6 O54 -","- C160 H194 Cr6 Dy6 N6 O54 -","- C640 H776 Cr24 Dy24 N24 O216 -","4","0.5","","Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; Zhang, Mengsi; He, Zhangzhen","Targeted replacement: systematic studies of dodecanuclear {MLn} coordination clusters (M = Cr, Co; Ln = Dy, Y).","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7456","7462","10.1039/c8dt01289j","","","0.71073","MoKα","","0.0739","0.0612","","","0.1153","0.1211","","","","","","1.171","","","","has coordinates","229264","2020-10-21","18:00:00",""
"7046209","16.305","0.004","17.284","0.003","18.521","0.004","75.951","0.007","79.292","0.007","74.923","0.006","4847","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C180 H232 Co6 Dy6 N8 O54 -","- C180 H232 Co6 Dy6 N8 O54 -","- C180 H232 Co6 Dy6 N8 O54 -","1","0.5","","Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; Zhang, Mengsi; He, Zhangzhen","Targeted replacement: systematic studies of dodecanuclear {MLn} coordination clusters (M = Cr, Co; Ln = Dy, Y).","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7456","7462","10.1039/c8dt01289j","","","0.71073","MoKα","","0.0767","0.0641","","","0.1424","0.1519","","","","","","1.121","","","","has coordinates","229264","2020-10-21","18:00:00",""
"7046210","12.8631","0.0003","14.9901","0.0004","16.3368","0.0003","110.018","0.0019","99.1822","0.0017","100.822","0.0019","2820.28","0.13","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.75 H41.5 Cl1.5 F6 Ir N4 O5 P -","- C54.75 H41.5 Cl1.5 F6 Ir N4 O5 P -","- C109.5 H83 Cl3 F12 Ir2 N8 O10 P2 -","2","1","","Gitlina, Anastasia Yu; Ivonina, Maria V.; Sizov, Vladimir V.; Starova, Galina L.; Pushkarev, Anatoly P.; Volyniuk, Dmytro; Tunik, Sergey P.; Koshevoy, Igor O.; Grachova, Elena V.","A rare example of a compact heteroleptic cyclometalated iridium(iii) complex demonstrating well-separated dual emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7578","7586","10.1039/c8dt01336e","","x-ray","1.54184","CuKα","","0.0538","0.0492","","","0.1253","0.1307","","","","","","1.046","","","","has coordinates","229261","2020-10-21","18:00:00",""
"7046211","9.7209","0.0004","11.7561","0.0004","18.1069","0.0007","92.843","0.003","96.989","0.004","109.734","0.004","1924.13","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H34 Cl2 F6 Ir N4 P -","- C43 H34 Cl2 F6 Ir N4 P -","- C86 H68 Cl4 F12 Ir2 N8 P2 -","2","1","","Gitlina, Anastasia Yu; Ivonina, Maria V.; Sizov, Vladimir V.; Starova, Galina L.; Pushkarev, Anatoly P.; Volyniuk, Dmytro; Tunik, Sergey P.; Koshevoy, Igor O.; Grachova, Elena V.","A rare example of a compact heteroleptic cyclometalated iridium(iii) complex demonstrating well-separated dual emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7578","7586","10.1039/c8dt01336e","","","0.71073","MoKα","","0.0703","0.0533","","","0.1029","0.1132","","","","","","1.051","","","","has coordinates,has disorder","229261","2020-10-21","18:00:00",""
"7046212","18.8332","0.0003","37.4125","0.0005","10.8478","0.00014","90","","98.0557","0.0013","90","","7567.91","0.19","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Cl2 F6 Ir N4 P -","- C41 H30 Cl2 F6 Ir N4 P -","- C328 H240 Cl16 F48 Ir8 N32 P8 -","8","2","","Gitlina, Anastasia Yu; Ivonina, Maria V.; Sizov, Vladimir V.; Starova, Galina L.; Pushkarev, Anatoly P.; Volyniuk, Dmytro; Tunik, Sergey P.; Koshevoy, Igor O.; Grachova, Elena V.","A rare example of a compact heteroleptic cyclometalated iridium(iii) complex demonstrating well-separated dual emission.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7578","7586","10.1039/c8dt01336e","","x-ray","1.54184","CuKα","","0.0708","0.0581","","","0.1416","0.1516","","","","","","1.047","","","","has coordinates","229261","2020-10-21","18:00:00",""
"7046213","10.1661","0.0017","16.602","0.003","21.663","0.004","90","","99.801","0.003","90","","3602.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F12 Ir N7 -","- C38 H20 F12 Ir N7 -","- C152 H80 F48 Ir4 N28 -","4","1","","Su, Ning; Wu, Zheng-Guang; Zheng, You-Xuan","Highly efficient bluish green organic light-emitting diodes of iridium(iii) complexes with low efficiency roll-off.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7587","7593","10.1039/c8dt00952j","","","0.71073","MoKα","","0.0538","0.0346","","","0.0755","0.0842","","","","","","1.004","","","","has coordinates","229260","2020-10-21","18:00:00",""
"7046214","32.9353","0.0019","16.1293","0.0011","12.7402","0.0008","90","","90","","90","","6767.9","0.7","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C25 H32 B2 N14 O4 Ru2 -","- C25 H23 B2 N14 O4 Ru2 -","- C200 H184 B16 N112 O32 Ru16 -","8","1","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.7107","MoKα","","0.1082","0.1053","","","0.1617","0.1627","","","","","","1.419","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046215","11.8607","0.0008","15.0217","0.0009","10.8179","0.0007","90","","90","","90","","1927.4","0.2","296","","296","","","","","","","","","8","P m m n","-P 2ab 2a","59","","","","- C28 H37 B2 F6 N16 O2 P Ru2 -","- C28 H27 B2 F6 N16 O2 P Ru2 -","- C56 H54 B4 F12 N32 O4 P2 Ru4 -","2","","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.7107","MoKα","","0.074","0.0666","","","0.1278","0.1315","","","","","","1.299","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046216","16.337","0.003","17.461","0.003","14.116","0.003","90","","90","","90","","4026.7","1.3","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24 H26 B4 F8 N18 O2 Ru2 -","- C24 H26 B4 F8 N18 O2 Ru2 -","- C96 H104 B16 F32 N72 O8 Ru8 -","4","0.5","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.71075","MoKα","","0.0849","0.0705","","","0.1592","0.168","","","","","","1.126","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046217","18.521","0.003","13.621","0.002","14.615","0.003","90","","117.355","0.002","90","","3274.7","1","93","","93","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C25 H28 B2 Cl2 N16 O Ru2 -","- C25 H28 B2 Cl2 N16 O Ru2 -","- C100 H112 B8 Cl8 N64 O4 Ru8 -","4","1","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.71075","MoKα","","0.0228","0.0203","","","0.0435","0.0442","","","","","","0.984","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046218","14.188","0.006","13.607","0.006","24.098","0.011","90","","90.12","0.008","90","","4652","4","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 B2 N18 O2 Ru2 -","- C33 H35 B2 N18 O2 Ru2 -","- C132 H140 B8 N72 O8 Ru8 -","4","1","","Arikawa, Yasuhiro; Hiura, Junko; Tsuchii, Chika; Kodama, Mika; Matsumoto, Naoki; Umakoshi, Keisuke","Synthetic NO reduction cycle on a bis(pyrazolato)-bridged dinuclear ruthenium complex including photo-induced transformation","Dalton Transactions","2018","","","","","10.1039/C8DT01208C","","","0.71075","MoKα","","0.1056","0.0757","","","0.1872","0.2076","","","","","","1.049","","","","has coordinates","207621","2020-10-21","18:00:00",""
"7046219","13.2413","0.0002","19.5421","0.0004","29.2641","0.0006","90","","92.638","0.002","90","","7564.4","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H78 Cl4 Mn2 O9 P6 -","- C78 H78 Cl4 Mn2 O9 P6 -","- C312 H312 Cl16 Mn8 O36 P24 -","4","1","","Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.","""Two-in-one"" organic-inorganic hybrid Mn<sup>II</sup> complexes exhibiting dual-emissive phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7306","7315","10.1039/c8dt01041b","","x-ray","0.71073","MoKα","","0.0737","0.0565","","","0.1416","0.1535","","","","","","1.037","","","","has coordinates,has disorder","229908","2020-10-21","18:00:00",""
"7046220","14.9083","0.0003","28.8164","0.0005","22.3826","0.0004","90","","100.503","0.0018","90","","9454.5","0.3","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H80.25 Br4 Mn2 N2.75 O6 P6 -","- C89.5 H80.25 Br4 Mn2 N2.75 O6 P6 -","- C358 H321 Br16 Mn8 N11 O24 P24 -","4","1","","Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.","""Two-in-one"" organic-inorganic hybrid Mn<sup>II</sup> complexes exhibiting dual-emissive phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7306","7315","10.1039/c8dt01041b","","x-ray","0.71073","MoKα","","0.0851","0.066","","","0.1901","0.2061","","","","","","1.043","","","","has coordinates,has disorder","229908","2020-10-21","18:00:00",""
"7046221","11.8009","0.0005","26.2459","0.0008","13.8906","0.0004","90","","111.152","0.004","90","","4012.4","0.3","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C82 H78 Br4 Mn2 N2 O6 P6 -","- C82 H78 Br4 Mn2 N2 O6 P6 -","- C164 H156 Br8 Mn4 N4 O12 P12 -","2","1","","Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.","""Two-in-one"" organic-inorganic hybrid Mn<sup>II</sup> complexes exhibiting dual-emissive phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7306","7315","10.1039/c8dt01041b","","x-ray","0.71073","MoKα","","0.0382","0.0323","","","0.0667","0.0694","","","","","","1.034","","","","has coordinates","229908","2020-10-21","18:00:00",""
"7046222","12.6473","0.0004","18.3942","0.0007","18.4505","0.0004","71.202","0.003","83.448","0.002","74.079","0.003","3905.9","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H82 Br2 Mn O11 P6 -","- C78 H78 Br2 Mn O11 P6 -","- C156 H156 Br4 Mn2 O22 P12 -","2","1","","Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.","""Two-in-one"" organic-inorganic hybrid Mn<sup>II</sup> complexes exhibiting dual-emissive phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7306","7315","10.1039/c8dt01041b","","x-ray","0.71073","MoKα","","0.0568","0.0421","","","0.1104","0.1199","","","","","","1.038","","","","has coordinates","229908","2020-10-21","18:00:00",""
"7046223","8.6076","0.0003","9.45","0.0005","10.8046","0.0004","90","","99.428","0.003","90","","866.99","0.06","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H16 B N S -","- C23 H16 B N S -","- C46 H32 B2 N2 S2 -","2","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0303","0.0275","","","0.0695","0.0705","","","","","","1.044","","","","has coordinates","229821","2020-10-21","18:00:00",""
"7046224","9.058","0.0006","10.2042","0.0007","10.5865","0.0007","72.129","0.005","79.861","0.005","78.732","0.005","906.25","0.11","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 B F2 N2 -","- C24 H17 B F2 N2 -","- C48 H34 B2 F4 N4 -","2","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0569","0.046","","","0.1228","0.1264","","","","","","1.099","","","","has coordinates,has disorder","229821","2020-10-21","18:00:00",""
"7046225","10.4501","0.0008","24.7509","0.0016","8.0062","0.0006","90","","120.52","0.005","90","","1783.9","0.2","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0616","0.045","","","0.0912","0.0966","","","","","","1.009","","","","has coordinates","229821","2020-10-21","18:00:00",""
"7046226","7.766","0.0004","13.7779","0.0007","17.7144","0.0009","70.971","0.004","82.959","0.004","89.145","0.004","1777.7","0.16","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H46 B Cl N2 -","- C41.5 H46 B Cl N2 -","- C83 H92 B2 Cl2 N4 -","2","1","","Stanoppi, Marco; Lorbach, Andreas","Boron-based donor-spiro-acceptor compounds exhibiting thermally activated delayed fluorescence (TADF).","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10394","10398","10.1039/c8dt01255e","","x-ray","0.71073","MoKα","","0.0766","0.0497","","","0.1152","0.1241","","","","","","1.023","","","","has coordinates,has disorder","229821","2020-10-21","18:00:00",""
"7046227","11.805","0.0006","19.864","0.001","11.843","0.0007","90","","90.262","0.002","90","","2777.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 Fe2 N32 O -","- C52 H36 Fe2 N32 O -","- C104 H72 Fe4 N64 O2 -","2","0.25","","Giménez-López, Maria Del Carmen; Clemente-León, Miguel; Giménez-Saiz, Carlos","Unravelling the spin-state of solvated [Fe(bpp)<sub>2</sub>]<sup>2+</sup> spin-crossover complexes: structure-function relationship.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10453","10462","10.1039/c8dt01269e","","","0.71073","MoKα","","0.1722","0.0807","","","0.1883","0.2577","","","","","","1.116","","","","has coordinates","229840","2020-10-21","18:00:00",""
"7046228","18.4284","0.0003","24.2368","0.0005","23.7068","0.0004","90","","110.995","0.0011","90","","9885.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 Cr2 Fe3 N42 O13 -","- C78 H54 Cr2 Fe3 N42 O13 -","- C312 H216 Cr8 Fe12 N168 O52 -","4","0.5","","Giménez-López, Maria Del Carmen; Clemente-León, Miguel; Giménez-Saiz, Carlos","Unravelling the spin-state of solvated [Fe(bpp)<sub>2</sub>]<sup>2+</sup> spin-crossover complexes: structure-function relationship.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10453","10462","10.1039/c8dt01269e","","","0.71073","MoKα","","0.1135","0.053","","","0.1551","0.1825","","","","","","0.872","","","","has coordinates","229840","2020-10-21","18:00:00",""
"7046229","11.1571","0.0016","22.941","0.003","23.007","0.004","90","","95.972","0.006","90","","5856.8","1.5","152","2","152","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H66 N8 O38 P4 Zn3 -","- C38 H66 N8 O38 P4 Zn3 -","- C152 H264 N32 O152 P16 Zn12 -","4","1","","Qiu, Qi-Ming; Gu, Leilei; Ma, Hongwei; Yan, Li; Liu, Minghua; Li, Hui","Double layer zinc-UDP coordination polymers: structure and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14174","14178","10.1039/c8dt01537f","","","0.71073","MoKα","","0.0558","0.0429","","","0.0983","0.1033","","","","","","1.042","","","","has coordinates","229731","2020-10-21","18:00:00",""
"7046230","9.925","0.0004","10.1565","0.0003","17.6017","0.0007","100.887","0.001","93.347","0.001","112.723","0.002","1590.15","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","7-(diphenylaminophenyl)benzo[b]phosphole oxide","","- C44 H32 N O P -","- C44 H32 N O P -","- C88 H64 N2 O2 P2 -","2","1","","Wakatsuki, Ayana; Yukimoto, Mariko; Minoura, Mao; Fujii, Kaori; Kimura, Yoshifumi; Matano, Yoshihiro","Regioselective functionalization at the 7-position of 1,2,3-triphenylbenzo[b]phosphole oxide via P[double bond, length as m-dash]O-directed lithiation.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7123","7127","10.1039/c8dt01503a","","","0.71073","MoKα","","0.0707","0.0518","","","0.1599","0.2269","","","","","","1.089","","","","has coordinates","229901","2020-10-21","18:00:00",""
"7046231","35.9407","0.001","10.2627","0.0004","32.052","0.0007","90","","94.421","0.002","90","","11787.2","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","BODIPY_phosphole","","- C72 H59 B F N2 O4.5 P2 -","- C72 H59 B F N2 O4.5 P2 -","- C576 H472 B8 F8 N16 O36 P16 -","8","1","","Wakatsuki, Ayana; Yukimoto, Mariko; Minoura, Mao; Fujii, Kaori; Kimura, Yoshifumi; Matano, Yoshihiro","Regioselective functionalization at the 7-position of 1,2,3-triphenylbenzo[b]phosphole oxide via P[double bond, length as m-dash]O-directed lithiation.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7123","7127","10.1039/c8dt01503a","","","0.78228","synchrotron","","0.0684","0.0573","","","0.1586","0.1716","","","","","","1.175","","","","has coordinates,has disorder","229901","2020-10-21","18:00:00",""
"7046232","22.0849","0.0006","14.9807","0.0004","47.3336","0.0012","90","","91.773","0.002","90","","15652.7","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H120 K2 N2 O11 Ti -","- C79 H120 K2 N2 O11 Ti -","- C632 H960 K16 N16 O88 Ti8 -","8","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1518","0.0766","","","0.1275","0.1535","","","","","","1.021","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046233","17.8325","0.0003","18.9575","0.0004","40.311","0.0007","90","","90","","90","","13627.5","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C69 H100 K2 O9 Ti -","- C69 H100 K2 O9 Ti -","- C552 H800 K16 O72 Ti8 -","8","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1216","0.0716","","","0.1265","0.145","","","","","","1.017","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046234","18.2683","0.0008","20.1451","0.0008","20.8247","0.0009","90","","101.267","0.004","90","","7516.1","0.6","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C150 H230 K4 O24 Ti2 -","- C150 H227.795 K4 O24 Ti2 -","- C300 H455.59 K8 O48 Ti4 -","2","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1533","0.0742","","","0.134","0.1618","","","","","","0.984","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046235","13.6112","0.0009","35.8757","0.0006","22.0952","0.0015","90","","138.195","0.013","90","","7192","2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H110 K2 O8 Ti -","- C77 H110 K2 O8 Ti -","- C308 H440 K8 O32 Ti4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.0954","0.0594","","","0.1297","0.1462","","","","","","1.023","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046236","42.5729","0.001","15.9089","0.0004","17.7244","0.0005","90","","95.135","0.002","90","","11956.3","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H94 Na2 O8 Ti -","- C55 H88 Na2 O8 Ti -","- C440 H704 Na16 O64 Ti8 -","8","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.0852","0.0506","","","0.1093","0.1232","","","","","","1.014","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046237","23.002","0.005","22.0576","0.001","39.098","0.008","90","","142.63","0.04","90","","12040","12","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 K4 O11 Ti2 -","- C126 H176 K4 O11 Ti2 -","- C504 H704 K16 O44 Ti8 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1385","0.0669","","","0.1224","0.1523","","","","","","1.038","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046238","10.7351","0.0006","16.1789","0.0009","17.9924","0.001","100.001","0.002","105.549","0.002","103.819","0.002","2827.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H104 B4 I2 N29 S10 U2 -","- C90 H104 B4 I2 N29 S10 U2 -","- C90 H104 B4 I2 N29 S10 U2 -","1","0.5","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.0552","0.0442","","","0.11","0.1139","","","","","","1.064","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046239","12.0828","0.0007","21.5636","0.001","19.5689","0.001","90","","95.239","0.002","90","","5077.4","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H97 B4 I2 N27 S8 U2 -","- C78 H97 B4 I2 N27 S8 U2 -","- C156 H194 B8 I4 N54 S16 U4 -","2","0.5","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.1159","0.0722","","","0.1606","0.179","","","","","","0.957","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046240","36.9304","0.0007","15.7162","0.0004","26.9494","0.0005","90","","131.508","0.001","90","","11713.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C118 H120 B6 N20 O3 S8 U2 -","- C118 H120 B6 N20 O3 S8 U2 -","- C472 H480 B24 N80 O12 S32 U8 -","4","0.5","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.0599","0.0352","","","0.0837","0.092","","","","","","1.099","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046241","21.492","0.003","12.195","0.004","22.05","0.002","90","","105.35","0.05","90","","5573","2","294","2","294","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 B2 I N8 O2 S4 U -","- C36 H48 B2 I N8 O2 S4 U -","- C144 H192 B8 I4 N32 O8 S16 U4 -","4","0.5","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.1138","0.087","","","0.2138","0.2408","","","","","","1.089","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046242","14.2831","0.0003","14.6707","0.0003","14.6867","0.0004","84.077","0.001","65.376","0.001","85.071","0.001","2779.56","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 B3 I N14 S6 U -","- C46 H54 B3 I N14 S6 U -","- C92 H108 B6 I2 N28 S12 U2 -","2","1","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.0459","0.0318","","","0.0593","0.0618","","","","","","1.036","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046243","7.6236","0.0002","8.5987","0.0003","13.1949","0.0004","83.56","0.001","78.969","0.002","79.551","0.001","832.21","0.04","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 B2 N8 O2 S4 U -","- C28 H32 B2 N8 O2 S4 U -","- C28 H32 B2 N8 O2 S4 U -","1","0.5","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.023","0.0229","","","0.0564","0.0564","","","","","","1.083","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046244","17.9457","0.0007","20.3574","0.0007","23.3731","0.0008","106.936","0.002","111.251","0.003","97.625","0.002","7336.2","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C139 H151 B8 N24 O S12 U2 -","- C139 H151 B8 N24 O S12 U2 -","- C278 H302 B16 N48 O2 S24 U4 -","2","1","","Maria, Leonor; Santos, Isabel C.; Santos, Isabel","Uranium(iii) complexes supported by hydrobis(mercaptoimidazolyl)borates: synthesis and oxidation chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10601","10612","10.1039/c8dt01149d","","","0.71073","MoKα","","0.1468","0.069","","","0.1332","0.1558","","","","","","0.909","","","","has coordinates","229831","2020-10-21","18:00:00",""
"7046245","12.3201","0.0002","17.4852","0.0004","34.1897","0.0006","90","","90","","90","","7365.1","0.2","180","0.3","180","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H80 Ca3 I2 O6 Si2 -","- C48 H80 Ca3 I2 O6 Si2 -","- C192 H320 Ca12 I8 O24 Si8 -","4","1","","Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12540","12545","10.1039/c8dt01046c","","x-ray","0.71073","MoKα","","0.0538","0.0511","","","0.1492","0.152","","","","","","1.142","","","","has coordinates","229918","2020-10-21","18:00:00",""
"7046246","16.1464","0.0003","14.7588","0.0002","20.6595","0.0005","90","","126.19","0.001","90","","3973.33","0.14","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Ca2 O5 -","- C44 H56 Ca2 O5 -","- C176 H224 Ca8 O20 -","4","1","","Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12540","12545","10.1039/c8dt01046c","","x-ray","0.71073","MoKα","","0.0479","0.0395","","","0.1043","0.1098","","","","","","1.046","","","","has coordinates","229918","2020-10-21","18:00:00",""
"7046247","10.2714","0.0002","21.1518","0.0005","37.3847","0.0005","88.666","0.001","85.424","0.001","80.768","0.002","7990.9","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H72 Ca3 O6 -","- C60 H72 Ca3 O6 -","- C360 H432 Ca18 O36 -","6","3","","Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12540","12545","10.1039/c8dt01046c","","x-ray","0.71073","MoKα","","0.1137","0.0986","","","0.2379","0.2495","","","","","","1.011","","","","has coordinates","229918","2020-10-21","18:00:00",""
"7046248","33.1191","0.0007","9.72325","0.00014","18.2372","0.0003","90","","94.9516","0.0018","90","","5850.92","0.18","112","3","112","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34.8 N2 O17.4 Zn3 -","- C36 H34.8 N2 O17.4 Zn3 -","- C144 H139.2 N8 O69.6 Zn12 -","4","0.5","","Medishetty, Raghavender; Zhang, Zongji; Sadlo, Alexander; Cwik, Stefan; Peeters, Daniel; Henke, Sebastian; Mangayarkarasi, Nagarathinam; Devi, Anjana","Fabrication of zinc-dicarboxylate- and zinc-pyrazolate-carboxylate-framework thin films through vapour-solid deposition.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14179","14183","10.1039/c8dt00352a","","x-ray","1.54184","CuKα","","0.0412","0.0402","","","0.1155","0.1166","","","","","","1.087","","","","has coordinates,has disorder","229737","2020-10-21","18:00:00",""
"7046249","30.914","0.0007","30.914","0.0007","30.914","","90","","90","","90","","29543.7","0.9","296","2","296","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C102 H69 Cu6 N3 O30 -","- C102 H57 Cu6 N3 O30 -","- C816 H456 Cu48 N24 O240 -","8","0.5","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Li, Saidan; He, Yabing","A metal-organic framework based on a custom-designed diisophthalate ligand exhibiting excellent hydrostability and highly selective adsorption of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> over CH<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7213","7221","10.1039/c8dt00863a","","","0.71073","MoKα","","0.1658","0.1355","","","0.3432","0.3786","","","","","","1.096","","","","has coordinates,has disorder","229905","2020-10-21","18:00:00",""
"7046250","8.7196","0.0002","10.9283","0.0003","25.1607","0.0008","91.865","0.002","98.509","0.002","112.973","0.003","2172.36","0.12","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H84 F N2 Si4 Sm -","- C36 H84 F N2 Si4 Sm -","- C72 H168 F2 N4 Si8 Sm2 -","2","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.05","0.04","","","0.0772","0.0837","","","","","","1.051","","","","has coordinates","229832","2020-10-21","18:00:00",""
"7046251","20.034","0.0004","20.2409","0.0004","24.0385","0.0005","90","","90","","90","","9747.8","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C39 H91 I N2 Si4 Sm -","- C39 H91 I N2 Si4 Sm -","- C312 H728 I8 N16 Si32 Sm8 -","8","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.0488","0.0342","","","0.0659","0.0731","","","","","","1.047","","","","has coordinates,has disorder","229832","2020-10-21","18:00:00",""
"7046252","15.8726","0.0004","13.1782","0.0003","22.6012","0.0006","90","","109.299","0.003","90","","4461.9","0.2","150.01","0.01","150.01","0.01","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 Cl N2 Si4 Sm -","- C36 H84 Cl N2 Si4 Sm -","- C144 H336 Cl4 N8 Si16 Sm4 -","4","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.0385","0.0286","","","0.0615","0.0658","","","","","","1.058","","","","has coordinates","229832","2020-10-21","18:00:00",""
"7046253","20.6319","0.0009","20.1603","0.0011","21.9662","0.001","90","","90","","90","","9136.7","0.8","150.01","0.01","150.01","0.01","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H84 Br N2 Si4 Sm -","- C36 H84 Br N2 Si4 Sm -","- C288 H672 Br8 N16 Si32 Sm8 -","8","1","","Goodwin, Conrad A. P.; Réant, Benjamin L L; Kragskow, Jon G. C.; DiMucci, Ida M.; Lancaster, Kyle M.; Mills, David P.; Sproules, Stephen","Heteroleptic samarium(iii) halide complexes probed by fluorescence-detected L<sub>3</sub>-edge X-ray absorption spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10613","10625","10.1039/c8dt01452c","","x-ray","0.71073","MoKα","","0.0857","0.0459","","","0.0889","0.1063","","","","","","1.036","","","","has coordinates,has disorder","229832","2020-10-21","18:00:00",""
"7046254","9.2905","0.0004","11.386","0.0005","11.8181","0.0005","87.612","0.002","78.857","0.002","67.979","0.002","1136.44","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","- C46 H56 Mg2 N8 O4 -","1","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.1365","0.0748","","","0.1454","0.162","","","","","","1.005","","","","has coordinates,has disorder","229215","2020-10-21","18:00:00",""
"7046255","21.373","0.004","9.3047","0.0019","15.635","0.003","90","","90","","90","","3109.3","1","150.01","0.1","150.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H42 N8 O2 Zn -","- C32 H42 N8 O2 Zn -","- C128 H168 N32 O8 Zn4 -","4","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0694","0.0452","","","0.0859","0.0972","","","","","","1.002","","","","has coordinates,has disorder","229215","2020-10-21","18:00:00",""
"7046256","11.9373","0.0004","18.0926","0.0006","11.3573","0.0004","90","","99.666","0.002","90","","2418.09","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Mg2 N8 O4 -","- C50 H64 Mg2 N8 O4 -","- C100 H128 Mg4 N16 O8 -","2","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0772","0.0505","","","0.1202","0.1302","","","","","","1.004","","","","has coordinates","229215","2020-10-21","18:00:00",""
"7046257","9.4589","0.0002","21.537","0.0005","15.3073","0.0004","90","","90","","90","","3118.35","0.13","150","0.1","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H42 Mg N8 O2 -","- C32 H42 Mg N8 O2 -","- C128 H168 Mg4 N32 O8 -","4","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.056","0.0449","","","0.1153","0.1215","","","","","","1.005","","","","has coordinates,has disorder","229215","2020-10-21","18:00:00",""
"7046258","19.6751","0.0016","10.1156","0.0008","21.2181","0.0017","90","","117.124","0.001","90","","3758.5","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C42 H46 N8 O2 Zn -","- C42 H46 N8 O2 Zn -","- C168 H184 N32 O8 Zn4 -","4","1","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0428","0.0356","","","0.0777","0.0801","","","","","","1.008","","","","has coordinates","229215","2020-10-21","18:00:00",""
"7046259","9.2699","0.0005","11.3956","0.0008","11.5913","0.0008","86.719","0.006","78.539","0.005","67.563","0.006","1108.97","0.14","173.01","0.1","173.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H56 N8 O4 Zn2 -","- C46 H56 N8 O4 Zn2 -","- C46 H56 N8 O4 Zn2 -","1","0.5","","Huang, Yong; Kou, Xin; Duan, Yu-Lai; Ding, Fei-Fei; Yin, Yi-Fan; Wang, Wei; Yang, Ying","Magnesium and zinc complexes bearing NNO-tridentate ketiminate ligands: synthesis, structures and catalysis in the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8121","8133","10.1039/c8dt00888d","","","0.71073","MoKα","","0.0361","0.0303","","","0.0653","0.0674","","","","","","1.012","","","","has coordinates","229215","2020-10-21","18:00:00",""
"7046260","6.4349","0.0002","7.7809","0.0002","9.6588","0.0003","81.476","0.001","81.597","0.001","86.714","0.001","472.82","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl4 N4 O5 Sb2 -","- C12 H10 Cl4 N4 O5 Sb2 -","- C12 H10 Cl4 N4 O5 Sb2 -","1","0.5","","Keogan, D. M.; Oliveira, S. S. C.; Sangenito, L. S.; Branquinha, M. H.; Jagoo, R. D.; Twamley, B.; Santos, A. L. S.; Griffith, D. M.","Novel antimony(iii) hydroxamic acid complexes as potential anti-leishmanial agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7245","7255","10.1039/c8dt00546j","","x-ray","0.71073","MoKα","","0.0237","0.0206","","","0.0461","0.047","","","","","","1.141","","","","has coordinates,has disorder","229899","2020-10-21","18:00:00",""
"7046261","10.9598","0.0004","4.9157","0.0002","27.3577","0.0011","90","","96.0053","0.0016","90","","1465.81","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N2 O4 Sb -","- C14 H12 Cl N2 O4 Sb -","- C56 H48 Cl4 N8 O16 Sb4 -","4","1","","Keogan, D. M.; Oliveira, S. S. C.; Sangenito, L. S.; Branquinha, M. H.; Jagoo, R. D.; Twamley, B.; Santos, A. L. S.; Griffith, D. M.","Novel antimony(iii) hydroxamic acid complexes as potential anti-leishmanial agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7245","7255","10.1039/c8dt00546j","","x-ray","0.71073","MoKα","","0.0214","0.0196","","","0.0445","0.045","","","","","","1.214","","","","has coordinates","229899","2020-10-21","18:00:00",""
"7046262","9.1379","0.0003","10.1593","0.0004","11.1638","0.0004","82.915","0.002","84.263","0.001","86.273","0.001","1021.87","0.06","100","","99.92","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H22 Cl2 N4 O6.5 Sb -","- C15 H22 Cl2 N4 O6.5 Sb -","- C30 H44 Cl4 N8 O13 Sb2 -","2","1","","Keogan, D. M.; Oliveira, S. S. C.; Sangenito, L. S.; Branquinha, M. H.; Jagoo, R. D.; Twamley, B.; Santos, A. L. S.; Griffith, D. M.","Novel antimony(iii) hydroxamic acid complexes as potential anti-leishmanial agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7245","7255","10.1039/c8dt00546j","","x-ray","0.71073","MoKα","","0.0259","0.0208","","","0.0419","0.0434","","","","","","1.083","","","","has coordinates,has disorder","229899","2020-10-21","18:00:00",""
"7046263","22.8739","0.0007","30.4914","0.0009","10.5514","0.0003","90","","90","","90","","7359.2","0.4","100","2","100","2","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C38 H32 B2 F8 N2 Ni O2 P2 -","- C38 H32 B2 F8 N2 Ni O2 P2 -","- C304 H256 B16 F64 N16 Ni8 O16 P16 -","8","0.5","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0579","0.0507","","","0.1159","0.1197","","","","","","1.111","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046264","14.4858","0.0013","14.8932","0.0013","15.1803","0.0012","91.309","0.003","108.166","0.003","118.187","0.003","2685.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H46 B F4 N3 Ni3 O4.5 P3 -","- C57 H46 B F4 N3 Ni3 O4.5 P3 -","- C114 H92 B2 F8 N6 Ni6 O9 P6 -","2","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0719","0.054","","","0.1021","0.108","","","","","","1.134","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046265","11.3092","0.0004","14.2034","0.0005","16.4001","0.0006","90.312","0.001","100.835","0.001","108.031","0.001","2454.58","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.96 H36.64 Cl2.27 F10 N2 Ni2 O2 P2 -","- C52.956 H36.64 Cl2.272 F10 N2 Ni2 O2 P2 -","- C105.912 H73.28 Cl4.544 F20 N4 Ni4 O4 P4 -","2","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0733","0.0493","","","0.0986","0.1075","","","","","","1.057","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046266","14.1984","0.0003","14.3857","0.0003","20.3796","0.0005","90","","105.754","0.001","90","","4006.25","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl6 N2 Ni O2 P2 -","- C40 H36 Cl5.9993 N2 Ni O2 P2 -","- C160 H144 Cl23.9972 N8 Ni4 O8 P8 -","4","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0371","0.03","","","0.069","0.0731","","","","","","1.042","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046267","12.9955","0.0007","10.6309","0.0005","13.5275","0.0007","90","","91.069","0.002","90","","1868.55","0.16","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl4 N2 Ni2 O2 P2 -","- C38 H32 Cl4 N2 Ni2 O2 P2 -","- C76 H64 Cl8 N4 Ni4 O4 P4 -","2","0.5","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0307","0.0261","","","0.065","0.0675","","","","","","1.044","","","","has coordinates","229898","2020-10-21","18:00:00",""
"7046268","18.2498","0.0006","18.0627","0.0006","23.1305","0.0008","90","","90","","90","","7624.8","0.4","100","2","100","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C39 H32 B2 Cl2 F6 N2 Ni O2 P2 -","- C39 H32 B2 Cl2 F6 N2 Ni O2 P2 -","- C312 H256 B16 Cl16 F48 N16 Ni8 O16 P16 -","8","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0504","0.0405","","","0.1073","0.1147","","","","","","1.018","","","","has coordinates,has disorder","229898","2020-10-21","18:00:00",""
"7046269","23.4743","0.0008","13.0781","0.0004","20.2265","0.0007","90","","90","","90","","6209.5","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C38 H30 N2 Ni O2 P2 -","- C38 H30 N2 Ni O2 P2 -","- C304 H240 N16 Ni8 O16 P16 -","8","2","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0287","0.0259","","","0.0611","0.0627","","","","","","1.045","","","","has coordinates","229898","2020-10-21","18:00:00",""
"7046270","13.1695","0.0005","17.5545","0.0007","17.72","0.0007","114.398","0.001","108.08","0.001","95.4562","0.001","3426.6","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H54 B2 Cl10 F8 N3 Ni2 O2 P3 -","- C62 H54 B2 Cl10 F8 N3 Ni2 O2 P3 -","- C124 H108 B4 Cl20 F16 N6 Ni4 O4 P6 -","2","1","","Basu, Debashis; Woods, Toby J.; Rauchfuss, Thomas B.","Ni(ii) complexes of the phosphine-oxime Ph<sub>2</sub>PC<sub>6</sub>H<sub>4</sub>-2-CH[double bond, length as m-dash]NOH.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7256","7262","10.1039/c8dt01551a","","","0.71073","MoKα","","0.0441","0.0326","","","0.0665","0.0714","","","","","","1.066","","","","has coordinates,has disorder","288187","2023-12-08","15:33:38",""
"7046271","21.242","0.013","7.928","0.005","22.557","0.014","90","","90","","90","","3799","4","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","Cd-MDIP","Cd-MDIP","","- C17 H14 Cd O10 -","- C17 H14 Cd O10 -","- C136 H112 Cd8 O80 -","8","0.5","","Li, Yang; Chang, Ziling; Huang, Fangmin; Wu, Pengyan; Chu, Huacong; Wang, Jian","A bi-metallic MOF catalyst via sensitive detection & adsorption of Fe<sup>3+</sup> ions for size-selective reaction prompting.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9267","9273","10.1039/c8dt01145a","","","0.71073","MoKα","","0.0606","0.0477","","","0.1235","0.1293","","","","","","1.011","","","","has coordinates","229198","2020-10-21","18:00:00",""
"7046272","22.6369","0.0003","12.3776","0.0002","25.1115","0.0003","90","","104.841","0.001","90","","6801.28","0.17","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 B2 Mg2 N4 O4 -","- C70 H108 B2 Mg2 N4 O4 -","- C280 H432 B8 Mg8 N16 O16 -","4","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.0607","0.0422","","","0.0989","0.1085","","","","","","1.014","","","","has coordinates","207701","2020-10-21","18:00:00",""
"7046273","37.2496","0.0005","37.2496","0.0005","14.5258","0.0002","90","","90","","90","","20155","0.5","150.01","0.1","150.01","0.1","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C47 H77 B3 Mg N2 O6 -","- C47 H77 B3 Mg N2 O6 -","- C752 H1232 B48 Mg16 N32 O96 -","16","","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.0793","0.0557","","","0.1311","0.1444","","","","","","1.035","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046274","12.8409","0.0004","35.1364","0.0008","11.0846","0.0002","90","","105.051","0.003","90","","4829.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 B3 Mg N2 O6 -","- C45 H73 B3 Mg N2 O6 -","- C180 H292 B12 Mg4 N8 O24 -","4","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.0868","0.0574","","","0.1361","0.1507","","","","","","1.057","","","","has coordinates","207701","2020-10-21","18:00:00",""
"7046275","15.16029","0.00017","27.6648","0.0003","21.7294","0.0002","90","","90","","90","","9113.45","0.17","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C45 H74 B2 Mg N2 O4 -","- C45 H74 B2 Mg N2 O4 -","- C360 H592 B16 Mg8 N16 O32 -","8","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","","1.54184","CuKα","","0.0746","0.0646","","","0.1671","0.1759","","","","","","1.039","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046276","45.271","0.003","18.2367","0.0007","37.898","0.002","90","","122.981","0.008","90","","26246","3","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H168 B6 Mg2 N4 O12 -","- C94 H154 B6 Mg2 N4 O12 -","- C752 H1232 B48 Mg16 N32 O96 -","8","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.1381","0.0781","","","0.2155","0.2621","","","","","","0.945","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046277","23.0365","0.0007","19.3651","0.0004","21.5333","0.0006","90","","116.442","0.004","90","","8601.2","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H126 B2 Mg2 N8 O4 -","- C84 H126 B2 Mg2 N8 O4 -","- C336 H504 B8 Mg8 N32 O16 -","4","1","","Hill, Michael; Mahon, Mary F.; Pecharman, Anne-Frederique","Diborane Heterolysis: Breaking and Making B-B bonds at Magnesium","Dalton Transactions","2018","","","","","10.1039/C8DT01451E","","x-ray","1.54184","CuKα","","0.0883","0.0575","","","0.1449","0.1623","","","","","","1.02","","","","has coordinates,has disorder","207701","2020-10-21","18:00:00",""
"7046278","13.7097","0.0017","13.8806","0.0018","14.7785","0.0019","111.475","0.002","99.521","0.002","107.062","0.002","2381.4","0.5","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H89 Cl4 F15 Ir4 N12 O15 S5 -","- C83 H89 Cl4 F15 Ir4 N12 O15 S5 -","- C83 H89 Cl4 F15 Ir4 N12 O15 S5 -","1","0.5","","Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7701","7708","10.1039/c8dt01140k","","","0.71073","MoKα","","0.0552","0.0395","","","0.1086","0.1233","","","","","","1.051","","","","has coordinates","229886","2020-10-21","18:00:00",""
"7046279","14.5885","0.0005","25.624","0.0009","17.9554","0.0007","90","","91.106","0.002","90","","6710.8","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C106 H150 Cl6 F18 N10 O22 Rh4 S6 -","- C106 H150 Cl6 F18 N10 O22 Rh4 S6 -","- C212 H300 Cl12 F36 N20 O44 Rh8 S12 -","2","0.5","","Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7701","7708","10.1039/c8dt01140k","","","1.54178","CuKα","","0.1131","0.0865","","","0.2241","0.2473","","","","","","1.014","","","","has coordinates","229886","2020-10-21","18:00:00",""
"7046280","13.5713","0.0016","13.5763","0.0016","18.221","0.002","71.237","0.002","76.757","0.002","65.095","0.002","2866","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H116 F12 Ir4 N20 O12 S4 -","- C96 H98 F12 Ir4 N14 O12 S4 -","- C96 H98 F12 Ir4 N14 O12 S4 -","1","0.5","","Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7701","7708","10.1039/c8dt01140k","","","0.71073","MoKα","","0.1104","0.0624","","","0.1773","0.2271","","","","","","0.977","","","","has coordinates,has disorder","229886","2020-10-21","18:00:00",""
"7046281","12.7585","0.0008","13.7394","0.0008","18.3544","0.0011","78.194","0.001","71.362","0.001","66.516","0.001","2785.1","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C100 H106 Cl8 F12 N14 O12 Rh4 S4 -","- C99 H104 Cl6 F12 N14 O12 Rh4 S4 -","- C99 H104 Cl6 F12 N14 O12 Rh4 S4 -","1","0.5","","Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7701","7708","10.1039/c8dt01140k","","","0.71073","MoKα","","0.0548","0.04","","","0.1266","0.1738","","","","","","1.057","","","","has coordinates,has disorder","229886","2020-10-21","18:00:00",""
"7046282","25.984","0.002","16.1535","0.0013","29.502","0.003","90","","93.887","0.001","90","","12354.5","1.9","203","2","203","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C111 H122 Cl8 F12 Ir4 N12 O16 S4 -","- C107 H104 Cl4 F12 Ir4 N12 O14 S4 -","- C428 H416 Cl16 F48 Ir16 N48 O56 S16 -","4","1","","Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin","Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7701","7708","10.1039/c8dt01140k","","","0.71073","MoKα","","0.1505","0.068","","","0.1772","0.2342","","","","","","0.996","","","","has coordinates","229886","2020-10-21","18:00:00",""
"7046283","8.629","0.0003","12.1305","0.0004","17.0785","0.0006","109.173","0.003","104.625","0.003","90.077","0.003","1626.85","0.11","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H24 Mo3 N10 O9 S -","- C19 H24 Mo3 N10 O9 S -","- C38 H48 Mo6 N20 O18 S2 -","2","1","","Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui","Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7412","7421","10.1039/c8dt00278a","","x-ray","0.71073","MoKα","","0.0508","0.0388","","","0.0855","0.0913","","","","","","1.019","","","","has coordinates,has disorder","229263","2020-10-21","18:00:00",""
"7046284","12.4659","0.0007","12.7032","0.0007","14.8254","0.0009","105.896","0.005","94.713","0.005","119.364","0.006","1901.1","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C18.04 H44.04 Mo3 N6 Na2 O22 S -","- C18.04 H44.04 Mo3 N6 Na2 O22 S -","- C36.08 H88.08 Mo6 N12 Na4 O44 S2 -","2","1","","Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui","Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7412","7421","10.1039/c8dt00278a","","","1.54184","CuKα","","0.073","0.0686","","","0.179","0.1832","","","","","","1.123","","","","has coordinates,has disorder","229263","2020-10-21","18:00:00",""
"7046285","15.0786","0.001","18.8242","0.001","7.2176","0.0005","90","","90","","90","","2048.7","0.2","173","2","173","","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C16 H12 Mo6 Na6 O32 -","- C16 H12 Mo6 Na6 O32 -","- C32 H24 Mo12 Na12 O64 -","2","0.25","","Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui","Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7412","7421","10.1039/c8dt00278a","","","1.54184","CuKα","","0.0559","0.0546","","","0.1511","0.1541","","","","","","1.062","","","","has coordinates","229263","2020-10-21","18:00:00",""
"7046286","10.6194","0.0005","11.9177","0.0005","14.7094","0.001","90.197","0.004","106.313","0.005","110.829","0.004","1658.78","0.17","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Mo6 N20 O16 -","- C36 H50 Mo6 N20 O16 -","- C36 H50 Mo6 N20 O16 -","1","0.5","","Wang, Si-Yuan; Jin, Wan-Ting; Chen, Hong-Bin; Zhou, Zhao-Hui","Comparison of hydroxycarboxylato imidazole molybdenum(iv) complexes and nitrogenase protein structures: indirect evidence for the protonation of homocitrato FeMo-cofactors.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7412","7421","10.1039/c8dt00278a","","x-ray","0.71073","MoKα","","0.0689","0.052","","","0.1138","0.1199","","","","","","1.031","","","","has coordinates,has disorder","229263","2020-10-21","18:00:00",""
"7046287","9.8257","0.0002","14.6666","0.0003","23.2957","0.0004","90","","90","","90","","3357.13","0.11","250","","250","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C9 H12 Bi2 I9 N3 S3 -","- C9.0012 H12 Bi2 I9 N3.0004 S3 -","- C36.0048 H48 Bi8 I36 N12.0016 S12 -","4","0.5","","Li, Tianyue; Wang, Qifei; Nichol, Gary S.; Morrison, Carole A.; Han, Hongwei; Hu, Yue; Robertson, Neil","Extending lead-free hybrid photovoltaic materials to new structures: thiazolium, aminothiazolium and imidazolium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7050","7058","10.1039/c8dt00864g","","x-ray","0.71073","MoKα","","0.0609","0.059","","","0.1151","0.1159","","","","","","1.332","","","","has coordinates,has disorder","229703","2020-10-21","18:00:00",""
"7046288","18.5429","0.0004","7.53048","0.00019","19.1421","0.0006","90","","90","","90","","2672.94","0.12","120","0.1","120","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H5 Bi I4 N2 S -","- C3 H5 Bi I4 N2 S -","- C24 H40 Bi8 I32 N16 S8 -","8","1","","Li, Tianyue; Wang, Qifei; Nichol, Gary S.; Morrison, Carole A.; Han, Hongwei; Hu, Yue; Robertson, Neil","Extending lead-free hybrid photovoltaic materials to new structures: thiazolium, aminothiazolium and imidazolium iodobismuthates.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7050","7058","10.1039/c8dt00864g","","x-ray","0.71073","MoKα","","0.0499","0.0412","","","0.0769","0.0802","","","","","","1.11","","","","has coordinates","229703","2020-10-21","18:00:00",""
"7046289","10.7692","0.0003","10.8103","0.0003","19.6786","0.0005","88.619","0.002","80.96","0.002","69.139","0.002","2112.92","0.1","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H66 Dy N7 Si2 -","- C38 H66 Dy N7 Si2 -","- C76 H132 Dy2 N14 Si4 -","2","1","","Chen, Xiao-Xiang; Ma, Fang; Xu, Mei-Xing; Bi, Jin-Cheng; Sun, Hao-Ling; Wang, Bing-Wu; Gao, Song","A neutral auxiliary ligand enhanced dysprosium(iii) single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7395","7398","10.1039/c8dt01102h","","x-ray","0.71073","MoKα","","0.0195","0.018","","","0.0446","0.0451","","","","","","1.07","","","","has coordinates,has disorder","229257","2020-10-21","18:00:00",""
"7046290","7.1811","0.0003","26.8955","0.0013","13.1818","0.0007","90","","97.643","0.005","90","","2523.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","compound_7","","- C32 H52 Cl4 Cu2 N12 O16 S4 -","- C32 H52 Cl4 Cu2 N12 O16 S4 -","- C64 H104 Cl8 Cu4 N24 O32 S8 -","2","0.5","","Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah","DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7551","7560","10.1039/c8dt00716k","","","0.71073","MoKα","","0.0876","0.0487","","","0.0916","0.1084","","","","","","1.016","","","","has coordinates","229259","2020-10-21","18:00:00",""
"7046291","20.903","0.004","6.522","0.002","21.396","0.01","90","","113.45","0.02","90","","2676","1.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound_3","","- C16 H26 Co N8 O14 S2 -","- C16 H26 Co N8 O14 S2 -","- C64 H104 Co4 N32 O56 S8 -","4","1","","Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah","DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7551","7560","10.1039/c8dt00716k","","","0.71073","MoKα","","0.0738","0.0488","","","0.0855","0.0969","","","","","","1.098","","","","has coordinates","229259","2020-10-21","18:00:00",""
"7046292","20.7776","0.0011","6.5108","0.0004","21.3007","0.0011","90","","114.08","0.001","90","","2630.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","compound_13","","- C16 H26 N8 O14 S2 Zn -","- C16 H26 N8 O14 S2 Zn -","- C64 H104 N32 O56 S8 Zn4 -","4","1","","Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah","DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7551","7560","10.1039/c8dt00716k","","","0.71073","MoKα","","0.0651","0.0411","","","0.0736","0.0836","","","","","","0.971","","","","has coordinates","229259","2020-10-21","18:00:00",""
"7046293","7.2258","0.0005","10.8229","0.0008","16.4296","0.0012","90","","90.376","0.005","90","","1284.83","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","compound_9","","- C8 H13 Cu0.5 N4 O7 S -","- C8 H13 Cu0.5 N4 O7 S -","- C32 H52 Cu2 N16 O28 S4 -","4","1","","Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah","DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7551","7560","10.1039/c8dt00716k","","","0.71073","MoKα","","0.0718","0.0469","","","0.0955","0.1112","","","","","","1.035","","","","has coordinates","229259","2020-10-21","18:00:00",""
"7046294","13.8177","0.0005","13.8177","0.0005","16.3601","0.0011","90","","90","","90","","3123.6","0.3","295.15","","295.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H32 Br3 N3 O8 Pb2 -","- C22 H32 Br3 N3 O8 Pb2 -","- C88 H128 Br12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71076","MoKα","","0.0336","0.0269","","","0.05","0.0517","","","","","","1.074","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046295","13.919","0.001","13.919","0.001","17.003","0.003","90","","90","","90","","3294.1","0.7","278.15","","278.15","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H32 I3 N3 O8 Pb2 -","- C22 H32 I3 N3 O8 Pb2 -","- C88 H128 I12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71076","MoKα","","0.0193","0.0171","","","0.0364","0.0369","","","","","","1.105","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046296","13.9257","0.0016","13.9257","0.0016","17.035","0.004","90","","90","","90","","3303.5","0.9","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H32 I3 N3 O8 Pb2 -","- C22 H32 I3 N3 O8 Pb2 -","- C88 H128 I12 N12 O32 Pb8 -","4","0.5","","Liu, Shao-Xian; Yuan, Guo-Jun; Zhai, Lu; Wang, Lifeng; Luo, Hong-Bin; Ren, Xiao-Ming","Dual emissions and thermochromic luminescences of isomorphic chiral twofold interpenetrated 3-D nets built from I<sup>1</sup>O<sup>2</sup> type hybrid inorganic-organic frameworks of [NH<sub>2</sub>(CH<sub>3</sub>)<sub>2</sub>]<sub>3</sub>[Pb<sub>2</sub>X<sub>3</sub>(BDC)<sub>2</sub>] (X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14233","14240","10.1039/c8dt01469h","","","0.71073","MoKα","","0.0182","0.0165","","","0.04","0.0403","","","","","","1.19","","","","has coordinates","229734","2020-10-21","18:00:00",""
"7046297","11.32","0.0008","19.1507","0.0013","21.3105","0.0015","103.801","0.001","93.304","0.001","106.755","0.001","4256.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H131 Rh4 Si4 Sn2 -","- C91 H131 Rh4 Si4 Sn2 -","- C182 H262 Rh8 Si8 Sn4 -","2","1","","Saito, Masaichi; Matsunaga, Naoki; Hamada, Jumpei; Furukawa, Shunsuke; Minoura, Mao; Wegner, Susann; Barthel, Juri; Janiak, Christoph","Heterobimetallic triple-decker complexes derived from a dianionic aromatic stannole ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8892","8896","10.1039/c8dt01455h","","","0.71073","MoKα","","0.021","0.019","","","0.0464","0.0478","","","","","","1.008","","","","has coordinates","229310","2020-10-21","18:00:00",""
"7046298","11.5013","0.0016","33.864","0.005","11.9402","0.0016","90","","104.666","0.002","90","","4498.9","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H144 O Rh2 Ru2 Si4 Sn2 -","- C96 H144 O Rh2 Ru2 Si4 Sn2 -","- C192 H288 O2 Rh4 Ru4 Si8 Sn4 -","2","0.5","","Saito, Masaichi; Matsunaga, Naoki; Hamada, Jumpei; Furukawa, Shunsuke; Minoura, Mao; Wegner, Susann; Barthel, Juri; Janiak, Christoph","Heterobimetallic triple-decker complexes derived from a dianionic aromatic stannole ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8892","8896","10.1039/c8dt01455h","","","0.71073","MoKα","","0.048","0.0306","","","0.058","0.0635","","","","","","1.002","","","","has coordinates,has disorder","229310","2020-10-21","18:00:00",""
"7046299","10.5003","0.0013","13.9842","0.0017","24.484","0.003","90","","90.618","0.003","90","","3595","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 Co N3 P Si -","- C37 H56 Co N3 P Si -","- C148 H224 Co4 N12 P4 Si4 -","4","1","","Simler, Thomas; Choua, Sylvie; Danopoulos, Andreas A.; Braunstein, Pierre","Reactivity of a dearomatised pincer Co<sup>II</sup>Br complex with PNC<sup>NHC</sup> donors: alkylation and Si-H bond activation via metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7888","7895","10.1039/c8dt01279b","","","0.71073","MoKα","","0.0656","0.0443","","","0.0928","0.1032","","","","","","1.03","","","","has coordinates","229217","2020-10-21","18:00:00",""
"7046300","13.8439","0.0006","17.8666","0.0008","16.9012","0.0007","90","","93.154","0.001","90","","4174.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H56 Br Co N3 P Si -","- C45 H56 Br Co N3 P Si -","- C180 H224 Br4 Co4 N12 P4 Si4 -","4","1","","Simler, Thomas; Choua, Sylvie; Danopoulos, Andreas A.; Braunstein, Pierre","Reactivity of a dearomatised pincer Co<sup>II</sup>Br complex with PNC<sup>NHC</sup> donors: alkylation and Si-H bond activation via metal-ligand cooperation.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7888","7895","10.1039/c8dt01279b","","","0.71073","MoKα","","0.0725","0.0486","","","0.1116","0.1265","","","","","","1.079","","","","has coordinates","229217","2020-10-21","18:00:00",""
"7046301","12.009","0.0011","13.2871","0.0013","25.952","0.002","90","","90","","90","","4141","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Triethylammonium tetrachlorozincate","","- C12 H32 Cl4 N2 Zn -","- C12 H32 Cl4 N2 Zn -","- C96 H256 Cl32 N16 Zn8 -","8","1","","Kore, Rajkumar; Kelley, Steven P.; Aduri, Pavankumar; Rogers, Robin D.","Mixed metal double salt ionic liquids comprised of [HN<sub>222</sub>]<sub>2</sub>[ZnCl<sub>4</sub>] and AlCl<sub>3</sub> provide tunable Lewis acid catalysts related to the ionic environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7795","7803","10.1039/c8dt00976g","","","0.71073","MoKα","","0.1338","0.0698","","","0.1597","0.1973","","","","","","1.015","","","","has coordinates","229891","2020-10-21","18:00:00",""
"7046302","7.607","0.002","12.693","0.004","14.162","0.003","90","","97.859","0.017","90","","1354.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triethylammonium tetrachloroaluminate","","- C6 H16 Al Cl4 N -","- C6 H16 Al Cl4 N -","- C24 H64 Al4 Cl16 N4 -","4","1","","Kore, Rajkumar; Kelley, Steven P.; Aduri, Pavankumar; Rogers, Robin D.","Mixed metal double salt ionic liquids comprised of [HN<sub>222</sub>]<sub>2</sub>[ZnCl<sub>4</sub>] and AlCl<sub>3</sub> provide tunable Lewis acid catalysts related to the ionic environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7795","7803","10.1039/c8dt00976g","","","0.71073","MoKα","","0.1004","0.0437","","","0.0825","0.0989","","","","","","0.991","","","","has coordinates","229891","2020-10-21","18:00:00",""
"7046303","8.5982","0.0002","10.1946","0.0002","14.0611","0.0004","76.167","0.001","75.001","0.001","90.05","0.002","1153.42","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Co N9 Nd O11 -","- C12 H22 Co N9 Nd O11 -","- C24 H44 Co2 N18 Nd2 O22 -","2","1","","Chorazy, Szymon; Charytanowicz, Tomasz; Wang, Junhao; Ohkoshi, Shin-Ichi; Sieklucka, Barbara","Hybrid organic-inorganic connectivity of Nd<sup>III</sup>(pyrazine-N,N'-dioxide)[Co<sup>III</sup>(CN)<sub>6</sub>]<sup>3-</sup> coordination chains for creating near-infrared emissive Nd(iii) showing field-induced slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7870","7874","10.1039/c8dt01464g","","x-ray","0.71073","MoKα","","0.0325","0.0237","","","0.0575","0.0784","","","","","","1.193","","","","has coordinates","229214","2020-10-21","18:00:00",""
"7046304","7.1768","0.0005","7.3352","0.0005","7.8852","0.0006","115.541","0.007","110.288","0.007","96.89","0.006","333.02","0.06","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Cl4 Fe N6 -","- C8 H12 Cl4 Fe N6 -","- C8 H12 Cl4 Fe N6 -","1","0.5","","Rusbridge, Elizabeth K.; Peng, Yan; Powell, Annie K.; Robinson, David; Fitzpatrick, Anthony J.","An octahedral tetrachlorido Fe(ii) complex with aminopyrazinium ligands from a serendipitous redox synthesis exhibiting magnetic exchange through non-covalent 3-D architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7644","7648","10.1039/c8dt01401a","","x-ray","0.71073","MoKα","","0.0356","0.0321","","","0.1003","0.1059","","","","","","0.821","","","","has coordinates","229884","2020-10-21","18:00:00",""
"7046305","11.598","0.0017","9.2935","0.0014","9.4641","0.0014","90","","90","","90","","1020.1","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H17 Cl N2 -","- C9 H17 Cl N2 -","- C36 H68 Cl4 N8 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.0622","0.052","","","0.1174","0.1225","","","","","","1.099","","","","has coordinates","229834","2020-10-21","18:00:00",""
"7046306","14.8002","0.0011","10.1736","0.0008","17.7991","0.0014","90","","106.389","0.001","90","","2571.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N2 P -","- C27 H43 N2 P -","- C108 H172 N8 P4 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.0774","0.0601","","","0.1644","0.1786","","","","","","1.028","","","","has coordinates,has disorder","229834","2020-10-21","18:00:00",""
"7046307","17.1251","0.0014","8.5823","0.0006","20.778","0.0015","90","","96.75","0.005","90","","3032.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 F3 N2 O3 P S -","- C28 H44 F3 N2 O3 P S -","- C112 H176 F12 N8 O12 P4 S4 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.108","0.0705","","","0.1672","0.1894","","","","","","1.048","","","","has coordinates,has disorder","229834","2020-10-21","18:00:00",""
"7046308","28.528","0.005","8.5749","0.0015","27.535","0.005","90","","115.543","0.003","90","","6077.4","1.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H90 Cl2 F12 N4 P4 -","- C55 H90 Cl2 F12 N4 P4 -","- C220 H360 Cl8 F48 N16 P16 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.128","0.0804","","","0.196","0.2261","","","","","","1.045","","","","has coordinates","229834","2020-10-21","18:00:00",""
"7046309","17.607","0.0007","10.5766","0.0004","15.3298","0.0007","90","","96.971","0.003","90","","2833.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Cl2 N2 P Pd -","- C27 H43 Cl2 N2 P Pd -","- C108 H172 Cl8 N8 P4 Pd4 -","4","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.1188","0.0531","","","0.1066","0.1353","","","","","","1.004","","","","has coordinates","229834","2020-10-21","18:00:00",""
"7046310","37.4034","0.0009","8.122","0.0002","19.1281","0.0004","90","","107.542","0.002","90","","5540.7","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H46 Cl N2 O P -","- C27 H46 Cl N2 O P -","- C216 H368 Cl8 N16 O8 P8 -","8","1","","Morales Salazar, Daniel; Gupta, Arvind Kumar; Orthaber, Andreas","Reactivity studies of an imine-functionalised phosphaalkene; unusual electrostatic and supramolecular stabilisation of a σ<sup>2</sup>λ<sup>3</sup>-phosphorus motif via hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10404","10409","10.1039/c8dt01607k","","","0.71073","MoKα","","0.0783","0.054","","","0.1499","0.1681","","","","","","1.057","","","","has coordinates","229834","2020-10-21","18:00:00",""
"7046311","14.459","0.0006","9.83","0.0004","15.3574","0.0006","90","","90","","90","","2182.78","0.15","100","1","100","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H26 B Be I N6 O2 -","- C17 H26 B Be I N6 O2 -","- C68 H104 B4 Be4 I4 N24 O8 -","4","0.5","","Naglav, Dominik; Tobey, Briac; Dzialkowski, Kevin; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Schulz, Stephan","Solvent-induced ion separation of a beryllium scorpionate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12511","12515","10.1039/c8dt01640b","","","0.71073","MoKα","","0.0463","0.0343","","","0.0711","0.0743","","","","","","1.19","","","","has coordinates,has disorder","229929","2020-10-21","18:00:00",""
"7046312","31.5754","0.0006","9.8714","0.0002","28.6481","0.0005","90","","102.042","0.002","90","","8732.9","0.3","130","2","130","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H106 Au4 Cl4 N14 O6 P4 S2 -","- C78 H106 Au4 Cl4 N14 O6 P4 S2 -","- C312 H424 Au16 Cl16 N56 O24 P16 S8 -","4","0.5","","Nikolaeva, Yu A.; Balueva, A. S.; Khafizov, A. A.; Strelnik, I. D.; Gerasimova, T. P.; Katsyuba, S. A.; Litvinov, I. A.; Musina, E. I.; Karasik, A. A.; Sinyashin, O. G.","The first representatives of tetranuclear gold(i) complexes of P,N-containing cyclophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7715","7720","10.1039/c8dt01073k","","","0.71073","MoKα","","0.0527","0.0359","","","0.0674","0.0736","","","","","","1.052","","","","has coordinates,has disorder","229892","2020-10-21","18:00:00",""
"7046313","12.294","0.004","14.695","0.005","14.999","0.005","90.376","0.004","101.121","0.004","105.999","0.004","2550.7","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35.5 H44.5 Au2 Cl2 N5.5 O2.5 P2 -","- C35.5 H44.5 Au2 Cl2 N5.5 O2.5 P2 -","- C71 H89 Au4 Cl4 N11 O5 P4 -","2","1","","Nikolaeva, Yu A.; Balueva, A. S.; Khafizov, A. A.; Strelnik, I. D.; Gerasimova, T. P.; Katsyuba, S. A.; Litvinov, I. A.; Musina, E. I.; Karasik, A. A.; Sinyashin, O. G.","The first representatives of tetranuclear gold(i) complexes of P,N-containing cyclophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7715","7720","10.1039/c8dt01073k","","","0.71073","MoKα","","0.0712","0.0476","","","0.1507","0.1679","","","","","","1.068","","","","has coordinates,has disorder","229892","2020-10-21","18:00:00",""
"7046314","20.193","0.0001","12.2268","0.0001","20.7097","0.0001","90","","110.639","0.0008","90","","4784.97","0.06","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Au B Cl K N2 O6 -","- C45 H68 Au B Cl K N2 O6 -","- C180 H272 Au4 B4 Cl4 K4 N8 O24 -","4","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.029","0.0279","","0.0749","0.0736","0.0749","","","","","","0.9989","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046315","45.7252","0.0011","9.8319","0.0002","26.8014","0.0007","90","","121.195","0.003","90","","10306.8","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C51 H49 Au B Cl2 F15 N2 S -","- C51 H49 Au B Cl2 F15 N2 S -","- C408 H392 Au8 B8 Cl16 F120 N16 S8 -","8","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0568","0.046","","","0.1215","0.1298","","","","","","1.032","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046316","10.2855","0.0003","18.7038","0.0006","18.8973","0.0006","65.703","0.003","86.873","0.002","75.689","0.002","3206.01","0.19","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H59 Ag B Cl F15 N2 P -","- C70 H59 Ag B Cl F15 N2 P -","- C140 H118 Ag2 B2 Cl2 F30 N4 P2 -","2","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0486","0.0465","","0.1232","0.1202","0.1232","","","","","","0.9981","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046317","10.3694","0.0002","18.5119","0.0004","36.3773","0.0007","90","","92.5374","0.0018","90","","6976","0.2","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Au B Cl F15 Li N2 O4 -","- C62 H71 Au B Cl F15 Li N2 O4 -","- C248 H284 Au4 B4 Cl4 F60 Li4 N8 O16 -","4","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0668","0.0593","","0.1536","0.1466","0.1535","","","","","","1.0127","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046318","12.7458","0.0002","15.9989","0.0002","24.8594","0.0005","90","","90","","90","","5069.3","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 B F15 N2 -","- C54 H56 B F15 N2 -","- C216 H224 B4 F60 N8 -","4","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.056","0.0521","","0.1392","0.1327","0.1392","","","","","","0.9895","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046319","13.5887","0.0002","16.1053","0.0003","19.7259","0.0004","73.0951","0.0018","72.358","0.0014","88.3671","0.0013","3927.78","0.13","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H73 Au B Cl3 F15 N3 P2 -","- C84 H73 Au B Cl3 F15 N3 P2 -","- C168 H146 Au2 B2 Cl6 F30 N6 P4 -","2","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0323","0.0317","","0.0846","0.0837","0.0846","","","","","","1.0087","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046320","10.7821","0.0003","15.9984","0.0004","19.1481","0.0003","76.242","0.0018","76.8789","0.0018","79.594","0.002","3096.33","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Al F27 N2 O3 -","- C54 H62 Al F27 N2 O3 -","- C108 H124 Al2 F54 N4 O6 -","2","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.1083","0.1037","","0.242","0.2394","0.242","","","","","","0.9425","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046321","37.8966","0.0005","12.0225","0.0002","24.5124","0.0003","90","","103.413","0.002","90","","10863.5","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H66 Au B Cl N3 P2 -","- C62 H66 Au B Cl N3 P2 -","- C496 H528 Au8 B8 Cl8 N24 P16 -","8","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.54184","CuKα","","0.0387","0.0322","","","0.0819","0.0878","","","","","","0.998","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046322","15.638","0.0004","18.9977","0.0005","16.7378","0.0004","90","","90","","90","","4972.6","0.2","200","2","200","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C52 H72 Au2 B2 N4 -","- C52 H72 Au2 B2 N4 -","- C208 H288 Au8 B8 N16 -","4","0.5","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.54184","CuKα","","0.0469","0.0315","","","0.066","0.0726","","","","","","1.014","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046323","12.277","0.0005","12.9302","0.0006","17.4766","0.0008","84.133","0.004","85.803","0.004","62.488","0.005","2446.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H47 B F15 Li N2 -","- C53 H47 B F15 Li N2 -","- C106 H94 B2 F30 Li2 N4 -","2","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0856","0.0613","","","0.1509","0.1728","","","","","","1.065","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046324","23.1811","0.0005","11.0911","0.0003","43.6034","0.0012","90","","92.608","0.002","90","","11199","0.5","150","","150","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C57 H60 B F15 N4 -","- C57 H60 B F15 N4 -","- C456 H480 B8 F120 N32 -","8","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0713","0.0591","","0.1651","0.1537","0.1649","","","","","","0.9763","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046325","19.6076","0.0002","10.1529","0.0001","35.4924","0.0003","90","","93.2699","0.0008","90","","7054.11","0.12","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70 H59 B Cl Cu F15 N2 P -","- C70 H59 B Cl Cu F15 N2 P -","- C280 H236 B4 Cl4 Cu4 F60 N8 P4 -","4","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.064","0.0611","","0.1742","0.1698","0.1742","","","","","","1.0008","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046326","12.172","0.0005","16.2564","0.0007","17.7217","0.0005","68.934","0.003","72.219","0.003","70.185","0.004","3010.5","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C125 H128 B2 F30 N4 -","- C125 H128 B2 F30 N4 -","- C125 H128 B2 F30 N4 -","1","0.5","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.0502","0.0456","","0.123","0.118","0.123","","","","","","0.973","","","","has coordinates,has disorder","229258","2020-10-21","18:00:00",""
"7046327","11.3057","0.0014","15.635","0.002","19.34","0.002","106.144","0.001","91.393","0.001","105.695","0.001","3143","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","EuLH","Eu-bpy2-en-H2","","- C27 H28.5 Eu N10.5 O9 -","- C27 H28.5 Eu N10.5 O9 -","- C108 H114 Eu4 N42 O36 -","4","2","","Ogata, Shuhei; Goto, Naoto; Sakurai, Shoya; Ishii, Ayumi; Hatanaka, Miho; Yoshihara, Koushi; Tanabe, Ryota; Kayano, Kyosuke; Magaribuchi, Ryo; Goto, Kenta; Hasegawa, Miki","Alkyl chain elongation and acyl group effects in a series of Eu/Tb complexes with hexadentate π-electronic skeletons and their enhanced luminescence in solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7135","7143","10.1039/c7dt04899h","","","0.71073","MoKα","","0.0446","0.0309","","","0.0631","0.0677","","","","","","1.023","","","","has coordinates","229903","2020-10-21","18:00:00",""
"7046328","8.913","0.005","9.995","0.006","12.184","0.008","93.893","0.013","97.531","0.013","101.566","0.016","1049.2","1.1","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H31 Al N4 O -","- C18 H31 Al N4 O -","- C36 H62 Al2 N8 O2 -","2","1","","Martínez, J; Martínez de Sarasa Buchaca, M; de la Cruz-Martínez, F; Alonso-Moreno, C; Sánchez-Barba, L F; Fernandez-Baeza, J; Rodríguez, A M; Rodríguez-Diéguez, A; Castro-Osma, J A; Otero, A.; Lara-Sánchez, A","Versatile organoaluminium catalysts based on heteroscorpionate ligands for the preparation of polyesters.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7471","7479","10.1039/c8dt01553h","","","0.71073","MoKα","","0.0866","0.0557","","","0.1361","0.1528","","","","","","1.062","","","","has coordinates","229266","2020-10-21","18:00:00",""
"7046329","10.3817","0.0006","10.7672","0.0007","10.8726","0.0007","102.164","0.002","95.02","0.002","91.554","0.002","1182.22","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H66 Al2 N8 O2 -","- C49 H66 Al2 N8 O2 -","- C49 H66 Al2 N8 O2 -","1","0.5","","Martínez, J; Martínez de Sarasa Buchaca, M; de la Cruz-Martínez, F; Alonso-Moreno, C; Sánchez-Barba, L F; Fernandez-Baeza, J; Rodríguez, A M; Rodríguez-Diéguez, A; Castro-Osma, J A; Otero, A.; Lara-Sánchez, A","Versatile organoaluminium catalysts based on heteroscorpionate ligands for the preparation of polyesters.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7471","7479","10.1039/c8dt01553h","","","0.71069","MoKα","","0.0609","0.0418","","","0.0936","0.1027","","","","","","1.038","","","","has coordinates,has disorder","229266","2020-10-21","18:00:00",""
"7046330","12.2276","0.001","17.7227","0.0014","33.64","0.003","96.43","0.001","94.745","0.001","96.227","0.001","7168.1","1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H54 Cs3.5 Mo18 N4 O102 P3 -","- C28 H12 Cs3.5 Mo18 N4 O102 P3 -","- C56 H24 Cs7 Mo36 N8 O204 P6 -","2","1","","Wang, Jin; Shi, Wenjie; Li, Shujie; Mao, Qiyun; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7949","7955","10.1039/c8dt01540f","","","0.71073","MoKα","","0.0943","0.0754","","","0.2065","0.2268","","","","","","1.007","","","","has coordinates","229212","2020-10-21","18:00:00",""
"7046331","20.9083","0.0014","24.6633","0.0016","30.156","0.002","76.691","0.001","89.389","0.001","71.441","0.001","14312.8","1.6","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H140 Mo36 N12 O181 P8 -","- C66 H90 Mo36 N12 O181 P8 -","- C132 H180 Mo72 N24 O362 P16 -","2","1","","Wang, Jin; Shi, Wenjie; Li, Shujie; Mao, Qiyun; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7949","7955","10.1039/c8dt01540f","","","0.71073","MoKα","","0.1557","0.0834","","","0.2423","0.3095","","","","","","1.032","","","","has coordinates","229212","2020-10-21","18:00:00",""
"7046332","14.2999","0.0006","15.2346","0.0006","21.7715","0.0009","107.383","0.001","97.559","0.001","110.405","0.001","4092.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H68 Mo12 N9 O67 P3 -","- C16 H8 Mo12 N9 O67 P3 -","- C32 H16 Mo24 N18 O134 P6 -","2","1","","Wang, Jin; Shi, Wenjie; Li, Shujie; Mao, Qiyun; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7949","7955","10.1039/c8dt01540f","","","0.71073","MoKα","","0.0557","0.0487","","","0.1306","0.1377","","","","","","1.024","","","","has coordinates","229212","2020-10-21","18:00:00",""
"7046333","14.262","0.0008","15.3211","0.0008","21.2677","0.0011","79.955","0.001","76.111","0.001","70.015","0.001","4217.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H58 Mo12 N9 O59 P3 -","- C16 H8 Mo12 N9 O59 P3 -","- C32 H16 Mo24 N18 O118 P6 -","2","1","","Wang, Jin; Shi, Wenjie; Li, Shujie; Mao, Qiyun; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Construction of a new binding manner in carboxylic acid-functionalized phosphomolybdates.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7949","7955","10.1039/c8dt01540f","","","0.71073","MoKα","","0.0671","0.0551","","","0.1533","0.1687","","","","","","1.017","","","","has coordinates","229212","2020-10-21","18:00:00",""
"7046334","45.1476","0.0007","45.1476","0.0007","45.1476","0.0007","90","","90","","90","","92025","2","173","2","173","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C108 H48 N24 O50 Zn9 -","- C108 H48 N24 O50 Zn9 -","- C1728 H768 N384 O800 Zn144 -","16","0.166667","","Cui, Zheng; Zhou, Lei; Qin, Bowen; Zhou, Baolei; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Selective chiral symmetry breaking and luminescence sensing of a Zn(ii) metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7934","7940","10.1039/c8dt00939b","","","0.71073","MoKα","","0.1165","0.0842","","","0.2704","0.3152","","","","","","1.138","","","","has coordinates","229221","2020-10-21","18:00:00",""
"7046335","45.1207","0.0006","45.1207","0.0006","45.1207","0.0006","90","","90","","90","","91860","2","173","2","173","2","","","","","","","","5","F 41 3 2","F 4d 2 3","210","","","","- C108 H48 N24 O50 Zn9 -","- C108 H48 N24 O50 Zn9 -","- C1728 H768 N384 O800 Zn144 -","16","0.166667","","Cui, Zheng; Zhou, Lei; Qin, Bowen; Zhou, Baolei; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Selective chiral symmetry breaking and luminescence sensing of a Zn(ii) metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7934","7940","10.1039/c8dt00939b","","","0.71073","MoKα","","0.1323","0.0754","","","0.2305","0.2974","","","","","","0.972","","","","has coordinates","229221","2020-10-21","18:00:00",""
"7046336","20.6872","0.0002","21.27381","0.00017","15.15393","0.00018","90","","110.535","0.0013","90","","6245.41","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cu F6 N2 W -","- C33 H35 Cu F6 N2 W -","- C264 H280 Cu8 F48 N16 W8 -","8","2","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Preparation and characterisation of heterobimetallic copper-tungsten hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10595","10600","10.1039/c8dt01569d","","","1.54184","CuKα","","0.0392","0.0292","","","0.0671","0.0726","","","","","","1.028","","","","has coordinates,has disorder","229817","2020-10-21","18:00:00",""
"7046337","7.5947","0.0003","17.2024","0.0007","20.5126","0.001","90","","98.831","0.005","90","","2648.1","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Cu F10 N2 W -","- C27 H17 Cu F10 N2 W -","- C108 H68 Cu4 F40 N8 W4 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Preparation and characterisation of heterobimetallic copper-tungsten hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10595","10600","10.1039/c8dt01569d","","","0.71073","MoKα","","0.0588","0.0445","","","0.1016","0.1053","","","","","","1.161","","","","has coordinates","229817","2020-10-21","18:00:00",""
"7046338","10.2525","0.0005","10.8355","0.0007","12.468","0.0007","67.095","0.006","72.887","0.005","63.99","0.006","1133.8","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Cu2 Li2 Si4 W2 -","- C36 H68 Cu2 Li2 Si4 W2 -","- C36 H68 Cu2 Li2 Si4 W2 -","1","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Preparation and characterisation of heterobimetallic copper-tungsten hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10595","10600","10.1039/c8dt01569d","","","1.54184","CuKα","","0.0297","0.0265","","","0.0648","0.0669","","","","","","1.025","","","","has coordinates","229817","2020-10-21","18:00:00",""
"7046339","11.3041","0.0005","9.7028","0.0005","13.4827","0.0007","90","","101.228","0.004","90","","1450.5","0.13","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C30 H30 Cu F6 N O W -","- C30 H30 Cu F6 N O W -","- C60 H60 Cu2 F12 N2 O2 W2 -","2","0.5","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Preparation and characterisation of heterobimetallic copper-tungsten hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10595","10600","10.1039/c8dt01569d","","","0.71073","MoKα","","0.0494","0.0393","","","0.0757","0.0803","","","","","","1.105","","","","has coordinates,has disorder","229817","2020-10-21","18:00:00",""
"7046340","7.4908","0.0002","5.4877","0.0002","26.5634","0.001","90","","97.74","0.003","90","","1082","0.06","298","1","298","1","","","0","0.001","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","1.54184","CuKα","","0.0252","0.0247","","","0.0649","0.0652","","","","","","1.048","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046341","7.2705","0.0005","5.2464","0.0004","26.144","0.018","90","","99","0.02","90","","985","0.7","298","1","298","1","","","2480000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.0667","0.0598","","","0.1508","0.1597","","","","","","1.111","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046342","7.0813","0.0019","5.2012","0.0011","25.88","0.1","90","","99.31","0.1","90","","941","4","298","1","298","1","","","3950000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.1273","0.0844","","","0.2042","0.242","","","","","","1.084","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046343","7.3494","0.0005","5.3119","0.0004","26.31","0.016","90","","98.483","0.017","90","","1015.9","0.6","298","1","298","1","","","1520000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.0669","0.063","","","0.1612","0.1697","","","","","","1.092","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046344","7.4106","0.0006","5.3751","0.0004","26.411","0.017","90","","98.306","0.018","90","","1041","0.7","298","1","298","1","","","900000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.0708","0.0626","","","0.1547","0.1618","","","","","","1.068","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046345","7.1762","0.0014","5.2148","0.0008","26.07","0.05","90","","99.05","0.06","90","","963.5","1.9","298","1","298","1","","","3210000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.0857","0.0671","","","0.1622","0.177","","","","","","1.068","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046346","7.4416","0.0006","5.4166","0.0004","26.503","0.017","90","","98.046","0.018","90","","1057.8","0.7","298","1","298","1","","","510000","40000","","","","5","I 1 2 1","I 2y","5","","","","- C22 H26 N4 O8 Zn -","- C22 H26 N4 O8 Zn -","- C44 H52 N8 O16 Zn2 -","2","0.5","","Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos","Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10654","10659","10.1039/c8dt01765d","","x-ray","0.3185","synchrotron","","0.087","0.0794","","","0.2037","0.2144","","","","","","1.053","","","","has coordinates","229835","2020-10-21","18:00:00",""
"7046347","11.049","0.001","11.0806","0.001","14.7671","0.0012","83.834","0.007","68.566","0.008","64.269","0.009","1513.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Er2 N8 O30 Zn2 -","- C44 H50 Er2 N8 O30 Zn2 -","- C44 H50 Er2 N8 O30 Zn2 -","1","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0478","0.0374","","","0.0708","0.0782","","","","","","1.051","","","","has coordinates,has disorder","229896","2020-10-21","18:00:00",""
"7046348","11.1206","0.0008","11.2718","0.0008","13.3306","0.0011","74.493","0.007","72.689","0.007","62.178","0.007","1394.4","0.2","293","0.1","293","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Eu2 N6 O30 Zn2 -","- C40 H44 Eu2 N6 O30 Zn2 -","- C40 H44 Eu2 N6 O30 Zn2 -","1","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0464","0.0374","","","0.0914","0.0998","","","","","","1.063","","","","has coordinates,has disorder","229896","2020-10-21","18:00:00",""
"7046349","11.1988","0.0012","11.2992","0.0014","13.3744","0.0014","74.797","0.01","72.7","0.009","62.097","0.012","1412.7","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 N6 Nd2 O30 Zn2 -","- C40 H44 N6 Nd2 O30 Zn2 -","- C40 H44 N6 Nd2 O30 Zn2 -","1","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","","0.71073","MoKα","","0.0895","0.0586","","","0.1247","0.1489","","","","","","1.036","","","","has coordinates,has disorder","229896","2020-10-21","18:00:00",""
"7046350","22.2896","0.0005","18.4936","0.0005","19.2391","0.0004","90","","99.957","0.002","90","","7811.2","0.3","173","0.1","173","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 N6 Nd2 O36 Zn4 -","- C56 H68 N6 Nd2 O36 Zn4 -","- C224 H272 N24 Nd8 O144 Zn16 -","4","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0591","0.0452","","","0.1212","0.1348","","","","","","1.106","","","","has coordinates,has disorder","229896","2020-10-21","18:00:00",""
"7046351","22.5467","0.0005","17.8961","0.0005","19.5235","0.0005","90","","100.736","0.002","90","","7739.8","0.3","293.23","0.1","293.23","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 N7 O36 Tb2 Zn4 -","- C58 H68 N7 O36 Tb2 Zn4 -","- C232 H272 N28 O144 Tb8 Zn16 -","4","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0504","0.0355","","","0.0735","0.0828","","","","","","1.059","","","","has coordinates,has disorder","229896","2020-10-21","18:00:00",""
"7046352","10.5088","0.0012","10.9921","0.0006","13.2571","0.0008","111.997","0.005","100.721","0.007","101.715","0.007","1331.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 N6 O30 Yb2 Zn2 -","- C40 H44 N6 O30 Yb2 Zn2 -","- C40 H44 N6 O30 Yb2 Zn2 -","1","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0565","0.0408","","","0.0674","0.0764","","","","","","0.987","","","","has coordinates","229896","2020-10-21","18:00:00",""
"7046353","10.8386","0.0009","11.0943","0.0005","13.3764","0.0009","111.335","0.005","101.544","0.007","102.84","0.006","1389.11","0.19","290.83","0.1","290.83","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 N6 O30 Tb2 Zn2 -","- C42 H48 N6 O30 Tb2 Zn2 -","- C42 H48 N6 O30 Tb2 Zn2 -","1","0.5","","Zhang, Ruilian; Wang, Li; Xu, Cong; Yang, Huan; Chen, Wanmin; Gao, Guoshu; Liu, Weisheng","Anion-induced 3d-4f luminescent coordination clusters: structural characteristics and chemical fixation of CO<sub>2</sub> under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7159","7165","10.1039/c8dt01292j","","x-ray","0.71073","MoKα","","0.0495","0.0373","","","0.0732","0.0817","","","","","","1.042","","","","has coordinates","229896","2020-10-21","18:00:00",""
"7046354","29.322","0.005","19.862","0.003","37.16","0.007","90","","102.943","0.003","90","","21092","6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H174 K4 N20 O147 P8 W34 Zn -","- C28 H16 O136 P8 W34 Zn -","- C112 H64 O544 P32 W136 Zn4 -","4","1","","Cameron, Jamie M.; Fujimoto, Satomi; Wei, Rong-Jia; Newton, Graham N.; Oshio, Hiroki","Post-functionalization of a photoactive hybrid polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10590","10594","10.1039/c8dt01253a","","","0.71073","MoKα","","0.1471","0.1018","","","0.2479","0.2667","","","","","","1.327","","","","has coordinates","229841","2020-10-21","18:00:00",""
"7046355","29.813","0.008","24.94","0.007","35.412","0.009","90","","90","","90","","26330","12","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C280 H519 K3 Mn3 N123 O189 P8 W34 -","- C28 H16 Mn3 O146 P8 W34 -","- C112 H64 Mn12 O584 P32 W136 -","4","1","","Cameron, Jamie M.; Fujimoto, Satomi; Wei, Rong-Jia; Newton, Graham N.; Oshio, Hiroki","Post-functionalization of a photoactive hybrid polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10590","10594","10.1039/c8dt01253a","","","0.71073","MoKα","","0.2209","0.0883","","","0.2072","0.2995","","","","","","0.888","","","","has coordinates","229841","2020-10-21","18:00:00",""
"7046356","29.492","0.004","19.778","0.002","37.459","0.005","90","","103.196","0.002","90","","21273","5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H198 Co K4 N30 O151 P8 W34 -","- C28 H16 Co O136 P8 W34 -","- C112 H64 Co4 O544 P32 W136 -","4","1","","Cameron, Jamie M.; Fujimoto, Satomi; Wei, Rong-Jia; Newton, Graham N.; Oshio, Hiroki","Post-functionalization of a photoactive hybrid polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10590","10594","10.1039/c8dt01253a","","","0.71073","MoKα","","0.2219","0.0968","","","0.2161","0.2847","","","","","","0.936","","","","has coordinates","229841","2020-10-21","18:00:00",""
"7046357","7.3813","0.0015","23.846","0.005","18.81","0.004","90","","90","","90","","3310.8","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H31 Na O18 Zn2 -","- C29 H31 Na O18 Zn2 -","- C116 H124 Na4 O72 Zn8 -","4","0.5","","Liu, Lei-Lei; Yu, You-Zhu; Zhao, Xue-Jing; Wang, Ya-Ru; Cheng, Fei-Yang; Zhang, Meng-Ke; Shu, Jing-Jing; Liu, Lin","A robust Zn(ii)/Na(i)-MOF decorated with [(OAc)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub>n</sub><sup>2n-</sup> anions for the luminescence sensing of copper ions based on the inner filter effect.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7787","7794","10.1039/c8dt00908b","","","0.71073","MoKα","","0.0359","0.0317","","","0.0878","0.0915","","","","","","1.032","","","","has coordinates","229890","2020-10-21","18:00:00",""
"7046358","21.864","0.004","11.04","0.002","32.266","0.005","90","","101.021","0.005","90","","7645","2","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C85 H89 Mg2 N17 -","- C85 H89 Mg2 N17 -","- C340 H356 Mg8 N68 -","4","0.5","","Lemmerz, L. E.; Spaniol, T. P.; Okuda, J.","1,4-Dihydropyridyl complexes of magnesium: synthesis by pyridine insertion into the magnesium-silicon bond of triphenylsilyls and catalytic pyridine hydrofunctionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12553","12561","10.1039/c8dt01466c","","","0.71073","MoKα","","0.064","0.0498","","","0.1223","0.1306","","","","","","1.037","","","","has coordinates,has disorder","229913","2020-10-21","18:00:00",""
"7046359","20.289","0.0015","7.55","0.0005","23.146","0.0014","90","","90.814","0.005","90","","3545.2","0.4","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H31 Mg N5 -","- C16 H31 Mg N5 -","- C128 H248 Mg8 N40 -","8","1","","Lemmerz, L. E.; Spaniol, T. P.; Okuda, J.","1,4-Dihydropyridyl complexes of magnesium: synthesis by pyridine insertion into the magnesium-silicon bond of triphenylsilyls and catalytic pyridine hydrofunctionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12553","12561","10.1039/c8dt01466c","","x-ray","0.71073","MoKα","","0.0973","0.0585","","","0.1362","0.157","","","","","","1.029","","","","has coordinates","229913","2020-10-21","18:00:00",""
"7046360","7.5892","0.0008","14.8942","0.0017","18.236","0.002","67.9347","0.0019","81.964","0.002","78.815","0.002","1869","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H53 Mg N5 Si -","- C41 H53 Mg N5 Si -","- C82 H106 Mg2 N10 Si2 -","2","1","","Lemmerz, L. E.; Spaniol, T. P.; Okuda, J.","1,4-Dihydropyridyl complexes of magnesium: synthesis by pyridine insertion into the magnesium-silicon bond of triphenylsilyls and catalytic pyridine hydrofunctionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12553","12561","10.1039/c8dt01466c","","","0.71073","MoKα","","0.0795","0.0567","","","0.1341","0.1487","","","","","","1.038","","","","has coordinates,has disorder","229913","2020-10-21","18:00:00",""
"7046361","7.494","0.0002","17.6204","0.0004","12.3858","0.0003","90","","91.668","0.001","90","","1634.82","0.07","180","2","180","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 N6 O12 Pr -","- C28 H25 Br2 N6 O12 Pr -","- C56 H50 Br4 N12 O24 Pr2 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0262","0.0241","","","0.058","0.0591","","","","","","1.033","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046362","7.4805","0.0001","17.5672","0.0003","12.3748","0.0002","90","","91.784","0.001","90","","1625.4","0.04","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 N6 O12 Sm -","- C28 H25 Br2 N6 O12 Sm -","- C56 H50 Br4 N12 O24 Sm2 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.021","0.019","","","0.0444","0.0452","","","","","","1.052","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046363","7.4579","0.0001","17.4427","0.0003","12.3564","0.0002","90","","91.846","0.001","90","","1606.56","0.04","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Er N6 O12 -","- C28 H25 Br2 Er N6 O12 -","- C56 H50 Br4 Er2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0188","0.0173","","","0.0403","0.0409","","","","","","1.071","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046364","7.4676","0.0001","17.4621","0.0003","12.369","0.0002","90","","91.821","0.001","90","","1612.1","0.04","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Dy N6 O12 -","- C28 H25 Br2 Dy N6 O12 -","- C56 H50 Br4 Dy2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0212","0.0194","","","0.0408","0.0415","","","","","","1.043","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046365","7.4712","0.0001","17.5324","0.0004","12.3673","0.0003","90","","91.817","0.001","90","","1619.15","0.06","160","2","160","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H25 Br2 Gd N6 O12 -","- C28 H25 Br2 Gd N6 O12 -","- C56 H50 Br4 Gd2 N12 O24 -","2","0.5","","Maniaki, Diamantoula; Mylonas-Margaritis, Ioannis; Mayans, Julia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Bekiari, Vlasoula; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.","Slow magnetic relaxation and luminescence properties in lanthanide(iii)/anil complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11859","11872","10.1039/c8dt01264d","","","0.71073","MoKα","","0.0254","0.023","","","0.054","0.055","","","","","","1.045","","","","has coordinates","229979","2020-10-21","18:00:00",""
"7046366","11.917","0.009","12.08","0.03","13.35","0.012","90.83","0.14","115.38","0.09","92.78","0.15","1733","5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cl Fe N6 O3 -","- C38 H29.992 Cl Fe N6 O2.996 -","- C76 H59.984 Cl2 Fe2 N12 O5.992 -","2","1","","Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.","Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14254","14262","10.1039/c8dt00590g","","x-ray","0.71073","MoKα","","0.1115","0.0667","","","0.1809","0.2049","","","","","","1.053","","","","has coordinates,has disorder","229730","2020-10-21","18:00:00",""
"7046367","17.385","0.0014","11.3414","0.0009","7.8323","0.0007","90","","91.656","0.009","90","","1543.7","0.2","294.6","0.8","294.6","0.8","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu N6 O2 -","- C38 H28 Cu N6 O2 -","- C76 H56 Cu2 N12 O4 -","2","0.5","","Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.","Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14254","14262","10.1039/c8dt00590g","","x-ray","0.71073","MoKα","","0.1492","0.1075","","","0.3025","0.3258","","","","","","1.058","","","","has coordinates","229730","2020-10-21","18:00:00",""
"7046368","26.3414","0.0014","4.5797","0.0002","12.1699","0.0007","90","","90.073","0.005","90","","1468.12","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.","Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14254","14262","10.1039/c8dt00590g","","x-ray","0.71073","MoKα","","0.1357","0.1117","","","0.3051","0.3201","","","","","","1.094","","","","has coordinates,has disorder","229730","2020-10-21","18:00:00",""
"7046369","17.4272","0.0013","11.361","0.0009","7.8374","0.0006","90","","91.846","0.007","90","","1550.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N6 O2 Zn -","- C38 H28 N6 O2 Zn -","- C76 H56 N12 O4 Zn2 -","2","0.5","","Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.","Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14254","14262","10.1039/c8dt00590g","","x-ray","0.71073","MoKα","","0.0898","0.054","","","0.1003","0.1121","","","","","","1.024","","","","has coordinates","229730","2020-10-21","18:00:00",""
"7046370","10.5729","0.0006","17.7529","0.0012","18.6545","0.0012","80.582","0.005","75.1","0.005","76.309","0.005","3267.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H56 Fe2 N12 O5 -","- C76 H56 Fe2 N12 O5 -","- C152 H112 Fe4 N24 O10 -","2","1","","Markiewicz, G.; Walczak, A.; Perlitius, F.; Piasecka, M.; Harrowfield, J. M.; Stefankiewicz, A. R.","Photoswitchable transition metal complexes with azobenzene-functionalized imine-based ligands: structural and kinetic analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14254","14262","10.1039/c8dt00590g","","x-ray","0.71073","MoKα","","0.1519","0.0669","","","0.0928","0.1168","","","","","","1.011","","","","has coordinates,has disorder","229730","2020-10-21","18:00:00",""
"7046371","7.7429","0.0011","12.657","0.0018","13.3551","0.0019","107.207","0.005","98.563","0.004","99.439","0.005","1205.9","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H64 Cu2 I2 N12 O8 P4 -","- C36 H64 Cu2 I2 N12 O8 P4 -","- C36 H64 Cu2 I2 N12 O8 P4 -","1","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.","Hydrosoluble Cu(i)-DAPTA complexes: synthesis, characterization, luminescence thermochromism and catalytic activity for microwave-assisted three-component azide-alkyne cycloaddition click reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7290","7299","10.1039/c8dt01232f","","","0.71069","MoKα","","0.1208","0.0841","","","0.1779","0.1978","","","","","","1.113","","","","has coordinates","229900","2020-10-21","18:00:00",""
"7046372","5.8233","0.0009","11.3102","0.0017","5.4324","0.0008","90","","90","","90","","357.79","0.09","100","2","100","2","","","","","","","","3","I b a m","-I 2 2c","72","Dimethylmagnesium","MgMe2,","","- C2 H6 Mg -","- C2 H6 Mg -","- C8 H24 Mg4 -","4","0.25","","Stuhl, Christoph; Anwander, Reiner","Dimethylmagnesium revisited","Dalton Transactions","2018","","","","","10.1039/C8DT01542B","","","0.71073","MoKα","","0.0261","0.0246","","","0.0662","0.0671","","","","","","1.093","","","","has coordinates","207813","2020-10-21","18:00:00",""
"7046373","17.887","0.016","17.887","","10.612","0.01","90","","90","","90","","3395","4","100","2","100","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C20 H60 Ga4 Mg4 O4 -","- C20 H60 Ga4 Mg4 O4 -","- C80 H240 Ga16 Mg16 O16 -","4","","","Stuhl, Christoph; Anwander, Reiner","Dimethylmagnesium revisited","Dalton Transactions","2018","","","","","10.1039/C8DT01542B","","","0.71073","MoKα","","0.0222","0.0182","","","0.0466","0.0481","","","","","","1.03","","","","has coordinates","207813","2020-10-21","18:00:00",""
"7046374","8.0632","0.0017","9.83","0.002","18.911","0.004","90","","97.643","0.003","90","","1485.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 Al4 Mg2 O4 -","- C16 H48 Al4 Mg2 O4 -","- C32 H96 Al8 Mg4 O8 -","2","0.5","","Stuhl, Christoph; Anwander, Reiner","Dimethylmagnesium revisited","Dalton Transactions","2018","","","","","10.1039/C8DT01542B","","","0.71073","MoKα","","0.0798","0.0608","","","0.1491","0.1587","","","","","","1.113","","","","has coordinates","207813","2020-10-21","18:00:00",""
"7046375","12.2579","0.0007","23.8635","0.0014","13.8297","0.0008","90","","90","","90","","4045.4","0.4","296","2","296.15","","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C16 H48 Mo12 N4 Na5 O74 Sb5 -","- C16 H48 Mo12 N4 Na5 O74 Sb5 -","- C32 H96 Mo24 N8 Na10 O148 Sb10 -","2","0.125","","Lu, Jingkun; Wang, Yaping; Ma, Xinyi; Niu, Yanjun; Singh, Vikram; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Synthesis and characterization of a Sb(v)-containing polyoxomolybdate serving as a catalyst for sulfoxidation.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8070","8077","10.1039/c8dt01273c","","","0.71073","MoKα","","0.0596","0.0518","","","0.1359","0.1437","","","","","","1.105","","","","has coordinates,has disorder","229222","2020-10-21","18:00:00",""
"7046376","10.5851","0.0011","11.3157","0.0011","13.7776","0.001","92.788","0.007","101.97","0.008","92.107","0.008","1610.6","0.3","273","8","273","8","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 Eu N5 O11 -","- C34 H22 Eu N5 O11 -","- C68 H44 Eu2 N10 O22 -","2","1","","Yang, Yang; Qiu, Fangzhou; Xu, Cong; Feng, Yan; Zhang, Guolin; Liu, Weisheng","A multifunctional Eu-CP as a recyclable luminescent probe for the highly sensitive detection of Fe<sup>3+</sup>/Fe<sup>2+</sup>, Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup>, and nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7480","7486","10.1039/c8dt01518j","","","0.71","MoKα","","0.0645","0.0491","","","0.092","0.103","","","","","","1.075","","","","has coordinates","229265","2020-10-21","18:00:00",""
"7046377","15.182","0.0005","8.8","0.0003","16.1887","0.0006","90","","102.866","0.0013","90","","2108.53","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 O P -","- C30 H21 O P -","- C120 H84 O4 P4 -","4","1","","Kitagawa, Yuichi; Suzue, Fumiya; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","A highly luminescent Eu(iii) complex based on an electronically isolated aromatic ring system with ultralong lifetime.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7327","7332","10.1039/c8dt00883c","","","0.71075","MoKα","","0.0445","0.037","","","0.1004","0.1055","","","","","","1.081","","","","has coordinates","229902","2020-10-21","18:00:00",""
"7046378","13.1931","0.0005","38.3635","0.0014","13.7888","0.0005","90","","99.853","0.003","90","","6876","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H45 Eu F18 O8 P2 -","- C75 H45 Eu F18 O8 P2 -","- C300 H180 Eu4 F72 O32 P8 -","4","1","","Kitagawa, Yuichi; Suzue, Fumiya; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","A highly luminescent Eu(iii) complex based on an electronically isolated aromatic ring system with ultralong lifetime.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7327","7332","10.1039/c8dt00883c","","x-ray","0.71073","MoKα","","0.0995","0.0481","","","0.0985","0.1217","","","","","","1.07","","","","has coordinates","229902","2020-10-21","18:00:00",""
"7046379","15.3402","0.0006","14.2344","0.0005","19.2659","0.0007","90","","90.9159","0.0012","90","","4206.3","0.3","123","","123","","","","","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","","1.54178","CuKα","","0.0282","0.0281","","0.0673","0.0673","0.0673","","","","","","0.8936","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046380","10.4351","0.0006","18.8158","0.001","22.331","0.0012","90","","99.434","0.004","90","","4325.3","0.4","123","","123","","","","","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cl2 Cu F6 N2 O P3 -","- C46 H34 Cl2 Cu F6 N2 O P3 -","- C184 H136 Cl8 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","","1.54178","CuKα","","0.099","0.0642","","0.1949","0.161","0.1949","","","","","","0.9366","","","","has coordinates,has disorder","229732","2020-10-21","18:00:00",""
"7046381","14.652","0.007","12.7677","0.0009","18.624","0.006","90","","91.96","0.05","90","","3482","2","293","","293","","","","4200000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.0939","0.0587","","0.0879","0.071","0.0879","","","","","","1.0954","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046382","14.622","0.006","12.686","0.0008","18.613","0.006","90","","92.1","0.04","90","","3450.3","1.8","293","","293","","","","4500000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.0971","0.0632","","0.0965","0.0801","0.0965","","","","","","1.1099","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046383","15.123","0.008","13.6502","0.001","18.868","0.007","90","","91.32","0.05","90","","3894","3","293","","293","","","","1300000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.1277","0.0711","","0.2383","0.1611","0.2383","","","","","","1.007","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046384","11.2546","0.0011","14.336","0.0013","18.0998","0.0016","113.273","0.004","100.571","0.004","90.543","0.004","2626.3","0.4","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C50 H40 Cl4 Cu F6 N2 O P3 -","- C49 H38 Cl2 Cu F6 N2 O P3 -","- C98 H76 Cl4 Cu2 F12 N4 O2 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","","1.5418","CuKα","","0.1098","0.1077","","0.2745","0.2742","0.2745","","","","","","0.9428","","","","has coordinates,has disorder","229732","2020-10-21","18:00:00",""
"7046385","11.0101","0.0005","15.0994","0.0007","18.1016","0.0009","108.84","0.003","98.138","0.003","109.91","0.003","2568.7","0.2","123","","123","","","","","","","","Sarah Keller","8","P -1","-P 1","2","","","","- C51.8 H46 Br Cu F6 N2 O1.7 P3 -","- C51.8 H46 Br Cu F6 N2 O1.7 P3 -","- C103.6 H92 Br2 Cu2 F12 N4 O3.4 P6 -","2","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","","1.54178","CuKα","","0.1121","0.106","","0.2626","0.2611","0.2626","","","","","","1.0223","","","","has coordinates,has disorder","229732","2020-10-21","18:00:00",""
"7046386","11.0059","0.0007","17.6987","0.0012","24.9169","0.0015","90","","100.131","0.003","90","","4777.9","0.5","123","","123","","","","","","","","Sarah Ke;;er","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C47 H36 Br2 Cl2 Cu F6 N2 O P3 -","- C188 H144 Br8 Cl8 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","","1.5418","CuKα","","0.0663","0.0504","","0.1458","0.1292","0.1458","","","","","","0.937","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046387","14.96","0.008","13.2757","0.0008","18.724","0.006","90","","92.23","0.05","90","","3716","2","293","","293","","","","1800000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.119","0.0668","","0.1016","0.0794","0.1016","","","","","","1.1257","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046388","14.765","0.008","12.9897","0.0009","18.629","0.006","90","","92.14","0.05","90","","3570","2","293","","293","","","","3500000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.116","0.0662","","0.092","0.0765","0.092","","","","","","1.1467","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046389","15.459","0.01","14.243","0.0012","19.413","0.008","90","","90.03","0.06","90","","4274","3","293","","293","","","","160000","","","","Sarah Keller","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H35 Br Cu F6 N2 O P3 -","- C46 H35 Br Cu F6 N2 O P3 -","- C184 H140 Br4 Cu4 F24 N8 O4 P12 -","4","1","","Keller, Sarah; Prescimone, Alessandro; Bolink, Henk; Sessolo, Michele; Longo, Giulia; Martínez-Sarti, Laura; Junquera-Hernández, José M; Constable, Edwin C.; Ortí, Enrique; Housecroft, Catherine E.","Luminescent copper(i) complexes with bisphosphane and halogen-substituted 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14263","14276","10.1039/c8dt01338a","","x-ray","0.4859","Synchrotron","","0.2096","0.0946","","0.3663","0.2125","0.3641","","","","","","1.0817","","","","has coordinates","229732","2020-10-21","18:00:00",""
"7046390","10.3044","0.0005","10.511","0.0004","14.5467","0.0009","80.997","0.004","72.376","0.005","83.181","0.004","1478.83","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 Al2 N4 O4 -","- C60 H90 Al2 N4 O4 -","- C60 H90 Al2 N4 O4 -","1","0.5","","Gesslbauer, S.; Cheek, H.; White, A. J. P.; Romain, C.","Highly active aluminium catalysts for room temperature ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10410","10414","10.1039/c8dt01526k","","","1.54184","CuKα","","0.0543","0.0416","","","0.105","0.1142","","","","","","1.043","","","","has coordinates","229825","2020-10-21","18:00:00",""
"7046391","9.7297","0.0004","11.1101","0.0004","30.5073","0.0014","90.706","0.003","90.073","0.004","95.931","0.003","3279.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H96 Al2 N4 O4 -","- C66 H96 Al2 N4 O4 -","- C132 H192 Al4 N8 O8 -","2","1","","Gesslbauer, S.; Cheek, H.; White, A. J. P.; Romain, C.","Highly active aluminium catalysts for room temperature ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10410","10414","10.1039/c8dt01526k","","","0.71073","MoKα","","0.0989","0.0668","","","0.1542","0.1847","","","","","","1.082","","","","has coordinates","229825","2020-10-21","18:00:00",""
"7046392","13.4292","0.0004","15.4213","0.0004","22.2668","0.0005","90","","93.35","0.002","90","","4603.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H130 Al2 N4 O6 -","- C98 H130 Al2 N4 O6 -","- C196 H260 Al4 N8 O12 -","2","0.5","","Gesslbauer, S.; Cheek, H.; White, A. J. P.; Romain, C.","Highly active aluminium catalysts for room temperature ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10410","10414","10.1039/c8dt01526k","","","0.71073","MoKα","","0.0767","0.048","","","0.0972","0.1114","","","","","","1.014","","","","has coordinates,has disorder","229825","2020-10-21","18:00:00",""
"7046393","9.0914","0.0012","10.6006","0.0014","14.3655","0.0018","71.643","0.002","86.345","0.002","78.848","0.002","1289.2","0.3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 B Br2 O2 -","- C26 H33 B Br2 O2 -","- C52 H66 B2 Br4 O4 -","2","1","","Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger","Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10399","10403","10.1039/c8dt01716f","","","0.71073","MoKα","","0.0531","0.0393","","","0.0944","0.1002","","","","","","1.048","","","","has coordinates","229828","2020-10-21","18:00:00",""
"7046394","10.7568","0.0012","17.0259","0.0018","22.758","0.002","94.956","0.002","94.394","0.002","103.556","0.002","4016.5","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H24.75 B0.75 I1.5 O1.5 -","- C19.5 H24.75 B0.75 I1.5 O1.5 -","- C156 H198 B6 I12 O12 -","8","4","","Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger","Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10399","10403","10.1039/c8dt01716f","","","0.71073","MoKα","","0.0482","0.0351","","","0.0835","0.0901","","","","","","1.021","","","","has coordinates","229828","2020-10-21","18:00:00",""
"7046395","9.299","0.003","13.239","0.005","13.676","0.005","97.674","0.008","101.18","0.007","107.537","0.007","1541.4","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 B O2 S2 -","- C34.007 H39.007 B O2 S1.993 -","- C68.014 H78.014 B2 O4 S3.986 -","2","1","","Riensch, Nicolas A.; Fritze, Lars; Schindler, Tobias; Kremer, Marius; Helten, Holger","Difuryl(supermesityl)borane: a versatile building block for extended π-conjugated materials.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10399","10403","10.1039/c8dt01716f","","","0.71073","MoKα","","0.1247","0.0661","","","0.1544","0.1833","","","","","","1.009","","","","has coordinates,has disorder","229828","2020-10-21","18:00:00",""
"7046396","7.2068","0.0007","14.213","0.001","21.8914","0.0016","90","","90","","90","","2242.3","0.3","120","2","120","2","","","","","","","","6","C m c m","-C 2c 2","63","1-pink","MS001","","- C4 H8 Co0.25 N1.5 O0.5 S0.5 -","- C4 H8 Co0.25 N1.5 O0.5 S0.5 -","- C64 H128 Co4 N24 O8 S8 -","16","1","","Shiga, Misaki; Kawaguchi, Shogo; Fujibayashi, Masaru; Nishihara, Sadafumi; Inoue, Katsuya; Akutagawa, Tomoyuki; Noro, Shin-Ichiro; Nakamura, Takayoshi; Tsunashima, Ryo","Chemo-chromism in an orthogonal dabco-based Co(ii) network assembled by methanol-coordination and hydrogen bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7656","7662","10.1039/c8dt01220b","","","0.7107","MoKα","","0.0525","0.0482","","","0.1296","0.134","","","","","","1.084","","","","has coordinates","229889","2020-10-21","18:00:00",""
"7046397","14.242","0.0006","30.8848","0.0014","32.6649","0.0013","90","","92.799","0.002","90","","14350.9","1.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H167 N3 O16 Ti3 -","- C108 H167 N3 O16 Ti3 -","- C432 H668 N12 O64 Ti12 -","4","1","","Cols, Jean-Marie E P; Hill, Victoria G.; Williams, Stella K.; McIntosh, Ruaraidh D.","Aggregated initiators: defining their role in the ROP of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10626","10635","10.1039/c8dt01229f","","","0.71073","MoKα","","0.1003","0.0695","","","0.1704","0.1872","","","","","","1.04","","","","has coordinates,has disorder","229826","2020-10-21","18:00:00",""
"7046398","9.02228","0.00002","11.9212","0.00002","33.55582","0.00006","90","","90","","90","","3609.14","0.012","120.01","0.1","120.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O6 -","- C35 H59 N O6 -","- C140 H236 N4 O24 -","4","1","","Cols, Jean-Marie E P; Hill, Victoria G.; Williams, Stella K.; McIntosh, Ruaraidh D.","Aggregated initiators: defining their role in the ROP of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10626","10635","10.1039/c8dt01229f","","x-ray","1.54178","CuKα","","0.0353","0.0352","","","0.0948","0.095","","","","","","1.057","","","","has coordinates","229826","2020-10-21","18:00:00",""
"7046399","11.9235","0.0002","28.714","0.0005","12.3133","0.0002","90","","108.003","0.001","90","","4009.32","0.12","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 N2 Na2 O2 Si4 -","- C28 H68 N2 Na2 O2 Si4 -","- C112 H272 N8 Na8 O8 Si16 -","4","1","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0592","0.0465","","","0.0996","0.1072","","","","","","1.067","","","","has coordinates","229917","2020-10-21","18:00:00",""
"7046400","9.9637","0.0002","13.0225","0.0003","15.977","0.0004","90","","100.604","0.001","90","","2037.65","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 K2 N2 O2 Si4 -","- C28 H68 K2 N2 O2 Si4 -","- C56 H136 K4 N4 O4 Si8 -","2","0.5","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0358","0.0308","","","0.0708","0.0737","","","","","","1.059","","","","has coordinates","229917","2020-10-21","18:00:00",""
"7046401","12.4061","0.0004","12.8719","0.0004","14.4174","0.0004","90","","111.177","0.002","90","","2146.84","0.12","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 Cs2 N2 O2 Si4 -","- C28 H68 Cs2 N2 O2 Si4 -","- C56 H136 Cs4 N4 O4 Si8 -","2","0.5","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0256","0.0225","","","0.047","0.0484","","","","","","1.113","","","","has coordinates,has disorder","229917","2020-10-21","18:00:00",""
"7046402","11.1879","0.0002","12.3031","0.0002","12.556","0.0002","90","","105.229","0.001","90","","1667.59","0.05","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 N2 O2 Rb2 Si4 -","- C20 H52 N2 O2 Rb2 Si4 -","- C40 H104 N4 O4 Rb4 Si8 -","2","0.5","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0317","0.0258","","","0.0524","0.0551","","","","","","1.081","","","","has coordinates","229917","2020-10-21","18:00:00",""
"7046403","15.2966","0.0002","12.6481","0.0002","21.0977","0.0005","90","","90","","90","","4081.83","0.13","133","2","133","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H68 N2 O2 Rb2 Si4 -","- C28 H68 N2 O2 Rb2 Si4 -","- C112 H272 N8 O8 Rb8 Si16 -","4","1","","Krieck, Sven; Schüler, Philipp; Görls, Helmar; Westerhausen, Matthias","Straightforward synthesis of rubidium bis(trimethylsilyl)amide and complexes of the alkali metal bis(trimethylsilyl)amides with weakly coordinating 2,2,5,5-tetramethyltetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12562","12569","10.1039/c8dt01539b","","","0.71073","MoKα","","0.0551","0.0404","","","0.0647","0.0702","","","","","","1.104","","","","has coordinates","229917","2020-10-21","18:00:00",""
"7046404","17.8332","0.0004","9.2678","0.0001","24.5582","0.0002","90","","90","","90","","4058.84","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cu N3 O8 -","- C19 H19 Cu N3 O8 -","- C152 H152 Cu8 N24 O64 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","x-ray","0.67522","","","0.0714","0.0687","","","0.192","0.1948","","","","","","1.08","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046405","17.7049","0.0015","9.2515","0.0009","24.5663","0.0019","90","","90","","90","","4023.9","0.6","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 Cu N3 O8 -","- C19 H19 Cu N3 O8 -","- C152 H152 Cu8 N24 O64 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","","0.71073","MoKα","","0.0913","0.0649","","","0.1494","0.1628","","","","","","1.058","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046406","16.61","0.004","8.957","0.002","25.681","0.006","90","","90","","90","","3820.7","1.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Cu N3 O8.88 -","- C17 H13 Cu N3 O8.84 -","- C136 H104 Cu8 N24 O70.72 -","8","1","","Kochetygov, Ilia; Bulut, Safak; Asgari, Mehrdad; Queen, Wendy L.","Selective CO<sub>2</sub> adsorption by a new metal-organic framework: synergy between open metal sites and a charged imidazolinium backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10527","10535","10.1039/c8dt01247d","","","0.71073","MoKα","","0.1184","0.0872","","","0.1834","0.2022","","","","","","1.202","","","","has coordinates","229838","2020-10-21","18:00:00",""
"7046407","9.0185","0.001","11.602","0.002","13.015","0.003","70.854","0.003","81.101","0.002","89.578","0.003","1269.6","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cl2 N6 O8 -","- C22 H24 Cl2 N6 O8 -","- C44 H48 Cl4 N12 O16 -","2","1","","Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian","Tritopic ion-pair receptors based on anion-π interactions for selective CaX<sub>2</sub> binding.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7883","7887","10.1039/c8dt01727a","","","0.710747","MoKα","","0.0557","0.0478","","","0.0954","0.1002","","","","","","1.079","","","","has coordinates","229224","2020-10-21","18:00:00",""
"7046408","11.245","0.002","17.678","0.003","13.048","0.002","90","","95.709","0.002","90","","2580.9","0.7","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 N6 O8 -","- C22 H24 Cl2 N6 O8 -","- C88 H96 Cl8 N24 O32 -","4","0.5","","Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian","Tritopic ion-pair receptors based on anion-π interactions for selective CaX<sub>2</sub> binding.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7883","7887","10.1039/c8dt01727a","","","0.71073","MoKα","","0.0489","0.0468","","","0.1167","0.1184","","","","","","1.096","","","","has coordinates","229224","2020-10-21","18:00:00",""
"7046409","18.081","0.004","7.8133","0.0015","23.448","0.005","90","","103.521","0.002","90","","3220.7","1.2","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Br2 Ca Cl2 N6 O10 -","- C23 H30 Br2 Ca Cl2 N6 O10 -","- C92 H120 Br8 Ca4 Cl8 N24 O40 -","4","1","","Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian","Tritopic ion-pair receptors based on anion-π interactions for selective CaX<sub>2</sub> binding.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7883","7887","10.1039/c8dt01727a","","","0.71073","MoKα","","0.0405","0.0365","","","0.0873","0.0903","","","","","","1.078","","","","has coordinates","229224","2020-10-21","18:00:00",""
"7046410","17.615","0.003","15.703","0.003","13.956","0.002","90","","90","","90","","3860.3","1.1","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H34 Ca Cl2 I2 N8 O10 -","- C26 H34 Ca Cl2 I2 N8 O10 -","- C104 H136 Ca4 Cl8 I8 N32 O40 -","4","1","","Luo, Jian; Ao, Yu-Fei; Malm, Christian; Hunger, Johannes; Wang, Qi-Qiang; Wang, De-Xian","Tritopic ion-pair receptors based on anion-π interactions for selective CaX<sub>2</sub> binding.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7883","7887","10.1039/c8dt01727a","","","0.71073","MoKα","","0.0474","0.0448","","","0.1116","0.1148","","","","","","1.06","","","","has coordinates","229224","2020-10-21","18:00:00",""
"7046411","8.2476","0.0014","5.4677","0.0009","23.949","0.004","90","","90","","90","","1080","0.3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H24 O2 S2 -","- C26 H24 O2 S2 -","- C52 H48 O4 S4 -","2","0.5","","Patel, Parth; Parmar, Bhavesh; Kureshy, Rukhsana I.; Khan, Noor-Ul H; Suresh, Eringathodi","Amine-functionalized Zn(ii) MOF as an efficient multifunctional catalyst for CO<sub>2</sub> utilization and sulfoxidation reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8041","8051","10.1039/c8dt01297k","","","0.71073","MoKα","","0.0474","0.0464","","","0.1224","0.1232","","","","","","1.108","","","","has coordinates","229219","2020-10-21","18:00:00",""
"7046412","11.8998","0.0004","11.8998","0.0004","13.2632","0.0005","90","","90","","90","","1878.14","0.11","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","Mn2Moformate","","- C18 H2 Mn4 Mo2 N18 O14 -","- C18 H2 Mn4 Mo2 N18 O14 -","- C36 H4 Mn8 Mo4 N36 O28 -","2","0.125","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0268","0.023","","","0.0503","0.0518","","","","","","1.13","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7046413","12.0732","0.0001","12.0732","0.0001","13.4352","0.0003","90","0.003","90","0.003","90","0.003","1958.34","0.05","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","","Mn2Nbformate","","- C18 H2 Mn4 N18 Nb2 O14 -","- C18 H2 Mn4 N18 Nb2 O14 -","- C36 H4 Mn8 N36 Nb4 O28 -","2","0.125","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0339","0.0296","","","0.0756","0.0793","","","","","","1.072","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7046414","11.83052","0.00009","11.83052","0.00009","13.53251","0.00018","90","","90","","90","","1894.03","0.03","120","2","120","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Mn2NbCN","","- C18 Mn4 N22 Nb2 O6 -","- C18 Mn4 N22 Nb2 O6 -","- C36 Mn8 N44 Nb4 O12 -","2","0.0625","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0241","0.0199","","","0.0539","0.0561","","","","","","1.176","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7046415","11.6902","0.0004","11.6902","0.0004","13.3582","0.0006","90","","90","","90","","1825.54","0.12","120","2","120","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Mn2MoCN","","- C18 Mn4 Mo2 N22 O6 -","- C18 Mn4 Mo2 N22 O6 -","- C36 Mn8 Mo4 N44 O12 -","2","0.0625","","Handzlik, Gabriela; Sieklucka, Barbara; Pinkowicz, Dawid","Cross-linking of cyanide magnetic coordination polymers by rational insertion of formate, cyanide or azide.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11888","11894","10.1039/c8dt01513a","","","0.71073","MoKα","","0.0316","0.0265","","","0.055","0.0582","","","","","","1.109","","","","has coordinates,has disorder","229984","2020-10-21","18:00:00",""
"7046416","12.295","0.007","12.432","0.007","13.083","0.007","87.435","0.007","70.794","0.007","89.107","0.007","1886.6","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 F36 Gd2 N6 O16 -","- C50 H42 F36 Gd2 N6 O16 -","- C50 H42 F36 Gd2 N6 O16 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.0807","0.0528","","","0.1242","0.1427","","","","","","0.955","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046417","12.0282","0.0015","12.1219","0.0016","12.7435","0.0016","87.574","0.002","69.902","0.002","88.337","0.002","1743.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 F36 N6 O16 Yb2 -","- C50 H42 F36 N6 O16 Yb2 -","- C50 H42 F36 N6 O16 Yb2 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.0435","0.0385","","","0.0912","0.0956","","","","","","1.029","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046418","12.103","0.002","12.243","0.002","12.904","0.003","87.243","0.003","70.457","0.003","88.897","0.003","1799.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Er2 F36 N6 O16 -","- C50 H42 Er2 F36 N6 O16 -","- C50 H42 Er2 F36 N6 O16 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.0468","0.0372","","","0.0871","0.0936","","","","","","1.037","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046419","6.659","0.004","14.937","0.009","10.868","0.006","90","","97.26","0.01","90","","1072.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 N6 O4 -","- C20 H30 N6 O4 -","- C40 H60 N12 O8 -","2","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.078","0.068","","","0.1899","0.1995","","","","","","1.072","","","","has coordinates","229227","2020-10-21","18:00:00",""
"7046420","12.1095","0.0017","12.2669","0.0017","12.9368","0.0017","87.064","0.002","70.385","0.002","88.789","0.002","1807.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 F36 N6 O16 Tm2 -","- C50 H42 F36 N6 O16 Tm2 -","- C50 H42 F36 N6 O16 Tm2 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.0494","0.0384","","","0.0835","0.0911","","","","","","0.995","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046421","12.1195","0.0014","12.2577","0.0015","12.9172","0.0015","87.262","0.002","70.526","0.002","88.933","0.002","1807.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Dy2 F36 N6 O16 -","- C50 H42 Dy2 F36 N6 O16 -","- C50 H42 Dy2 F36 N6 O16 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.038","0.0309","","","0.0699","0.0745","","","","","","1.013","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046422","12.137","0.006","12.251","0.006","12.929","0.006","87.082","0.008","70.481","0.007","88.955","0.007","1809.6","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 F36 Ho2 N6 O16 -","- C50 H42 F36 Ho2 N6 O16 -","- C50 H42 F36 Ho2 N6 O16 -","1","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","A family of lanthanide compounds with reduced nitronyl nitroxide diradical: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7925","7933","10.1039/c8dt01112e","","","0.71073","MoKα","","0.0558","0.046","","","0.109","0.1225","","","","","","0.999","","","","has coordinates,has disorder","229227","2020-10-21","18:00:00",""
"7046423","13.2664","0.0003","17.6254","0.0004","55.0222","0.0017","90","","93.977","0.002","90","","12834.6","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H36 Ir N3 O2 P2 S2 -","- C50 H36 Ir N3 O2 P2 S2 -","- C600 H432 Ir12 N36 O24 P24 S24 -","12","1.5","","Niu, Zhi-Gang; Chen, Jun; Tan, Peng; Sun, Wei; Zheng, You-Xuan; Li, Gao-Nan; Zuo, Jing-Lin","Efficient yellow electroluminescence of four iridium(iii) complexes with benzo[d]thiazole derivatives as main ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8032","8040","10.1039/c8dt01479e","","","0.71073","MoKα","","0.0875","0.0673","","","0.0923","0.0991","","","","","","1.201","","","","has coordinates","229209","2020-10-21","18:00:00",""
"7046424","11.6332","0.0003","16.9857","0.0006","23.8858","0.0008","90","","90","","90","","4719.8","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H29 F4 Ir N3 O2 P2 S2 -","- C50 H29 F4 Ir N3 O2 P2 S2 -","- C200 H116 F16 Ir4 N12 O8 P8 S8 -","4","1","","Niu, Zhi-Gang; Chen, Jun; Tan, Peng; Sun, Wei; Zheng, You-Xuan; Li, Gao-Nan; Zuo, Jing-Lin","Efficient yellow electroluminescence of four iridium(iii) complexes with benzo[d]thiazole derivatives as main ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8032","8040","10.1039/c8dt01479e","","","0.71073","MoKα","","0.0582","0.0395","","","0.0608","0.0668","","","","","","0.976","","","","has coordinates","229209","2020-10-21","18:00:00",""
"7046425","14.2112","0.0003","20.0703","0.0005","20.8334","0.0004","109.056","0.002","109.9","0.0018","92.8019","0.0018","5194.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H34 F6 Ir N3 O2 P2 S2 -","- C52 H34 F6 Ir N3 O2 P2 S2 -","- C208 H136 F24 Ir4 N12 O8 P8 S8 -","4","2","","Niu, Zhi-Gang; Chen, Jun; Tan, Peng; Sun, Wei; Zheng, You-Xuan; Li, Gao-Nan; Zuo, Jing-Lin","Efficient yellow electroluminescence of four iridium(iii) complexes with benzo[d]thiazole derivatives as main ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8032","8040","10.1039/c8dt01479e","","x-ray","0.71073","MoKα","","0.0582","0.0358","","","0.0657","0.0732","","","","","","1.003","","","","has coordinates,has disorder","229209","2020-10-21","18:00:00",""
"7046426","10.987","0.005","13.145","0.006","16.023","0.007","96.187","0.019","94.34","0.019","106.6","0.02","2190.9","1.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H39 B Cu F4 N O P2 -","- C48 H39 B Cu F4 N O P2 -","- C96 H78 B2 Cu2 F8 N2 O2 P4 -","2","1","","Morais, Tânia S; Jousseaume, Yann; M Piedade, M Fátima; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Marques, Fernanda; Villa de Brito, Maria J.; Garcia, M. Helena","Important cytotoxic and cytostatic effects of new copper(i)-phosphane compounds with N,N, N,O and N,S bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7819","7829","10.1039/c8dt01653d","","","0.71073","MoKα","","0.1019","0.067","","","0.1944","0.2119","","","","","","1.144","","","","has coordinates","229894","2020-10-21","18:00:00",""
"7046427","11.169","0.0007","13.8156","0.0009","15.0939","0.0009","83.627","0.002","69.883","0.002","71.108","0.002","2069.2","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H38 B Cu F4 N2 O P2 Ru0 -","- C47 H38 B Cu F4 N2 O P2 -","- C94 H76 B2 Cu2 F8 N4 O2 P4 -","2","1","","Morais, Tânia S; Jousseaume, Yann; M Piedade, M Fátima; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Marques, Fernanda; Villa de Brito, Maria J.; Garcia, M. Helena","Important cytotoxic and cytostatic effects of new copper(i)-phosphane compounds with N,N, N,O and N,S bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7819","7829","10.1039/c8dt01653d","","","0.71073","MoKα","","0.084","0.0574","","","0.1362","0.1528","","","","","","1.035","","","","has coordinates","229894","2020-10-21","18:00:00",""
"7046428","10.564","0.0014","12.4697","0.0016","17.463","0.002","102.07","0.006","97.123","0.006","103.401","0.006","2152","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H40 B Cl2 Cu F4 N2 P2 -","- C47 H40 B Cl2 Cu F4 N2 P2 -","- C94 H80 B2 Cl4 Cu2 F8 N4 P4 -","2","1","","Morais, Tânia S; Jousseaume, Yann; M Piedade, M Fátima; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Marques, Fernanda; Villa de Brito, Maria J.; Garcia, M. Helena","Important cytotoxic and cytostatic effects of new copper(i)-phosphane compounds with N,N, N,O and N,S bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7819","7829","10.1039/c8dt01653d","","","0.71073","MoKα","","0.0571","0.0432","","","0.1288","0.1413","","","","","","0.991","","","","has coordinates","229894","2020-10-21","18:00:00",""
"7046429","11.952","0.002","13.949","0.002","14.71","0.003","100.285","0.008","98.437","0.009","95.128","0.008","2370","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H42 B Cl2 Cu F4 N4 P2 -","- C50.86 H41.72 B Cl1.72 Cu F4 N4 P2 -","- C101.72 H83.44 B2 Cl3.44 Cu2 F8 N8 P4 -","2","1","","Morais, Tânia S; Jousseaume, Yann; M Piedade, M Fátima; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Marques, Fernanda; Villa de Brito, Maria J.; Garcia, M. Helena","Important cytotoxic and cytostatic effects of new copper(i)-phosphane compounds with N,N, N,O and N,S bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7819","7829","10.1039/c8dt01653d","","","0.71073","MoKα","","0.1155","0.0861","","","0.2325","0.2478","","","","","","1.025","","","","has coordinates","229894","2020-10-21","18:00:00",""
"7046430","10.8372","0.0005","11.9688","0.0006","17.1523","0.0007","90.664","0.002","105.748","0.002","101.455","0.002","2093.57","0.17","160","2","160","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H39 B Cu F4 N P2 S -","- C49 H39 B Cu F4 N P2 S -","- C98 H78 B2 Cu2 F8 N2 P4 S2 -","2","1","","Morais, Tânia S; Jousseaume, Yann; M Piedade, M Fátima; Roma-Rodrigues, Catarina; Fernandes, Alexandra R.; Marques, Fernanda; Villa de Brito, Maria J.; Garcia, M. Helena","Important cytotoxic and cytostatic effects of new copper(i)-phosphane compounds with N,N, N,O and N,S bidentate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7819","7829","10.1039/c8dt01653d","","","0.71073","MoKα","","0.0482","0.0396","","","0.1039","0.1078","","","","","","1.08","","","","has coordinates","229894","2020-10-21","18:00:00",""
"7046431","17.45","0.004","15.904","0.003","34.461","0.007","90","","90","","90","","9564","3","153.15","0.1","153.15","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56.4 H47.4 Cl1.2 Ir N2 O3 -","- C56.4 H47.4 Cl1.2 Ir N2 O3 -","- C451.2 H379.2 Cl9.6 Ir8 N16 O24 -","8","1","","Chen, Mengzhen; Lan, Ying; Zheng, Jiqing; Pan, Fangfang; Song, Xiangzhi; He, Lei","No aggregation-induced-emission but quenching of phosphorescence for an iridium complex with a 2,2-diphenylvinyl motif: a joint experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8023","8031","10.1039/c8dt01084f","","","0.71073","MoKα","","0.0926","0.0808","","","0.1804","0.1878","","","","","","1.21","","","","has coordinates,has disorder","229229","2020-10-21","18:00:00",""
"7046432","12.48354","0.00018","14.42458","0.00019","10.73327","0.00014","90","","102.87","0.0012","90","","1884.18","0.05","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Cu(CH3-COO)2*1Cu(OH)2*5H2O, 2-1-5 phase","2-1-5 phase","","- C8 H24 Cu3 O15 -","- C8 Cu3 O15 -","- C32 Cu12 O60 -","4","1","","Bette, Sebastian; Kremer, Reinhard K.; Eggert, Gerhard; Dinnebier, Robert E.","On verdigris, part II: synthesis of the 2-1-5 phase, Cu<sub>3</sub>(CH<sub>3</sub>COO)<sub>4</sub>(OH)<sub>2</sub>·5H<sub>2</sub>O, by long-term crystallisation from aqueous solution at room temperature.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8209","8220","10.1039/c8dt01758a","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0067","","","","","","","","","has coordinates","229662","2020-10-21","18:00:00",""
"7046433","13.9653","0.0006","22.2882","0.0009","10.1167","0.0004","90","","118.238","0.002","90","","2774.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[AO]2NpCl2","","- C20 H29 Cl3 N8 Np O5 -","- C20 H27 Cl3 N8 Np O5 -","- C80 H108 Cl12 N32 Np4 O20 -","4","0.5","","Zhang, Zhicheng; Parker, Bernard F.; Lohrey, Trevor D.; Teat, Simon J.; Arnold, John; Rao, Linfeng","Complexation-assisted reduction: complexes of glutaroimide-dioxime with tetravalent actinides (Np(iv) and Th(iv)).","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8134","8141","10.1039/c8dt01191e","","","0.7749","synchrotron","","0.038","0.0308","","","0.0735","0.0758","","","","","","1.1","","","","has coordinates,has disorder","229223","2020-10-21","18:00:00",""
"7046434","24.609","0.004","10.4339","0.0014","11.1854","0.0016","90","","111.038","0.004","90","","2680.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Th(AmidA)3][NO3] hydrate","","","- C15 H30 N10 O12 Th -","- C15 H24 N10 O12 Th -","- C60 H96 N40 O48 Th4 -","4","0.5","","Zhang, Zhicheng; Parker, Bernard F.; Lohrey, Trevor D.; Teat, Simon J.; Arnold, John; Rao, Linfeng","Complexation-assisted reduction: complexes of glutaroimide-dioxime with tetravalent actinides (Np(iv) and Th(iv)).","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8134","8141","10.1039/c8dt01191e","","","0.7749","synchrotron","","0.0922","0.0743","","","0.1918","0.2007","","","","","","1.249","","","","has coordinates,has disorder","229223","2020-10-21","18:00:00",""
"7046435","25.76","0.02","10.221","0.007","11.28","0.008","90","","108.573","0.006","90","","2815","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(AmidA-H2)3Np][ClO4](H2O)2","","","- C15 H32 Cl N9 Np O14 -","- C15 H32 Cl N9 Np O14 -","- C60 H128 Cl4 N36 Np4 O56 -","4","0.5","","Zhang, Zhicheng; Parker, Bernard F.; Lohrey, Trevor D.; Teat, Simon J.; Arnold, John; Rao, Linfeng","Complexation-assisted reduction: complexes of glutaroimide-dioxime with tetravalent actinides (Np(iv) and Th(iv)).","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8134","8141","10.1039/c8dt01191e","","","0.7749","synchrotron","","0.0198","0.0193","","","0.0543","0.055","","","","","","1.123","","","","has coordinates,has disorder","229223","2020-10-21","18:00:00",""
"7046436","8.4809","0.0003","12.392","0.0006","12.8512","0.0006","92.174","0.004","99.176","0.004","103.153","0.004","1294.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cd Cl2 N3 O4 -","- C23 H23 Cd Cl2 N3 O4 -","- C46 H46 Cd2 Cl4 N6 O8 -","2","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Hierarchically controllable photoreaction of a coordination polymer based on quaternized 1,2-bis(4'-pyridyl)ethylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9051","9056","10.1039/c8dt01535j","","","1.54178","CuKα","","0.0626","0.0549","","","0.1485","0.1607","","","","","","1.098","","","","has coordinates","229312","2020-10-21","18:00:00",""
"7046437","11.1861","0.0006","12.232","0.0005","16.1257","0.0011","90","","95.466","0.007","90","","2196.4","0.2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 B F4 N4 O3 Re -","- C20 H20 B F4 N4 O3 Re -","- C80 H80 B4 F16 N16 O12 Re4 -","4","1","","Hallett, Andrew J.; Placet, Emeline; Prieux, Roxane; McCafferty, Danielle; Platts, James A.; Lloyd, David; Isaacs, Marc; Hayes, Anthony J.; Coles, Simon J.; Pitak, Mateusz B.; Marchant, Sarah; Marriott, Stephen N.; Allemann, Rudolf K.; Dervisi, Athanasia; Fallis, Ian A.","Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14241","14253","10.1039/c8dt00669e","","","0.71075","MoKα","","0.0219","0.0201","","","0.0494","0.0501","","","","","","1.063","","","","has coordinates","229736","2020-10-21","18:00:00",""
"7046438","11.0109","0.0008","17.8468","0.0013","13.4164","0.0009","90","","111.137","0.002","90","","2459.1","0.3","100","2","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 B Cl3 F4 N3 O3 Re S -","- C19 H16 B Cl3 F4 N3 O3 Re S -","- C76 H64 B4 Cl12 F16 N12 O12 Re4 S4 -","4","1","","Hallett, Andrew J.; Placet, Emeline; Prieux, Roxane; McCafferty, Danielle; Platts, James A.; Lloyd, David; Isaacs, Marc; Hayes, Anthony J.; Coles, Simon J.; Pitak, Mateusz B.; Marchant, Sarah; Marriott, Stephen N.; Allemann, Rudolf K.; Dervisi, Athanasia; Fallis, Ian A.","Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14241","14253","10.1039/c8dt00669e","","","0.71075","MoKα","","0.0317","0.03","","","0.0842","0.0854","","","","","","1.075","","","","has coordinates","229736","2020-10-21","18:00:00",""
"7046439","12.1102","0.0009","13.1182","0.0009","14.8639","0.001","90","","90","","90","","2361.3","0.3","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F3 N3 O7 Re S2 -","- C20 H17 F3 N3 O7 Re S2 -","- C80 H68 F12 N12 O28 Re4 S8 -","4","1","","Hallett, Andrew J.; Placet, Emeline; Prieux, Roxane; McCafferty, Danielle; Platts, James A.; Lloyd, David; Isaacs, Marc; Hayes, Anthony J.; Coles, Simon J.; Pitak, Mateusz B.; Marchant, Sarah; Marriott, Stephen N.; Allemann, Rudolf K.; Dervisi, Athanasia; Fallis, Ian A.","Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14241","14253","10.1039/c8dt00669e","","","0.71075","MoKα","","0.0261","0.0258","","","0.0655","0.0657","","","","","","1.043","","","","has coordinates","229736","2020-10-21","18:00:00",""
"7046440","23.7521","0.0016","26.2871","0.0019","27.5687","0.0019","90","","90","","90","","17213","2","293","2","293","2","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C100 H97 Mo24 N20 O88 P2 Ru2 Zn4 -","- C100 H80 Mo24 N20 O84 P2 Ru2 Zn4 -","- C400 H320 Mo96 N80 O336 P8 Ru8 Zn16 -","4","0.5","","Salomon, William; Rivière, Eric; López, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jérôme; Dolbecq, Anne","Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10636","10645","10.1039/c8dt01313f","","","0.71073","MoKα","","0.1592","0.0643","","","0.1672","0.2064","","","","","","0.902","","","","has coordinates","229845","2020-10-21","18:00:00",""
"7046441","16.2786","0.0008","26.8916","0.0014","18.6653","0.0009","90","","103.107","0.001","90","","7958","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Mo14 N7 O43 P Ru -","- C46 H58 Mo14 N7 O43 P Ru -","- C184 H232 Mo56 N28 O172 P4 Ru4 -","4","1","","Salomon, William; Rivière, Eric; López, Xavier; Suaud, Nicolas; Mialane, Pierre; Haouas, Mohamed; Saad, Ali; Marrot, Jérôme; Dolbecq, Anne","Bicapped Keggin polyoxomolybdates: discrete species and experimental and theoretical investigations on the electronic delocalization in a chain compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10636","10645","10.1039/c8dt01313f","","","0.71073","MoKα","","0.1423","0.0634","","","0.1275","0.1638","","","","","","0.992","","","","has coordinates","229845","2020-10-21","18:00:00",""
"7046442","26.4536","0.0011","8.4495","0.0003","24.1754","0.001","90","","116.853","0.001","90","","4821","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 B3 N2 P2 -","- C16 H45 B3 N2 P2 -","- C128 H360 B24 N16 P16 -","8","2","","Köster, Marcel; Kreher, Annikka; von Hänisch, Carsten","Synthesis of ternary group 13/15 chain compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7875","7878","10.1039/c8dt01119b","","","0.71073","MoKα","","0.0572","0.0427","","","0.0924","0.0968","","","","","","1.133","","","","has coordinates","229218","2020-10-21","18:00:00",""
"7046443","6.3544","0.0005","8.4271","0.0007","11.7497","0.0009","99.059","0.007","95.591","0.006","109.064","0.006","579.74","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H23 B N P -","- C8 H23 B N P -","- C16 H46 B2 N2 P2 -","2","1","","Köster, Marcel; Kreher, Annikka; von Hänisch, Carsten","Synthesis of ternary group 13/15 chain compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7875","7878","10.1039/c8dt01119b","","","0.71073","MoKα","","0.0861","0.0482","","","0.1028","0.1181","","","","","","1.015","","","","has coordinates","229218","2020-10-21","18:00:00",""
"7046444","16.5685","0.0006","11.5095","0.0004","17.2952","0.0006","90","","115.201","0.001","90","","2984.2","0.18","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H57 Al N2 P2 -","- C24 H57 Al N2 P2 -","- C96 H228 Al4 N8 P8 -","4","2","","Köster, Marcel; Kreher, Annikka; von Hänisch, Carsten","Synthesis of ternary group 13/15 chain compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7875","7878","10.1039/c8dt01119b","","x-ray","0.71073","MoKα","","0.0498","0.0402","","","0.0935","0.0979","","","","","","1.028","","","","has coordinates","229218","2020-10-21","18:00:00",""
"7046445","8.7135","0.0005","11.0101","0.0006","15.2569","0.0008","71.092","0.002","85.633","0.003","70.883","0.002","1307.61","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H50 Ga N P -","- C23 H50 Ga N P -","- C46 H100 Ga2 N2 P2 -","2","1","","Köster, Marcel; Kreher, Annikka; von Hänisch, Carsten","Synthesis of ternary group 13/15 chain compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7875","7878","10.1039/c8dt01119b","","x-ray","0.71073","MoKα","","0.0184","0.0174","","","0.0444","0.045","","","","","","1.092","","","","has coordinates,has disorder","229218","2020-10-21","18:00:00",""
"7046446","13.6678","0.0014","10.8474","0.0011","27.483","0.003","90","","93.15","0.002","90","","4068.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 Mo7 N6 O26 -","- C2 Mo7 N6 O26 -","- C8 Mo28 N24 O104 -","4","1","","Porter, Ashlin G.; Hu, Hanfeng; Liu, Xuemei; Raghavan, Adharsh; Adhikari, Sarju; Hall, Derrick R.; Thompson, Dylan J.; Liu, Bin; Xia, Yu; Ren, Tong","Heptamolybdate: a highly active sulfide oxygenation catalyst.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11882","11887","10.1039/c8dt00583d","","","0.71073","MoKα","","0.0615","0.0458","","","0.1284","0.1336","","","","","","1.038","","","","has coordinates","229977","2020-10-21","18:00:00",""
"7046447","7.793","0.0005","19.0947","0.0016","22.1843","0.0017","90","","90","","90","","3301.1","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM-56","","- C19 H15 Br N4 -","- C19 H15 Br N4 -","- C152 H120 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","x-ray","0.71073","MoKα","","0.1071","0.0574","","","0.1311","0.1525","","","","","","1.031","","","","has coordinates,has disorder","229909","2020-10-21","18:00:00",""
"7046448","7.5786","0.0002","7.6027","0.0002","11.5003","0.0003","95.922","0.002","97.598","0.002","104.249","0.002","630.21","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","4-(p-Bromophenyl)-8-nitrochinolin","","- C15 H9 Br N2 O2 -","- C15 H9 Br N2 O2 -","- C30 H18 Br2 N4 O4 -","2","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.057","0.048","","","0.1312","0.1341","","","","","","1.067","","","","has coordinates","229909","2020-10-21","18:00:00",""
"7046449","7.0881","0.0003","21.2183","0.0011","22.2028","0.0009","90","","90","","90","","3339.2","0.3","123","","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM61","","- C20 H16 Br N4 -","- C20 H16 Br N4 -","- C160 H128 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0326","0.0292","","","0.0738","0.0755","","","","","","1.095","","","","has coordinates","229909","2020-10-21","18:00:00",""
"7046450","7.7989","0.0009","18.971","0.003","22.455","0.004","90","","90","","90","","3322.3","0.9","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","AM58NL","","- C20 H15 Br N4 -","- C20 H15 Br N4 -","- C160 H120 Br8 N32 -","8","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0963","0.0563","","","0.1111","0.126","","","","","","1.053","","","","has coordinates","229909","2020-10-21","18:00:00",""
"7046451","11.3738","0.0004","29.4286","0.001","17.1665","0.0008","90","","99.87","0.004","90","","5660.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co2 N7 O7 -","- C44 H28 Co2 N7 O7 -","- C176 H112 Co8 N28 O28 -","4","1","","Li, Haipeng; Li, Shu'ni; Hou, Xiangyang; Jiang, Yucheng; Hu, Mancheng; Zhai, Quan-Guo","Enhanced gas separation performance of an ultramicroporous pillared-layer framework induced by hanging bare Lewis basic pyridine groups.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9310","9316","10.1039/c8dt01592a","","","0.71073","MoKα","","0.1011","0.0786","","","0.2306","0.2473","","","","","","1.062","","","","has coordinates","229206","2020-10-21","18:00:00",""
"7046452","6.347","0.0004","10.9429","0.0007","13.4498","0.0009","68.09","0.002","84.194","0.002","79.22","0.002","850.88","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H22 Ag2 F6 N6 O6 S2 -","- C30 H22 Ag2 F6 N6 O6 S2 -","- C30 H22 Ag2 F6 N6 O6 S2 -","1","0.5","","Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit","Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7992","8002","10.1039/c8dt01521j","","","0.71073","MoKα","","0.0407","0.0342","","","0.1017","0.109","","","","","","0.842","","","","has coordinates","229220","2020-10-21","18:00:00",""
"7046453","5.7679","0.0005","20.423","0.0016","13.8248","0.001","90","","93.623","0.003","90","","1625.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F3 N3 O3 S -","- C15 H12 F3 N3 O3 S -","- C60 H48 F12 N12 O12 S4 -","4","1","","Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit","Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7992","8002","10.1039/c8dt01521j","","","0.71073","MoKα","","0.0869","0.0551","","","0.1105","0.1221","","","","","","1.026","","","","has coordinates","229220","2020-10-21","18:00:00",""
"7046454","11.3183","0.0012","12.0408","0.0012","13.823","0.0013","65.85","0.004","89.91","0.004","75.722","0.004","1655.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C63 H52 Ag3 F9 N12 O10 S3 -","- C63 H52 Ag3 F9 N12 O10 S3 -","- C63 H52 Ag3 F9 N12 O10 S3 -","1","1","","Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit","Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7992","8002","10.1039/c8dt01521j","","","0.71073","MoKα","","0.0583","0.0431","","","0.0826","0.0879","","","","","","1.019","","","","has coordinates,has disorder","229220","2020-10-21","18:00:00",""
"7046455","11.6056","0.0011","11.9727","0.0012","25.294","0.002","99.526","0.004","92.15","0.003","105.03","0.003","3335.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H44 Ag4 F12 N12 O12 S4 -","- C60 H44 Ag4 F12 N12 O12 S4 -","- C120 H88 Ag8 F24 N24 O24 S8 -","2","1","","Suntrup, Lisa; Kleoff, Merlin; Sarkar, Biprajit","Serendipitous discoveries of new coordination modes of the 1,5-regioisomer of 1,2,3-triazoles enroute to the attempted synthesis of a carbon-anchored tri-mesoionic carbene.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7992","8002","10.1039/c8dt01521j","","","0.71073","MoKα","","0.0529","0.0378","","","0.0797","0.0847","","","","","","1.031","","","","has coordinates","229220","2020-10-21","18:00:00",""
"7046456","12.1916","0.0005","27.8951","0.0012","14.2943","0.0006","90","","111.665","0.002","90","","4517.9","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H94 Cl4 Fe4 N6 O18 -","- C98 H94 Cl4 Fe4 N6 O18 -","- C196 H188 Cl8 Fe8 N12 O36 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0604","0.0515","","","0.1391","0.1488","","","","","","1.051","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046457","10.7824","0.0006","18.1395","0.0008","11.301","0.0006","90","","99.806","0.002","90","","2178.04","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C49 H49 Fe N4 O7 -","- C49 H49 Fe N4 O7 -","- C98 H98 Fe2 N8 O14 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0242","0.0228","","","0.0553","0.056","","","","","","1.052","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046458","12.2369","0.0006","27.7723","0.0016","14.2521","0.001","90","","112.288","0.002","90","","4481.7","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C100 H96 Fe4 N8 O18 -","- C100 H96 Fe4 N8 O18 -","- C200 H192 Fe8 N16 O36 -","2","1","","Mayans, Julia; Font-Bardia, Mercè; Escuer, Albert","Chiroptical and magnetic properties of star-shaped Fe complexes from chiral Schiff bases. Structural and magnetic correlations based on continuous shape measures.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8392","8401","10.1039/c8dt01684d","","","0.71073","MoKα","","0.0363","0.0331","","","0.075","0.0764","","","","","","1.102","","","","has coordinates","229660","2020-10-21","18:00:00",""
"7046459","18.3905","0.0004","22.6878","0.0009","19.0917","0.0006","90","","90","","90","","7965.8","0.4","119.99","0.1","120","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C75 H72 B4 F16 Fe2 N25.5 -","- C75 H72 B4 F16 Fe2 N25.5 -","- C300 H288 B16 F64 Fe8 N102 -","4","0.5","","Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.","Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7965","7974","10.1039/c8dt01567h","","","1.54184","CuKα","","0.1277","0.0879","","","0.2606","0.302","","","","","","1.029","","","","has coordinates,has disorder","229225","2020-10-21","18:00:00",""
"7046460","27.8736","0.0008","28.1738","0.0006","14.1358","0.0003","90","","114.96","0.002","90","","10064.1","0.4","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C89 H79 B4 Cl3 F16 Fe2 N20 O -","- C89 H79 B4 Cl3 F16 Fe2 N20 O -","- C356 H316 B16 Cl12 F64 Fe8 N80 O4 -","4","0.5","","Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.","Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7965","7974","10.1039/c8dt01567h","","","1.54184","CuKα","","0.0963","0.0806","","","0.2326","0.2501","","","","","","1.036","","","","has coordinates,has disorder","229225","2020-10-21","18:00:00",""
"7046461","13.9106","0.0005","15.9337","0.0006","24.8612","0.0009","73.547","0.003","75.732","0.003","73.498","0.003","4983.8","0.3","279.17","0.1","279.17","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C75 H70 B4 Cl3 F16 Fe2 N25 O0.5 -","- C75 H70 B4 Cl3 F16 Fe2 N25 O0.5 -","- C150 H140 B8 Cl6 F32 Fe4 N50 O -","2","1","","Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.","Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7965","7974","10.1039/c8dt01567h","","","1.54184","CuKα","","0.1043","0.0832","","","0.2333","0.2546","","","","","","1.06","","","","has coordinates,has disorder","229225","2020-10-21","18:00:00",""
"7046462","14.1516","0.0009","16.1395","0.0008","24.9544","0.0011","73.358","0.004","76.332","0.005","73.466","0.005","5160.2","0.5","240.43","0.1","240.43","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C72.5 H66.5 B4 Cl2 F16 Fe2 N24 O -","- C72.5 H66.5 B4 Cl2 F16 Fe2 N24 O -","- C145 H133 B8 Cl4 F32 Fe4 N48 O2 -","2","1","","Archer, Rosanna J.; Scott, Hayley S.; Polson, Matthew I. J.; Williamson, Bryce E.; Mathonière, Corine; Rouzières, Mathieu; Clérac, Rodolphe; Kruger, Paul E.","Varied spin crossover behaviour in a family of dinuclear Fe(ii) triple helicate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","7965","7974","10.1039/c8dt01567h","","","1.54184","CuKα","","0.1987","0.1484","","","0.3795","0.4516","","","","","","1.241","","","","has coordinates","229225","2020-10-21","18:00:00",""
"7046463","15.709","0.003","9.8734","0.0016","21.052","0.004","90","","107.544","0.004","90","","3113.3","1","113","2","113.3","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H48 N4 O17 Sm2 -","- C52 H48 N4 O17 Sm2 -","- C104 H96 N8 O34 Sm4 -","2","0.5","","Li, Hui; Liu, Hong-Bin; Tao, Xiao-Min; Su, Jian; Ning, Ping-Fan; Xu, Xiu-Fang; Zhou, Yu; Gu, Wen; Liu, Xin","Novel single component tri-rare-earth emitting MOF for warm white light LEDs.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8427","8433","10.1039/c8dt01477a","","","0.71073","MoKα","","0.0421","0.035","","","0.1156","0.1224","","","","","","1.021","","","","has coordinates","229667","2020-10-21","18:00:00",""
"7046464","15.7583","0.0013","9.7867","0.001","20.955","0.0018","90","","108.1","0.003","90","","3071.8","0.5","113","2","113.3","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H48 Dy2 N4 O17 -","- C52 H48 Dy2 N4 O17 -","- C104 H96 Dy4 N8 O34 -","2","0.5","","Li, Hui; Liu, Hong-Bin; Tao, Xiao-Min; Su, Jian; Ning, Ping-Fan; Xu, Xiu-Fang; Zhou, Yu; Gu, Wen; Liu, Xin","Novel single component tri-rare-earth emitting MOF for warm white light LEDs.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8427","8433","10.1039/c8dt01477a","","","0.71073","MoKα","","0.0326","0.0298","","","0.088","0.0896","","","","","","1.091","","","","has coordinates","229667","2020-10-21","18:00:00",""
"7046465","15.7666","0.0014","9.7926","0.0008","20.9867","0.0019","90","","107.985","0.002","90","","3081.9","0.5","113","2","113.3","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H48 N4 O17 Tb2 -","- C52 H48 N4 O17 Tb2 -","- C104 H96 N8 O34 Tb4 -","2","0.5","","Li, Hui; Liu, Hong-Bin; Tao, Xiao-Min; Su, Jian; Ning, Ping-Fan; Xu, Xiu-Fang; Zhou, Yu; Gu, Wen; Liu, Xin","Novel single component tri-rare-earth emitting MOF for warm white light LEDs.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8427","8433","10.1039/c8dt01477a","","","0.71073","MoKα","","0.0326","0.0298","","","0.088","0.0896","","","","","","1.09","","","","has coordinates","229667","2020-10-21","18:00:00",""
"7046466","10.337","0.006","34.87","0.02","8.498","0.005","90","","101.049","0.013","90","","3006","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O4 Ru S2 -","- C30 H26 N6 O4 Ru S2 -","- C120 H104 N24 O16 Ru4 S8 -","4","1","","Tingare, Yogesh S.; Akula, Suri Babu; Shen, Ming-Tai; Su, Chaochin; Ho, Shih-Yu; Tsai, Sheng-Han; Lin, Ya-Fen; Li, Wen-Ren","The effect of cis-trans configurational difference on the performance of pyridylimine-based ruthenium sensitizers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8356","8363","10.1039/c8dt01131a","","","0.71073","MoKα","","0.2477","0.0964","","","0.1756","0.2377","","","","","","0.947","","","","has coordinates","229669","2020-10-21","18:00:00",""
"7046467","12.1605","0.0004","12.2206","0.0004","25.5273","0.0008","90","","93.388","0.002","90","","3786.9","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Cl2 N6 O4 Ru S2 -","- C37 H32 Cl2 N6 O4 Ru S2 -","- C148 H128 Cl8 N24 O16 Ru4 S8 -","4","1","","Tingare, Yogesh S.; Akula, Suri Babu; Shen, Ming-Tai; Su, Chaochin; Ho, Shih-Yu; Tsai, Sheng-Han; Lin, Ya-Fen; Li, Wen-Ren","The effect of cis-trans configurational difference on the performance of pyridylimine-based ruthenium sensitizers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8356","8363","10.1039/c8dt01131a","","","0.71073","MoKα","","0.0578","0.0418","","","0.1118","0.1245","","","","","","1.015","","","","has coordinates","229669","2020-10-21","18:00:00",""
"7046468","12.508","0.005","17.601","0.008","18.137","0.008","111.009","0.008","102.642","0.009","90.125","0.007","3623","3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C77.25 H68.5 Cl2.5 F6 Ir N6 P -","- C77.25 H68.5 Cl2.5 F6 Ir N6 P -","- C154.5 H137 Cl5 F12 Ir2 N12 P2 -","2","1","","Hierlinger, Claus; Cordes, David B.; Slawin, Alexandra M. Z.; Colombo, Alessia; Dragonetti, Claudia; Righetto, Stefania; Roberto, Dominique; Jacquemin, Denis; Zysman-Colman, Eli; Guerchais, Véronique","An investigation on the second-order nonlinear optical response of cationic bipyridine or phenanthroline iridium(iii) complexes bearing cyclometallated 2-phenylpyridines with a triphenylamine substituent.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8292","8300","10.1039/c8dt00754c","","","0.71075","MoKα","","0.2055","0.0869","","","0.1685","0.2173","","","","","","1.024","","","","has coordinates","229668","2020-10-21","18:00:00",""
"7046469","9.4204","0.0009","9.3731","0.0007","20.8127","0.0015","90","","98.482","0.008","90","","1817.6","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N O P -","- C19 H22 N O P -","- C76 H88 N4 O4 P4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.1356","0.0553","","","0.1068","0.1371","","","","","","1","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046470","15.2771","0.001","10.0576","0.0005","15.8197","0.001","90","","115.809","0.008","90","","2188.2","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N3 Ni -","- C20 H32 Cl N3 Ni -","- C80 H128 Cl4 N12 Ni4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.0834","0.0463","","","0.102","0.1189","","","","","","1.017","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046471","9.6206","0.0002","11.6272","0.0002","16.5733","0.0003","90","","90","","90","","1853.9","0.06","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N Ni O P -","- C19 H21 Cl N Ni O P -","- C76 H84 Cl4 N4 Ni4 O4 P4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.0246","0.021","","","0.0542","0.055","","","","","","1.076","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046472","11.6387","0.0003","10.5076","0.0002","10.8961","0.0002","90","","90","","90","","1332.54","0.05","223","","223","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H21 Cl N2 Ni O -","- C11 H21 Cl N2 Ni O -","- C44 H84 Cl4 N8 Ni4 O4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.0211","0.0196","","","0.0518","0.053","","","","","","1.036","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046473","12.8581","0.0007","17.3981","0.0009","25.6343","0.0015","90","","103.042","0.005","90","","5586.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H56 Cl Cu N2 Se -","- C69 H56 Cl Cu N2 Se -","- C276 H224 Cl4 Cu4 N8 Se4 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","","0.71073","MoKα","","0.0883","0.0497","","","0.097","0.1157","","","","","","1.04","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046474","10.6799","0.0019","18.245","0.003","14.256","0.002","90","","98.22","0.015","90","","2749.3","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl Cu N2 Se -","- C27 H36 Cl Cu N2 Se -","- C108 H144 Cl4 Cu4 N8 Se4 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","","0.71073","MoKα","","0.0712","0.0448","","","0.096","0.1139","","","","","","1.022","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046475","27.3848","0.0004","15.0419","0.0002","27.9825","0.0004","90","","106.277","0.002","90","","11064.5","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H73 Ag Cl2 N6 O Se3 -","- C45.5 H73 Ag Cl2 N6 O Se3 -","- C364 H584 Ag8 Cl16 N48 O8 Se24 -","8","2","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","1.54184","CuKα","","0.0779","0.0634","","","0.175","0.1895","","","","","","1.047","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046476","8.388","0.0012","19.011","0.003","13.4119","0.0019","90","","97.387","0.014","90","","2121","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl2 Cu2 N4 Se2 -","- C42 H48 Cl2 Cu2 N4 Se2 -","- C84 H96 Cl4 Cu4 N8 Se4 -","2","0.5","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","","0.71073","MoKα","","0.0628","0.0398","","","0.0784","0.0895","","","","","","1.074","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046477","14.339","0.0005","14.7102","0.0007","21.2622","0.0008","90","","103.538","0.004","90","","4360.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl2 Cu2 N4 Se2 -","- C42 H52 Cl2 Cu2 N4 Se2 -","- C168 H208 Cl8 Cu8 N16 Se8 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","","0.71073","MoKα","","0.1127","0.0556","","","0.0907","0.1106","","","","","","1.019","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046478","9.6458","0.0006","11.2385","0.0012","11.6775","0.0008","61.398","0.009","74.631","0.006","66.612","0.008","1015.67","0.17","100.2","0.6","100.2","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Ag2 Cl2 N4 Se2 -","- C42 H48 Ag2 Cl2 N4 Se2 -","- C42 H48 Ag2 Cl2 N4 Se2 -","1","0.5","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","0.71073","MoKα","","0.1459","0.0685","","","0.0785","0.0943","","","","","","1.066","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046479","12.5173","0.0003","13.8453","0.0002","16.5647","0.0003","92.768","0.002","99.075","0.002","102.185","0.002","2761.04","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H96 Ag Cl N4 Se2 -","- C54 H96 Ag Cl N4 Se2 -","- C108 H192 Ag2 Cl2 N8 Se4 -","2","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","0.71073","MoKα","","0.0783","0.0495","","","0.1043","0.1188","","","","","","1.038","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046480","15.239","0.0002","10.4304","0.0001","27.0621","0.0003","90","","90.664","0.001","90","","4301.2","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.5 H61 Ag1.5 Cl2.5 N6 Se3 -","- C33.5 H61 Ag1.5 Cl2.5 N6 Se3 -","- C134 H244 Ag6 Cl10 N24 Se12 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","","1.54184","CuKα","","0.0488","0.0388","","","0.1014","0.108","","","","","","1.034","","","","has coordinates,has disorder","229830","2020-10-21","18:00:00",""
"7046481","16.4565","0.0004","20.0342","0.0007","24.4535","0.0006","90","","106.086","0.002","90","","7746.5","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H76 Ag Cl13 N4 Se2 -","- C58 H76 Ag Cl13 N4 Se2 -","- C232 H304 Ag4 Cl52 N16 Se8 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","1.54184","CuKα","","0.1208","0.0913","","","0.1653","0.1786","","","","","","1.032","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046482","16.3612","0.0002","30.0343","0.0004","18.7111","0.0003","90","","107.848","0.002","90","","8752.1","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77 H122 Ag2 Cl4 N12 O6 Se5 -","- C77 H122 Ag2 Cl4 N12 O6 Se5 -","- C308 H488 Ag8 Cl16 N48 O24 Se20 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","1.54184","CuKα","","0.0841","0.0668","","","0.1759","0.196","","","","","","1.036","","","","has coordinates,has disorder","229830","2020-10-21","18:00:00",""
"7046483","16.1058","0.0006","23.5607","0.0006","19.0856","0.0006","90","","110.665","0.004","90","","6776.3","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H73 Ag Cl3 N5 O3 Se2 -","- C55 H73 Ag Cl3 N5 O3 Se2 -","- C220 H292 Ag4 Cl12 N20 O12 Se8 -","4","1","","Nahra, Fady; Van Hecke, Kristof; Kennedy, Alan R.; Nelson, David J.","Coinage metal complexes of selenoureas derived from N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10671","10684","10.1039/c8dt01506f","","x-ray","1.54184","CuKα","","0.0908","0.0632","","","0.1587","0.1832","","","","","","1.066","","","","has coordinates","229830","2020-10-21","18:00:00",""
"7046484","7.113","0.0003","10.2464","0.0005","26.0466","0.0013","90","","91.273","0.004","90","","1897.88","0.15","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Cl3 Cr2 N2 O6 -","- C11 H25 Cl3 Cr2 N2 O6 -","- C44 H100 Cl12 Cr8 N8 O24 -","4","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.0483","0.0419","","","0.097","0.0984","","","","","","1.117","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046485","7.10996","0.00016","10.2978","0.0002","13.8317","0.0003","90","","103.201","0.002","90","","985.95","0.04","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H27 Cl3 Cr2 N2 O6 -","- C12 H27 Cl3 Cr2 N2 O6 -","- C24 H54 Cl6 Cr4 N4 O12 -","2","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.0302","0.0274","","","0.0564","0.0582","","","","","","1.057","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046486","14.0747","0.0004","10.3531","0.0002","31.3324","0.001","90","","90","","90","","4565.7","0.2","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl3 Cr2 N2 O6 -","- C15 H33 Cl3 Cr2 N2 O6 -","- C120 H264 Cl24 Cr16 N16 O48 -","8","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.0915","0.099","","","","","","1.11","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046487","16.1908","0.0003","10.41623","0.00019","14.1087","0.0003","90","","101.56","0.002","90","","2331.13","0.08","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 Cl3 Cr2 N2 O6 -","- C17 H29 Cl3 Cr2 N2 O6 -","- C68 H116 Cl12 Cr8 N8 O24 -","4","1","","Fraser, Hector W. L.; Smythe, Lucy; Dey, Sourav; Nichol, Gary S.; Piligkos, Stergios; Rajaraman, Gopalan; Brechin, Euan K.","A simple methodology for constructing ferromagnetically coupled Cr(iii) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8100","8109","10.1039/c8dt01963k","","x-ray","0.71073","MoKα","","0.0334","0.0286","","","0.0671","0.0696","","","","","","1.04","","","","has coordinates","229213","2020-10-21","18:00:00",""
"7046488","9.329","0.0007","10.788","0.0008","11.7803","0.0009","109.925","0.001","98.299","0.001","103.91","0.001","1048.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 N9 O10 Pb2 -","- C48 H26 N9 O10 Pb2 -","- C48 H26 N9 O10 Pb2 -","1","0.5","","Li, Zhi-Min; Qiao, Yu; Liu, Chun-Bo; Zhou, Yan-Feng; Wang, Xiu-Yan; Charpentier, Paul A.; Che, Guang-Bo; Xu, William Z.; Liu, Li-Hui; Zhu, En-Wei","Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7761","7775","10.1039/c8dt00997j","","","0.71073","MoKα","","0.042","0.0325","","","0.0645","0.0683","","","","","","0.995","","","","has coordinates","229888","2020-10-21","18:00:00",""
"7046489","9.8473","0.0007","10.8694","0.0008","19.4576","0.0015","90","","99.675","0.001","90","","2053","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H25 N8 O9 Pb2 -","- C48 H25 N8 O9 Pb2 -","- C96 H50 N16 O18 Pb4 -","2","0.5","","Li, Zhi-Min; Qiao, Yu; Liu, Chun-Bo; Zhou, Yan-Feng; Wang, Xiu-Yan; Charpentier, Paul A.; Che, Guang-Bo; Xu, William Z.; Liu, Li-Hui; Zhu, En-Wei","Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7761","7775","10.1039/c8dt00997j","","","0.71073","MoKα","","0.0431","0.0278","","","0.0497","0.0549","","","","","","1.004","","","","has coordinates","229888","2020-10-21","18:00:00",""
"7046490","9.8904","0.0014","11.1127","0.0016","19.284","0.003","90","","101.938","0.003","90","","2073.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H26 N9 O8 Pb2 -","- C48 H26 N9 O8 Pb2 -","- C96 H52 N18 O16 Pb4 -","2","0.5","","Li, Zhi-Min; Qiao, Yu; Liu, Chun-Bo; Zhou, Yan-Feng; Wang, Xiu-Yan; Charpentier, Paul A.; Che, Guang-Bo; Xu, William Z.; Liu, Li-Hui; Zhu, En-Wei","Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7761","7775","10.1039/c8dt00997j","","","0.71073","MoKα","","0.0634","0.0365","","","0.0616","0.0694","","","","","","0.984","","","","has coordinates","229888","2020-10-21","18:00:00",""
"7046491","9.475","0.0005","10.0435","0.0005","12.8759","0.0007","80.183","0.001","68.851","0.001","78.432","0.001","1113.08","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N5 O4 Pb -","- C26 H15 N5 O4 Pb -","- C52 H30 N10 O8 Pb2 -","2","1","","Li, Zhi-Min; Qiao, Yu; Liu, Chun-Bo; Zhou, Yan-Feng; Wang, Xiu-Yan; Charpentier, Paul A.; Che, Guang-Bo; Xu, William Z.; Liu, Li-Hui; Zhu, En-Wei","Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7761","7775","10.1039/c8dt00997j","","","0.71073","MoKα","","0.0254","0.0228","","","0.0543","0.0554","","","","","","1.051","","","","has coordinates","229888","2020-10-21","18:00:00",""
"7046492","9.8725","0.0005","10.8203","0.0005","19.3515","0.0009","90","","100.428","0.001","90","","2033.05","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 N4 O4 Pb -","- C24 H13 N4 O4 Pb -","- C96 H52 N16 O16 Pb4 -","4","1","","Li, Zhi-Min; Qiao, Yu; Liu, Chun-Bo; Zhou, Yan-Feng; Wang, Xiu-Yan; Charpentier, Paul A.; Che, Guang-Bo; Xu, William Z.; Liu, Li-Hui; Zhu, En-Wei","Syntheses, crystal structures, adsorption properties and visible photocatalytic activities of highly stable Pb-based coordination polymers constructed by 2-(2-carboxyphenyl)imidazo(4,5-f)-(1,10)phenanthroline and bridging linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7761","7775","10.1039/c8dt00997j","","","0.71073","MoKα","","0.0267","0.0225","","","0.0544","0.056","","","","","","1.044","","","","has coordinates","229888","2020-10-21","18:00:00",""
"7046493","13.406","0.004","29.17","0.009","14.794","0.004","90","","94.859","0.011","90","","5764","3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H62 N4 P2 -","- C76 H62 N4 P2 -","- C304 H248 N16 P8 -","4","1","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.046","0.0396","","","0.1041","0.1082","","","","","","1.066","","","","has coordinates","229654","2020-10-21","18:00:00",""
"7046494","9.6711","0.0006","9.951","0.0004","10.2311","0.0007","106.972","0.005","90.419","0.006","93.98","0.005","939.07","0.1","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 Li6 N6 P2 -","- C30 H60 Li6 N6 P2 -","- C30 H60 Li6 N6 P2 -","1","0.5","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.0423","0.0343","","","0.0872","0.0968","","","","","","1.104","","","","has coordinates","229654","2020-10-21","18:00:00",""
"7046495","9.662","0.0007","16.212","0.0016","9.875","0.0004","90","0.007","104.96","0.006","90","0.006","1494.4","0.2","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C11 H29 Li N3 P -","- C11 H31 Li N3 P -","- C44 H124 Li4 N12 P4 -","4","1","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.0529","0.0412","","","0.1084","0.1215","","","","","","1.091","","","","has coordinates","229654","2020-10-21","18:00:00",""
"7046496","10.389","0.004","15.52","0.007","16.805","0.005","90","","90","","90","","2709.6","1.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Na O3 -","- C31 H39 Na O3 -","- C124 H156 Na4 O12 -","4","1","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.1346","0.0742","","","0.1459","0.1728","","","","","","1.111","","","","has coordinates,has disorder","229654","2020-10-21","18:00:00",""
"7046497","14.7653","0.0007","23.1399","0.001","25.0656","0.0011","88.199","0.002","85.335","0.002","78.795","0.002","8372","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H115 Cl2 N7 O23 S4 Tb2 -","- C68 H115 Cl2 N7 O23 S4 Tb2 -","- C272 H460 Cl8 N28 O92 S16 Tb8 -","4","2","","Sun, Cheng-Zhe; Zhang, Li-Yi; Wang, Jin-Yun; Chen, Zhong-Ning; Dai, Feng-Rong","Sensitive and selective urinary 1-hydroxypyrene detection by dinuclear terbium-sulfonylcalixarene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8301","8306","10.1039/c8dt01604f","","","0.71073","MoKα","","0.0978","0.0602","","","0.1327","0.1637","","","","","","1.075","","","","has coordinates,has disorder","229666","2020-10-21","18:00:00",""
"7046498","10.0033","0.0008","12.4181","0.0011","15.4775","0.0013","90","","100.349","0.004","90","","1891.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H29 K3 Mo8 O30 S8 Te -","- K3 Mo8 O29 S8 Te -","- K6 Mo16 O58 S16 Te2 -","2","0.5","","Jamie W. Purcell; De-Liang Long; Edward C. Lee; Leroy Cronin; Haralampos N. Miras","Spontaneous formation of a chiral (Mo2O2S2)2±based cluster driven by dimeric {Te2O6}-based templates","Dalton Transactions","2018","47","","6283","6287","10.1039/C8DT00832A","","","0.71073","MoKα","","0.0613","0.0573","","","0.1296","0.1314","","","","","","1.22","","","","has coordinates,has disorder","208054","2020-10-21","18:00:00",""
"7046499","15.2433","0.001","18.1235","0.0012","25.9548","0.0018","107.582","0.004","95.258","0.004","108.882","0.003","6323.3","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- H108 K8 Mo20 O98 S20 Te5 -","- K7 Mo20 O95.3 S20 Te5 -","- K14 Mo40 O190.6 S40 Te10 -","2","1","","Jamie W. Purcell; De-Liang Long; Edward C. Lee; Leroy Cronin; Haralampos N. Miras","Spontaneous formation of a chiral (Mo2O2S2)2±based cluster driven by dimeric {Te2O6}-based templates","Dalton Transactions","2018","47","","6283","6287","10.1039/C8DT00832A","","","0.71073","MoKα","","0.0785","0.056","","","0.1345","0.1492","","","","","","1.032","","","","has coordinates,has disorder","208055","2020-10-21","18:00:00",""
"7046500","13.5009","0.0008","13.9971","0.0008","17.0203","0.0009","80.448","0.002","73.862","0.002","65.595","0.002","2808.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H21 Cu Eu F30 N4 O12 -","- C45 H21 Cu Eu F30 N4 O12 -","- C90 H42 Cu2 Eu2 F60 N8 O24 -","2","1","","Armelao, Lidia; Belli Dell'Amico, Daniela; Bottaro, Gregorio; Bellucci, Luca; Labella, Luca; Marchetti, Fabio; Mattei, Carlo Andrea; Mian, Federica; Pineider, Francesco; Poneti, Giordano; Samaritani, Simona","1D hetero-bimetallic regularly alternated 4f-3d coordination polymers based on N-oxide-4,4'-bipyridine (bipyMO) as a linker: photoluminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8337","8345","10.1039/c8dt00880a","","","0.71073","MoKα","","0.0731","0.0537","","","0.1337","0.1576","","","","","","1.088","","","","has coordinates,has disorder","229671","2020-10-21","18:00:00",""
"7046501","10.101","0.0006","40.7504","0.0015","15.1414","0.001","90","","90","","90","","6232.5","0.6","103","2","103","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H43 Cl4 N14 O13 Pd2 Sm -","- C44 H32 Cl4 N8 O10 Pd2 Sm -","- C176 H128 Cl16 N32 O40 Pd8 Sm4 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","","1.54184","CuKα","","0.1008","0.0889","","","0.1926","0.2009","","","","","","1.177","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00",""
"7046502","10.1709","0.0007","40.82","0.002","15.1189","0.0012","90","","90","","90","","6277","0.7","101.98","0.18","101.98","0.18","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H38 Cl4 Eu N8 O10.5 Pd2 -","- C44 H32 Cl4 Eu N8 O10 Pd2 -","- C176 H128 Cl16 Eu4 N32 O40 Pd8 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","x-ray","1.54184","CuKα","","0.122","0.084","","","0.1563","0.1839","","","","","","0.872","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00",""
"7046503","10.1189","0.0004","40.7335","0.0017","15.0742","0.001","90","","90","","90","","6213.3","0.5","102.23","0.1","102.23","0.1","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C44 H46 Cl4 N8 O14.5 Pd2 Tb -","- C44 H32 Cl4 N8 O10 Pd2 Tb -","- C176 H128 Cl16 N32 O40 Pd8 Tb4 -","4","0.5","","You, Li-Xin; Cui, Lan-Xin; Zhao, Bai-Bei; Xiong, Gang; Ding, Fu; Ren, Bao-Yi; Shi, Zhong-Liang; Dragutan, Ileana; Dragutan, Valerian; Sun, Ya-Guang","Tailoring the structure, pH sensitivity and catalytic performance in Suzuki-Miyaura cross-couplings of Ln/Pd MOFs based on the 1,1'-di(p-carboxybenzyl)-2,2'-diimidazole linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8755","8763","10.1039/c8dt01288a","","x-ray","1.54184","CuKα","","0.1558","0.0987","","","0.172","0.205","","","","","","1.046","","","","has coordinates,has disorder","229518","2020-10-21","18:00:00",""
"7046504","10.8391","0.0008","11.1144","0.0009","11.6293","0.0009","116.61","0.001","91.516","0.001","103.224","0.001","1205.92","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 F4 N5 O4 Zn -","- C26 H15 F4 N5 O4 Zn -","- C52 H30 F8 N10 O8 Zn2 -","2","1","","Wang, Zhong-Jie; Ge, Fa-Yuan; Sun, Guo-Hao; Zheng, He-Gen","Two MOFs as dual-responsive photoluminescence sensors for metal and inorganic ion detection.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8257","8263","10.1039/c8dt01363b","","","0.71073","MoKα","","0.041","0.0341","","","0.0794","0.0833","","","","","","1.039","","","","has coordinates","229670","2020-10-21","18:00:00",""
"7046505","17.7736","0.0018","17.8696","0.0018","18.3763","0.0019","90","","98.762","0.001","90","","5768.3","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cd F4 N6 O6 -","- C29 H24 Cd F4 N6 O6 -","- C232 H192 Cd8 F32 N48 O48 -","8","1","","Wang, Zhong-Jie; Ge, Fa-Yuan; Sun, Guo-Hao; Zheng, He-Gen","Two MOFs as dual-responsive photoluminescence sensors for metal and inorganic ion detection.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8257","8263","10.1039/c8dt01363b","","","0.71073","MoKα","","0.0497","0.0383","","","0.0858","0.0907","","","","","","1.079","","","","has coordinates,has disorder","229670","2020-10-21","18:00:00",""
"7046506","15.822","0.003","17.332","0.003","19.086","0.004","98.06","0.005","92.328","0.006","104.762","0.005","4995.2","1.7","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C156 H160 F12 N12 O28 Ru8 S4 -","- C156 H160 F12 N12 O28 Ru8 S4 -","- C156 H160 F12 N12 O28 Ru8 S4 -","1","0.5","","Adeyemo, Aderonke Ajibola; Shettar, Abhijith; Bhat, Imtiyaz Ahmad; Kondaiah, Paturu; Mukherjee, Partha Sarathi","Coordination-driven self-assembly of ruthenium(ii) architectures: synthesis, characterization and cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8466","8475","10.1039/c8dt00962g","","","0.71073","MoKα","","0.1207","0.0825","","","0.2315","0.2576","","","","","","1.185","","","","has coordinates","229673","2020-10-21","18:00:00",""
"7046507","17.4215","0.0012","14.7742","0.0009","19.0672","0.0015","90","","90.882","0.002","90","","4907.1","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Cl N Ni O3 P2 -","- C44 H46 Cl N Ni O3 P2 -","- C176 H184 Cl4 N4 Ni4 O12 P8 -","4","1","","Hong, Changwen; Sui, Xuelin; Li, Ziqian; Pang, Wenmin; Chen, Min","Phosphine phosphonic amide nickel catalyzed ethylene polymerization and copolymerization with polar monomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8264","8267","10.1039/c8dt01018h","","","1.54178","CuKα","","0.1399","0.068","","","0.1038","0.1175","","","","","","1.054","","","","has coordinates,has disorder","229665","2020-10-21","18:00:00",""
"7046508","11.2291","0.0009","15.8955","0.0012","17.3816","0.0013","90","","90","","90","","3102.5","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Br2 N Ni O P2 -","- C30 H33 Br2 N Ni O P2 -","- C120 H132 Br8 N4 Ni4 O4 P8 -","4","1","","Hong, Changwen; Sui, Xuelin; Li, Ziqian; Pang, Wenmin; Chen, Min","Phosphine phosphonic amide nickel catalyzed ethylene polymerization and copolymerization with polar monomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8264","8267","10.1039/c8dt01018h","","","0.71073","MoKα","","0.083","0.0526","","","0.1357","0.1553","","","","","","1.094","","","","has coordinates,has disorder","229665","2020-10-21","18:00:00",""
"7046509","17.7789","0.0014","11.35","0.0009","16.4332","0.0013","90","","95.61","0.001","90","","3300.2","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl N Ni O P2 -","- C36 H38 Cl N Ni O P2 -","- C144 H152 Cl4 N4 Ni4 O4 P8 -","4","1","","Hong, Changwen; Sui, Xuelin; Li, Ziqian; Pang, Wenmin; Chen, Min","Phosphine phosphonic amide nickel catalyzed ethylene polymerization and copolymerization with polar monomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8264","8267","10.1039/c8dt01018h","","","0.71073","MoKα","","0.0923","0.0496","","","0.1264","0.1521","","","","","","1.034","","","","has coordinates","229665","2020-10-21","18:00:00",""
"7046510","12.1799","0.0018","17.818","0.003","16.549","0.002","90","","107.157","0.0019","90","","3431.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 Co N6 O6 -","- C42 H26 Co N6 O6 -","- C168 H104 Co4 N24 O24 -","4","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.0721","0.0489","","","0.1426","0.1656","","","","","","1.163","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046511","10.681","0.003","10.758","0.002","14.402","0.003","94.847","0.004","93.595","0.004","114.278","0.004","1494.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 N6 O4 Zn -","- C40 H20 N6 O4 Zn -","- C80 H40 N12 O8 Zn2 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.0547","0.0441","","","0.1135","0.1203","","","","","","0.849","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046512","10.334","0.004","11.306","0.004","14.456","0.006","97.909","0.007","91.932","0.006","92.549","0.006","1669.9","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C88 H56 Co2 N12 O8 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.2426","0.0887","","","0.1894","0.2648","","","","","","1.092","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046513","10.0343","0.0017","11.153","0.0018","17.35","0.003","97.659","0.003","93.997","0.003","110.028","0.003","1794.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H27 Co N7 O6 -","- C44 H27 Co N7 O6 -","- C88 H54 Co2 N14 O12 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.0939","0.0723","","","0.1647","0.1786","","","","","","1.03","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046514","12.72","0.003","15.676","0.003","16.5","0.003","73.155","0.003","74.382","0.003","76.188","0.003","2986.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.25 H45 Co N13 O8.25 -","- C70.25 H45 Co N13 O8.25 -","- C140.5 H90 Co2 N26 O16.5 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.08","0.0627","","","0.1638","0.1754","","","","","","1.085","","","","has coordinates,has disorder","229893","2020-10-21","18:00:00",""
"7046515","13.525","0.006","13.06","0.006","17.173","0.008","90","","102.295","0.007","90","","2964","2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H57 Co2 N15 O21 -","- C55 H57 Co2 N15 O21 -","- C110 H114 Co4 N30 O42 -","2","1","","Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki","Cobalt complexes with redox-active anthraquinone-type ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7804","7811","10.1039/c8dt00586a","","","0.71073","MoKα","","0.153","0.1034","","","0.2405","0.2663","","","","","","1.294","","","","has coordinates","229893","2020-10-21","18:00:00",""
"7046516","12.7217","0.0003","10.2318","0.0003","17.5246","0.0004","90","","102.488","0.002","90","","2227.14","0.1","101.8","","101.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br N3 Pd -","- C24 H26 Br N3 Pd -","- C96 H104 Br4 N12 Pd4 -","4","1","","Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh","A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7830","7838","10.1039/c8dt01618f","","","0.7107","MoKα","","0.0412","0.0344","","","0.0725","0.0752","","","","","","1.042","","","","has coordinates","229883","2020-10-21","18:00:00",""
"7046517","12.6065","0.0006","10.0844","0.0004","18.474","0.0009","90","","98.288","0.005","90","","2324.05","0.19","113.8","","113.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Br N3 Pd -","- C26 H26 Br N3 Pd -","- C104 H104 Br4 N12 Pd4 -","4","1","","Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh","A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7830","7838","10.1039/c8dt01618f","","","0.7107","MoKα","","0.0511","0.0405","","","0.0884","0.0941","","","","","","1.023","","","","has coordinates","229883","2020-10-21","18:00:00",""
"7046518","10.933","0.0005","23.8367","0.001","18.137","0.0007","90","","98.263","0.004","90","","4677.6","0.3","99.9","0.2","99.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Br N3 Pd -","- C25 H28 Br N3 Pd -","- C200 H224 Br8 N24 Pd8 -","8","2","","Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh","A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7830","7838","10.1039/c8dt01618f","","x-ray","0.71073","MoKα","","0.0594","0.0414","","","0.0725","0.0796","","","","","","1.045","","","","has coordinates","229883","2020-10-21","18:00:00",""
"7046519","32.35","0.0003","8.6596","0.0001","25.0145","0.0002","90","","94.521","0.001","90","","6985.71","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Br2 N5 Pd -","- C32 H39 Br2 N5 Pd -","- C256 H312 Br16 N40 Pd8 -","8","2","","Yan, Xuechao; Feng, Rui; Yan, Chunhui; Lei, Peng; Guo, Shuai; Huynh, Han Vinh","A palladacyclic N-heterocyclic carbene system used to probe the donating abilities of monoanionic chelators.","Dalton transactions (Cambridge, England : 2003)","2018","47","23","7830","7838","10.1039/c8dt01618f","","x-ray","1.54184","CuKα","","0.0714","0.0656","","","0.1747","0.1791","","","","","","1.063","","","","has coordinates,has disorder","229883","2020-10-21","18:00:00",""
"7046520","9.9624","0.001","12.3946","0.001","15.458","0.002","98.93","0.02","90.23","0.02","110.9","0.02","1757.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H33 Cu I N P2 -","- C43 H33 Cu I N P2 -","- C86 H66 Cu2 I2 N2 P4 -","2","1","","Liu, Li-Ping; Li, Qian; Xiang, Song-Po; Liu, Li; Zhong, Xin-Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa-Bao; Zhu, Nian-Yong; Wong, Wai-Yeung; Qin, Hai-Mei; Wang, Lei","Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9294","9302","10.1039/c7dt04528j","","","0.71073","MoKα","","0.0346","0.026","","","0.0592","0.0624","","","","","","1.036","","","","has coordinates","229192","2020-10-21","18:00:00",""
"7046521","11.931","0.002","16.962","0.003","19.244","0.004","90","","90","","90","","3894.5","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 Cl3 Cu N P2 -","- C44 H35 Cl3 Cu N P2 -","- C176 H140 Cl12 Cu4 N4 P8 -","4","1","","Liu, Li-Ping; Li, Qian; Xiang, Song-Po; Liu, Li; Zhong, Xin-Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa-Bao; Zhu, Nian-Yong; Wong, Wai-Yeung; Qin, Hai-Mei; Wang, Lei","Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9294","9302","10.1039/c7dt04528j","","","0.71073","MoKα","","0.0755","0.0586","","","0.1546","0.1644","","","","","","1.063","","","","has coordinates","229192","2020-10-21","18:00:00",""
"7046522","12.037","0.002","17.027","0.003","19.224","0.004","90","","90","","90","","3940","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 Br Cl2 Cu N P2 -","- C44 H35 Br Cl2 Cu N P2 -","- C176 H140 Br4 Cl8 Cu4 N4 P8 -","4","1","","Liu, Li-Ping; Li, Qian; Xiang, Song-Po; Liu, Li; Zhong, Xin-Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa-Bao; Zhu, Nian-Yong; Wong, Wai-Yeung; Qin, Hai-Mei; Wang, Lei","Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9294","9302","10.1039/c7dt04528j","","","0.71073","MoKα","","0.0732","0.0455","","","0.0922","0.1014","","","","","","1.04","","","","has coordinates,has disorder","229192","2020-10-21","18:00:00",""
"7046523","17.0661","0.0014","20.1979","0.0015","17.4936","0.0014","90","","104.535","0.002","90","","5837","0.8","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cu F30 Gd N5 O12 -","- C46 H27 Cu F30 Gd N5 O12 -","- C184 H108 Cu4 F120 Gd4 N20 O48 -","4","1","","Sun, Juan; Yang, Meng; Xi, Lu; Ma, Yue; Li, Licun","Magnetic relaxation in [Ln(hfac)<sub>4</sub>]<sup>-</sup> anions with [Cu(hfac)-radical]<sub>n</sub><sup>n+</sup> cation chains as counterions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8142","8148","10.1039/c8dt01651h","","","0.71073","MoKα","","0.0628","0.0425","","","0.0969","0.1073","","","","","","1.015","","","","has coordinates","229216","2020-10-21","18:00:00",""
"7046524","17.073","0.002","20.108","0.002","17.497","0.0019","90","","104.351","0.002","90","","5819.3","1.1","113","","113","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cu Dy F30 N5 O12 -","- C46 H27 Cu Dy F30 N5 O12 -","- C184 H108 Cu4 Dy4 F120 N20 O48 -","4","1","","Sun, Juan; Yang, Meng; Xi, Lu; Ma, Yue; Li, Licun","Magnetic relaxation in [Ln(hfac)<sub>4</sub>]<sup>-</sup> anions with [Cu(hfac)-radical]<sub>n</sub><sup>n+</sup> cation chains as counterions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8142","8148","10.1039/c8dt01651h","","","0.71073","MoKα","","0.0533","0.0411","","","0.1141","0.1208","","","","","","1.041","","","","has coordinates","229216","2020-10-21","18:00:00",""
"7046525","8.2509","0.0004","8.2509","0.0004","20.346","0.003","90","","90","","90","","1385.1","0.2","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C5 H11 K O -","- C5 H11 K O -","- C40 H88 K8 O8 -","8","1","","Kaiser, Maximillian; Klett, Jan","The hetero-cubane structures of the heavy alkali metal tert-amyloxides [MOCMe<sub>2</sub>Et]<sub>4</sub> (M = K, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12582","12586","10.1039/c8dt01545g","","","0.71073","MoKα","","0.0228","0.0222","","","0.0568","0.0571","","","","","","1.128","","","","has coordinates","229926","2020-10-21","18:00:00",""
"7046526","21.876","0.004","8.1807","0.0017","16.896","0.003","90","","111.919","0.003","90","","2805.1","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 K O -","- C5 H11 K O -","- C80 H176 K16 O16 -","16","4","","Kaiser, Maximillian; Klett, Jan","The hetero-cubane structures of the heavy alkali metal tert-amyloxides [MOCMe<sub>2</sub>Et]<sub>4</sub> (M = K, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12582","12586","10.1039/c8dt01545g","","","0.71073","MoKα","","0.1173","0.072","","","0.1446","0.1596","","","","","","1.159","","","","has coordinates,has disorder","229926","2020-10-21","18:00:00",""
"7046527","19.114","0.003","8.8747","0.0015","20.401","0.003","90","","117.105","0.004","90","","3080.6","0.8","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C5 H11 Cs O -","- C5 H11 Cs O -","- C80 H176 Cs16 O16 -","16","4","","Kaiser, Maximillian; Klett, Jan","The hetero-cubane structures of the heavy alkali metal tert-amyloxides [MOCMe<sub>2</sub>Et]<sub>4</sub> (M = K, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12582","12586","10.1039/c8dt01545g","","","0.71073","MoKα","","0.0965","0.0695","","","0.209","0.2364","","","","","","1.151","","","","has coordinates,has disorder","229926","2020-10-21","18:00:00",""
"7046528","19.509","0.016","8.686","0.006","20.161","0.017","90","","116.48","0.02","90","","3058","4","223","2","223","2","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C5 H11 O Rb -","- C5 H11 O Rb -","- C80 H176 O16 Rb16 -","16","4","","Kaiser, Maximillian; Klett, Jan","The hetero-cubane structures of the heavy alkali metal tert-amyloxides [MOCMe<sub>2</sub>Et]<sub>4</sub> (M = K, Rb, Cs).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12582","12586","10.1039/c8dt01545g","","","0.71073","MoKα","","0.1737","0.0406","","","0.0818","0.1045","","","","","","0.715","","","","has coordinates,has disorder","229926","2020-10-21","18:00:00",""
"7046529","6.792","0.002","10.823","0.004","13.823","0.005","86.128","0.012","78.578","0.012","80.403","0.012","981.4","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","uranyl Deferiprone","","","- C14 H7 N2 O11 U -","- C14 H10 N2 O11 U -","- C28 H20 N4 O22 U2 -","2","1","","Wang, Xiaomei; Ji, Guoxun; Shi, Cen; Diwu, Juan; Chen, Lanhua; Gui, Daxiang; Wan, Jianmei; Silver, Mark A.; Wang, Jianqiang; Wang, Shuao","Structural and thermodynamic stability of uranyl-deferiprone complexes and the removal efficacy of U(vi) at the cellular level.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8764","8770","10.1039/c8dt01738g","","","0.71073","MoKα","","0.0251","0.0226","","","0.0626","0.0639","","","","","","0.995","","","","has coordinates","229520","2020-10-21","18:00:00",""
"7046530","13.1597","0.0009","12.8654","0.0009","7.1664","0.0005","90","","100.323","0.002","90","","1193.67","0.14","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl Eu O5 -","- C12 H8 Cl Eu O5 -","- C48 H32 Cl4 Eu4 O20 -","4","1","","Shen, Mei-Lin; Xu, Ling; Liu, Bing; Jiao, Huan; Kwon, Young-Uk","A thermosensitive fluorescent Eu-based metal-organic framework and its polyether sulfone composite film as a thermal sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8330","8336","10.1039/c8dt01690a","","","0.71073","MoKα","","0.0223","0.0217","","","0.0504","0.0509","","","","","","1.052","","","","has coordinates","229663","2020-10-21","18:00:00",""
"7046531","10.933","0.002","13.69","0.003","11.946","0.002","90","","95.49","0.03","90","","1779.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl Cu N4 -","- C20 H15 Cl Cu N4 -","- C80 H60 Cl4 Cu4 N16 -","4","1","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","0.71073","synchrotron","","0.1041","0.0494","","","0.1011","0.1152","","","","","","0.912","","","","has coordinates,has disorder","229656","2020-10-21","18:00:00",""
"7046532","8.983","0.0018","12.124","0.002","12.321","0.003","106.64","0.03","94.63","0.03","108.42","0.03","1198","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Cl Cu N5 -","- C25 H24 Cl Cu N5 -","- C50 H48 Cl2 Cu2 N10 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","0.71073","MoKα","","0.0409","0.0347","","","0.1138","0.1329","","","","","","1.171","","","","has coordinates","229656","2020-10-21","18:00:00",""
"7046533","9.465","0.0019","14.559","0.003","17.362","0.004","90","","95.38","0.03","90","","2382","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 Cu2 N3 O -","- C25 H26 Cl2 Cu2 N3 O -","- C100 H104 Cl8 Cu8 N12 O4 -","4","1","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","0.7","synchrotron","","0.0393","0.035","","","0.1086","0.1106","","","","","","1.095","","","","has coordinates","229656","2020-10-21","18:00:00",""
"7046534","23.704","0.005","14.101","0.003","27.437","0.006","90","","108.2","0.03","90","","8712","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H45 Cl Cu N9 -","- C48 H45 Cl Cu N9 -","- C384 H360 Cl8 Cu8 N72 -","8","1","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","0.71073","synchrotron","","0.0924","0.0859","","","0.2237","0.2273","","","","","","1.165","","","","has coordinates,has disorder","229656","2020-10-21","18:00:00",""
"7046535","10.0389","0.0003","11.3316","0.0003","16.6903","0.0004","90","","90","","90","","1898.64","0.09","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H12 Cl2 Cu2 N3 -","- C18 H12 Cl2 Cu2 N3 -","- C72 H48 Cl8 Cu8 N12 -","4","0.5","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","1.54178","CuKα","","0.1121","0.0982","","","0.2453","0.2522","","","","","","1.823","","","","has coordinates","229656","2020-10-21","18:00:00",""
"7046536","11.435","0.004","24.695","0.009","17.511","0.006","90","","108.053","0.011","90","","4701","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cl4 Cu4 N8 -","- C46 H42 Cl4 Cu4 N8 -","- C184 H168 Cl16 Cu16 N32 -","4","1","","Kwon, Hyunchul; Lee, Eunsung","Static and dynamic coordination behaviours of copper(i) ions in hexa(2-pyridyl)benzene ligand systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8448","8455","10.1039/c8dt01424h","","","0.71073","MoKα","","0.0725","0.0505","","","0.1361","0.1497","","","","","","1.073","","","","has coordinates","229656","2020-10-21","18:00:00",""
"7046537","7.95","0.0002","7.95","0.0002","19.745","0.0006","90","","90","","90","","1247.93","0.06","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[(mu-2-aminopyridine-3-carboxylato-kN:kO)zinc(II)]","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; García, Jose A; San Sebastián, Eider; Seco, Jose M.; Cepeda, Javier","Chiral coordination polymers based on d<sup>10</sup> metals and 2-aminonicotinate with blue fluorescent/green phosphorescent anisotropic emissions.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8746","8754","10.1039/c8dt01159a","","","1.5418","CuKα","","0.0406","0.0393","","","0.1074","0.109","","","","","","1.152","","","","has coordinates","229516","2020-10-21","18:00:00",""
"7046538","9.374","0.007","13.721","0.009","13.498","0.01","90","","96.29","0.02","90","","1726","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 I4 O4 Pb4 -","- C4 H8 I4 O4 Pb4 -","- C16 H32 I16 O16 Pb16 -","4","1","","Xiao, Hong; Zhou, Jian; Hu, Feilong","Two new oxyiodoplumbates: the unique 3-D hybrid oxyiodoplumbate based on neutral 2-D [Pb<sub>2</sub>I<sub>4</sub>]<sub>n</sub> layers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8442","8447","10.1039/c8dt01927d","","","0.71073","MoKα","","0.0379","0.0252","","","0.0532","0.0585","","","","","","1.049","","","","has coordinates","229657","2020-10-21","18:00:00",""
"7046539","34.4273","0.0012","11.4107","0.0004","26.1316","0.0009","90","","128.229","0.0008","90","","8064","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H68 Cs6 Fe3 N18 O55 S12 -","- C24 H68 Cs6 Fe3 N18 O55 S12 -","- C96 H272 Cs24 Fe12 N72 O220 S48 -","4","0.5","","Moneo-Corcuera, Andrea; Nieto-Castro, David; Sáenz de Pipaón, Cristina; Gómez, Verónica; Maldonado-Illescas, Pilar; Galan-Mascaros, Jose Ramon","Tuning the spin crossover behavior of the polyanion [(H<sub>2</sub>O)<sub>6</sub>Fe<sub>3</sub>(μ-L)<sub>6</sub>]<sup>6-</sup>: the case of the cesium salt.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11895","11902","10.1039/c8dt01339j","","","0.71073","MoKα","","0.085","0.0684","","","0.1989","0.2144","","","","","","1.028","","","","has coordinates,has disorder","229980","2020-10-21","18:00:00",""
"7046540","29.842","0.003","14.8679","0.0011","24.7389","0.0018","90","","116.734","0.002","90","","9803","1.4","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Cl4 N8 Ni4 O8 -","- C28 H44 Cl4 N8 Ni4 O8 -","- C224 H352 Cl32 N64 Ni32 O64 -","8","1","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.0446","0.0284","","","0.065","0.07","","","","","","1.005","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7046541","16.4251","0.0008","17.2816","0.0013","17.0414","0.0017","90","","90","","90","","4837.2","0.6","294","2","294","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C24 H28 Br4 Cl4 N4 Ni4 O8 -","- C24 H28 Br4 Cl4 N4 Ni4 O8 -","- C96 H112 Br16 Cl16 N16 Ni16 O32 -","4","0.5","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.0983","0.062","","","0.1474","0.1693","","","","","","0.999","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7046542","16.899","0.003","16.899","0.003","32.661","0.009","90","","90","","90","","9327","3","277","2","277","2","","","","","","","","7","I 41/a c d","-I 4bd 2c","142","","","","- C32 H44 Br4 Cl4 N4 Ni4 O8 -","- C32 H44 Br4 Cl4 N4 Ni4 O8 -","- C256 H352 Br32 Cl32 N32 Ni32 O64 -","8","","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.0962","0.0808","","","0.2849","0.3057","","","","","","1.154","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7046543","12.204","0.003","17.407","0.004","24.119","0.005","90","","94.966","0.006","90","","5104","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br8 N4 Ni4 O8 -","- C28 H36 Br8 N4 Ni4 O8 -","- C112 H144 Br32 N16 Ni16 O32 -","4","1","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.1357","0.1003","","","0.2211","0.2347","","","","","","1.038","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7046544","16.035","0.002","16.5596","0.0019","18.461","0.002","90","","111.804","0.004","90","","4551.3","0.9","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cl8 N4 Ni4 O8 -","- C32 H44 Cl8 N4 Ni4 O8 -","- C128 H176 Cl32 N16 Ni16 O32 -","4","1","","Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping","Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models","Dalton Transactions","2018","","","","","10.1039/C8DT02080A","","","0.71073","MoKα","","0.1546","0.0981","","","0.2187","0.2499","","","","","","1.038","","","","has coordinates","208117","2020-10-21","18:00:00",""
"7046545","24.8102","0.0015","33.4318","0.0019","18.3552","0.001","90","","90","","90","","15224.7","1.5","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C117 H164 Cu6 N16 O48 -","- C69 H48 Cu6 O30 -","- C276 H192 Cu24 O120 -","4","0.5","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","0.71073","MoKα","","0.1345","0.0681","","","0.1234","0.137","","","","","","1.013","","","","has coordinates","229313","2020-10-21","18:00:00",""
"7046546","18.4999","0.0003","18.4999","0.0003","24.0168","0.0003","90","","90","","120","","7118.44","0.19","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H53 Cu2 N5 O16 -","- C23 H16 Cu2 O10 -","- C138 H96 Cu12 O60 -","6","0.25","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","1.54184","CuKα","","0.0537","0.0398","","","0.1313","0.1368","","","","","","1.032","","","","has coordinates","229313","2020-10-21","18:00:00",""
"7046547","18.4882","0.0004","18.4882","0.0004","23.4316","0.0011","90","","90","","120","","6936.2","0.4","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H51 Cu2 N5 O15 -","- C23 H16 Cu2 O10 -","- C138 H96 Cu12 O60 -","6","0.25","","He, Minghui; Wang, Yao; Gao, Xiaoxia; Li, Saidan; He, Yabing","Three ligand-originated MOF isomers: the positional effect of the methyl group on structures and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8983","8991","10.1039/c8dt01017j","","","0.71073","MoKα","","0.0885","0.0532","","","0.1566","0.167","","","","","","1.042","","","","has coordinates,has disorder","229313","2020-10-21","18:00:00",""
"7046548","9.6794","0.0005","20.3019","0.0012","18.3009","0.0011","90","","97.346","0.002","90","","3566.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 O P Si U -","- C36 H58 O P Si U -","- C144 H232 O4 P4 Si4 U4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Kelley, Steven P.; Walensky, Justin R.","Four-electron reduction chemistry using a uranium(iii) phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8189","8192","10.1039/c8dt01406j","","","0.71073","MoKα","","0.0425","0.0282","","","0.0465","0.0505","","","","","","1.094","","","","has coordinates","229664","2020-10-21","18:00:00",""
"7046549","18.8226","0.0009","23.0418","0.001","19.003","0.0009","90","","90","","90","","8241.7","0.7","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C80.5 H117 N6 U3 -","- C80.5 H117 N6 U3 -","- C322 H468 N24 U12 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Kelley, Steven P.; Walensky, Justin R.","Four-electron reduction chemistry using a uranium(iii) phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8189","8192","10.1039/c8dt01406j","","","0.71073","MoKα","","0.0593","0.0388","","","0.0714","0.0793","","","","","","1.009","","","","has coordinates,has disorder","229664","2020-10-21","18:00:00",""
"7046550","13.2573","0.0014","14.8359","0.0016","15.4478","0.0017","90","","90","","90","","3038.3","0.6","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 N2 Si2 U -","- C26 H48 N2 Si2 U -","- C104 H192 N8 Si8 U4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Kelley, Steven P.; Walensky, Justin R.","Four-electron reduction chemistry using a uranium(iii) phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8189","8192","10.1039/c8dt01406j","","","0.71073","MoKα","","0.0268","0.025","","","0.0628","0.0636","","","","","","1.069","","","","has coordinates,has disorder","229664","2020-10-21","18:00:00",""
"7046551","5.85894","0.00019","20.2345","0.0005","4.51467","0.00016","90","","103.645","0.003","90","","520.12","0.03","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C5 H O4 Sn -","- C5 H O4 Sn -","- C20 H4 O16 Sn4 -","4","0.5","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54184","CuKα","","0.0223","0.0221","","","0.0586","0.0587","","","","","","1.127","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046552","11.6815","0.0004","16.1386","0.0003","7.5176","0.0002","90","","130.623","0.005","90","","1075.7","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 O7 Sn2 -","- C9 H3 O7 Sn2 -","- C36 H12 O28 Sn8 -","4","0.5","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54184","CuKα","","0.0351","0.0346","","","0.1017","0.1025","","","","","","1.056","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046553","11.9484","0.0001","11.9484","0.0001","8.7949","0.0001","90","","90","","120","","1087.38","0.018","150","2","150","2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C9 H9 O6 Sn1.5 -","- C9 H9 O6 Sn1.5 -","- C36 H36 O24 Sn6 -","4","0.333333","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54184","CuKα","","0.0286","0.0285","","","0.0729","0.0729","","","","","","1.226","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046554","17.9805","0.0002","8.1011","0.0001","5.3552","0.0001","90","","90","","90","","780.048","0.019","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C7 H3 N O5 Sn -","- C7 H3 N O5 Sn -","- C28 H12 N4 O20 Sn4 -","4","1","","de Lima, G. M.; Walton, R. I.; Clarkson, G. J.; Bitzer, R. S.; Ardisson, J. D.","Air and moisture stable covalently-bonded tin(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8013","8022","10.1039/c8dt01370e","","x-ray","1.54178","CuKα","","0.0363","0.0356","","","0.0915","0.0925","","","","","","1.111","","","","has coordinates","229228","2020-10-21","18:00:00",""
"7046555","11.6128","0.0017","11.9186","0.0018","15.044","0.002","94.439","0.005","108.206","0.004","111.791","0.004","1792","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H46 B2 F30 N2 O2 P2 -","- C82 H46 B2 F30 N2 O2 P2 -","- C82 H46 B2 F30 N2 O2 P2 -","1","0.5","","Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.","Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8933","8939","10.1039/c8dt01717d","","","0.71073","MoKα","","0.0855","0.0434","","","0.0903","0.1055","","","","","","1.019","","","","has coordinates","229328","2020-10-21","18:00:00",""
"7046556","11.6746","0.0012","17.871","0.002","20.649","0.002","90","","90.633","0.005","90","","4307.9","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H31 B F15 N O P -","- C49 H32 B F15 N O P -","- C196 H128 B4 F60 N4 O4 P4 -","4","1","","Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.","Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8933","8939","10.1039/c8dt01717d","","","0.71073","MoKα","","0.0875","0.0472","","","0.0958","0.1115","","","","","","1.009","","","","has coordinates","229328","2020-10-21","18:00:00",""
"7046557","24.839","0.005","10.496","0.002","15.154","0.003","90","","90","","90","","3950.8","1.3","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C46 H29 B F12 N O P -","- C46 H29 B F12 N O P -","- C184 H116 B4 F48 N4 O4 P4 -","4","1","","Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.","Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8933","8939","10.1039/c8dt01717d","","","0.71073","MoKα","","0.0719","0.0415","","","0.0786","0.0875","","","","","","1.048","","","","has coordinates","229328","2020-10-21","18:00:00",""
"7046558","11.6657","0.0007","17.8082","0.0009","19.8218","0.001","90","","93.482","0.003","90","","4110.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 B F15 N O P -","- C46 H26 B F15 N O P -","- C184 H104 B4 F60 N4 O4 P4 -","4","1","","Szkop, Kevin M.; Zhu, Diya; Longobardi, Lauren E.; Heck, Julian; Stephan, Douglas W.","Interception of intermediates in phosphine oxidation by mesityl nitrile-N-oxide using frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8933","8939","10.1039/c8dt01717d","","","0.71073","MoKα","","0.1346","0.0568","","","0.0891","0.1064","","","","","","1","","","","has coordinates","229328","2020-10-21","18:00:00",""
"7046559","12.7384","0.0011","13.8895","0.0008","15.5231","0.0014","115.032","0.007","103.585","0.008","95.731","0.006","2356.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 O16 P2 Ti4 -","- C36 H56 O16 P2 Ti4 -","- C72 H112 O32 P4 Ti8 -","2","1","","Lv, Hai-Ting; Li, Hua-Min; Zou, Guo-Dong; Cui, Ying; Huang, Yang; Fan, Yang","Titanium-oxo clusters functionalized with catecholate-type ligands: modulating the optical properties through charge-transfer transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8158","8163","10.1039/c8dt01844h","","","0.71073","MoKα","","0.1196","0.0735","","","0.1877","0.2272","","","","","","1.022","","","","has coordinates,has disorder","229211","2020-10-21","18:00:00",""
"7046560","15.4222","0.0003","26.1161","0.0006","12.7525","0.0003","90","","102.683","0.002","90","","5011","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 O16 P2 Ti4 -","- C40 H58 O16 P2 Ti4 -","- C160 H232 O64 P8 Ti16 -","4","1","","Lv, Hai-Ting; Li, Hua-Min; Zou, Guo-Dong; Cui, Ying; Huang, Yang; Fan, Yang","Titanium-oxo clusters functionalized with catecholate-type ligands: modulating the optical properties through charge-transfer transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8158","8163","10.1039/c8dt01844h","","","0.71073","MoKα","","0.0974","0.059","","","0.1461","0.1718","","","","","","1.023","","","","has coordinates,has disorder","229211","2020-10-21","18:00:00",""
"7046561","14.5622","0.0009","19.8886","0.0008","14.7162","0.0009","90","","110.627","0.007","90","","3988.9","0.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 N O12 P Ti3 -","- C30 H50 N O12 P Ti3 -","- C120 H200 N4 O48 P4 Ti12 -","4","1","","Lv, Hai-Ting; Li, Hua-Min; Zou, Guo-Dong; Cui, Ying; Huang, Yang; Fan, Yang","Titanium-oxo clusters functionalized with catecholate-type ligands: modulating the optical properties through charge-transfer transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8158","8163","10.1039/c8dt01844h","","","0.71073","MoKα","","0.1192","0.0619","","","0.1247","0.1548","","","","","","1.022","","","","has coordinates","229211","2020-10-21","18:00:00",""
"7046562","14.017","0.0006","15.694","0.0008","17.5353","0.0008","90","","97.147","0.005","90","","3827.5","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 N O12 P Ti3 -","- C29 H44 N O12 P Ti3 -","- C116 H176 N4 O48 P4 Ti12 -","4","1","","Lv, Hai-Ting; Li, Hua-Min; Zou, Guo-Dong; Cui, Ying; Huang, Yang; Fan, Yang","Titanium-oxo clusters functionalized with catecholate-type ligands: modulating the optical properties through charge-transfer transitions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8158","8163","10.1039/c8dt01844h","","","0.71073","MoKα","","0.099","0.0599","","","0.1622","0.1955","","","","","","1.116","","","","has coordinates,has disorder","229211","2020-10-21","18:00:00",""
"7046563","21.1283","0.0008","15.3003","0.0005","23.5487","0.0008","90","","104.996","0.002","90","","7353.3","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H73 B F4 Fe2 N5 O3 P2 -","- C62 H73 B F4 Fe2 N5 O3 P2 -","- C248 H292 B4 F16 Fe8 N20 O12 P8 -","4","1","","Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11812","11819","10.1039/c8dt01761a","","","1.54178","CuKα","","0.1087","0.0908","","","0.1833","0.1917","","","","","","1.138","","","","has coordinates,has disorder","229978","2020-10-21","18:00:00",""
"7046564","7.314","0.002","13.917","0.004","14.263","0.004","119.081","0.003","90.263","0.003","93.646","0.004","1265.2","0.6","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Fe N2 O2 P2 -","- C6 H18 Fe N2 O2 P2 -","- C24 H72 Fe4 N8 O8 P8 -","4","2","","Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11812","11819","10.1039/c8dt01761a","","","0.71073","MoKα","","0.0513","0.0379","","","0.1002","0.1058","","","","","","0.999","","","","has coordinates,has disorder","229978","2020-10-21","18:00:00",""
"7046565","12.257","0.003","18.825","0.004","14.403","0.003","90","","106.316","0.002","90","","3189.5","1.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Fe N P2 -","- C37 H39 Fe N P2 -","- C148 H156 Fe4 N4 P8 -","4","1","","Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11812","11819","10.1039/c8dt01761a","","","0.71073","MoKα","","0.0643","0.0416","","","0.0911","0.1064","","","","","","1.022","","","","has coordinates","229978","2020-10-21","18:00:00",""
"7046566","13.643","0.007","14.261","0.008","14.533","0.007","91.49","0.03","98.57","0.02","91.66","0.03","2794","3","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C55 H59 B Cl4 F4 Fe2 N5 O2 P2 -","- C55 H59 B Cl4 F4 Fe2 N5 O2 P2 -","- C110 H118 B2 Cl8 F8 Fe4 N10 O4 P4 -","2","1","","Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11812","11819","10.1039/c8dt01761a","","","1.54184","CuKα","","0.0813","0.0756","","","0.1766","0.1826","","","","","","1.07","","","","has coordinates","229978","2020-10-21","18:00:00",""
"7046567","18.1733","0.0014","18.5346","0.0014","20.2827","0.0015","103.179","0.002","113.672","0.002","106.712","0.002","5514.3","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C114.4 H123.8 Fe4 N5 O2.85 P6 -","- C114.4 H123.8 Fe4 N5 O2.85 P6 -","- C228.8 H247.6 Fe8 N10 O5.7 P12 -","2","1","","Ghosh, Pokhraj; Quiroz, Manuel; Pulukkody, Randara; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.","Bridging cyanides from cyanoiron metalloligands to redox-active dinitrosyl iron units.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11812","11819","10.1039/c8dt01761a","","","1.54178","CuKα","","0.1074","0.0702","","","0.1184","0.1323","","","","","","1.057","","","","has coordinates","229978","2020-10-21","18:00:00",""
"7046568","9.8233","0.0008","11.1006","0.0013","13.2788","0.0012","67.74","0.01","78.409","0.008","70.095","0.009","1255.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23.5 Eu N2.5 O13 -","- C24 H23.5 Eu N2.5 O13 -","- C48 H47 Eu2 N5 O26 -","2","1","","Zhao, Fei; Guo, Xiao-Yu; Dong, Zhen-Peng; Liu, Zhi-Liang; Wang, Yan-Qin","3D Ln<sup>III</sup>-MOFs: slow magnetic relaxation and highly sensitive luminescence detection of Fe<sup>3+</sup> and ketones.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8972","8982","10.1039/c8dt01034j","","","1.54184","CuKα","","0.1131","0.0855","","","0.2135","0.245","","","","","","1.034","","","","has coordinates,has disorder","229327","2020-10-21","18:00:00",""
"7046569","20.39","0.002","14.7529","0.0014","26.785","0.003","90","","109.515","0.003","90","","7594.4","1.3","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H40 B F4 Ir P2 -","- C45 H40 B F4 Ir P2 -","- C360 H320 B8 F32 Ir8 P16 -","8","4","","Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of di- and trinuclear iridium polyhydride complexes surrounded by light-absorbing ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12046","12050","10.1039/c8dt00998h","","","0.71075","MoKα","","0.0565","0.0455","","","0.1099","0.1139","","","","","","1.047","","","","has coordinates","229947","2020-10-21","18:00:00",""
"7046570","17.2579","0.0011","14.7857","0.0008","27.6572","0.0018","90","","107.003","0.0012","90","","6748.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H71 B F4 Ir2 O P4 -","- C78 H61 B F4 Ir2 O P4 -","- C312 H244 B4 F16 Ir8 O4 P16 -","4","1","","Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of di- and trinuclear iridium polyhydride complexes surrounded by light-absorbing ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12046","12050","10.1039/c8dt00998h","","","0.71075","MoKα","","0.0359","0.0298","","","0.0819","0.0923","","","","","","1.144","","","","has coordinates,has disorder","229947","2020-10-21","18:00:00",""
"7046571","15.1654","0.001","25.1723","0.0016","25.6917","0.0018","90","","99.7007","0.0017","90","","9667.5","1.1","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C113 H98 B F4 Ir3 O2 P6 -","- C113 H90 B F4 Ir3 O2 P6 -","- C452 H360 B4 F16 Ir12 O8 P24 -","4","1","","Shitaya, Shoji; Nomura, Kotohiro; Inagaki, Akiko","Synthesis of di- and trinuclear iridium polyhydride complexes surrounded by light-absorbing ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12046","12050","10.1039/c8dt00998h","","","0.71075","MoKα","","0.0394","0.0344","","","0.0892","0.0903","","","","","","1.112","","","","has coordinates","229947","2020-10-21","18:00:00",""
"7046572","7.344","0.003","8.507","0.003","12.926","0.004","73.95","0.03","83.6","0.03","80.66","0.03","763.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cu N3 O6 -","- C14 H11 Cu N3 O6 -","- C28 H22 Cu2 N6 O12 -","2","1","","Najafpour, Mohammad Mahdi; Mehrabani, Somayeh; Mousazade, Younes; Hołyńska, Małgorzata","Water oxidation by a copper(ii) complex: new findings, questions, challenges and a new hypothesis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9021","9029","10.1039/c8dt01876f","","","0.71073","MoKα","","0.0814","0.0624","","","0.1425","0.1483","","","","","","1.011","","","","has coordinates","229322","2020-10-21","18:00:00",""
"7046573","17.191","0.004","10.438","0.003","19.367","0.004","90","","90","","90","","3475.2","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H33 Cl2 Co N P2 -","- C38 H33 Cl2 Co N P2 -","- C152 H132 Cl8 Co4 N4 P8 -","4","1","","Zhai, Yuan-Qi; Deng, Yi-Fei; Zheng, Yan-Zhen","Pseudotetrahedral cobalt(ii) complexes with PNP-ligands showing uniaxial magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8874","8878","10.1039/c8dt01683f","","","0.71073","MoKα","","0.082","0.0439","","","0.0483","0.0534","","","","","","1.154","","","","has coordinates","229309","2020-10-21","18:00:00",""
"7046574","10.221","0.002","18.725","0.004","21.287","0.004","90","","114.07","0.008","90","","3719.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 Co N3 P2 S2 -","- C40 H33 Co N3 P2 S2 -","- C160 H132 Co4 N12 P8 S8 -","4","1","","Zhai, Yuan-Qi; Deng, Yi-Fei; Zheng, Yan-Zhen","Pseudotetrahedral cobalt(ii) complexes with PNP-ligands showing uniaxial magnetic anisotropy.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8874","8878","10.1039/c8dt01683f","","","0.71073","MoKα","","0.0904","0.0464","","","0.1006","0.1175","","","","","","1.004","","","","has coordinates","229309","2020-10-21","18:00:00",""
"7046575","19.4349","0.0005","9.0565","0.0002","14.4674","0.0004","90","","90","","90","","2546.44","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C30 H40 Ti2 -","- C30 H40 Ti2 -","- C120 H160 Ti8 -","4","0.5","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel","Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8921","8932","10.1039/c8dt01909f","","","0.71073","MoKα","","0.038","0.0298","","","0.076","0.0818","","","","","","1.028","","","","has coordinates","229333","2020-10-21","18:00:00",""
"7046576","15.558","0.003","15.558","0.003","31.543","0.007","90","","90","","90","","7635","3","150","2","150","2","","","","","","","","3","P 41","P 4w","76","","","","- C22 H33 Ti -","- C22 H33 Ti -","- C352 H528 Ti16 -","16","4","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel","Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8921","8932","10.1039/c8dt01909f","","","0.71073","MoKα","","0.1307","0.0713","","","0.1471","0.1774","","","","","","1.013","","","","has coordinates","229333","2020-10-21","18:00:00",""
"7046577","17.9665","0.0007","11.6047","0.0004","25.281","0.0009","90","","104.804","0.002","90","","5096","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H29 Cl2 N11 O8 Re2 -","- C48 H29 Cl2 N11 O8 Re2 -","- C192 H116 Cl8 N44 O32 Re8 -","4","1","","Wang, Jinhui; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Métivier, Rémi; Benoist, Eric; Fery-Forgues, Suzanne","The unsuspected influence of the pyridyl-triazole ligand isomerism upon the electronic properties of tricarbonyl rhenium complexes: an experimental and theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8087","8099","10.1039/c8dt01120f","","x-ray","0.71073","MoKα","","0.0531","0.0355","","","0.0849","0.0932","","","","","","1.059","","","","has coordinates,has disorder","229210","2020-10-21","18:00:00",""
"7046578","6.6979","0.0005","19.6258","0.0013","19.4187","0.0013","90","","91.552","0.003","90","","2551.7","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cl N5 O5 Re -","- C26 H19 Cl N5 O5 Re -","- C104 H76 Cl4 N20 O20 Re4 -","4","1","","Wang, Jinhui; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Métivier, Rémi; Benoist, Eric; Fery-Forgues, Suzanne","The unsuspected influence of the pyridyl-triazole ligand isomerism upon the electronic properties of tricarbonyl rhenium complexes: an experimental and theoretical insight.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8087","8099","10.1039/c8dt01120f","","x-ray","0.71073","MoKα","","0.0613","0.0354","","","0.0612","0.0681","","","","","","1.029","","","","has coordinates","229210","2020-10-21","18:00:00",""
"7046579","23.8508","0.0006","16.0961","0.0003","23.6646","0.0004","90","","90.482","0.002","90","","9084.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Fe3 N42 S6 -","- C78 H84 Fe3 N42 S6 -","- C312 H336 Fe12 N168 S24 -","4","0.5","","Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei","Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8063","8069","10.1039/c8dt01839a","","","1.54178","CuKα","","0.0688","0.0587","","","0.1577","0.1678","","","","","","0.956","","","","has coordinates","229226","2020-10-21","18:00:00",""
"7046580","14.418","0.0015","14.418","0.0015","21.872","0.004","90","","90","","120","","3937.6","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H54 Cl6 Fe3 N18 O6 -","- C36 H54 Cl6 Fe3 N18 O6 -","- C108 H162 Cl18 Fe9 N54 O18 -","3","0.166667","","Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei","Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8063","8069","10.1039/c8dt01839a","","","0.71073","MoKα","","0.0695","0.0509","","","0.1138","0.1246","","","","","","1.068","","","","has coordinates","229226","2020-10-21","18:00:00",""
"7046581","23.848","0.013","17.081","0.003","16.644","0.003","90","","134.258","0.016","90","","4856","3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C77 H85 Fe3 N41 O S5 -","- C77 H85 Fe3 N41 O S5 -","- C154 H170 Fe6 N82 O2 S10 -","2","0.5","","Wu, Qiong; Han, Yanbing; Shao, Zhichao; Li, Junxia; Hou, Hongwei","Stable Fe(ii)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8063","8069","10.1039/c8dt01839a","","","0.71073","MoKα","","0.0666","0.055","","","0.1357","0.1473","","","","","","0.888","","","","has coordinates","229226","2020-10-21","18:00:00",""
"7046582","6.641","0.002","29.396","0.006","8.657","0.002","90","","101.472","0.003","90","","1656.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C68 H68 N20 O8 -","4","1","","Huang, Xing-Cai; Qi, Zi-Yi; Ji, Cheng-Long; Guo, Yi-Ming; Yan, Shi-Chang; Zhang, Yi-Quan; Shao, Dong; Wang, Xin-Yi","High-coordinate Co<sup>II</sup> and Fe<sup>II</sup> compounds constructed from an asymmetric tetradentate ligand show slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8940","8948","10.1039/c8dt01829d","","","0.71073","MoKα","","0.0874","0.0719","","","0.1863","0.1955","","","","","","1.113","","","","has coordinates","229324","2020-10-21","18:00:00",""
"7046583","8.078","0.005","9.943","0.005","13.111","0.005","76.07","0.02","74.63","0.04","66.64","0.03","921.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Co N7 O7 -","- C16 H13 Co N7 O7 -","- C32 H26 Co2 N14 O14 -","2","1","","Huang, Xing-Cai; Qi, Zi-Yi; Ji, Cheng-Long; Guo, Yi-Ming; Yan, Shi-Chang; Zhang, Yi-Quan; Shao, Dong; Wang, Xin-Yi","High-coordinate Co<sup>II</sup> and Fe<sup>II</sup> compounds constructed from an asymmetric tetradentate ligand show slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8940","8948","10.1039/c8dt01829d","","","0.71073","MoKα","","0.0466","0.0353","","","0.0911","0.0974","","","","","","1.081","","","","has coordinates","229324","2020-10-21","18:00:00",""
"7046584","11.092","0.002","19.313","0.004","35.246","0.007","90","","90","","90","","7550","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H29 B2 F8 Fe N11 O2 -","- C34 H29 B2 F8 Fe N11 O2 -","- C272 H232 B16 F64 Fe8 N88 O16 -","8","1","","Huang, Xing-Cai; Qi, Zi-Yi; Ji, Cheng-Long; Guo, Yi-Ming; Yan, Shi-Chang; Zhang, Yi-Quan; Shao, Dong; Wang, Xin-Yi","High-coordinate Co<sup>II</sup> and Fe<sup>II</sup> compounds constructed from an asymmetric tetradentate ligand show slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8940","8948","10.1039/c8dt01829d","","","0.71073","MoKα","","0.1171","0.0657","","","0.1441","0.1672","","","","","","1.053","","","","has coordinates","229324","2020-10-21","18:00:00",""
"7046585","9.6263","0.0003","22.7963","0.0008","17.0279","0.0006","90","","99.176","0.001","90","","3688.9","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 F18 N2 O9 Y -","- C31 H19 F18 N2 O9 Y -","- C124 H76 F72 N8 O36 Y4 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","","0.71073","MoKα","","0.0696","0.0538","","","0.153","0.1624","","","","","","1.066","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046586","12.9683","0.0018","16.576","0.003","18.018","0.002","90","","103.338","0.015","90","","3768.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H17 F18 Gd N2 O8 -","- C34 H17 F18 Gd N2 O8 -","- C136 H68 F72 Gd4 N8 O32 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","x-ray","1.54178","CuKα","","0.2532","0.118","","","0.2952","0.3797","","","","","","0.987","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046587","9.62","0.0003","22.9967","0.0006","17.1078","0.0004","90","","98.929","0.002","90","","3738.86","0.18","100","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 F18 Gd N2 O9 -","- C30.9999 H18.9995 F18 Gd N2 O9 -","- C124 H75.998 F72 Gd4 N8 O36 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","x-ray","0.71073","MoKα","","0.1014","0.0915","","","0.2707","0.2793","","","","","","1.13","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046588","25.411","0.006","14.7276","0.0017","26.741","0.004","90","","106.92","0.02","90","","9574","3","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C45 H35 F18 N2 O8 V Y -","- C45 H35 F18 N2 O8 V Y -","- C360 H280 F144 N16 O64 V8 Y8 -","8","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","x-ray","1.54178","CuKα","","0.1426","0.0983","","","0.2462","0.2812","","","","","","1.024","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046589","31.353","0.002","14.8019","0.0009","25.6961","0.0015","90","","124.668","0.002","90","","9808","1.1","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H35 F18 Gd N2 O8 V -","- C45 H35 F18 Gd N2 O8 V -","- C360 H280 F144 Gd8 N16 O64 V8 -","8","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","","0.71073","MoKα","","0.0353","0.0309","","","0.0795","0.0829","","","","","","1.02","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046590","12.9792","0.0009","16.4628","0.0013","17.8859","0.0013","90","","103.679","0.003","90","","3713.4","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H17 F18 N2 O8 Y -","- C34 H17 F18 N2 O8 Y -","- C136 H68 F72 N8 O32 Y4 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","","0.71073","MoKα","","0.0661","0.051","","","0.1365","0.1437","","","","","","1.068","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046591","14.0879","0.0007","14.8963","0.0009","19.6006","0.0012","90","","90","","90","","4113.3","0.4","100","","100","","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C37 H19 F18 N2 O8 V Y -","- C37 H14 F18 N2 O8 V Y -","- C148 H56 F72 N8 O32 V4 Y4 -","4","1","","Hickson, James R.; Horsewill, Samuel J.; Bamforth, Christopher; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10692","10701","10.1039/c8dt01262h","","","0.71073","MoKα","","0.103","0.0687","","","0.1852","0.218","","","","","","1.024","","","","has coordinates,has disorder","229824","2020-10-21","18:00:00",""
"7046592","11.0741","0.001","11.69","0.001","13.0735","0.0011","65.811","0.002","75.634","0.001","62.642","0.001","1367.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","chloroform[[(1,2,5,6-n)-1,5-cyclooctadiene][(2-(9-borabicyclo[3.3.1]non-9-yl)ethyl]diphenylphosphine]rhodium","","- C30 H40 B Cl P Rh -","- C30 H40 B Cl P Rh -","- C60 H80 B2 Cl2 P2 Rh2 -","2","1","","Nichols, Brian R.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Popp, Brian V.","Access to a pair of ambiphilic phosphine-borane regioisomers by rhodium-catalyzed hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8456","8465","10.1039/c8dt01467a","","","0.71073","MoKα","","0.0604","0.0547","","","0.1591","0.1632","","","","","","1.098","","","","has coordinates","229655","2020-10-21","18:00:00",""
"7046593","10.851","0.001","18.685","0.002","23.362","0.002","90","","97.51","0.002","90","","4696","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","carbonylchlorobis[(2-(9-borabicyclo[3.3.1]non-9-yl)ethyl)diphenylphosphine]rhodium","","- C49 H66 B2 Cl O2 P2 Rh -","- C45 H56 B2 Cl O P2 Rh -","- C180 H224 B8 Cl4 O4 P8 Rh4 -","4","1","","Nichols, Brian R.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Popp, Brian V.","Access to a pair of ambiphilic phosphine-borane regioisomers by rhodium-catalyzed hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8456","8465","10.1039/c8dt01467a","","","0.71073","MoKα","","0.0527","0.0367","","","0.1025","0.1085","","","","","","1.031","","","","has coordinates","229655","2020-10-21","18:00:00",""
"7046594","16.5781","0.0006","6.9492","0.0003","17.6391","0.0007","90","","96.3164","0.001","90","","2019.77","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Potassium[[2-(trifluoroborate)ethyl]diphenylphosphine]trihydroboron","","- C17 H23 B2 F3 K O P -","- C17 H23 B2 F3 K O P -","- C68 H92 B8 F12 K4 O4 P4 -","4","1","","Nichols, Brian R.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Popp, Brian V.","Access to a pair of ambiphilic phosphine-borane regioisomers by rhodium-catalyzed hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8456","8465","10.1039/c8dt01467a","","","0.71073","MoKα","","0.0431","0.036","","","0.0862","0.0906","","","","","","1.073","","","","has coordinates","229655","2020-10-21","18:00:00",""
"7046595","12.911","0.003","14.712","0.003","6.6415","0.0013","90","","115.41","0.03","90","","1139.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H14 Mn N5 O2 -","- C6 H5 Mn N4 O -","- C24 H20 Mn4 N16 O4 -","4","0.5","","Spirkl, S.; Grzywa, M.; Volkmer, D.","Synthesis and characterization of a flexible metal organic framework generated from Mn<sup>III</sup> and the 4,4'-bipyrazolate-ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8779","8786","10.1039/c8dt01185k","","","0.71073","MoKα","","0.1899","0.1269","","","0.3122","0.3406","","","","","","1.114","","","","has coordinates","229521","2020-10-21","18:00:00",""
"7046596","21.8889","0.0003","30.2502","0.0005","15.2713","0.0004","90","","133.36","0.001","90","","7351.8","0.3","200","2","200","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C24 H60 Ce2 K N4 O68 P Ti2 W10 -","- C24 H36 Ce2 K N4 O68 P Ti2 W10 -","- C96 H144 Ce8 K4 N16 O272 P4 Ti8 W40 -","4","0.5","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.0522","0.0458","","","0.1281","0.1332","","","","","","1.024","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046597","21.916","0.013","30.097","0.019","15.243","0.009","90","","133.528","0.007","90","","7290","8","293","2","293","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C24 H62 K N4 Nd2 O69 P Ti2 W10 -","- C24 H34 K N4 Nd2 O69 P Ti2 W10 -","- C96 H136 K4 N16 Nd8 O276 P4 Ti8 W40 -","4","0.5","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.0729","0.054","","","0.1297","0.1419","","","","","","1.002","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046598","21.889","0.004","30.183","0.006","15.327","0.003","90","","133.421","0.002","90","","7355","2","296","2","296","2","","","","","","","","9","C 1 2/m 1","-C 2y","12","","","","- C24 H54 K N4 O65 P Sm2 Ti2 W10 -","- C24 H36 K N4 O65 P Sm2 Ti2 W10 -","- C96 H144 K4 N16 O260 P4 Sm8 Ti8 W40 -","4","0.5","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.0719","0.0573","","","0.145","0.1564","","","","","","1.02","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046599","13.0716","0.0006","14.3465","0.0007","21.2358","0.0011","84.449","0.003","89.313","0.003","84.531","0.003","3945.7","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H49.5 K N3.5 Nd2 O62 P W11 -","- C21 H19.5 K N3.5 Nd2 O52 P W11 -","- C42 H39 K2 N7 Nd4 O104 P2 W22 -","2","1","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.1144","0.0808","","","0.2179","0.2449","","","","","","1.098","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046600","13.0263","0.0013","14.3304","0.0014","21.41","0.002","96.253","0.002","91.877","0.002","95.276","0.002","3952.3","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H45 Ce2 N3 O59.5 P W11 -","- C18 H29 Ce2 N3 O52 P W11 -","- C36 H58 Ce4 N6 O104 P2 W22 -","2","1","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.0588","0.0451","","","0.1204","0.1265","","","","","","1.02","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046601","13.0114","0.0005","14.3598","0.0006","21.4373","0.0008","96.428","0.002","91.62","0.002","95.623","0.002","3957.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H59 La2 N3 O66.5 P W11 -","- C18 H29 La2 N3 O52 P W11 -","- C36 H58 La4 N6 O104 P2 W22 -","2","1","","An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun","Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9079","9089","10.1039/c8dt00389k","","","0.71073","MoKα","","0.0715","0.055","","","0.1414","0.1497","","","","","","1.057","","","","has coordinates,has disorder","229323","2020-10-21","18:00:00",""
"7046602","14.7484","0.0004","14.7713","0.0003","22.8613","0.0007","90","","97.39","0.003","90","","4939","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C64 H144 Cu8 I8 Se8 -","- C64 H144 Cu8 I8 Se8 -","- C128 H288 Cu16 I16 Se16 -","2","0.5","","Gahlot, Sweta; Jeanneau, Erwann; Dappozze, Frederic; Guillard, Chantal; Mishra, Shashank","Precursor-mediated synthesis of Cu<sub>2-x</sub>Se nanoparticles and their composites with TiO<sub>2</sub> for improved photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8897","8905","10.1039/c8dt01625a","","x-ray","0.71073","MoKα","","0.1167","0.1127","","0.2373","0.2362","0.2371","","","","","","0.9738","","","","has coordinates","229315","2020-10-21","18:00:00",""
"7046603","12.0827","0.0006","16.2379","0.0009","20.2592","0.001","91.486","0.004","92.316","0.004","104.996","0.005","3833.6","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H54 Cu2 F6 O4 Se3 -","- C28 H54 Cu2 F6 O4 Se3 -","- C112 H216 Cu8 F24 O16 Se12 -","4","2","","Gahlot, Sweta; Jeanneau, Erwann; Dappozze, Frederic; Guillard, Chantal; Mishra, Shashank","Precursor-mediated synthesis of Cu<sub>2-x</sub>Se nanoparticles and their composites with TiO<sub>2</sub> for improved photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8897","8905","10.1039/c8dt01625a","","x-ray","0.71073","MoKα","","0.0969","0.0715","","0.1501","0.1377","0.1501","","","","","","1.0148","","","","has coordinates","229315","2020-10-21","18:00:00",""
"7046604","36.9518","0.001","3.8303","0.0001","20.8394","0.0006","90","","119.687","0.001","90","","2562.39","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H3 Ag N6 -","- C12 H3 Ag N6 -","- C96 H24 Ag8 N48 -","8","1","","Nimax, P. R.; Reimann, D.; Sünkel, K","Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8476","8482","10.1039/c8dt01276h","","","0.71073","MoKα","","0.0321","0.025","","","0.0706","0.0753","","","","","","1.107","","","","has coordinates","229658","2020-10-21","18:00:00",""
"7046605","6.827","0.001","11.578","0.001","12.151","0.002","90","","98.45","0.01","90","","950","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 Ag N5 -","- C10 Ag N5 -","- C40 Ag4 N20 -","4","1","","Nimax, P. R.; Reimann, D.; Sünkel, K","Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8476","8482","10.1039/c8dt01276h","","","0.71073","MoKα","","0.1608","0.0655","","","0.0958","0.12","","","","","","1.003","","","","has coordinates","229658","2020-10-21","18:00:00",""
"7046606","13.726","0.013","18.821","0.01","11.243","0.009","90","","90","","90","","2904","4","253","2","253","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 Ag2 N10 -","- C20 Ag2 N10 -","- C80 Ag8 N40 -","4","1","","Nimax, P. R.; Reimann, D.; Sünkel, K","Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8476","8482","10.1039/c8dt01276h","","","0.71073","MoKα","","0.0346","0.0305","","","0.0809","0.0839","","","","","","1.022","","","","has coordinates","229658","2020-10-21","18:00:00",""
"7046607","8.4566","0.0003","18.8282","0.0007","19.5661","0.0008","90","","100.646","0.001","90","","3061.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 Cl N4 Te -","- C34 H41 Cl N4 Te -","- C136 H164 Cl4 N16 Te4 -","4","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.065","0.0394","","","0.0672","0.074","","","","","","1.036","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046608","6.2469","0.0005","11.8129","0.0008","15.222","0.0012","69.327","0.004","88.425","0.004","85.373","0.004","1047.54","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","PROBLEM: _diffrn_measured_fraction_theta_full Low ....... 0.938 NoteRESPONSE: This was a difficult crystal, data collection took about two daysto collect. It was twinned, integration parameters had to beadjusted to avoid excessive numbers of rejected reflections as peakshapes were not too good but even then enough bad reflections were rejectedso that the coverage is not > 0.95.","","- C26 H26 N4 -","- C26 H26 N4 -","- C52 H52 N8 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","1.54178","CuKα","","0.049","0.0434","","","0.1144","0.1186","","","","","","1.082","","","","has coordinates","229320","2020-10-21","18:00:00",""
"7046609","11.956","0.0018","12.1227","0.0016","12.2148","0.0018","67.559","0.013","61.626","0.015","78.78","0.012","1439.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Cl Hg N4 -","- C26 H25 Cl Hg N4 -","- C52 H50 Cl2 Hg2 N8 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.1253","0.1128","","","0.2859","0.3015","","","","","","1.032","","","","has coordinates","229320","2020-10-21","18:00:00",""
"7046610","14.6614","0.0005","29.0126","0.001","17.4747","0.0006","90","","107.564","0.004","90","","7086.6","0.4","123","2","123","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C140 H176 Cl4.72 Hg2 I3.28 N16 O2 S2 Te4 -","- C140 H176 Cl4.717 Hg2 I3.283 N16 O2 S2 Te4 -","- C280 H352 Cl9.434 Hg4 I6.566 N32 O4 S4 Te8 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.0575","0.0446","","","0.092","0.0981","","","","","","1.024","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046611","9.7095","0.0003","10.3357","0.0004","17.0457","0.0006","100.958","0.001","98.855","0.001","102.3","0.001","1606.81","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cl Hg N4 O0.5 -","- C34 H42 Cl Hg N4 O0.5 -","- C68 H84 Cl2 Hg2 N8 O -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","1.54178","CuKα","","0.025","0.0246","","","0.0634","0.0638","","","","","","1.081","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046612","12.9262","0.0006","13.9179","0.0006","19.7414","0.0009","100.17","0.002","105.73","0.002","99.54","0.002","3278.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82 Cl4 Hg N8 Se2 -","- C68 H82 Cl4 Hg N8 Se2 -","- C136 H164 Cl8 Hg2 N16 Se4 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.0508","0.0336","","","0.0631","0.0684","","","","","","1.067","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046613","13.667","0.004","13.68","0.004","19.826","0.005","71.363","0.004","72.335","0.004","83.772","0.004","3346.5","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82 Br4 Hg N8 Se2 -","- C68 H82 Br4 Hg N8 Se2 -","- C136 H164 Br8 Hg2 N16 Se4 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.0684","0.0452","","","0.11","0.1209","","","","","","1.031","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046614","11.6647","0.0007","16.1563","0.0009","16.5266","0.001","75.601","0.004","76.154","0.003","89.915","0.003","2923.5","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H42 N4 -","- C34 H42 N4 -","- C136 H168 N16 -","4","2","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.1395","0.1166","","","0.3022","0.3221","","","","","","1.027","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046615","8.4748","0.0003","18.8236","0.0006","19.9172","0.0006","90","","101.442","0.001","90","","3114.17","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 Br0.88 Cl0.12 N4 Te -","- C34 H41 Br0.882 Cl0.118 N4 Te -","- C136 H164 Br3.528 Cl0.472 N16 Te4 -","4","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.061","0.0396","","","0.0703","0.0764","","","","","","1.054","","","","has coordinates,has disorder","229320","2020-10-21","18:00:00",""
"7046616","12.4707","0.0002","14.0869","0.0002","20.2109","0.0002","97.138","0.001","104.97","0.001","99.086","0.001","3335.9","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H82 Cl4 Hg N8 Te2 -","- C68 H82 Cl4 Hg N8 Te2 -","- C136 H164 Cl8 Hg2 N16 Te4 -","2","1","","Rani, Varsha; Boda, Manjusha; Raju, Saravanan; Naresh Patwari, G.; Singh, Harkesh B.; Butcher, Ray J.","Synthesis and structure of arylselenium(ii) and aryltellurium(ii) cations based on rigid 5-tert-butyl-1,3-bis-(N-pentylbenzimidazol-2'-yl)benzenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9114","9127","10.1039/c8dt01148f","","","0.71073","MoKα","","0.0421","0.0337","","","0.0743","0.0784","","","","","","1.031","","","","has coordinates","229320","2020-10-21","18:00:00",""
"7046617","18.438","0.004","18.438","0.004","18.792","0.004","90","","90","","120","","5533","2","293.15","","293.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C72 H84 Cl2 Cu9 N32 O24 -","- C72 H84 Cl2 Cu9 N32 O24 -","- C144 H168 Cl4 Cu18 N64 O48 -","2","0.166667","","Zheng, Tian-Rui; Qian, Lin-Lu; Li, Min; Wang, Zhi-Xiang; Li, Ke; Zhang, Ya-Qian; Li, Bao-Long; Wu, Bing","A bifunctional cationic metal-organic framework based on unprecedented nonanuclear copper(ii) cluster for high dichromate and chromate trapping and highly efficient photocatalytic degradation of organic dyes under visible light irradiation.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9103","9113","10.1039/c8dt01685b","","","0.71075","MoKα","","0.0543","0.0475","","","0.1162","0.1205","","","","","","1.072","","","","has coordinates,has disorder","229330","2020-10-21","18:00:00",""
"7046618","17.2312","0.0016","12.162","0.0008","27.103","0.002","90","","101.229","0.009","90","","5571.1","0.8","140","2","140","2","","","","","","","","6","A 1 2 1","A 2y","5","","","","- C58 H80 Cl2 N2 O4 Ti -","- C56 H77 Cl2 N O4 Ti -","- C224 H308 Cl8 N4 O16 Ti4 -","4","1","","Miller-Shakesby, David M; Nigam, Shubhanchi; Hughes, David L.; Lopez-Estelles, Enrique; Elsegood, Mark R. J.; Cawthorne, Christopher J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8992","8999","10.1039/c8dt01992d","","","0.71073","MoKα","","0.1299","0.0667","","","0.1271","0.1441","","","","","","0.816","","","","has coordinates","229316","2020-10-21","18:00:00",""
"7046619","31.7283","0.0003","14.26944","0.00014","28.7967","0.0003","90","","111.214","0.0012","90","","12154.1","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C114.62 H146.35 Cl2.69 N12 O11.96 Si1.31 Ti4 -","- C114.616 H144.848 Cl2.692 N12 O11.962 Si1.308 Ti4 -","- C458.464 H579.392 Cl10.768 N48 O47.848 Si5.232 Ti16 -","4","0.5","","Miller-Shakesby, David M; Nigam, Shubhanchi; Hughes, David L.; Lopez-Estelles, Enrique; Elsegood, Mark R. J.; Cawthorne, Christopher J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8992","8999","10.1039/c8dt01992d","","","0.71073","MoKα","","0.06","0.0572","","","0.1455","0.147","","","","","","1.181","","","","has coordinates,has disorder","229316","2020-10-21","18:00:00",""
"7046620","26.816","0.002","13.2305","0.0009","32.648","0.003","90","","104.48","0.003","90","","11215.2","1.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112.5 H148.75 Cl N7.25 O9 Ti2 -","- C108.5 H141.25 Cl N5.25 O9 Ti2 -","- C434 H565 Cl4 N21 O36 Ti8 -","4","1","","Miller-Shakesby, David M; Nigam, Shubhanchi; Hughes, David L.; Lopez-Estelles, Enrique; Elsegood, Mark R. J.; Cawthorne, Christopher J.; Archibald, Stephen J.; Redshaw, Carl","Synthesis, crystal structure, and cytotoxicity studies of titanacalix[4 and 8]arene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8992","8999","10.1039/c8dt01992d","","","0.71073","MoKα","","0.1868","0.1222","","","0.2325","0.2753","","","","","","1.064","","","","has coordinates,has disorder","229316","2020-10-21","18:00:00",""
"7046621","11.0923","0.0003","13.0606","0.0003","16.7307","0.0004","82.9084","0.001","80.241","0.0009","76.9312","0.001","2317.7","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(5,6:11,12-di-o-phenylenetetracene)-potassium-di(benzo-15-crown-5)","","- C58 H56 K O10 -","- C58 H56 K O10 -","- C116 H112 K2 O20 -","2","1","","Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.; Schneider, Jörg J","Complete charge separation provoked by full cation encapsulation in the radical mono- and di-anions of 5,6:11,12-di-o-phenylene-tetracene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10874","10883","10.1039/c8dt01285g","","","1.54178","Cu-Kα","","0.0368","0.0319","","","0.0754","0.0788","","","","","","0.969","","","","has coordinates","229373","2020-10-21","18:00:00",""
"7046622","12.746","0.007","13.528","0.003","13.986","0.004","117.713","0.004","94.525","0.006","96.238","0.005","2099.2","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(5,6:11,12-di-o-phenylenetetracene)-di(potassium-di(benzo-15-crown-5))","","- C94 H112 K2 O22 -","- C94 H112 K2 O22 -","- C94 H112 K2 O22 -","1","0.5","","Wombacher, Tobias; Goddard, Richard; Lehmann, Christian W.; Schneider, Jörg J","Complete charge separation provoked by full cation encapsulation in the radical mono- and di-anions of 5,6:11,12-di-o-phenylene-tetracene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10874","10883","10.1039/c8dt01285g","","","0.71073","Mo-Kα","","0.0753","0.0564","","","0.1547","0.1706","","","","","","1.031","","","","has coordinates,has disorder","229373","2020-10-21","18:00:00",""
"7046623","25.284","0.005","9.6695","0.0019","15.833","0.003","90","","90","","90","","3870.9","1.3","173.15","","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H40 Cl2 N2 P2 Ru -","- C45 H40 Cl2 N2 P2 Ru -","- C180 H160 Cl8 N8 P8 Ru4 -","4","1","","Li, Jiaoyan; Ma, Yingmiao; Wang, Zheng; Liu, Qingbin; Solan, Gregory; 马, 艳平; Sun, Wen Hua","An air and moisture tolerant iminotrihydroquinoline-ruthenium(II) catalyst for the transfer hydrogenation of ketones","Dalton Transactions","2018","","","","","10.1039/C8DT01919C","","","0.71073","MoKα","","0.0364","0.0349","","","0.084","0.0847","","","","","","1.0431","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7046624","12.296","0.003","10.957","0.002","33.036","0.007","90","","97.24","0.03","90","","4415.4","1.7","173.15","","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 P2 Ru -","- C45 H42 Cl2 N2 P2 Ru -","- C180 H168 Cl8 N8 P8 Ru4 -","4","1","","Li, Jiaoyan; Ma, Yingmiao; Wang, Zheng; Liu, Qingbin; Solan, Gregory; 马, 艳平; Sun, Wen Hua","An air and moisture tolerant iminotrihydroquinoline-ruthenium(II) catalyst for the transfer hydrogenation of ketones","Dalton Transactions","2018","","","","","10.1039/C8DT01919C","","","0.71073","MoKα","","0.1128","0.0962","","","0.2214","0.2319","","","","","","1.125","","","","has coordinates","208286","2020-10-21","18:00:00",""
"7046625","11.1123","0.0008","12.6075","0.0008","18.2009","0.0012","93.804","0.002","90.099","0.002","98.524","0.002","2516","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H78 Al O P Si6 -","- C42 H78 Al O P Si6 -","- C84 H156 Al2 O2 P2 Si12 -","2","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0622","0.0412","","","0.0959","0.1046","","","","","","1.023","","","","has coordinates,has disorder","229661","2020-10-21","18:00:00",""
"7046626","12.561","0.002","13.234","0.002","14.421","0.003","75.054","0.006","84.325","0.006","77.357","0.006","2257.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H76 Al N2 P Si6 -","- C32 H76 Al N2 P Si6 -","- C64 H152 Al2 N4 P2 Si12 -","2","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0406","0.0314","","","0.0841","0.0885","","","","","","1.048","","","","has coordinates,has disorder","229661","2020-10-21","18:00:00",""
"7046627","12.3878","0.0002","17.6276","0.0003","21.3164","0.0004","90","","102.385","0.001","90","","4546.48","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H77 Al N P Si6 -","- C32 H77 Al N P Si6 -","- C128 H308 Al4 N4 P4 Si24 -","4","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0437","0.0323","","","0.0896","0.0946","","","","","","1.024","","","","has coordinates","229661","2020-10-21","18:00:00",""
"7046628","11.0869","0.0013","13.6623","0.0016","18.142","0.002","88.172","0.004","75.082","0.004","71.814","0.004","2519.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H78 Al P S Si6 -","- C42 H78 Al P S Si6 -","- C84 H156 Al2 P2 S2 Si12 -","2","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0463","0.034","","","0.0846","0.0897","","","","","","1.034","","","","has coordinates,has disorder","229661","2020-10-21","18:00:00",""
"7046629","17.8098","0.0007","12.1515","0.0004","19.0947","0.0006","90","","101.11","0.0011","90","","4055","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H68 Al P Si6 -","- C27 H68 Al P Si6 -","- C108 H272 Al4 P4 Si24 -","4","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0605","0.0381","","","0.0909","0.1001","","","","","","1.022","","","","has coordinates,has disorder","229661","2020-10-21","18:00:00",""
"7046630","21.5251","0.0008","12.7487","0.0005","17.5471","0.0006","90","","105.765","0.002","90","","4634.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H73 Al N O P Si6 -","- C34 H73 Al N O P Si6 -","- C136 H292 Al4 N4 O4 P4 Si24 -","4","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0346","0.0289","","","0.0771","0.0808","","","","","","1.06","","","","has coordinates","229661","2020-10-21","18:00:00",""
"7046631","17.9651","0.0006","11.5213","0.0004","24.6131","0.0008","90","","111.103","0.001","90","","4752.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H75 Al N P S Si6 -","- C35 H75 Al N P S Si6 -","- C140 H300 Al4 N4 P4 S4 Si24 -","4","1","","Keweloh, Lukas; Aders, Niklas; Hepp, Alexander; Pleschka, Damian; Würthwein, Ernst-Ulrich; Uhl, Werner","A P-H functionalized Al/P-based frustrated Lewis pair - hydrophosphination of nitriles, ring opening with cyclopropenones and evidence of P[double bond, length as m-dash]C double bond formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8402","8417","10.1039/c8dt01836g","","","0.71073","MoKα","","0.0607","0.0338","","","0.0831","0.09","","","","","","1.025","","","","has coordinates,has disorder","229661","2020-10-21","18:00:00",""
"7046632","12.6925","0.0011","13.3259","0.0011","32.834","0.003","90","","95.886","0.005","90","","5524.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H63 Cl P4 Ru S -","- C64 H63 Cl P4 Ru S -","- C256 H252 Cl4 P16 Ru4 S4 -","4","1","","Saha Roy, Sourav; Sil, Amit; Giri, Dipanjan; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Diruthenium(ii)-capped oligothienylethynyl bridged highly soluble organometallic wires exhibiting long-range electronic coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14304","14317","10.1039/c8dt01818a","","","0.71073","MoKα","","0.1741","0.0684","","","0.1172","0.1459","","","","","","1.005","","","","has coordinates","229738","2020-10-21","18:00:00",""
"7046633","15.0308","0.001","10.845","0.0007","14.9367","0.001","90","","105.677","0.002","90","","2344.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 N4 Ni O6 P -","- C19 H35 N4 Ni O6 P -","- C76 H140 N16 Ni4 O24 P4 -","4","1","","Yap, Chew Pheng; Chong, Yuan Yi; Chwee, Tsz Sian; Fan, Wai Yip","Electrocatalytic proton reduction by an air-stable nickel(ii)-thiolato PNN pincer complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8483","8488","10.1039/c8dt00911b","","","0.71073","MoKα","","0.061","0.047","","","0.1114","0.1167","","","","","","1.154","","","","has coordinates","229659","2020-10-21","18:00:00",""
"7046634","10.4946","0.0006","14.6252","0.0009","24.2697","0.0014","77.195","0.002","86.842","0.002","70.793","0.002","3429.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H51 N2 Ni O4 P S2 -","- C33 H51 N2 Ni O4 P S2 -","- C132 H204 N8 Ni4 O16 P4 S8 -","4","2","","Yap, Chew Pheng; Chong, Yuan Yi; Chwee, Tsz Sian; Fan, Wai Yip","Electrocatalytic proton reduction by an air-stable nickel(ii)-thiolato PNN pincer complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8483","8488","10.1039/c8dt00911b","","","0.71073","MoKα","","0.1358","0.075","","","0.1742","0.1977","","","","","","1.028","","","","has coordinates,has disorder","229659","2020-10-21","18:00:00",""
"7046635","31.456","0.005","10.5339","0.0017","13.821","0.002","90","","90","","90","","4579.6","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C19 H37 Cl2 N2 Ni O P -","- C19 H37 Cl2 N2 Ni O P -","- C152 H296 Cl16 N16 Ni8 O8 P8 -","8","2","","Yap, Chew Pheng; Chong, Yuan Yi; Chwee, Tsz Sian; Fan, Wai Yip","Electrocatalytic proton reduction by an air-stable nickel(ii)-thiolato PNN pincer complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8483","8488","10.1039/c8dt00911b","","","0.71073","MoKα","","0.0356","0.0328","","","0.0717","0.0731","","","","","","1.04","","","","has coordinates","229659","2020-10-21","18:00:00",""
"7046636","9.1985","0.0005","18.3882","0.0008","18.6209","0.0008","73.643","0.004","75.844","0.004","79.276","0.004","2907","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cd2 I2 N4 O8 -","- C44 H32 Cd2 I2 N4 O8 -","- C88 H64 Cd4 I4 N8 O16 -","2","1","","Chen, Cheng; Rao, Huizhen; Lin, Shen; Zhang, Jie","A vapochromic strategy for ammonia sensing based on a bipyridinium constructed porous framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8204","8208","10.1039/c8dt01728j","","","1.54178","CuKα","","0.0592","0.0462","","","0.1037","0.1101","","","","","","1.043","","","","has coordinates","229672","2020-10-21","18:00:00",""
"7046637","11.6451","0.0006","15.7066","0.0007","11.7436","0.0006","90","","117.744","0.002","90","","1901.02","0.17","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Greiser, Julia; Kühnel, Christian; Görls, Helmar; Weigand, Wolfgang; Freesmeyer, Martin","N,1,4-Tri(4-alkoxy-2-hydroxybenzyl)-DAZA: efficient one-pot synthesis and labelling with <sup>68</sup>Ga for PET liver imaging in ovo.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9000","9007","10.1039/c8dt01038b","","","0.71073","MoKα","","0.1359","0.0846","","","0.1425","0.1607","","","","","","1.186","","","","has coordinates","229317","2020-10-21","18:00:00",""
"7046638","7.2228","0.0002","11.9597","0.0003","17.8857","0.0004","77.175","0.002","87.679","0.002","79.603","0.001","1481.73","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N3 O6 -","- C32 H43 N3 O6 -","- C64 H86 N6 O12 -","2","1","","Greiser, Julia; Kühnel, Christian; Görls, Helmar; Weigand, Wolfgang; Freesmeyer, Martin","N,1,4-Tri(4-alkoxy-2-hydroxybenzyl)-DAZA: efficient one-pot synthesis and labelling with <sup>68</sup>Ga for PET liver imaging in ovo.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9000","9007","10.1039/c8dt01038b","","","0.71073","MoKα","","0.085","0.066","","","0.122","0.1338","","","","","","1.13","","","","has coordinates","229317","2020-10-21","18:00:00",""
"7046639","14.0088","0.0005","5.7639","0.0002","33.2059","0.0014","90","","98.854","0.002","90","","2649.27","0.17","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N3 O6 -","- C29 H37 N3 O6 -","- C116 H148 N12 O24 -","4","1","","Greiser, Julia; Kühnel, Christian; Görls, Helmar; Weigand, Wolfgang; Freesmeyer, Martin","N,1,4-Tri(4-alkoxy-2-hydroxybenzyl)-DAZA: efficient one-pot synthesis and labelling with <sup>68</sup>Ga for PET liver imaging in ovo.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9000","9007","10.1039/c8dt01038b","","","0.71073","MoKα","","0.1133","0.0805","","","0.1635","0.1836","","","","","","1.056","","","","has coordinates","229317","2020-10-21","18:00:00",""
"7046640","12.5331","0.0008","13.0787","0.0008","16.5949","0.001","91.988","0.001","108.137","0.001","101.081","0.001","2523.8","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Co2 F18 N11 O3 P3 -","- C42 H44 Co2 F17.98 N11 O3 P3 -","- C84 H88 Co4 F35.96 N22 O6 P6 -","2","1","","Brodsky, Casey N.; Passard, Guillaume; Ullman, Andrew M.; Jaramillo, David E.; Bloch, Eric D.; Huynh, Michael; Gygi, David; Costentin, Cyrille; Nocera, Daniel G.","Oxygen activation at a dicobalt centre of a dipyridylethane naphthyridine complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11903","11908","10.1039/c8dt01598h","","","0.71073","MoKα","","0.0622","0.0425","","","0.1051","0.1148","","","","","","1.026","","","","has coordinates,has disorder","229983","2020-10-21","18:00:00",""
"7046641","12.9276","0.0017","14.7062","0.0019","14.9906","0.0019","65.672","0.004","66.433","0.004","87.83","0.004","2352.7","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 Co2 F12 N8 O2 P2 -","- C36 H34 Co2 F12 N8 O2 P2 -","- C72 H68 Co4 F24 N16 O4 P4 -","2","1","","Brodsky, Casey N.; Passard, Guillaume; Ullman, Andrew M.; Jaramillo, David E.; Bloch, Eric D.; Huynh, Michael; Gygi, David; Costentin, Cyrille; Nocera, Daniel G.","Oxygen activation at a dicobalt centre of a dipyridylethane naphthyridine complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11903","11908","10.1039/c8dt01598h","","","0.71073","MoKα","","0.1872","0.0731","","","0.1396","0.1605","","","","","","0.914","","","","has coordinates,has disorder","229983","2020-10-21","18:00:00",""
"7046642","17.284","0.003","9.272","0.002","13.883","0.003","90","","97.03","0.02","90","","2208.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Li N2 O4 -","- C23 H29 Li N2 O4 -","- C92 H116 Li4 N8 O16 -","4","1","","Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Alkali metal complexes based on bisheterocyclomethanide ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12606","12612","10.1039/c8dt01678j","","","0.71073","MoKα","","0.044","0.0334","","","0.0748","0.0816","","","","","","1.044","","","","has coordinates","229910","2020-10-21","18:00:00",""
"7046643","11.2","0.002","19.897","0.003","7.745","0.002","90","","90","","90","","1725.9","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 K N2 O3 -","- C19 H17 K N2 O3 -","- C76 H68 K4 N8 O12 -","4","1","","Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Alkali metal complexes based on bisheterocyclomethanide ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12606","12612","10.1039/c8dt01678j","","","0.71073","MoKα","","0.0224","0.021","","","0.0556","0.0566","","","","","","1.029","","","","has coordinates,has disorder","229910","2020-10-21","18:00:00",""
"7046644","15.913","0.003","10.981","0.002","15.309","0.003","90","","90","","90","","2675.1","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H33 K N2 O8 -","- C27 H33 K N2 O8 -","- C108 H132 K4 N8 O32 -","4","1","","Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar","Alkali metal complexes based on bisheterocyclomethanide ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12606","12612","10.1039/c8dt01678j","","","0.71073","MoKα","","0.044","0.0343","","","0.0693","0.0727","","","","","","1.074","","","","has coordinates,has disorder","229910","2020-10-21","18:00:00",""
"7046645","8.2075","0.0016","18.297","0.004","16.182","0.003","90","","98.63","0.03","90","","2402.6","0.9","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N O5 P W -","- C27 H18 N O5 P W -","- C108 H72 N4 O20 P4 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0524","0.0333","","","0.0735","0.078","","","","","","0.908","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046646","16.3244","0.0017","18.597","0.0012","7.2964","0.0005","90","","90","","90","","2215.1","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","AL70","","- C26 H15 F N O4 P W -","- C26 H15 F N O4 P W -","- C104 H60 F4 N4 O16 P4 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0618","0.0412","","","0.0949","0.102","","","","","","0.949","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046647","10.686","0.0003","21.8463","0.0005","7.4437","0.0001","90","","92.658","0.001","90","","1735.86","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 F3 N2 -","- C23 H15 F3 N2 -","- C92 H60 F12 N8 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0572","0.0431","","","0.1008","0.1076","","","","","","1.035","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046648","8.443","0.0017","16.193","0.003","17.514","0.004","90","","92.85","0.03","90","","2391.5","0.9","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O4 S W -","- C27 H18 N2 O4 S W -","- C108 H72 N8 O16 S4 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.1416","0.0405","","","0.0648","0.0814","","","","","","0.73","","","","has coordinates,has disorder","229204","2020-10-21","18:00:00",""
"7046649","11.888","0.001","11.888","0.001","32.757","0.005","90","","90","","90","","4629.4","0.9","143","2","143","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C27 H16.5 F N2.5 O4 W -","- C27 H16.5 F N2.5 O4 W -","- C216 H132 F8 N20 O32 W8 -","8","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0773","0.0422","","","0.0765","0.0863","","","","","","1.138","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046650","8.3701","0.0005","16.0053","0.0007","17.5299","0.0011","90","","92.967","0.005","90","","2345.3","0.2","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O5 V0 W -","- C27 H18 N2 O5 W -","- C108 H72 N8 O20 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0376","0.0262","","","0.0593","0.0619","","","","","","0.957","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046651","8.1048","0.0016","11.553","0.002","12.473","0.003","64.34","0.03","81.29","0.03","77.44","0.03","1025.4","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 B F4 N O S -","- C23 H18 B F4 N O S -","- C46 H36 B2 F8 N2 O2 S2 -","2","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.1261","0.0564","","","0.1172","0.1401","","","","","","0.932","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046652","7.2677","0.0002","14.2809","0.0003","17.5498","0.0005","90","","97.5668","0.0009","90","","1805.62","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 B F5 N O -","- C22 H15 B F5 N O -","- C88 H60 B4 F20 N4 O4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.057","0.04","","","0.091","0.0996","","","","","","1.048","","","","has coordinates,has disorder","229204","2020-10-21","18:00:00",""
"7046653","14.5198","0.0007","17.24","0.0009","19.1014","0.001","90","","99.322","0.0014","90","","4718.3","0.4","100","","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 F6 N4 O8 W2 -","- C54 H30 F6 N4 O8 W2 -","- C216 H120 F24 N16 O32 W8 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0235","0.0194","","","0.0423","0.0438","","","","","","1.049","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046654","10.088","0.0003","26.1395","0.0007","7.7459","0.0002","90","","104.137","0.001","90","","1980.7","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 B F4 N O S -","- C23 H18 B F4 N O S -","- C92 H72 B4 F16 N4 O4 S4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0676","0.0532","","","0.1173","0.1246","","","","","","1.054","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046655","7.8635","0.0006","16.7687","0.0009","18.1335","0.0012","90","","98.182","0.006","90","","2366.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 S W -","- C27 H18 N2 O4 S W -","- C108 H72 N8 O16 S4 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0531","0.0336","","","0.0728","0.0778","","","","","","0.927","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046656","8.1178","0.0016","16.843","0.003","16.736","0.003","90","","90.9","0.03","90","","2288","0.7","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O5 W -","- C27 H18 N2 O5 W -","- C108 H72 N8 O20 W4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.0564","0.0435","","","0.1016","0.1041","","","","","","1.175","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046657","7.611","0.002","13.016","0.004","13.175","0.004","79.773","0.006","73.331","0.006","83.135","0.006","1227.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 F N2 O4 W -","- C26 H15 F N2 O4 W -","- C52 H30 F2 N4 O8 W2 -","2","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","0.71073","MoKα","","0.02","0.0178","","","0.0447","0.0457","","","","","","1.062","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046658","19.3924","0.0002","5.14157","0.00005","18.1289","0.0002","90","","99.9167","0.0007","90","","1780.58","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 S -","- C23 H18 N2 S -","- C92 H72 N8 S4 -","4","1","","Loibl, Antonia; Oschmann, Wiebke; Vogler, Maria; Pidko, Evgeny A.; Weber, Manuela; Wiecko, Jelena; Müller, Christian","Substituent effects in pyridyl-functionalized pyrylium salts, pyridines and λ<sup>3</sup>,σ<sup>2</sup>-phosphinines: a fundamental and systematic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9355","9366","10.1039/c8dt01441h","","","1.54178","CuKα","","0.0807","0.0624","","","0.1544","0.1661","","","","","","1.026","","","","has coordinates","229204","2020-10-21","18:00:00",""
"7046659","9.7637","0.0008","9.764","","20.5506","0.0018","90","","90","","90","","1959.1","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 O10 P2 Sm -","- C2 H11 O10 P2 Sm -","- C16 H88 O80 P16 Sm8 -","8","1","","Wang, Xi; Lou, Dandan; Lu, Xiangcheng; Wu, Jianbin; Mu, Ying; Yan, Yan; Zhang, Qian; Bai, Ming","Switching on the proton transport pathway of a lanthanide metal-organic framework by one-pot loading of tetraethylene glycol for high proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9096","9102","10.1039/c8dt01350k","","","0.71073","MoKα","","0.0308","0.0281","","","0.079","0.0807","","","","","","1.025","","","","has coordinates","229319","2020-10-21","18:00:00",""
"7046660","18.2752","0.0013","16.611","0.0011","9.2679","0.0007","90","","90.769","0.006","90","","2813.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Fe Mn N2 O14 -","- C27 H21 Fe Mn N2 O14 -","- C108 H84 Fe4 Mn4 N8 O56 -","4","1","","Benmansour, Samia; Cerezo-Navarrete, Christian; Canet-Ferrer, Josep; Muñoz-Matutano, Guillermo; Martínez-Pastor, Juan; Gómez-García, Carlos J","A fluorescent layered oxalato-based canted antiferromagnet.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11909","11916","10.1039/c8dt01473f","","","0.71073","MoKα","","0.1534","0.0812","","","0.1448","0.173","","","","","","1.051","","","","has coordinates,has disorder","229976","2020-10-21","18:00:00",""
"7046661","9.3965","0.0013","9.4038","0.0013","9.8839","0.0013","78.572","0.004","83.372","0.005","70.771","0.004","807.11","0.19","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H48 Ca K2 O4 -","- C32 H48 Ca K2 O4 -","- C32 H48 Ca K2 O4 -","1","0.5","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0399","0.0284","","","0.0639","0.0685","","","","","","1.033","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046662","15.2248","0.0015","16.5088","0.0016","18.625","0.0018","90","","90","","90","","4681.3","0.8","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C36 H76 N2 O4 Si4 Sr2 -","- C36 H76 N2 O4 Si4 Sr2 -","- C144 H304 N8 O16 Si16 Sr8 -","4","0.5","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0614","0.0349","","","0.0726","0.0882","","","","","","1.099","","","","has coordinates,has disorder","229930","2020-10-21","18:00:00",""
"7046663","10.8699","0.0015","11.0066","0.0015","12.9292","0.0018","90.807","0.005","90.496","0.005","107.908","0.004","1471.6","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19.5 H43.5 K N2 Si4 Sr -","- C19.5 H43.5 K N2 Si4 Sr -","- C39 H87 K2 N4 Si8 Sr2 -","2","1","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.107","0.1023","","","0.2745","0.2787","","","","","","1.076","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046664","14.9483","0.0018","15.5217","0.0016","16.6","0.002","90","","97.753","0.004","90","","3816.4","0.8","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 Ca2 N2 O2 Si4 -","- C28 H52 Ca2 N2 O2 Si4 -","- C112 H208 Ca8 N8 O8 Si16 -","4","1","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0496","0.0363","","","0.0958","0.1041","","","","","","1.04","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046665","25.3493","0.0019","11.5675","0.0008","17.5984","0.0013","90","","96.128","0.002","90","","5130.9","0.6","100","2","100","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C42 H74 Ca2 K2 N2 O2 Si4 -","- C42 H74 Ca2 K2 N2 O2 Si4 -","- C168 H296 Ca8 K8 N8 O8 Si16 -","4","1","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0465","0.0437","","","0.1064","0.1087","","","","","","1.031","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046666","11.1238","0.0016","13.0381","0.0019","14.895","0.002","113.384","0.005","104.8","0.005","92.236","0.005","1892.9","0.5","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C60 H112 K2 N4 Si8 Sr2 -","- C60 H112 K2 N4 Si8 Sr2 -","- C60 H112 K2 N4 Si8 Sr2 -","1","0.5","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.1163","0.0749","","","0.2305","0.2595","","","","","","1.075","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046667","14.7841","0.0006","10.8936","0.0004","15.0864","0.0006","90","","103.63","0.001","90","","2361.27","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 Ca K N Si2 -","- C21 H34 Ca K N Si2 -","- C84 H136 Ca4 K4 N4 Si8 -","4","1","","Sroor, Farid M.; Vendier, Laure; Etienne, Michel","Cyclooctatetraenyl calcium and strontium amido complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12587","12595","10.1039/c8dt02257g","","","0.71073","MoKα","","0.0829","0.0557","","0.0949","0.0532","0.0504","","","","","","1.0556","","","","has coordinates","229930","2020-10-21","18:00:00",""
"7046668","9.4704","0.0003","16.8186","0.0005","22.8415","0.0007","90","","90","","90","","3638.17","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Br2 Fe N5 -","- C36 H53 Br2 Fe N5 -","- C144 H212 Br8 Fe4 N20 -","4","1","","Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Ferrate(ii) complexes with redox-active formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8817","8823","10.1039/c8dt01597j","","","0.71073","MoKα","","0.0197","0.0165","","","0.0371","0.0381","","","","","","1.031","","","","has coordinates,has disorder","229517","2020-10-21","18:00:00",""
"7046669","9.1098","0.0005","16.4746","0.0008","23.8401","0.0013","90","","90","","90","","3577.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 Fe N5 -","- C36 H53 Cl2 Fe N5 -","- C144 H212 Cl8 Fe4 N20 -","4","1","","Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Ferrate(ii) complexes with redox-active formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8817","8823","10.1039/c8dt01597j","","","0.71073","MoKα","","0.0273","0.0233","","","0.054","0.0556","","","","","","1.048","","","","has coordinates","229517","2020-10-21","18:00:00",""
"7046670","10.1421","0.0007","11.179","0.0008","28.764","0.002","87.411","0.003","86.537","0.003","77.464","0.003","3175.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H77 Br Fe N8 O8 -","- C68 H77 Br Fe N8 O8 -","- C136 H154 Br2 Fe2 N16 O16 -","2","1","","Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Ferrate(ii) complexes with redox-active formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8817","8823","10.1039/c8dt01597j","","","0.71073","MoKα","","0.0484","0.0403","","","0.0895","0.0926","","","","","","1.121","","","","has coordinates","229517","2020-10-21","18:00:00",""
"7046671","12.6859","0.0009","14.905","0.0011","14.1864","0.0011","90","","94.431","0.002","90","","2674.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N6 O4 -","- C26 H40 N6 O4 -","- C104 H160 N24 O16 -","4","1","","Kovacs, Daniel; Phipps, Dulcie; Orthaber, Andreas; Borbas, K. Eszter","Highly luminescent lanthanide complexes sensitised by tertiary amide-linked carbostyril antennae.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10702","10714","10.1039/c8dt01270a","","","0.71073","MoKα","","0.1098","0.0618","","","0.1482","0.1759","","","","","","1.025","","","","has coordinates,has disorder","229844","2020-10-21","18:00:00",""
"7046672","8.7962","0.0002","14.401","0.0004","17.662","0.0005","100.199","0.001","98.078","0.001","107.476","0.001","2055.14","0.1","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Dy N6 O11 -","- C30 H41 Dy N6 O11 -","- C60 H82 Dy2 N12 O22 -","2","1","","Kovacs, Daniel; Phipps, Dulcie; Orthaber, Andreas; Borbas, K. Eszter","Highly luminescent lanthanide complexes sensitised by tertiary amide-linked carbostyril antennae.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10702","10714","10.1039/c8dt01270a","","","0.71073","MoKα","","0.0396","0.0318","","","0.0686","0.0708","","","","","","0.998","","","","has coordinates,has disorder","229844","2020-10-21","18:00:00",""
"7046673","10.5921","0.001","20.293","0.002","28.55","0.003","90","","90","","90","","6136.7","1.1","296","2","296.15","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C3 H56 Mn Mo12 N5 O66 Te2 -","- C3 Mn Mo12 O48 Te2 -","- C12 Mn4 Mo48 O192 Te8 -","4","0.5","","Zhang, Panpan; Singh, Vikram; Jia, Jiage; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Organometallic functionalized non-classical polyoxometalates: synthesis, characterization and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9317","9323","10.1039/c8dt01712c","","","0.71073","MoKα","","0.0325","0.0266","","","0.0609","0.0628","","","","","","1.02","","","","has coordinates","229203","2020-10-21","18:00:00",""
"7046674","30.62","0.002","20.108","0.002","10.6218","0.0008","90","","92.232","0.002","90","","6535","0.9","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C3 H58 Mo12 N8 O61 Re Te2 -","- C3 Mo12 O48 Re Te2 -","- C12 Mo48 O192 Re4 Te8 -","4","0.5","","Zhang, Panpan; Singh, Vikram; Jia, Jiage; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Organometallic functionalized non-classical polyoxometalates: synthesis, characterization and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9317","9323","10.1039/c8dt01712c","","","0.71073","MoKα","","0.041","0.0364","","","0.0985","0.1009","","","","","","1.049","","","","has coordinates","229203","2020-10-21","18:00:00",""
"7046675","14.4066","0.0006","15.0604","0.0006","18.6565","0.0008","76.586","0.002","79.459","0.002","61.663","0.002","3453.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H74 Cl2 N2 O3 P2 Pt2 -","- C79 H70 Cl2 N2 O3 P2 Pt2 -","- C158 H140 Cl4 N4 O6 P4 Pt4 -","2","1","","Solé, Mònica; Balcells, Cristina; Crespo, Margarita; Quirante, Josefina; Badia, Josefa; Baldomà, Laura; Font-Bardia, Mercè; Cascante, Marta","Synthesis, characterization and biological activity of new cyclometallated platinum(iv) complexes containing a para-tolyl ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8956","8971","10.1039/c8dt01124a","","","0.71073","MoKα","","0.0528","0.0313","","","0.0699","0.0763","","","","","","0.982","","","","has coordinates","229325","2020-10-21","18:00:00",""
"7046676","9.1271","","9.1271","","2.4228","","90","","90","","120","","174.789","","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ca1.155 Co O6 -","- Ca12 Co O3 -","- Ca36 Co3 O9 -","3","0.0833333","","Tchitchekova, Deyana S.; Frontera, Carlos; Ponrouch, Alexandre; Krich, Christopher; Bardé, Fanny; Palacín, M Rosa","Electrochemical calcium extraction from 1D-Ca<sub>3</sub>Co<sub>2</sub>O<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11298","11302","10.1039/c8dt01754a","powder diffraction","x-ray","0.63556","","","0.0514","0.0505","","0.0613","0.0612","","","","12.84","","","","","","","has coordinates","229430","2020-10-21","18:00:00",""
"7046677","25.95","0.007","12.133","0.003","17.702","0.004","90","","100.558","0.003","90","","5479","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H74 Cu3 N10 O7 -","- C48 H74 Cu3 N10 O7 -","- C192 H296 Cu12 N40 O28 -","4","0.5","","Das, Avijit; Bhattacharya, Kisholoy; Das, Lakshmi Kanta; Giri, Sanjib; Ghosh, Ashutosh","Mixed azido/phenoxido bridged trinuclear Cu(ii) complexes of Mannich bases: Synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9385","9399","10.1039/c8dt01400k","","","0.71073","MoKα","","0.0632","0.0406","","","0.1168","0.136","","","","","","0.885","","","","has coordinates","229201","2020-10-21","18:00:00",""
"7046678","12.1014","0.0008","15.2651","0.001","15.6289","0.001","69.458","0.002","80.002","0.003","80.362","0.002","2644.7","0.3","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H66 Cu3 N10 O6 -","- C45 H66 Cu3 N10 O6 -","- C90 H132 Cu6 N20 O12 -","2","1","","Das, Avijit; Bhattacharya, Kisholoy; Das, Lakshmi Kanta; Giri, Sanjib; Ghosh, Ashutosh","Mixed azido/phenoxido bridged trinuclear Cu(ii) complexes of Mannich bases: Synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9385","9399","10.1039/c8dt01400k","","","0.71073","MoKα","","0.0629","0.0496","","","0.1045","0.1148","","","","","","1.126","","","","has coordinates,has disorder","229201","2020-10-21","18:00:00",""
"7046679","14.606","0.003","19.878","0.004","19.445","0.004","90","","92.238","0.003","90","","5641","2","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H78 Cu3 N10 O7 -","- C50 H78 Cu3 N10 O7 -","- C200 H312 Cu12 N40 O28 -","4","1","","Das, Avijit; Bhattacharya, Kisholoy; Das, Lakshmi Kanta; Giri, Sanjib; Ghosh, Ashutosh","Mixed azido/phenoxido bridged trinuclear Cu(ii) complexes of Mannich bases: Synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9385","9399","10.1039/c8dt01400k","","","0.71073","MoKα","","0.0841","0.0446","","","0.1035","0.1212","","","","","","0.985","","","","has coordinates,has disorder","229201","2020-10-21","18:00:00",""
"7046680","9.0477","0.0005","10.1518","0.0006","15.4698","0.0009","94.42","0.001","100.197","0.001","115.723","0.001","1240.76","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","iPr2PPrDINi","","","- C22 H46 N2 Ni P2 -","- C22 H46 N2 Ni P2 -","- C44 H92 N4 Ni2 P4 -","2","1","","Rock, Christopher L.; Groy, Thomas L.; Trovitch, Ryan J.","Carbonyl and ester C-O bond hydrosilylation using κ<sup>4</sup>-diimine nickel catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8807","8816","10.1039/c8dt01857j","","","0.71073","MoKα","","0.0462","0.0416","","","0.1037","0.1071","","","","","","1.07","","","","has coordinates","229519","2020-10-21","18:00:00",""
"7046681","13.1585","0.0005","17.2832","0.0007","12.2496","0.0005","90","","91.5308","0.0006","90","","2784.82","0.19","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tBu2PPrDINi","","","- C26 H54 N2 Ni P2 -","- C26 H54 N2 Ni P2 -","- C104 H216 N8 Ni4 P8 -","4","0.5","","Rock, Christopher L.; Groy, Thomas L.; Trovitch, Ryan J.","Carbonyl and ester C-O bond hydrosilylation using κ<sup>4</sup>-diimine nickel catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8807","8816","10.1039/c8dt01857j","","","0.71073","MoKα","","0.0396","0.037","","","0.0937","0.0957","","","","","","1.095","","","","has coordinates","229519","2020-10-21","18:00:00",""
"7046682","13.2268","0.0007","13.8277","0.0008","16.2267","0.001","93.287","0.002","96","0.002","110.135","0.002","2757.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H30 Cl2 F6 O P Rh -","- C27 H30 Cl2 F6 O P Rh -","- C108 H120 Cl8 F24 O4 P4 Rh4 -","4","2","","Talavera, M.; Pereira-Cameselle, R; Bolaño, S","Rhodafuran from a methoxy(alkenyl)carbene by the rhoda-1,3,5-hexatriene route.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9064","9071","10.1039/c8dt01889h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0811","0.0849","","","","","","1.139","","","","has coordinates","229326","2020-10-21","18:00:00",""
"7046683","9.4487","0.0003","11.7589","0.0004","16.0286","0.0005","81.9445","0.0009","88.4356","0.0009","73.0782","0.0011","1686.79","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 F6 O P2 Rh -","- C36 H41 F6 O P2 Rh -","- C72 H82 F12 O2 P4 Rh2 -","2","1","","Talavera, M.; Pereira-Cameselle, R; Bolaño, S","Rhodafuran from a methoxy(alkenyl)carbene by the rhoda-1,3,5-hexatriene route.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9064","9071","10.1039/c8dt01889h","","","1.54178","CuKα","","0.0352","0.0347","","","0.0929","0.0939","","","","","","1.051","","","","has coordinates","229326","2020-10-21","18:00:00",""
"7046684","9.4407","0.0004","14.6818","0.0007","22.4117","0.001","90","","91.6719","0.0014","90","","3105.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 Cl F6 O P2 Rh -","- C29 H38 Cl F6 O P2 Rh -","- C116 H152 Cl4 F24 O4 P8 Rh4 -","4","1","","Talavera, M.; Pereira-Cameselle, R; Bolaño, S","Rhodafuran from a methoxy(alkenyl)carbene by the rhoda-1,3,5-hexatriene route.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9064","9071","10.1039/c8dt01889h","","","1.54178","CuKα","","0.0888","0.0859","","","0.226","0.2271","","","","","","1.197","","","","has coordinates","229326","2020-10-21","18:00:00",""
"7046685","14.1569","0.0003","14.5547","0.0003","24.0923","0.0005","81.922","0.002","85.928","0.002","71.265","0.002","4652.75","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[As4Sn4(Ter)4]*1.5tol","","- C106.5 H112 As4 Sn4 -","- C106.5 H112 As4 Sn4 -","- C213 H224 As8 Sn8 -","2","1","","Hinz, Alexander; Goicoechea, Jose M.","The heterocubane [TerSnAs]<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8879","8883","10.1039/c8dt01993b","","","1.54184","CuKα","","0.0381","0.0336","","","0.0843","0.087","","","","","","1.079","","","","has coordinates,has disorder","229311","2020-10-21","18:00:00",""
"7046686","26.2345","0.0004","18.0987","0.0002","29.6611","0.0004","90","","106.37","0.002","90","","13512.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Na(18-crown-6)2(THF)][P5Sn4(Ter)4]*3C6H6","","- C142 H174 Na O13 P5 Sn4 -","- C142 H174 Na O13 P5 Sn4 -","- C568 H696 Na4 O52 P20 Sn16 -","4","1","","Hinz, Alexander; Goicoechea, Jose M.","The heterocubane [TerSnAs]<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8879","8883","10.1039/c8dt01993b","","","1.54184","CuKα","","0.0752","0.055","","","0.1459","0.1618","","","","","","1.066","","","","has coordinates,has disorder","229311","2020-10-21","18:00:00",""
"7046687","13.6543","0.0002","15.3818","0.0003","42.7159","0.0009","90","","95.234","0.002","90","","8934.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[P4Sn4(Ter)4]*OEt2","","- C100 H110 O P4 Sn4 -","- C100 H110 O P4 Sn4 -","- C400 H440 O4 P16 Sn16 -","4","1","","Hinz, Alexander; Goicoechea, Jose M.","The heterocubane [TerSnAs]<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8879","8883","10.1039/c8dt01993b","","","1.54184","CuKα","","0.0922","0.0734","","","0.1689","0.1765","","","","","","1.107","","","","has coordinates,has disorder","229311","2020-10-21","18:00:00",""
"7046688","14.5008","0.0004","15.6338","0.0004","23.2169","0.0006","89.608","0.002","87.993","0.002","63.64","0.003","4712.9","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Na[P5Sn4(Ter)4(CO)]*1.5tol","","- C107.5 H112 Na O P5 Sn4 -","- C107.5 H112 Na O P5 Sn4 -","- C215 H224 Na2 O2 P10 Sn8 -","2","1","","Hinz, Alexander; Goicoechea, Jose M.","The heterocubane [TerSnAs]<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8879","8883","10.1039/c8dt01993b","","","1.54184","CuKα","","0.075","0.0647","","","0.1642","0.1743","","","","","","1.031","","","","has coordinates,has disorder","229311","2020-10-21","18:00:00",""
"7046689","14.1237","0.0004","14.5696","0.0003","24.1788","0.0004","81.378","0.002","86.14","0.002","71.879","0.002","4674.09","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","[As4Sn4(Ter)4]*1.23hex","","- C103.37 H117.2 As4 Sn4 -","- C103.371 H117.199 As4 Sn4 -","- C206.742 H234.398 As8 Sn8 -","2","1","","Hinz, Alexander; Goicoechea, Jose M.","The heterocubane [TerSnAs]<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8879","8883","10.1039/c8dt01993b","","","1.54184","CuKα","","0.0318","0.0305","","","0.0754","0.0761","","","","","","1.141","","","","has coordinates,has disorder","229311","2020-10-21","18:00:00",""
"7046690","20.2152","0.0004","8.9592","0.0002","15.8327","0.0003","90","","90","","90","","2867.49","0.1","133","2","133","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Co N2 O2 -","- C38 H28 Co N2 O2 -","- C152 H112 Co4 N8 O8 -","4","0.5","","Böhme, Michael; Ziegenbalg, Sven; Aliabadi, Azar; Schnegg, Alexander; Görls, Helmar; Plass, Winfried","Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N<sub>2</sub>O<sub>2</sub>] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10861","10873","10.1039/c8dt01530a","","","0.71073","MoKα","","0.0725","0.0549","","","0.1234","0.1328","","","","","","1.104","","","","has coordinates","229362","2020-10-21","18:00:00",""
"7046691","25.3489","0.0007","8.8126","0.0002","16.0215","0.0003","90","","106.217","0.001","90","","3436.63","0.14","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Co N2 O2 -","- C46 H32 Co N2 O2 -","- C184 H128 Co4 N8 O8 -","4","0.5","","Böhme, Michael; Ziegenbalg, Sven; Aliabadi, Azar; Schnegg, Alexander; Görls, Helmar; Plass, Winfried","Magnetic relaxation in cobalt(ii)-based single-ion magnets influenced by distortion of the pseudotetrahedral [N<sub>2</sub>O<sub>2</sub>] coordination environment.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10861","10873","10.1039/c8dt01530a","","","0.71073","MoKα","","0.0329","0.0303","","","0.0689","0.0705","","","","","","1.078","","","","has coordinates","229362","2020-10-21","18:00:00",""
"7046692","15.2035","0.0017","11.0876","0.0011","15.0618","0.0015","90","","111.081","0.013","90","","2369","0.5","300","0.1","300","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H15 N2 Na O2 S2 -","- C8 H15 N2 Na O2 S2 -","- C64 H120 N16 Na8 O16 S16 -","8","1","","Pettenuzzo, Andrea; Montagner, Diego; McArdle, Patrick; Ronconi, Luca","An innovative and efficient route to the synthesis of metal-based glycoconjugates: proof-of-concept and potential applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10721","10736","10.1039/c8dt01583j","","","0.71073","MoKα","","0.084","0.05","","","0.0873","0.1005","","","","","","1.037","","","","has coordinates","229818","2020-10-21","18:00:00",""
"7046693","8.0665","0.0004","16.5901","0.0011","11.7403","0.0006","90","","102.529","0.005","90","","1533.72","0.15","298","0.1","298","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Au Br2 N O2 S2 -","- C9 H14 Au Br2 N O2 S2 -","- C36 H56 Au4 Br8 N4 O8 S8 -","4","1","","Pettenuzzo, Andrea; Montagner, Diego; McArdle, Patrick; Ronconi, Luca","An innovative and efficient route to the synthesis of metal-based glycoconjugates: proof-of-concept and potential applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10721","10736","10.1039/c8dt01583j","","","0.71073","MoKα","","0.0667","0.0392","","","0.0669","0.0777","","","","","","1.059","","","","has coordinates","229818","2020-10-21","18:00:00",""
"7046694","9.4775","0.0007","10.8781","0.0008","12.1158","0.0009","81.181","0.006","72.125","0.006","81.757","0.006","1168.58","0.16","299","0.2","299","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 N2 O4 S4 Zn -","- C18 H28 N2 O4 S4 Zn -","- C36 H56 N4 O8 S8 Zn2 -","2","1","","Pettenuzzo, Andrea; Montagner, Diego; McArdle, Patrick; Ronconi, Luca","An innovative and efficient route to the synthesis of metal-based glycoconjugates: proof-of-concept and potential applications.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10721","10736","10.1039/c8dt01583j","","","0.71073","MoKα","","0.095","0.047","","","0.0984","0.1211","","","","","","0.857","","","","has coordinates","229818","2020-10-21","18:00:00",""
"7046695","7.6565","0.0003","23.8778","0.0011","7.4531","0.0003","90","","91.8542","0.0016","90","","1361.87","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 Se2 Zn -","- C12 H10 O4 Se2 Zn -","- C48 H40 O16 Se8 Zn4 -","4","1","","Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.","Synthesis of first row transition metal selenomaltol complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9030","9037","10.1039/c8dt01170b","","","0.71073","MoKα","","0.0282","0.0222","","","0.0477","0.0502","","","","","","1.067","","","","has coordinates","229314","2020-10-21","18:00:00",""
"7046696","8.2986","0.0006","24.7783","0.0014","6.9641","0.0005","90","","101.042","0.003","90","","1405.48","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ni O5 Se2 -","- C12 H12 Ni O5 Se2 -","- C48 H48 Ni4 O20 Se8 -","4","1","","Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.","Synthesis of first row transition metal selenomaltol complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9030","9037","10.1039/c8dt01170b","","","0.71073","MoKα","","0.0802","0.0399","","","0.0552","0.0628","","","","","","1.028","","","","has coordinates","229314","2020-10-21","18:00:00",""
"7046697","7.4765","0.0003","13.1079","0.0005","6.9501","0.0002","90","","100.99","0.0013","90","","668.63","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu O4 Se2 -","- C12 H10 Cu O4 Se2 -","- C24 H20 Cu2 O8 Se4 -","2","0.5","","Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.","Synthesis of first row transition metal selenomaltol complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9030","9037","10.1039/c8dt01170b","","","0.71073","MoKα","","0.0218","0.0199","","","0.0489","0.0499","","","","","","1.144","","","","has coordinates","229314","2020-10-21","18:00:00",""
"7046698","14.8261","0.0012","14.8261","0.0012","16.0571","0.0013","90","","90","","120","","3056.7","0.4","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C18 H15 Fe O6 Se3 -","- C18 H15 Fe O6 Se3 -","- C108 H90 Fe6 O36 Se18 -","6","0.333333","","Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.","Synthesis of first row transition metal selenomaltol complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9030","9037","10.1039/c8dt01170b","","","0.71073","MoKα","","0.0195","0.0185","","","0.0404","0.0406","","","","","","1.129","","","","has coordinates","229314","2020-10-21","18:00:00",""
"7046699","19.533","0.002","20.652","0.002","25.774","0.003","96.152","0.002","104.376","0.002","116.764","0.002","8699.6","1.6","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H4 As3 Ce4 K6 N4 O147 W29 -","- C12 H4 As3 Ce4 K6 N4 O147 W29 -","- C24 H8 As6 Ce8 K12 N8 O294 W58 -","2","1","","Niu, Yanjun; Xu, Qiaofei; Wang, Yuan; Li, Zhao; Lu, Jingkun; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Preparation, characterization, and catalytic performances of a pyrazine dicarboxylate-bridging rare-earth-containing polytungstoarsenate aggregate for selective oxidation of thiophenes and deep desulfurization of model fuels.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9677","9684","10.1039/c8dt01243a","","","0.71073","MoKα","","0.1361","0.0709","","","0.1686","0.2079","","","","","","1.001","","","","has coordinates","229183","2020-10-21","18:00:00",""
"7046700","13.25","0.01","14.173","0.011","16.426","0.013","85.88","0.019","71.75","0.019","72.444","0.018","2792","4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H52 Co3 N10 O7 -","- C61 H52 Co3 N10 O7 -","- C122 H104 Co6 N20 O14 -","2","1","","Collet, Alexandra; Craig, Gavin A.; Heras Ojea, María José; Bhaskaran, Lakshmi; Wilson, Claire; Hill, Stephen; Murrie, Mark","Slow magnetic relaxation in a {Co<sup>II</sup>Co} complex containing a high magnetic anisotropy trigonal bipyramidal Co<sup>II</sup> centre.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9237","9240","10.1039/c8dt01997e","","","0.71073","MoKα","","0.0833","0.0473","","","0.0966","0.1108","","","","","","1.064","","","","has coordinates","229196","2020-10-21","18:00:00",""
"7046701","21.118","0.002","21.118","0.002","17.87","0.003","90","","90","","120","","6901.8","1.5","100","2","100.15","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C36 H36 I2 N8 O4 Ru2 -","- C36 H36 I2 N8 O4 Ru2 -","- C216 H216 I12 N48 O24 Ru12 -","6","0.5","","Sengupta, Gargi; Pandey, Pragati; De, Subhabrata; Ramapanicker, Ramesh; Bera, Jitendra K.","A bromo-capped diruthenium(i,i) N-heterocyclic carbene compound for in situ bromine generation with NBS: catalytic olefin aziridination reactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11917","11924","10.1039/c8dt01851k","","","0.71073","MoKα","","0.1292","0.072","","","0.1506","0.1733","","","","","","1.027","","","","has coordinates","229981","2020-10-21","18:00:00",""
"7046702","14.473","","14.473","0.003","17.246","0.003","90","","90","","90","","3612.5","1","150","0.1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 F24 O35 S8 Sm4 -","- C36 H60 F24 O35 S8 Sm4 -","- C72 H120 F48 O70 S16 Sm8 -","2","0.5","","Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory","Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9226","9230","10.1039/c8dt02196a","","","0.71073","MoKα","","0.0837","0.0503","","","0.0923","0.1007","","","","","","0.737","","","","has coordinates,has disorder","229190","2020-10-21","18:00:00",""
"7046703","12.5403","0.0004","12.7821","0.0004","15.8869","0.0005","72.254","0.002","84.907","0.002","65.76","0.001","2209.59","0.12","150","0.1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 F24 O40 S8 Sm4 -","- C50 H80 F24 O40 S8 Sm4 -","- C50 H80 F24 O40 S8 Sm4 -","1","0.5","","Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory","Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9226","9230","10.1039/c8dt02196a","","","0.71069","MoKα","","0.0242","0.0201","","","0.0632","0.0676","","","","","","0.981","","","","has coordinates,has disorder","229190","2020-10-21","18:00:00",""
"7046704","13.0196","0.0008","14.5677","0.0008","15.4211","0.0009","95.673","0.002","114.423","0.002","101.168","0.002","2559.7","0.3","150","0.1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H112 F24 O38 S8 Sm4 -","- C64 H112 F24 O38 S8 Sm4 -","- C64 H112 F24 O38 S8 Sm4 -","1","0.5","","Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory","Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9226","9230","10.1039/c8dt02196a","","","0.71069","MoKα","","0.0536","0.0294","","","0.0622","0.0736","","","","","","1.064","","","","has coordinates,has disorder","229190","2020-10-21","18:00:00",""
"7046705","12.2749","0.0005","12.8852","0.0006","29.6815","0.0012","90","","93.453","0.001","90","","4686","0.3","150","0.1","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 F24 N10 O31 S8 Sm4 -","- C60 H50 F24 N10 O30 S8 Sm4 -","- C120 H100 F48 N20 O60 S16 Sm8 -","2","0.5","","Xémard, Mathieu; Cordier, Marie; Louyriac, Elisa; Maron, Laurent; Clavaguéra, Carine; Nocton, Grégory","Small molecule activation with divalent samarium triflate: a synergistic effort to cleave O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9226","9230","10.1039/c8dt02196a","","","0.71069","MoKα","","0.0589","0.0485","","","0.1205","0.1258","","","","","","1.078","","","","has coordinates,has disorder","229190","2020-10-21","18:00:00",""
"7046706","18.829","0.006","5.768","0.001","6.763","0.001","90","","110.5","0.005","90","","688","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 O4 Pb S -","- C6 H2 O4 Pb S -","- C24 H8 O16 Pb4 S4 -","4","0.5","","He, Jin-Yu; Deng, Zheng-Rong; Liu, Xiao; Qian, Yin; Zou, Yang; Ren, Xiao-Ming","Phosphorescence emission and fine structures observed respectively under ambient conditions and at ca. 55 K in a coordination polymer of lead(ii)-thiophenedicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9334","9340","10.1039/c8dt01951g","","","0.71073","MoKα","","0.0762","0.068","","","0.2338","0.2501","","","","","","1.111","","","","has coordinates","229205","2020-10-21","18:00:00",""
"7046707","16.9207","0.0006","15.7742","0.0006","9.8061","0.0005","90","","90","","90","","2617.35","0.19","120","0.1","120.15","","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C20 H26 Cl2 Fe N6 O8 -","- C20 H26 Cl2 Fe N6 O8 -","- C80 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.1439","0.0871","","","0.2189","0.2644","","","","","","1.039","","","","has coordinates,has disorder","229318","2020-10-21","18:00:00",""
"7046708","9.3602","0.0001","9.3602","0.0001","32.5285","0.0005","90","","90","","90","","2849.93","0.06","220","2","220","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0593","0.0441","","","0.0873","0.0973","","","","","","1.008","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046709","9.2891","0.0001","9.2891","0.0001","31.9712","0.0004","90","","90","","90","","2758.71","0.05","120","2","120","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0354","0.0342","","","0.0837","0.0845","","","","","","1.072","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046710","9.3827","0.0001","9.3827","0.0001","32.7021","0.0006","90","","90","","90","","2878.93","0.07","300","2","300","2","","","","","","","","6","P 43","P 4cw","78","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0839","0.0523","","","0.1077","0.1271","","","","","","1.008","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046711","9.2596","0.0001","9.2596","0.0001","31.6205","0.0007","90","","90","","90","","2711.15","0.07","90","2","90","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0404","0.0368","","","0.074","0.0761","","","","","","1.052","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7046712","21.333","0.005","10.771","0.002","27.313","0.006","90","","106.737","0.004","90","","6010","2","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C106 H90 Dy2 N12 O32 Zn4 -","- C106 H90 Dy2 N12 O32 Zn4 -","- C212 H180 Dy4 N24 O64 Zn8 -","2","1","","Li, Min; Wu, Haipeng; Wei, Qing; Ke, Hongshan; Yin, Bing; Zhang, Sheng; Lv, Xingqiang; Xie, Gang; Chen, Sanping","Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species","Dalton Transactions","2018","","","","","10.1039/C8DT01842A","","","0.71073","MoKα","","0.1004","0.0581","","","0.116","0.1344","","","","","","0.944","","","","has coordinates","208506","2020-10-21","18:00:00",""
"7046713","14.2398","0.0017","14.2398","0.0017","18.844","0.002","90","","90","","90","","3821","0.8","296","2","296.15","","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C32 H38 Dy N4 O18 Zn2 -","- C30 H38 Dy N6 O18 Zn2 -","- C120 H152 Dy4 N24 O72 Zn8 -","4","","","Li, Min; Wu, Haipeng; Wei, Qing; Ke, Hongshan; Yin, Bing; Zhang, Sheng; Lv, Xingqiang; Xie, Gang; Chen, Sanping","Two {ZnII2DyIII} complexes supported by monophenoxido/dicarboxylates bridges with multiple relaxation processes: carboxylato ancillary ligands controlled magnetic anisotropy in square antiprismatic DyIII species","Dalton Transactions","2018","","","","","10.1039/C8DT01842A","","","0.71073","MoKα","","0.0909","0.0552","","","0.1701","0.1956","","","","","","1.03","","","","has coordinates,has disorder","208506","2020-10-21","18:00:00",""
"7046714","11.9684","0.0005","12.1871","0.0005","5.5283","0.0002","90","","90","","90","","806.36","0.06","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- K2 O8 P2 Te -","- K2 O8 P2 Te -","- K8 O32 P8 Te4 -","4","1","","Wen, Ming; Hu, Cong; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","K<sub>2</sub>TeP<sub>2</sub>O<sub>8</sub>: a new telluro-phosphate with a pentagonal Te-P-O layer structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9453","9458","10.1039/c8dt01576g","","","0.71073","MoKα","","0.0315","0.0306","","","0.0701","0.0707","","","","","","0.983","","","","has coordinates","229193","2020-10-21","18:00:00",""
"7046715","24.3739","0.0004","11.5572","0.0001","24.355","0.0004","90","","120.374","0.002","90","","5918.99","0.19","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H82 N4 O6 Yb2 -","- C65 H82 N4 O6 Yb2 -","- C260 H328 N16 O24 Yb8 -","4","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","1.54184","CuKα","","0.0438","0.0394","","","0.1311","0.1374","","","","","","1.273","","","","has coordinates","229331","2020-10-21","18:00:00",""
"7046716","19.3846","0.0005","24.2686","0.0006","10.961","0.0003","90","","96.97","0.002","90","","5118.4","0.2","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H162 N4 Nd2 O6 -","- C110 H162 N4 Nd2 O6 -","- C220 H324 N8 Nd4 O12 -","2","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","1.54184","CuKα","","0.0665","0.0472","","","0.1144","0.1216","","","","","","1.058","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046717","14.9466","0.0002","15.2718","0.0002","20.4709","0.0002","90","","92.996","0.001","90","","4666.33","0.1","150","2","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H158 N4 O6 Sm2 -","- C94 H158 N4 O6 Sm2 -","- C188 H316 N8 O12 Sm4 -","2","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","1.54184","CuKα","","0.0421","0.038","","","0.0982","0.1011","","","","","","1.072","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046718","11.3821","0.0004","20.7041","0.0007","21.4578","0.0008","66.212","0.003","77.27","0.003","87.858","0.003","4505.8","0.3","150","2","149.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C185 H286 N8 O12 Sm4 -","- C185 H286 N8 O12 Sm4 -","- C185 H286 N8 O12 Sm4 -","1","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","0.71073","MoKα","","0.051","0.0323","","","0.0636","0.0711","","","","","","1.024","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046719","24.6223","0.0009","11.6978","0.0003","24.2817","0.0009","90","","119.614","0.005","90","","6080.2","0.5","150","2","150","10","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H90 N4 O6 Sm2 -","- C65 H90 N4 O6 Sm2 -","- C260 H360 N16 O24 Sm8 -","4","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","0.71073","MoKα","","0.0319","0.0262","","","0.0529","0.0551","","","","","","1.127","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046720","18.1468","0.0002","21.0931","0.0002","12.2518","0.0001","90","","105.332","0.001","90","","4522.74","0.08","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C97 H142 N4 O6 Sm2 -","- C97 H142 N4 O6 Sm2 -","- C194 H284 N8 O12 Sm4 -","2","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","1.54184","CuKα","","0.037","0.0314","","","0.0776","0.081","","","","","","1.037","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046721","11.4225","0.001","20.2868","0.0012","21.567","0.0017","65.578","0.007","77.839","0.007","88.124","0.006","4440.1","0.7","150","2","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C185 H286 N8 O12 Yb4 -","- C185 H286 N8 O12 Yb4 -","- C185 H286 N8 O12 Yb4 -","1","0.5","","Beament, James; Kociok-Köhn, Gabriele; Jones, Matthew D.; Buchard, Antoine","Bipyrrolidine salan alkoxide complexes of lanthanides: synthesis, characterisation, activity in the polymerisation of lactide and mechanistic investigation by DOSY NMR.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9164","9172","10.1039/c8dt02108b","","x-ray","1.54184","CuKα","","0.0349","0.0268","","","0.0622","0.0658","","","","","","1.029","","","","has coordinates,has disorder","229331","2020-10-21","18:00:00",""
"7046722","11.1352","0.0004","17.7158","0.0008","23.1421","0.0009","90","","90","","90","","4565.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H69 N O2 Zr -","- C50 H69 N O2 Zr -","- C200 H276 N4 O8 Zr4 -","4","1","","Zhang, Yu; Wang, Xinxin; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Hydrophosphination of alkenes and alkynes with primary phosphines catalyzed by zirconium complexes bearing aminophenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9090","9095","10.1039/c8dt02122h","","","0.71073","MoKα","","0.1054","0.0677","","","0.1567","0.1765","","","","","","1.051","","","","has coordinates","229329","2020-10-21","18:00:00",""
"7046723","7.5535","0.0004","14.0883","0.0007","12.5319","0.0004","90","","96.707","0.004","90","","1324.47","0.11","446","2","446","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 V -","- C12 H10 N2 O6 V -","- C48 H40 N8 O24 V4 -","4","1","","Ni, Lubin; Zhao, Hongxia; Tao, Li; Li, Xing; Zhou, Zhaohui; Sun, Yun; Chen, Chong; Wei, Duo; Liu, Yanqing; Diao, Guowang","Synthesis, in vitro cytotoxicity, and structure-activity relationships (SAR) of multidentate oxidovanadium(iv) complexes as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10035","10045","10.1039/c8dt01778f","","","0.71073","MoKα","","0.082","0.0561","","","0.1097","0.1197","","","","","","1.073","","","","has coordinates","229810","2020-10-21","18:00:00",""
"7046724","8.1624","0.0003","23.3551","0.0008","11.0452","0.0004","90","","106.358","0.004","90","","2020.35","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O10 V -","- C18 H21 N3 O10 V -","- C72 H84 N12 O40 V4 -","4","1","","Ni, Lubin; Zhao, Hongxia; Tao, Li; Li, Xing; Zhou, Zhaohui; Sun, Yun; Chen, Chong; Wei, Duo; Liu, Yanqing; Diao, Guowang","Synthesis, in vitro cytotoxicity, and structure-activity relationships (SAR) of multidentate oxidovanadium(iv) complexes as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10035","10045","10.1039/c8dt01778f","","","0.71073","MoKα","","0.0531","0.0404","","","0.0844","0.0895","","","","","","1.046","","","","has coordinates","229810","2020-10-21","18:00:00",""
"7046725","7.1555","0.0005","19.6759","0.0012","19.8619","0.0013","90","","95.826","0.007","90","","2781.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N5 O9 V -","- C28 H29 N5 O9 V -","- C112 H116 N20 O36 V4 -","4","1","","Ni, Lubin; Zhao, Hongxia; Tao, Li; Li, Xing; Zhou, Zhaohui; Sun, Yun; Chen, Chong; Wei, Duo; Liu, Yanqing; Diao, Guowang","Synthesis, in vitro cytotoxicity, and structure-activity relationships (SAR) of multidentate oxidovanadium(iv) complexes as anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10035","10045","10.1039/c8dt01778f","","","0.71073","MoKα","","0.0887","0.0582","","","0.105","0.1172","","","","","","1.038","","","","has coordinates","229810","2020-10-21","18:00:00",""
"7046726","11.0854","0.001","10.0289","0.0005","11.5267","0.001","90","","99.229","0.008","90","","1264.89","0.17","115","0.1","115","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cu2 N4 O6 -","- C22 H40 Cu2 N4 O6 -","- C44 H80 Cu4 N8 O12 -","2","0.5","","Pousaneh, Elaheh; Korb, Marcus; Dzhagan, Volodymyr; Weber, Marcus; Noll, Julian; Mehring, Michael; Zahn, Dietrich R. T.; Schulz, Stefan E.; Lang, Heinrich","β-Ketoiminato-based copper(ii) complexes as CVD precursors for copper and copper oxide layer formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10002","10016","10.1039/c8dt01647j","","","0.71073","MoKα","","0.0525","0.0367","","","0.0869","0.0943","","","","","","1.04","","","","has coordinates","229815","2020-10-21","18:00:00",""
"7046727","12.9343","0.0007","9.8945","0.0004","13.0557","0.0006","90","","92.231","0.004","90","","1669.58","0.14","115","0.1","115","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H46 Cu2 N4 O7 -","- C32 H46 Cu2 N4 O7 -","- C64 H92 Cu4 N8 O14 -","2","0.5","","Pousaneh, Elaheh; Korb, Marcus; Dzhagan, Volodymyr; Weber, Marcus; Noll, Julian; Mehring, Michael; Zahn, Dietrich R. T.; Schulz, Stefan E.; Lang, Heinrich","β-Ketoiminato-based copper(ii) complexes as CVD precursors for copper and copper oxide layer formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10002","10016","10.1039/c8dt01647j","","","0.71073","MoKα","","0.0397","0.03","","","0.0676","0.0706","","","","","","1.021","","","","has coordinates","229815","2020-10-21","18:00:00",""
"7046728","8.8928","0.0003","7.2198","0.0002","18.5441","0.0006","90","","91.554","0.003","90","","1190.17","0.06","115.5","0.4","115.5","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Cu2 N2 O8 -","- C20 H34 Cu2 N2 O8 -","- C40 H68 Cu4 N4 O16 -","2","0.5","","Pousaneh, Elaheh; Korb, Marcus; Dzhagan, Volodymyr; Weber, Marcus; Noll, Julian; Mehring, Michael; Zahn, Dietrich R. T.; Schulz, Stefan E.; Lang, Heinrich","β-Ketoiminato-based copper(ii) complexes as CVD precursors for copper and copper oxide layer formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10002","10016","10.1039/c8dt01647j","","","0.71073","MoKα","","0.042","0.0296","","","0.0673","0.0715","","","","","","1.072","","","","has coordinates","229815","2020-10-21","18:00:00",""
"7046729","22.4102","0.0019","12.7485","0.0009","11.2535","0.0008","90","","94.524","0.007","90","","3205.1","0.4","116","1","116","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H50 Cu2 N4 O7 -","- C26 H50 Cu2 N4 O7 -","- C104 H200 Cu8 N16 O28 -","4","0.5","","Pousaneh, Elaheh; Korb, Marcus; Dzhagan, Volodymyr; Weber, Marcus; Noll, Julian; Mehring, Michael; Zahn, Dietrich R. T.; Schulz, Stefan E.; Lang, Heinrich","β-Ketoiminato-based copper(ii) complexes as CVD precursors for copper and copper oxide layer formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10002","10016","10.1039/c8dt01647j","","","0.71073","MoKα","","0.0708","0.0452","","","0.0943","0.1033","","","","","","0.957","","","","has coordinates,has disorder","229815","2020-10-21","18:00:00",""
"7046730","23.123","0.002","20.901","0.002","17.9704","0.0017","90","","102.919","0.004","90","","8465.1","1.4","100","","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Cu F6 N3 O4.5 P -","- C42 H56 Cu F6 N3 O4.5 P -","- C336 H448 Cu8 F48 N24 O36 P8 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Lord, Richard L.; Groysman, Stanislav","Cooperative bimetallic reactivity of a heterodinuclear molybdenum-copper model of Mo-Cu CODH.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10017","10024","10.1039/c8dt02323a","","","0.71073","MoKα","","0.0978","0.0461","","","0.0976","0.1126","","","","","","0.9715","","","","has coordinates","229808","2020-10-21","18:00:00",""
"7046731","46.586","0.005","9.6827","0.0007","17.8776","0.0013","90","","90.11","0.006","90","","8064.2","1.2","100","","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H57 N4 O4 W0.5 -","- C44 H55 N4 O4 W0.5 -","- C352 H440 N32 O32 W4 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Lord, Richard L.; Groysman, Stanislav","Cooperative bimetallic reactivity of a heterodinuclear molybdenum-copper model of Mo-Cu CODH.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10017","10024","10.1039/c8dt02323a","","","0.71073","MoKα","","0.118","0.0633","","","0.1434","0.1848","","","","","","1.1605","","","","has coordinates,has disorder","229808","2020-10-21","18:00:00",""
"7046732","16.1435","0.0006","18.7693","0.0007","15.6833","0.0006","90","","90.121","0.002","90","","4752.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Cl4 Mo N4 O6 -","- C46 H64 Cl4 Mo N4 O6 -","- C184 H256 Cl16 Mo4 N16 O24 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Lord, Richard L.; Groysman, Stanislav","Cooperative bimetallic reactivity of a heterodinuclear molybdenum-copper model of Mo-Cu CODH.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10017","10024","10.1039/c8dt02323a","","","0.71073","MoKα","","0.0996","0.0422","","","0.0765","0.0872","","","","","","0.8886","","","","has coordinates","229808","2020-10-21","18:00:00",""
"7046733","7.7921","0.0001","22.0548","0.0003","8.46","0.0001","90","","90","","90","","1453.88","0.03","80","","80","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0263","0.024","","","0.0618","0.0635","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046734","7.9102","0.0002","22.1031","0.0007","8.6003","0.0002","90","","90","","90","","1503.68","0.07","360","","360","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0365","0.0277","","","0.0724","0.0781","","","","","","0.999","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046735","7.7962","0.0001","22.0461","0.0003","8.4718","0.0001","90","","90","","90","","1456.1","0.03","140","","140","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0267","0.0236","","","0.0611","0.0633","","","","","","1","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046736","7.8376","0.0002","22.0576","0.0004","8.5034","0.0002","90","","90","","90","","1470.06","0.06","290","","290","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0319","0.0278","","","0.0738","0.0775","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046737","7.8166","0.0001","22.0478","0.0003","8.4882","0.0001","90","","90","","90","","1462.85","0.03","220","","220","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.029","0.0253","","","0.0669","0.07","","","","","","0.997","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046738","7.9282","0.0002","22.1074","0.0008","8.6031","0.0003","90","","90","","90","","1507.88","0.08","400","","400","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0392","0.0285","","","0.0724","0.0795","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046739","7.8926","0.0002","22.0966","0.0007","8.5875","0.0002","90","","90","","90","","1497.66","0.07","320","","320","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0349","0.027","","","0.0696","0.0754","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046740","7.8494","0.0002","22.0641","0.0004","8.5078","0.0002","90","","90","","90","","1473.47","0.06","320","","320","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.034","0.0282","","","0.0748","0.0796","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046741","7.8675","0.0002","22.0901","0.0006","8.5777","0.0002","90","","90","","90","","1490.75","0.07","260","","260","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0323","0.0257","","","0.0681","0.0726","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046742","7.8547","0.0002","22.0887","0.0006","8.5717","0.0002","90","","90","","90","","1487.19","0.07","220","","220","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0309","0.0256","","","0.0667","0.0704","","","","","","0.999","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046743","7.8811","0.0002","22.0928","0.0006","8.5825","0.0002","90","","90","","90","","1494.35","0.07","290","","290","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0342","0.0271","","","0.072","0.077","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046744","7.8422","0.0002","22.0907","0.0006","8.5634","0.0002","90","","90","","90","","1483.52","0.07","180","","180","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0311","0.0262","","","0.0677","0.0706","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046745","7.9479","0.0003","22.1124","0.0011","8.6127","0.0003","90","","90","","90","","1513.66","0.11","440","","440","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0695","0.0426","","","0.0993","0.1164","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046746","7.8983","0.0002","22.0866","0.0004","8.5326","0.0002","90","","90","","90","","1488.48","0.06","440","","440","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0403","0.032","","","0.0817","0.0883","","","","","","0.996","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046747","7.8265","0.0002","22.099","0.0006","8.5484","0.0002","90","","90","","90","","1478.51","0.07","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0304","0.0268","","","0.0713","0.074","","","","","","0.998","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046748","7.8802","0.0002","22.0783","0.0004","8.5264","0.0002","90","","90","","90","","1483.44","0.06","400","","400","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0365","0.0298","","","0.0777","0.084","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046749","7.8332","0.0001","22.0928","0.0005","8.5556","0.0002","90","","90","","90","","1480.61","0.05","140","","140","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 Co N4 O8 -","- C8 H18 Co N4 O8 -","- C32 H72 Co4 N16 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0302","0.0258","","","0.068","0.0712","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046750","7.8655","0.0002","22.0691","0.0004","8.5179","0.0002","90","","90","","90","","1478.58","0.06","360","","360","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0352","0.0289","","","0.0764","0.0822","","","","","","1.003","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046751","7.8046","0.0001","22.0464","0.0003","8.4805","0.0001","90","","90","","90","","1459.18","0.03","180","","180","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0289","0.0255","","","0.0671","0.0694","","","","","","1.002","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046752","7.8287","0.0001","22.0521","0.0003","8.4976","0.0001","90","","90","","90","","1467.02","0.03","260","","260","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H18 N4 Ni O8 -","- C8 H18 N4 Ni O8 -","- C32 H72 N16 Ni4 O32 -","4","0.5","","Liu, Shu; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Magnetic layered perovskites of [CH<sub>3</sub>C(NH<sub>2</sub>)<sub>2</sub>]<sub>2</sub>[M(HCOO)<sub>4</sub>] (M = Co<sup>2+</sup> and Ni<sup>2+</sup>): synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11925","11933","10.1039/c8dt01729h","","","1.54184","CuKα","","0.0307","0.0268","","","0.0705","0.0741","","","","","","1.004","","","","has coordinates","229974","2020-10-21","18:00:00",""
"7046753","12.7016","0.0005","20.9067","0.001","20.8591","0.0011","90","","96.5309","0.0016","90","","5503.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 Co2 N15 O11 S4 -","- C51 H41 Co2 N15 O11 S4 -","- C204 H164 Co8 N60 O44 S16 -","4","1","","Ngue, Chin-May; Chiu, Ching-Wen; Lee, Gene-Hsiang; Peng, Shie-Ming; Leung, Man-Kit; Yang, Chen-I; Liu, Yen-Hsiang; Lu, Kuang-Lieh","A Co(ii) framework derived from a tris(4-(triazol-1-yl)phenyl)amine redox-active linker: an electrochemical and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9341","9346","10.1039/c8dt01658e","","","0.71073","MoKα","","0.0482","0.0402","","","0.1096","0.1169","","","","","","1.084","","","","has coordinates","229187","2020-10-21","18:00:00",""
"7046754","21.6495","0.0007","7.3556","0.0003","30.0659","0.0009","90","","103.501","0.003","90","","4655.5","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O3 S2 -","- C24 H20 N6 O3 S2 -","- C192 H160 N48 O24 S16 -","8","1","","Kumar, Pramod; Kumar, Vijay; Pandey, Saurabh; Gupta, Rajeev","Detection of sulfide ion and gaseous H<sub>2</sub>S using a series of pyridine-2,6-dicarboxamide based scaffolds.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9536","9545","10.1039/c8dt01351a","","","0.71073","MoKα","","0.0537","0.0433","","","0.1032","0.1093","","","","","","1.068","","","","has coordinates,has disorder","229194","2020-10-21","18:00:00",""
"7046755","15.2121","0.0002","14.6908","0.0002","19.0206","0.0004","90","","105.618","0.002","90","","4093.74","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 Fe2 I2 -","- C41 H66 Fe2 I2 -","- C164 H264 Fe8 I8 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","0.71073","MoKα","","0.033","0.024","","","0.0467","0.0499","","","","","","1.074","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046756","17.5073","0.0006","16.853","0.0006","19.125","0.0006","90","","90","","90","","5642.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H51 Fe Si2 -","- C25 H51 Fe Si2 -","- C200 H408 Fe8 Si16 -","8","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","0.71073","MoKα","","0.0955","0.0502","","","0.0866","0.0977","","","","","","1.017","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046757","9.64934","0.00015","15.7931","0.0002","12.94716","0.00016","90","","92.1917","0.0012","90","","1971.61","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 Fe2 -","- C46 H70 Fe2 -","- C92 H140 Fe4 -","2","0.5","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","1.54184","CuKα","","0.0298","0.029","","","0.0736","0.0741","","","","","","1.044","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046758","12.4512","0.0002","17.0538","0.0002","18.7165","0.0002","90","","90","","90","","3974.27","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Fe I2 -","- C17 H29 Fe I2 -","- C136 H232 Fe8 I16 -","8","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","0.71073","MoKα","","0.0257","0.016","","","0.0319","0.0326","","","","","","0.927","","","","has coordinates","229846","2020-10-21","18:00:00",""
"7046759","10.619","0.0002","12.422","0.0003","18.3035","0.0004","90","","92.067","0.002","90","","2412.83","0.09","100","0.1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 F6 Fe Sb -","- C23 H35 F6 Fe Sb -","- C92 H140 F24 Fe4 Sb4 -","4","1","","Reiners, Matthias; Maekawa, Miyuki; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Daniliuc, Constantin G.; Freytag, Matthias; Raeder, Jan; Hohenberger, Johannes; Sutter, Jörg; Meyer, Karsten; Walter, Marc D.","Monomeric Fe(iii) half-sandwich complexes [Cp'FeX<sub>2</sub>] - synthesis, properties and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10517","10526","10.1039/c8dt01570h","","","1.54184","CuKα","","0.0568","0.0497","","","0.1316","0.1353","","","","","","1.039","","","","has coordinates,has disorder","229846","2020-10-21","18:00:00",""
"7046760","17.0886","0.0005","17.0886","0.0005","15.0638","0.0005","90","","90","","90","","4398.9","0.2","150","2","150","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C83 H118 Cl Co4 N15 O15 S4 -","- C64 H72 Cl Co4 N9 O8 S4 -","- C128 H144 Cl2 Co8 N18 O16 S8 -","2","0.25","","Geng, Dantong; Zhang, Min; Hang, Xinxin; Xie, Wenjie; Qin, Yucai; Li, Qiang; Bi, Yanfeng; Zheng, Zhiping","A 2D metal-thiacalix[4]arene porous coordination polymer with 1D channels: gas absorption/separation and frequency response.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9008","9013","10.1039/c8dt02089b","","","0.71073","MoKα","","0.047","0.0377","","","0.1013","0.1061","","","","","","1.078","","","","has coordinates,has disorder","229332","2020-10-21","18:00:00",""
"7046761","8.7239","0.0002","13.9878","0.0004","14.5801","0.0004","98.608","0.002","100.911","0.001","104.096","0.001","1658.23","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H74 Mn2 N6 O10 Si2 -","- C64 H74 Mn2 N6 O10 Si2 -","- C64 H74 Mn2 N6 O10 Si2 -","1","0.5","","Gupta, Vijay; Mandal, Sanjay K.","Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9742","9754","10.1039/c8dt01367e","","","0.71073","MoKα","","0.035","0.0301","","","0.0805","0.0849","","","","","","1.026","","","","has coordinates","229182","2020-10-21","18:00:00",""
"7046762","9.061","0.003","9.991","0.003","17.405","0.005","73.892","0.004","87.146","0.004","63.605","0.004","1351","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Mn2 N6 O12 -","- C60 H62 Mn2 N6 O12 -","- C60 H62 Mn2 N6 O12 -","1","0.5","","Gupta, Vijay; Mandal, Sanjay K.","Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9742","9754","10.1039/c8dt01367e","","","0.71073","MoKα","","0.0423","0.034","","","0.0801","0.0908","","","","","","1.066","","","","has coordinates","229182","2020-10-21","18:00:00",""
"7046763","9.2466","0.0016","10.1167","0.0018","17.518","0.003","73.518","0.002","86.683","0.002","63.544","0.002","1402.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Cd2 N6 O12 -","- C60 H62 Cd2 N6 O12 -","- C60 H62 Cd2 N6 O12 -","1","0.5","","Gupta, Vijay; Mandal, Sanjay K.","Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9742","9754","10.1039/c8dt01367e","","","0.71073","MoKα","","0.0291","0.0254","","","0.0767","0.0854","","","","","","1.121","","","","has coordinates","229182","2020-10-21","18:00:00",""
"7046764","8.2227","0.001","13.2417","0.0017","13.6655","0.0018","98.98","0.002","102.437","0.002","104.636","0.002","1370.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H74 Cd2 N6 O10 Si2 -","- C64 H74 Cd2 N6 O10 Si2 -","- C64 H74 Cd2 N6 O10 Si2 -","1","0.5","","Gupta, Vijay; Mandal, Sanjay K.","Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9742","9754","10.1039/c8dt01367e","","","0.71073","MoKα","","0.0452","0.0347","","","0.0739","0.0777","","","","","","1.09","","","","has coordinates","229182","2020-10-21","18:00:00",""
"7046765","9.02","0.004","10.05","0.005","17.55","0.01","73.38","0.006","87.618","0.008","63.571","0.005","1358.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 N6 O12 Zn2 -","- C60 H62 N6 O12 Zn2 -","- C60 H62 N6 O12 Zn2 -","1","0.5","","Gupta, Vijay; Mandal, Sanjay K.","Coordination driven self-assembly of [2 + 2 + 2] molecular squares: synthesis, crystal structures, catalytic and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9742","9754","10.1039/c8dt01367e","","","0.71073","MoKα","","0.0416","0.0385","","","0.115","0.1211","","","","","","1.124","","","","has coordinates","229182","2020-10-21","18:00:00",""
"7046766","14.911","0.003","16.531","0.003","19.012","0.004","100.59","0.03","110.42","0.03","93.96","0.03","4271.7","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H35 Cl2 Mn2 N4 O7.25 -","- C40 H35 Cl2 Mn2 N4 O7.25 -","- C160 H140 Cl8 Mn8 N16 O29 -","4","2","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71079","synchrotron","","0.1408","0.0863","","","0.2299","0.2747","","","","","","1.027","","","","has coordinates,has disorder","229985","2020-10-21","18:00:00",""
"7046767","13.3895","0.0012","13.4068","0.0011","14.0228","0.0011","102.762","0.004","98.43","0.004","118.206","0.004","2069.2","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H36 Mn2 N8 O11 -","- C40 H36 Mn2 N8 O11 -","- C80 H72 Mn4 N16 O22 -","2","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.0805","0.0485","","","0.1103","0.1265","","","","","","0.986","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046768","11.003","0.002","35.389","0.007","21.596","0.004","90","","98.85","0.03","90","","8309","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 F10 Mn2 N7 O13 -","- C36 H23 F10 Mn2 N7 O13 -","- C288 H184 F80 Mn16 N56 O104 -","8","2","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.1282","0.0977","","","0.2085","0.2223","","","","","","1.159","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046769","17.7484","0.0012","22.1971","0.0013","10.0271","0.0008","90","","104.886","0.002","90","","3817.7","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br2 Mn2 N6 O12 -","- C34 H26 Br2 Mn2 N6 O12 -","- C136 H104 Br8 Mn8 N24 O48 -","4","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.1338","0.0712","","","0.1515","0.1719","","","","","","1.08","","","","has coordinates,has disorder","229985","2020-10-21","18:00:00",""
"7046770","16.1214","0.0005","29.3047","0.0009","9.5424","0.0003","90","","92.448","0.001","90","","4504","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl2 Mn2 N10 O5 -","- C44 H36 Cl2 Mn2 N10 O5 -","- C176 H144 Cl8 Mn8 N40 O20 -","4","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.0564","0.0422","","","0.0985","0.1062","","","","","","1.068","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046771","35.1308","0.0013","9.947","0.0003","20.8627","0.0009","90","","100.602","0.001","90","","7165.9","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Mn2 N8 O15.5 -","- C34 H25 Mn2 N8 O15.5 -","- C272 H200 Mn16 N64 O124 -","8","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.1039","0.0519","","","0.1089","0.1284","","","","","","1.006","","","","has coordinates,has disorder","229985","2020-10-21","18:00:00",""
"7046772","16.2539","0.001","25.9567","0.0017","9.5595","0.0005","90","","101.585","0.003","90","","3951","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Mn2 N10 O5 -","- C34 H26 Mn2 N10 O5 -","- C136 H104 Mn8 N40 O20 -","4","0.5","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.1163","0.0589","","","0.1473","0.175","","","","","","1.003","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046773","23.5022","0.0018","36.337","0.003","10.6262","0.0007","90","","110.52","0.002","90","","8499","1.1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Mn2 N10 O13 -","- C40 H34 Mn2 N10 O13 -","- C320 H272 Mn16 N80 O104 -","8","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.0738","0.045","","","0.0941","0.1063","","","","","","1.019","","","","has coordinates,has disorder","229985","2020-10-21","18:00:00",""
"7046774","11.1015","0.0007","21.314","0.0014","16.8311","0.001","90","","94.581","0.003","90","","3969.8","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cl2 Mn2 N4 O6 -","- C30 H34 Cl2 Mn2 N4 O6 -","- C120 H136 Cl8 Mn8 N16 O24 -","4","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.1413","0.0647","","","0.1679","0.208","","","","","","0.961","","","","has coordinates,has disorder","229985","2020-10-21","18:00:00",""
"7046775","35.1374","0.0005","10.0176","0.0002","20.7404","0.0003","90","","96.767","0.001","90","","7249.6","0.2","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H26 Mn2 N8 O12 -","- C36 H26 Mn2 N8 O12 -","- C288 H208 Mn16 N64 O96 -","8","2","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","1.54184","CuKα","","0.0386","0.0379","","","0.0995","0.1011","","","","","","1.044","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046776","10.199","0.002","25.127","0.005","16.301","0.003","90","","99.93","0.03","90","","4114.9","1.4","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H22 Cl2 F4 Mn2 N4 O5 -","- C34 H22 Cl2 F4 Mn2 N4 O5 -","- C136 H88 Cl8 F16 Mn8 N16 O20 -","4","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","0.71073","MoKα","","0.055","0.0467","","","0.1281","0.1342","","","","","","1.038","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046777","23.5015","0.0002","23.5015","0.0002","15.9233","0.0002","90","","90","","90","","8794.77","0.15","123","2","123","2","","","","","","","","7","I -4","I -4","82","","","","- C38 H32 Cl2 F4 Mn2 N4 O14 -","- C38 H32 Cl2 F4 Mn2 N4 O14 -","- C304 H256 Cl16 F32 Mn16 N32 O112 -","8","1","","Vignesh, Kuduva R.; Langley, Stuart K.; Gartshore, Christopher J.; Borilović, Ivana; Forsyth, Craig M.; Rajaraman, Gopalan; Murray, Keith S.","Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11820","11833","10.1039/c8dt01410h","","","1.54184","CuKα","","0.0725","0.0622","","","0.1799","0.1926","","","","","","1.03","","","","has coordinates","229985","2020-10-21","18:00:00",""
"7046778","15.881","0.002","15.881","0.002","10.323","0.002","90","","90","","120","","2254.7","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 Nd O8 -","- C42 H60.9996 N4 Nd O8 -","- C84 H121.999 N8 Nd2 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0314","0.0276","","","0.0685","0.0722","","","","","","1.055","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046779","15.815","0.002","15.815","0.002","10.364","0.002","90","","90","","120","","2244.9","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Eu N4 O8 -","- C42 H60.9996 Eu N4 O8 -","- C84 H121.999 Eu2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0309","0.0271","","","0.0666","0.0706","","","","","","1.068","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046780","15.723","0.002","15.723","0.002","10.448","0.002","90","","90","","120","","2236.8","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 O8 Yb -","- C42 H60.9996 N4 O8 Yb -","- C84 H121.999 N8 O16 Yb2 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0422","0.0358","","","0.0781","0.0823","","","","","","1.066","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046781","15.718","0.002","15.718","0.002","10.432","0.002","90","","90","","120","","2232","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Er N4 O8 -","- C42 H60.9996 Er N4 O8 -","- C84 H121.999 Er2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0344","0.0303","","","0.0752","0.08","","","","","","1.074","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046782","15.719","0.002","15.719","0.002","10.477","0.002","90","","90","","120","","2241.9","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 Lu N4 O8 -","- C42 H60.9996 Lu N4 O8 -","- C84 H121.999 Lu2 N8 O16 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0232","0.0205","","","0.0509","0.0533","","","","","","1.118","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046783","15.772","0.002","15.772","0.002","10.385","0.002","90","","90","","120","","2237.2","0.6","200","","200","","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C42 H61 N4 O8 Tb -","- C42 H60.9996 N4 O8 Tb -","- C84 H121.999 N8 O16 Tb2 -","2","0.333333","","Molloy, Jennifer K.; Philouze, Christian; Fedele, Lionel; Imbert, Daniel; Jarjayes, Olivier; Thomas, Fabrice","Seven-coordinate lanthanide complexes with a tripodal redox active ligand: structural, electrochemical and spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10742","10751","10.1039/c8dt01165f","","x-ray","0.71073","MoKα","","0.0355","0.0275","","","0.0581","0.0622","","","","","","1.119","","","","has coordinates,has disorder","229827","2020-10-21","18:00:00",""
"7046784","10.5591","0.0017","14.491","0.002","15.58","0.002","90.353","0.0008","108.297","0.002","103.671","0.003","2190.9","0.5","116","","116","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H36 Cl12 F16 N4 O16 Ru4 -","- C74 H32 Cl12 F16 N4 O16 Ru4 -","- C74 H32 Cl12 F16 N4 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Liu, Zhaoyuan; Miyasaka, Hitoshi","Layered ferrimagnets constructed from charge-transferred paddlewheel [Ru<sub>2</sub>] units and TCNQ derivatives: the importance of interlayer translational distance in determining magnetic ground state.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11760","11768","10.1039/c8dt01566j","","","0.71075","MoKα","","0.0531","0.0421","","","0.103","0.1105","","","","","","1.046","","","","has coordinates","229975","2020-10-21","18:00:00",""
"7046785","10.537","0.003","14.504","0.005","15.711","0.005","91.729","0.018","110.86","0.016","103.26","0.02","2167.3","1.2","116","","116","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H36 Cl4 F16 N4 O16 Ru4 -","- C72 H36 Cl4 F16 N4 O16 Ru4 -","- C72 H36 Cl4 F16 N4 O16 Ru4 -","1","0.5","","Kosaka, Wataru; Liu, Zhaoyuan; Miyasaka, Hitoshi","Layered ferrimagnets constructed from charge-transferred paddlewheel [Ru<sub>2</sub>] units and TCNQ derivatives: the importance of interlayer translational distance in determining magnetic ground state.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11760","11768","10.1039/c8dt01566j","","","0.71075","MoKα","","0.1085","0.0894","","","0.2424","0.2627","","","","","","1.044","","","","has coordinates","229975","2020-10-21","18:00:00",""
"7046786","25.966","0.004","18.386","0.003","21.682","0.004","90","","122.935","0.0018","90","","8688","3","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H44 Cl8 F16 N4 O18 Ru4 -","- C76 H36 Cl8 F16 N4 O18 Ru4 -","- C304 H144 Cl32 F64 N16 O72 Ru16 -","4","0.5","","Kosaka, Wataru; Liu, Zhaoyuan; Miyasaka, Hitoshi","Layered ferrimagnets constructed from charge-transferred paddlewheel [Ru<sub>2</sub>] units and TCNQ derivatives: the importance of interlayer translational distance in determining magnetic ground state.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11760","11768","10.1039/c8dt01566j","","","0.71075","MoKα","","0.0823","0.0656","","","0.1793","0.1955","","","","","","1.088","","","","has coordinates","229975","2020-10-21","18:00:00",""
"7046787","17.427","0.0002","22.7852","0.0008","25.235","0.0007","90","","90","","90","","10020.3","0.5","298","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H19 N3 O26 Zn4 -","- C45 H19 N2 O26 Zn4 -","- C180 H76 N8 O104 Zn16 -","4","1","","Ma, Aiqing; Wu, Jian; Han, Yutong; Chen, Fuming; Li, Baohong; Cai, Shaoge; Huang, Hui; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","Rational synthesis of a luminescent uncommon (3,4,6)-c connected Zn(ii) MOF: a dual channel sensor for the detection of nitroaromatics and ferric ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9627","9633","10.1039/c8dt01923a","","","1.54184","CuKα","","0.077","0.0479","","","0.1168","0.1322","","","","","","1.094","","","","has coordinates","229167","2020-10-21","18:00:00",""
"7046788","6.0825","0.0009","7.0656","0.0011","40.788","0.006","90","","90","","90","","1752.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Williams, Cody; Ferreira, Michel; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Synthesis and hydroformylation evaluation of Fréchet-type organometallic dendrons with N,O-salicylaldimine Rh(i) complexes at the focal point.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9418","9429","10.1039/c8dt01874j","","","0.71073","MoKα","","0.035","0.0327","","","0.0823","0.0836","","","","","","1.042","","","","has coordinates","229188","2020-10-21","18:00:00",""
"7046789","11.1388","0.0015","18.327","0.002","12.3562","0.0017","90","","102.026","0.003","90","","2467","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N O4 Rh -","- C30 H30 N O4 Rh -","- C120 H120 N4 O16 Rh4 -","4","1","","Williams, Cody; Ferreira, Michel; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Synthesis and hydroformylation evaluation of Fréchet-type organometallic dendrons with N,O-salicylaldimine Rh(i) complexes at the focal point.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9418","9429","10.1039/c8dt01874j","","","0.71073","MoKα","","0.0484","0.0356","","","0.0804","0.0872","","","","","","1.046","","","","has coordinates","229188","2020-10-21","18:00:00",""
"7046790","17.7573","0.0017","10.5493","0.001","24.617","0.002","90","","109.528","0.002","90","","4346.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N O6 Rh -","- C24 H18 N O6 Rh -","- C192 H144 N8 O48 Rh8 -","8","2","","Williams, Cody; Ferreira, Michel; Monflier, Eric; Mapolie, Selwyn F.; Smith, Gregory S.","Synthesis and hydroformylation evaluation of Fréchet-type organometallic dendrons with N,O-salicylaldimine Rh(i) complexes at the focal point.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9418","9429","10.1039/c8dt01874j","","","0.71073","MoKα","","0.0647","0.0404","","","0.09","0.1012","","","","","","1.023","","","","has coordinates","229188","2020-10-21","18:00:00",""
"7046791","19.3861","0.0008","17.6799","0.0004","23.8394","0.0007","90","","108.5","0.004","90","","7748.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H59 F24 Fe N2 S4 -","- C72 H59 F24 Fe N2 S4 -","- C288 H236 F96 Fe4 N8 S16 -","4","1","","Robles-Marín, Elvis; Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Flores-Alamo, Marcos; Castillo, Ivan","Easily reduced bis-pincer (NS<sub>2</sub>)<sub>2</sub>molybdenum(iv) to (NHS<sub>2</sub>)<sub>2</sub>Mo(ii) by alcohols vs. redox-inert (NS<sub>2</sub>)(NHS<sub>2</sub>)iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10932","10940","10.1039/c8dt01562g","","","0.71073","MoKα","","0.0876","0.0611","","","0.1477","0.1676","","","","","","1.023","","","","has coordinates,has disorder","229376","2020-10-21","18:00:00",""
"7046792","10.7875","0.0005","13.7818","0.0007","23.5674","0.001","90","","97.138","0.004","90","","3476.6","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H58 F24 Mo N2 S4 -","- C72 H58 F24 Mo N2 S4 -","- C144 H116 F48 Mo2 N4 S8 -","2","0.5","","Robles-Marín, Elvis; Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Flores-Alamo, Marcos; Castillo, Ivan","Easily reduced bis-pincer (NS<sub>2</sub>)<sub>2</sub>molybdenum(iv) to (NHS<sub>2</sub>)<sub>2</sub>Mo(ii) by alcohols vs. redox-inert (NS<sub>2</sub>)(NHS<sub>2</sub>)iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10932","10940","10.1039/c8dt01562g","","","0.71073","MoKα","","0.1019","0.0792","","","0.2153","0.2395","","","","","","1.05","","","","has coordinates,has disorder","229376","2020-10-21","18:00:00",""
"7046793","14.936","0.002","31.764","0.003","19.023","0.002","90","","110.286","0.014","90","","8465.2","1.8","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 F24 Mo N2 S4 -","- C72 H60 F24 Mo N2 S4 -","- C288 H240 F96 Mo4 N8 S16 -","4","0.5","","Robles-Marín, Elvis; Mondragón, Alexander; Martínez-Alanis, Paulina R; Aullón, Gabriel; Flores-Alamo, Marcos; Castillo, Ivan","Easily reduced bis-pincer (NS<sub>2</sub>)<sub>2</sub>molybdenum(iv) to (NHS<sub>2</sub>)<sub>2</sub>Mo(ii) by alcohols vs. redox-inert (NS<sub>2</sub>)(NHS<sub>2</sub>)iron(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10932","10940","10.1039/c8dt01562g","","","0.71073","MoKα","","0.194","0.1136","","","0.2934","0.3413","","","","","","0.897","","","","has coordinates,has disorder","229376","2020-10-21","18:00:00",""
"7046794","12.5822","0.0005","18.3349","0.0006","8.7335","0.0003","90","","104.582","0.002","90","","1949.86","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LaCl(Tz(OCH2CO2)2)(DMF)2","","","- C12 H18 Cl La N6 O8 -","- C12 H18 Cl La N6 O8 -","- C48 H72 Cl4 La4 N24 O32 -","4","1","","Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas","Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10715","10720","10.1039/c8dt01268g","","","0.71073","MoKα","","0.1369","0.0594","","","0.0887","0.1129","","","","","","1.012","","","","has coordinates","229843","2020-10-21","18:00:00",""
"7046795","8.443","0.005","10.802","0.006","11.764","0.008","64.44","0.02","84.15","0.03","89.13","0.04","962.4","1","149","2","149","2","","","","","","","","6","P -1","-P 1","2","TbCl(Tz(OCH2CO2)2)(C3H7NO)2","","","- C12 H18 Cl N6 O8 Tb -","- C12 H18 Cl N6 O8 Tb -","- C24 H36 Cl2 N12 O16 Tb2 -","2","1","","Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas","Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10715","10720","10.1039/c8dt01268g","","","0.71073","MoKα","","0.2253","0.1032","","","0.2093","0.2674","","","","","","0.949","","","","has coordinates","229843","2020-10-21","18:00:00",""
"7046796","4.6883","0.0002","10.7516","0.0005","8.7635","0.0004","90","","95.497","0.003","90","","439.71","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","H2OTz","","","- C6 H6 N4 O6 -","- C6 H6 N4 O6 -","- C12 H12 N8 O12 -","2","0.5","","Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas","Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10715","10720","10.1039/c8dt01268g","","","0.71073","MoKα","","0.0617","0.0453","","","0.1337","0.1479","","","","","","1.088","","","","has coordinates","229843","2020-10-21","18:00:00",""
"7046797","10.177","0.003","11.787","0.004","12.028","0.003","113.632","0.013","92.422","0.017","102.029","0.014","1280","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Tb(Tz(OCH2CO2)2)1.5(DMF)2","","","- C15 H20 N8 O11 Tb -","- C15 H20 N8 O11 Tb -","- C30 H40 N16 O22 Tb2 -","2","1","","Rouschmeyer, Paul; Guillou, Nathalie; Serre, Christian; Clavier, Gilles; Allain, Clémence; Devic, Thomas","Coordination polymers built up from an s-tetrazine derived ligand and rare-earth ions: from a sequential dimensional expansion to organic-inorganic energy transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10715","10720","10.1039/c8dt01268g","","","0.71073","MoKα","","0.1786","0.0603","","","0.1053","0.1403","","","","","","0.845","","","","has coordinates","229843","2020-10-21","18:00:00",""
"7046798","12.21","0.002","17.004","0.003","12.728","0.003","90","","93.36","0.03","90","","2638","0.9","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 Cl2 Cu2 F12 N14 Sb2 -","- C36 H60 Cl2 Cu2 F12 N14 Sb2 -","- C72 H120 Cl4 Cu4 F24 N28 Sb4 -","2","0.5","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","","0.71073","MoKα","","0.0759","0.0396","","","0.0861","0.1003","","","","","","1.014","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7046799","11.12549","0.00013","22.2307","0.0003","21.9849","0.0003","90","","90","","90","","5437.47","0.12","120","1","120","1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H60 Cl2 Cu2 F12 N14 Sb2 -","- C40 H60 Cl2 Cu2 F12 N14 Sb2 -","- C160 H240 Cl8 Cu8 F48 N56 Sb8 -","4","0.5","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","x-ray","0.71073","MoKα","","0.0558","0.0371","","","0.0798","0.0864","","","","","","1.044","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7046800","16.08984","0.00016","18.88601","0.00013","15.90472","0.00014","90","","90","","90","","4833.01","0.07","120","1","120","1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C30 H56 Cl2 Cu2 F12 N14 Sb2 -","- C30 H56 Cl2 Cu2 F12 N14 Sb2 -","- C120 H224 Cl8 Cu8 F48 N56 Sb8 -","4","0.5","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","x-ray","0.71073","MoKα","","0.0562","0.0454","","","0.1026","0.1077","","","","","","1.041","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7046801","10.6115","0.0004","11.2052","0.0004","12.3212","0.0006","69.734","0.004","89.956","0.003","82.315","0.003","1360.37","0.1","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl2 Cu N8 O -","- C24 H34 Cl2 Cu N8 O -","- C48 H68 Cl4 Cu2 N16 O2 -","2","1","","Ziesak, Alexandra; Steuer, Lena; Kaifer, Elisabeth; Wagner, Norbert; Beck, Johannes; Wadepohl, Hubert; Himmel, Hans-Jörg","Intramolecular metal-ligand electron transfer triggered by co-ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9430","9441","10.1039/c8dt01234b","","x-ray","1.54184","CuKα","","0.0644","0.0515","","","0.1353","0.1438","","","","","","1.07","","","","has coordinates","229208","2020-10-21","18:00:00",""
"7046802","8.6122","0.0012","21.655","0.003","12.1405","0.0016","90","","90.039","0.002","90","","2264.2","0.5","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Al N2 O2 -","- C23 H31 Al N2 O2 -","- C92 H124 Al4 N8 O8 -","4","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0589","0.0415","","","0.0866","0.0931","","","","","","1.033","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046803","11.4917","0.0002","11.5","0.0002","17.1243","0.0003","72.716","0.001","77.589","0.001","64.875","0.001","1946.07","0.06","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 N4 O4 Zn -","- C42 H50 N4 O4 Zn -","- C84 H100 N8 O8 Zn2 -","2","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0539","0.0376","","","0.0887","0.0961","","","","","","1.041","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046804","23.757","0.004","7.5454","0.0011","21.366","0.003","90","","93.621","0.002","90","","3822.3","1","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 N4 -","- C21 H28 N4 -","- C168 H224 N32 -","8","2","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0748","0.046","","","0.1043","0.1182","","","","","","1.022","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046805","7.8526","0.0014","10.4721","0.0018","13.253","0.002","112.609","0.002","93.693","0.002","101.864","0.002","972.1","0.3","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C42 H52 N4 O4 -","2","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0589","0.0417","","","0.0966","0.1058","","","","","","1.038","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046806","9.7606","0.0009","10.5377","0.001","11.5641","0.0011","96.685","0.001","103.886","0.001","98.218","0.001","1128.65","0.18","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N2 O4 Rh -","- C23 H25 N2 O4 Rh -","- C46 H50 N4 O8 Rh2 -","2","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0234","0.0205","","","0.0497","0.0513","","","","","","1.032","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046807","17.462","0.002","10.8487","0.0014","21.572","0.003","90","","105.377","0.001","90","","3940.3","0.9","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H54 N8 Zn -","- C42 H54 N8 Zn -","- C168 H216 N32 Zn4 -","4","0.5","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0478","0.035","","","0.0791","0.085","","","","","","1.019","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046808","15.376","0.005","14.622","0.005","20.208","0.006","90","","90","","90","","4543","3","125","2","125","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 N4 O2 Rh -","- C23 H27 N4 O2 Rh -","- C184 H216 N32 O16 Rh8 -","8","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0399","0.0252","","","0.0549","0.0606","","","","","","1.014","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046809","17.128","0.002","8.9959","0.001","17.166","0.002","90","","118.633","0.002","90","","2321.5","0.5","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 Al N4 -","- C23 H33 Al N4 -","- C92 H132 Al4 N16 -","4","1","","Land, Michael A.; Huo, Bright; Robertson, Katherine N.; Ylijoki, Kai E. O.; Lee, Peter T. K.; Areephong, Jetsuda; Vidović, Dragoslav; Clyburne, Jason A. C.","Coordination, reactivity, and structural properties of electron-rich ethoxy- and dimethylamino-substituted 1,3-diketiminate ligands and their complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10195","10205","10.1039/c8dt01875h","","","0.71073","MoKα","","0.0518","0.0424","","","0.1083","0.116","","","","","","1.042","","","","has coordinates","229807","2020-10-21","18:00:00",""
"7046810","11.0822","0.0011","13.2591","0.0012","14.8802","0.0014","90.661","0.004","106.424","0.004","104.87","0.004","2018.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H47 N Si -","- C53 H47 N Si -","- C106 H94 N2 Si2 -","2","1","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.71073","MoKα","","0.1094","0.0562","","","0.1192","0.1417","","","","","","1.014","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7046811","16.6188","0.0008","11.5082","0.0006","21.427","0.001","90","","94.766","0.005","90","","4083.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 N2 O Yb -","- C46 H64 N2 O Yb -","- C184 H256 N8 O4 Yb4 -","4","0.5","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.7109","Synchrotron","","0.0267","0.0245","","","0.0542","0.0554","","","","","","1.066","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7046812","10.389","0.002","21.553","0.004","22.714","0.005","90","","92.37","0.03","90","","5081.6","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Ca N O2 Si -","- C64 H64 Ca N O2 Si -","- C256 H256 Ca4 N4 O8 Si4 -","4","1","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.7109","Synchrotron","","0.0737","0.0515","","","0.1241","0.1354","","","","","","1.047","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7046813","12.009","0.002","14.686","0.003","21.476","0.004","90","","95.8","0.03","90","","3768.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H100 B2 N6 Si2 Yb2 -","- C88 H100 B2 N6 Si2 Yb2 -","- C176 H200 B4 N12 Si4 Yb4 -","2","0.5","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.7109","Synchrotron","","0.034","0.0314","","","0.078","0.0792","","","","","","1.069","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7046814","7.687","0.0015","18.84","0.004","4.189","0.0008","90","","90","","90","","606.7","0.2","100","","100","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Br2 O2 Yb -","- C8 H16 Br2 O2 Yb -","- C16 H32 Br4 O4 Yb2 -","2","0.25","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","x-ray","0.7109","synchrotron","","0.0413","0.0388","","","0.0942","0.0955","","","","","","1.068","","","","has coordinates","229197","2020-10-21","18:00:00",""
"7046815","9.7676","0.0007","13.1133","0.001","14.972","0.0012","90.368","0.004","106.621","0.004","91.77","0.004","1836.5","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H96 Eu2 I2 N2 O2 Si2 -","- C84 H96 Eu2 I2 N2 O2 Si2 -","- C84 H96 Eu2 I2 N2 O2 Si2 -","1","0.5","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.71073","MoKα","","0.0488","0.0321","","","0.0557","0.0619","","","","","","1.029","","","","has coordinates,has disorder","229197","2020-10-21","18:00:00",""
"7046816","10.421","0.002","21.831","0.004","22.608","0.005","90","","93.42","0.03","90","","5134.2","1.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Eu N O2 Si -","- C64 H64 Eu N O2 Si -","- C256 H256 Eu4 N4 O8 Si4 -","4","1","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.71073","MoKα","","0.0726","0.0532","","","0.1317","0.1441","","","","","","1.017","","","","has coordinates,has disorder","229197","2020-10-21","18:00:00",""
"7046817","16.442","0.003","21.321","0.004","19.126","0.004","90","","113.47","0.03","90","","6150","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H80 N2 Si2 Yb -","- C76 H80 N2 Si2 Yb -","- C304 H320 N8 Si8 Yb4 -","4","1","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.7109","Synchrotron","","0.1068","0.0645","","","0.1375","0.1581","","","","","","1.025","","","","has coordinates,has disorder","229197","2020-10-21","18:00:00",""
"7046818","10.4277","0.0004","21.9902","0.0012","22.7904","0.0007","90","","92.113","0.003","90","","5222.4","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H69 N O3 Si Yb -","- C65 H69 N O3 Si Yb -","- C260 H276 N4 O12 Si4 Yb4 -","4","1","","de Bruin-Dickason, Caspar N; Boutland, Aaron J.; Dange, Deepak; Deacon, Glen B.; Jones, Cameron","Redox transmetallation approaches to the synthesis of extremely bulky amido-lanthanoid(ii) and -calcium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9512","9520","10.1039/c8dt02138d","","","0.71073","MoKα","","0.0781","0.0442","","","0.0915","0.1098","","","","","","1.066","","","","has coordinates,has disorder","229197","2020-10-21","18:00:00",""
"7046819","10.5863","0.0008","20.8521","0.0016","19.6293","0.0012","90","","95.244","0.006","90","","4315","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H64 Cl N2 P2 Si Ti -","- C42 H64 Cl N2 P2 Si Ti -","- C168 H256 Cl4 N8 P8 Si4 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz","Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}].","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9733","9741","10.1039/c8dt01833b","","x-ray","1.54186","CuKα","","0.085","0.0581","","","0.1425","0.1719","","","","","","1.065","","","","has coordinates","229173","2020-10-21","18:00:00",""
"7046820","11.9613","0.0008","15.7093","0.0013","20.8473","0.0015","90","","99.206","0.007","90","","3866.8","0.5","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 Cl N P4 Ti -","- C36 H54 Cl N P4 Ti -","- C144 H216 Cl4 N4 P16 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz","Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}].","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9733","9741","10.1039/c8dt01833b","","","0.71073","MoKα","","0.1175","0.0726","","","0.177","0.2219","","","","","","1.049","","","","has coordinates","229173","2020-10-21","18:00:00",""
"7046821","10.0158","0.0006","15.7842","0.0012","18.828","0.0012","90","","96.404","0.005","90","","2958","0.3","120","2","120","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C25 H47 Li O3 P2 Si -","- C25 H47 Li O3 P2 Si -","- C100 H188 Li4 O12 P8 Si4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz","Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}].","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9733","9741","10.1039/c8dt01833b","","x-ray","0.71073","MoKα","","0.2226","0.0898","","","0.1735","0.2268","","","","","","1.027","","","","has coordinates","229173","2020-10-21","18:00:00",""
"7046822","17.6073","0.0005","16.8138","0.0005","13.4071","0.0008","90","","104.874","0.003","90","","3836.1","0.3","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Cl N2 P2 Ti -","- C39 H55 Cl N2 P2 Ti -","- C156 H220 Cl4 N8 P8 Ti4 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Wiśniewska, Aleksandra; Pikies, Jerzy; Ponikiewski, Łukasz","Reactions of (Ph)tBuP-P(SiMe<sub>3</sub>)Li·3THF with [(PNP)TiCl<sub>2</sub>] and [<sup>Me</sup>NacNacTiCl<sub>2</sub>·THF]: synthesis of first PNP titanium(iv) complex with the phosphanylphosphinidene ligand [(PNP)Ti(Cl){η<sup>2</sup>-P-P(Ph)tBu}].","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9733","9741","10.1039/c8dt01833b","","","0.71073","MoKα","","0.0584","0.0468","","","0.1324","0.1497","","","","","","1.044","","","","has coordinates","229173","2020-10-21","18:00:00",""
"7046823","10.909","0.0008","22.6914","0.0018","24.2243","0.0019","90","","90","","90","","5996.5","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N6 O3 Re -","- C36 H25 N6 O3 Re -","- C288 H200 N48 O24 Re8 -","8","1","","Fiorini, Valentina; Bergamini, Linda; Monti, Nicola; Zacchini, Stefano; Plush, Sally E.; Massi, Massimiliano; Hochkoeppler, Alejandro; Stefan, Alessandra; Stagni, Stefano","Luminescent protein staining with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9400","9410","10.1039/c8dt02052c","","","0.71073","MoKα","","0.0417","0.0333","","","0.0528","0.0548","","","","","","1.189","","","","has coordinates","229189","2020-10-21","18:00:00",""
"7046824","8.406","0.0006","8.7518","0.0006","12.1247","0.0006","90.525","0.005","94.994","0.005","99.311","0.006","876.65","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H36 Cl2 N2 O2 P2 -","- C41 H36 Cl2 N2 O2 P2 -","- C41 H36 Cl2 N2 O2 P2 -","1","0.5","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0421","0.0397","","","0.1046","0.1069","","","","","","1.058","","","","has coordinates,has disorder","229179","2020-10-21","18:00:00",""
"7046825","8.6313","0.0001","22.6428","0.0003","22.7667","0.0003","90","","95.453","0.001","90","","4429.31","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl2 N2 O2 P2 Pd -","- C48 H34 Cl2 N2 O2 P2 Pd -","- C192 H136 Cl8 N8 O8 P8 Pd4 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0316","0.0273","","","0.0622","0.0643","","","","","","1.025","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046826","8.7816","0.0001","14.4121","0.0002","28.8598","0.0004","90","","92.217","0.001","90","","3649.8","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cl2 N2 O2 P2 Pd -","- C40 H34 Cl2 N2 O2 P2 Pd -","- C160 H136 Cl8 N8 O8 P8 Pd4 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0298","0.0255","","","0.0569","0.0593","","","","","","1.031","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046827","9.2285","0.0003","10.3016","0.0003","21.7482","0.0008","93.121","0.003","93.755","0.003","101.008","0.003","2020.43","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H40 Cl2 N2 O3 P2 Zn -","- C43 H40 Cl2 N2 O3 P2 Zn -","- C86 H80 Cl4 N4 O6 P4 Zn2 -","2","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0543","0.0479","","","0.1306","0.1364","","","","","","1.035","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046828","13.1989","0.001","12.225","0.0007","26.3451","0.0026","90","","101.196","0.008","90","","4170.1","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H37 Cl4 N2 O2.5 P2 Pd Zn -","- C41.5 H37 Cl4 N2 O2.5 P2 Pd Zn -","- C166 H148 Cl16 N8 O10 P8 Pd4 Zn4 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.108","0.0967","","","0.2604","0.2693","","","","","","1.1","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046829","13.8759","0.0007","14.0249","0.0007","22.7179","0.0011","88.254","0.004","78.344","0.004","89.654","0.004","4327.9","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Cl4 N2 O2 P2 Zn2 -","- C48 H34 Cl4 N2 O2 P2 Zn2 -","- C192 H136 Cl16 N8 O8 P8 Zn8 -","4","2","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.1069","0.0798","","","0.2126","0.2298","","","","","","1.102","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046830","8.3124","0.0002","10.1962","0.0005","22.7502","0.0008","83.207","0.003","81.011","0.003","80.319","0.003","1868.99","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N2 O2 P2 -","- C48 H34 N2 O2 P2 -","- C96 H68 N4 O4 P4 -","2","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0611","0.0578","","","0.1701","0.1717","","","","","","1.172","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046831","23.9857","0.0003","13.5115","0.0001","17.3601","0.0002","90","","108.692","0.001","90","","5329.36","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 Cl10 N2 O2 P2 Pd Zn -","- C51 H40 Cl10 N2 O2 P2 Pd Zn -","- C204 H160 Cl40 N8 O8 P8 Pd4 Zn4 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0729","0.0716","","","0.1954","0.1962","","","","","","1.153","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046832","18.1832","0.0003","16.2529","0.0003","27.6162","0.0004","90","","90","","90","","8161.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C80 H68 Cl8 N4 O4 P4 Zn4 -","- C80 H68 Cl8 N4 O4 P4 Zn4 -","- C320 H272 Cl32 N16 O16 P16 Zn16 -","4","1","","Neu, J. P.; Di Martino-Fumo, P; Oelkers, B.; Sun, Y.; Neuba, A.; Gerhards, M.; Thiel, W. R.","Playing with Pearson's concept: orthogonally functionalized 1,4-diaza-1,3-butadienes leading to heterobinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9643","9656","10.1039/c8dt01523f","","","1.54184","CuKα","","0.0996","0.0978","","","0.2683","0.2712","","","","","","1.049","","","","has coordinates","229179","2020-10-21","18:00:00",""
"7046833","31.476","0.002","18.886","0.002","20.89","0.0019","90","","105.383","0.002","90","","11973.3","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H94 N10 Ni13 O96 Si2 W18 -","- C24 H50 N10 Ni13 O96 Si2 W18 -","- C96 H200 N40 Ni52 O384 Si8 W72 -","4","0.5","","Luo, Xi-Ming; Chen, Lu; Dong, Ya-Yu; Li, Jing; Cui, Chen-Hui; Cao, Jia-Peng; Xu, Yan","Three new high-nuclear transition-metal-substituted heteropolytungstates: syntheses, crystal structures, magnetic studies and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9504","9511","10.1039/c8dt01613e","","","0.71073","MoKα","","0.0529","0.0369","","","0.0952","0.1016","","","","","","1.062","","","","has coordinates,has disorder","229202","2020-10-21","18:00:00",""
"7046834","16.908","0.004","18.191","0.004","14.985","0.003","90","","96.346","0.003","90","","4580.7","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H68 Ni12 O104 Si2 W18 -","- Ni12 O104 Si2 W18 -","- Ni24 O208 Si4 W36 -","2","0.5","","Luo, Xi-Ming; Chen, Lu; Dong, Ya-Yu; Li, Jing; Cui, Chen-Hui; Cao, Jia-Peng; Xu, Yan","Three new high-nuclear transition-metal-substituted heteropolytungstates: syntheses, crystal structures, magnetic studies and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9504","9511","10.1039/c8dt01613e","","","0.71073","MoKα","","0.1122","0.0609","","","0.146","0.1635","","","","","","1.015","","","","has coordinates,has disorder","229202","2020-10-21","18:00:00",""
"7046835","14.584","0.004","23.739","0.006","21.125","0.006","90","","108.004","0.003","90","","6956","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H104 N12 Ni12 O93 P2 W18 -","- C64 H66 N12 Ni12 O93 P2 W18 -","- C128 H132 N24 Ni24 O186 P4 W36 -","2","0.5","","Luo, Xi-Ming; Chen, Lu; Dong, Ya-Yu; Li, Jing; Cui, Chen-Hui; Cao, Jia-Peng; Xu, Yan","Three new high-nuclear transition-metal-substituted heteropolytungstates: syntheses, crystal structures, magnetic studies and NLO properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9504","9511","10.1039/c8dt01613e","","","0.71073","MoKα","","0.1118","0.0566","","","0.13","0.1503","","","","","","1.016","","","","has coordinates,has disorder","229202","2020-10-21","18:00:00",""
"7046836","13.7333","0.0003","13.9943","0.0003","14.2142","0.0005","75.894","0.001","88.553","0.001","64.471","0.002","2380.8","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 B F10 N -","- C24 H22 B F10 N -","- C96 H88 B4 F40 N4 -","4","2","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","0.71073","MoKα","","0.1407","0.0851","","","0.1426","0.172","","","","","","1.118","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046837","10.5438","0.0016","14.55","0.002","19.382","0.003","90","","101.141","0.011","90","","2917.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B F10 N -","- C32 H30 B F10 N -","- C128 H120 B4 F40 N4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","1.54178","CuKα","","0.0859","0.0564","","","0.1403","0.162","","","","","","1.017","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046838","13.5304","0.0005","17.4187","0.0006","14.874","0.0005","90","","106.556","0.001","90","","3360.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 B F10 N3 Si -","- C30 H38 B F10 N3 Si -","- C120 H152 B4 F40 N12 Si4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","1.54178","CuKα","","0.0508","0.0369","","","0.0845","0.0895","","","","","","1.05","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046839","12.8034","0.0002","11.3378","0.0002","18.2647","0.0004","90","","105.982","0.001","90","","2548.87","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 B F10 N -","- C24 H24 B F10 N -","- C96 H96 B4 F40 N4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","0.71073","MoKα","","0.0922","0.0606","","","0.1135","0.1266","","","","","","1.036","","","","has coordinates,has disorder","229369","2020-10-21","18:00:00",""
"7046840","12.6697","0.0004","17.9299","0.0006","13.6897","0.0004","90","","100.925","0.001","90","","3053.48","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 B F15 N Si -","- C29 H23 B F15 N Si -","- C116 H92 B4 F60 N4 Si4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","1.54178","CuKα","","0.0347","0.0301","","","0.0722","0.0746","","","","","","1.036","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046841","9.0404","0.0003","16.5379","0.0006","19.356","0.0007","90","","99.772","0.001","90","","2851.91","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 B F15 N -","- C30 H21 B F15 N -","- C120 H84 B4 F60 N4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","0.71073","MoKα","","0.0453","0.0351","","","0.0828","0.0882","","","","","","1.044","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046842","11.1163","0.0006","13.9216","0.0008","14.4781","0.0008","88.616","0.003","88.273","0.003","84.773","0.002","2229.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 B F20 N Si Zr -","- C46 H36 B F20 N Si Zr -","- C92 H72 B2 F40 N2 Si2 Zr2 -","2","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","1.54178","CuKα","","0.0555","0.0437","","","0.0931","0.0991","","","","","","1.079","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046843","13.3272","0.0005","12.2348","0.0005","15.6178","0.0006","90","","98.65","0.002","90","","2517.6","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B F10 N Si -","- C23 H24 B F10 N Si -","- C92 H96 B4 F40 N4 Si4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","1.54178","CuKα","","0.0753","0.0468","","","0.1067","0.1196","","","","","","1.036","","","","has coordinates","229369","2020-10-21","18:00:00",""
"7046844","10.019","0.0002","19.0596","0.0003","15.5129","0.0003","90","","94.422","0.001","90","","2953.5","0.09","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 B F10 N Si -","- C28 H30 B F10 N Si -","- C112 H120 B4 F40 N4 Si4 -","4","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","0.71073","MoKα","","0.0703","0.0542","","","0.1216","0.1326","","","","","","1.071","","","","has coordinates,has disorder","229369","2020-10-21","18:00:00",""
"7046845","8.6741","0.0003","11.6278","0.0004","14.9181","0.0005","83.155","0.001","85.939","0.001","77.609","0.001","1457.54","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 B F10 N -","- C32 H28 B F10 N -","- C64 H56 B2 F20 N2 -","2","1","","Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10853","10856","10.1039/c8dt02435a","","","0.71073","MoKα","","0.1063","0.0727","","","0.1248","0.145","","","","","","1.124","","","","has coordinates,has disorder","229369","2020-10-21","18:00:00",""
"7046846","10.636","0.003","13.9904","0.0017","15.5229","0.0019","114.736","0.002","100.776","0.002","92.828","0.002","2039.7","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Br3 Cl8 F Ir N4 -","- C30 H35 Br3 Cl8 F Ir N4 -","- C60 H70 Br6 Cl16 F2 Ir2 N8 -","2","1","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.0645","0.0496","","","0.157","0.1902","","","","","","1.117","","","","has coordinates","229191","2020-10-21","18:00:00",""
"7046847","9.6652","0.0012","26.138","0.003","13.6356","0.0016","90","","107.956","0.002","90","","3277","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Br2.36 Cl4.64 F Ir N4 -","- C28 H29 Br2.36 Cl4.64 F Ir N4 -","- C112 H116 Br9.44 Cl18.56 F4 Ir4 N16 -","4","1","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.0688","0.0473","","","0.1039","0.1131","","","","","","1.106","","","","has coordinates,has disorder","229191","2020-10-21","18:00:00",""
"7046848","11.1069","0.0014","11.9474","0.0015","15.827","0.002","91.503","0.002","100.293","0.002","100.247","0.002","2029.8","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H60 Br4 Cl16 F2 Ir N8 Rh -","- C56 H60 Br4 Cl16 F2 Ir N8 Rh -","- C56 H60 Br4 Cl16 F2 Ir N8 Rh -","1","0.5","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.0836","0.0571","","","0.171","0.2118","","","","","","1.06","","","","has coordinates","229191","2020-10-21","18:00:00",""
"7046849","11.095","0.002","11.944","0.003","15.85","0.003","91.503","0.003","100.405","0.003","100.27","0.003","2029.1","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H64 Br4 Cl20 F2 Ir2 N8 -","- C56 H60 Br4 Cl16 F2 Ir2 N8 -","- C56 H60 Br4 Cl16 F2 Ir2 N8 -","1","0.5","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.1024","0.0748","","","0.2262","0.2732","","","","","","1.064","","","","has coordinates","229191","2020-10-21","18:00:00",""
"7046850","11.8662","0.0013","11.9461","0.0013","15.5287","0.0017","72.454","0.002","86.588","0.002","60.74","0.002","1820.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H33 Br3 Cl6 F N4 O Rh -","- C29 H31 Br3 Cl6 F N4 O Rh -","- C58 H62 Br6 Cl12 F2 N8 O2 Rh2 -","2","1","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.096","0.0763","","","0.2343","0.2958","","","","","","1.241","","","","has coordinates","229191","2020-10-21","18:00:00",""
"7046851","11.105","0.003","11.955","0.003","15.826","0.004","91.337","0.005","100.502","0.005","100.203","0.005","2029.8","0.9","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H64 Br4 Cl20 F2 N8 Rh2 -","- C56 H60 Br4 Cl16 F2 N8 Rh2 -","- C56 H60 Br4 Cl16 F2 N8 Rh2 -","1","0.5","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.1035","0.0701","","","0.2087","0.2586","","","","","","1.062","","","","has coordinates","229191","2020-10-21","18:00:00",""
"7046852","18.5068","0.0016","14.4057","0.0013","27.924","0.003","90","","91.462","0.002","90","","7442.2","1.2","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Br6 Cl10 F2 Ir2 N8 O3 -","- C52 H52 Br6 Cl8 F2 Ir2 N8 -","- C208 H208 Br24 Cl32 F8 Ir8 N32 -","4","1","","Aznarez, Francisco; Gao, Wen-Xi; Lin, Yue-Jian; Hahn, F. Ekkehardt; Jin, Guo-Xin","Preparation of polynuclear NHC complexes by post-synthetic modification of half-sandwich rhodium and iridium complexes bearing C-azolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9442","9452","10.1039/c8dt02212g","","","0.71073","MoKα","","0.1013","0.045","","","0.115","0.1411","","","","","","0.984","","","","has coordinates,has disorder","229191","2020-10-21","18:00:00",""
"7046853","14.8284","0.0013","17","0.0015","14.5439","0.0013","90","","90.654","0.002","90","","3666","0.6","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14.5 H22 Fe I2 N P -","- C14.5 H22 Fe I2 N P -","- C116 H176 Fe8 I16 N8 P8 -","8","2","","Pick, Fraser S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Redox behaviour of ([fc(NP<sup>i</sup>Pr<sub>2</sub>)<sub>2</sub>]Fe)<sub>2</sub>, formation of an iron-iron bond and cleavage of azobenzene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10925","10931","10.1039/c8dt00828k","","","0.71073","MoKα","","0.0252","0.0243","","","0.0572","0.0575","","","","","","1.136","","","","has coordinates,has disorder","229356","2020-10-21","18:00:00",""
"7046854","13.6777","0.0007","13.5134","0.0006","17.7979","0.0008","90","","94.014","0.001","90","","3281.6","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H92 Fe4 N8 P4 -","- C68 H92 Fe4 N8 P4 -","- C136 H184 Fe8 N16 P8 -","2","0.5","","Pick, Fraser S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Redox behaviour of ([fc(NP<sup>i</sup>Pr<sub>2</sub>)<sub>2</sub>]Fe)<sub>2</sub>, formation of an iron-iron bond and cleavage of azobenzene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10925","10931","10.1039/c8dt00828k","","","0.71073","MoKα","","0.0372","0.0279","","","0.0638","0.0675","","","","","","1.022","","","","has coordinates","229356","2020-10-21","18:00:00",""
"7046855","14.292","0.003","21.153","0.005","24.731","0.006","90","","91.213","0.005","90","","7475","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H120 Fe4 K N4 O6 P4 -","- C68 H119.194 Fe4 K N4 O6 P4 -","- C272 H476.776 Fe16 K4 N16 O24 P16 -","4","1","","Pick, Fraser S.; Leznoff, Daniel B.; Fryzuk, Michael D.","Redox behaviour of ([fc(NP<sup>i</sup>Pr<sub>2</sub>)<sub>2</sub>]Fe)<sub>2</sub>, formation of an iron-iron bond and cleavage of azobenzene.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10925","10931","10.1039/c8dt00828k","","x-ray","0.71069","MoKα","","0.0917","0.0482","","","0.0958","0.1123","","","","","","0.985","","","","has coordinates,has disorder","229356","2020-10-21","18:00:00",""
"7046856","14.9831","0.0002","9.7363","0.0002","20.8595","0.0003","90","","103.889","0.0008","90","","2954.01","0.08","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 N6 O2 P S -","- C25 H47 N6 O2 P S -","- C100 H188 N24 O8 P4 S4 -","4","1","","Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian","Crystalline, room-temperature stable phosphine-SO<sub>2</sub> adducts: generation of sulfur monoxide from sulfur dioxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10420","10424","10.1039/c8dt01484a","","","0.71073","MoKα","","0.043","0.0353","","","0.087","0.0912","","","","","","1.026","","","","has coordinates,has disorder","229829","2020-10-21","18:00:00",""
"7046857","24.5396","0.0003","24.5396","0.0003","24.5396","0.0003","90","","90","","90","","14777.6","0.3","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C33 H60 N9 O2 P S -","- C33 H60 N9 O2.0001 P S -","- C528 H960 N144 O32.0016 P16 S16 -","16","0.333333","","Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian","Crystalline, room-temperature stable phosphine-SO<sub>2</sub> adducts: generation of sulfur monoxide from sulfur dioxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10420","10424","10.1039/c8dt01484a","","","0.71073","MoKα","","0.0543","0.0441","","","0.0926","0.0968","","","","","","1.084","","","","has coordinates","229829","2020-10-21","18:00:00",""
"7046858","8.04457","0.00008","13.70329","0.00014","13.50419","0.00012","90","","91.7658","0.0004","90","","1487.96","0.02","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 O3 P S -","- C12 H27 O3 P S -","- C48 H108 O12 P4 S4 -","4","1","","Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian","Crystalline, room-temperature stable phosphine-SO<sub>2</sub> adducts: generation of sulfur monoxide from sulfur dioxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10420","10424","10.1039/c8dt01484a","","","0.71073","MoKα","","0.0262","0.0244","","","0.0693","0.0708","","","","","","1.057","","","","has coordinates","229829","2020-10-21","18:00:00",""
"7046859","9.3504","0.0001","9.8469","0.0001","22.5631","0.0003","90","","90","","90","","2077.44","0.04","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 N3 O3 P S -","- C17 H34 N3 O3 P S -","- C68 H136 N12 O12 P4 S4 -","4","1","","Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian","Crystalline, room-temperature stable phosphine-SO<sub>2</sub> adducts: generation of sulfur monoxide from sulfur dioxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10420","10424","10.1039/c8dt01484a","","","0.71073","MoKα","","0.0223","0.0219","","","0.0607","0.061","","","","","","1.097","","","","has coordinates","229829","2020-10-21","18:00:00",""
"7046860","10.0153","0.0004","14.762","0.0006","15.0806","0.0006","71.24","0.01","89.2","0.01","70.73","0.01","1982.2","0.2","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C14 H44 Co2 F6 Mo3 N6 Na2 O25 S2 -","- C14 H38 Co2 F6 Mo3 N6 Na2 O25 S2 -","- C28 H76 Co4 F12 Mo6 N12 Na4 O50 S4 -","2","1","","Sugiarto, ?; Tagami, Tomoko; Kawamoto, Keisuke; Hayashi, Yoshihito","Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9657","9664","10.1039/c8dt01226a","","","1.54178","CuKα","","0.061","0.0594","","","0.1451","0.1462","","","","","","1.033","","","","has coordinates,has disorder","229176","2020-10-21","18:00:00",""
"7046861","17.2313","0.0006","22.1991","0.0007","19.1579","0.0006","90","","106.07","0.01","90","","7041.9","0.5","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H44 Co2 Mo5 N7 O22.5 -","- C17 H35 Co2 Mo5 N7 O22.5 -","- C136 H280 Co16 Mo40 N56 O180 -","8","2","","Sugiarto, ?; Tagami, Tomoko; Kawamoto, Keisuke; Hayashi, Yoshihito","Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9657","9664","10.1039/c8dt01226a","","","1.54178","CuKα","","0.0402","0.0353","","","0.087","0.0898","","","","","","1.052","","","","has coordinates","229176","2020-10-21","18:00:00",""
"7046862","23.1839","0.0005","18.5915","0.0004","16.4545","0.0003","90","","90.69","0.01","90","","7091.8","0.3","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H75 Co4 F15 Mo4 N12 O38 S5 -","- C29 H63 Co4 F15 Mo4 N12 O38.001 S5 -","- C116 H252 Co16 F60 Mo16 N48 O152.004 S20 -","4","1","","Sugiarto, ?; Tagami, Tomoko; Kawamoto, Keisuke; Hayashi, Yoshihito","Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9657","9664","10.1039/c8dt01226a","","","1.54178","CuKα","","0.0916","0.0647","","","0.1402","0.1538","","","","","","1.048","","","","has coordinates","229176","2020-10-21","18:00:00",""
"7046863","26.3556","0.0007","22.6899","0.0006","25.2636","0.0007","90","","106.35","0.01","90","","14496.8","1","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H88 Co4 F6 Mo7 N12 O46 S2 -","- C26 H61 Co4 F6 Mo7 N12 O33 S2 -","- C208 H488 Co32 F48 Mo56 N96 O264 S16 -","8","2","","Sugiarto, ?; Tagami, Tomoko; Kawamoto, Keisuke; Hayashi, Yoshihito","Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9657","9664","10.1039/c8dt01226a","","","1.54178","CuKα","","0.0784","0.0724","","","0.1788","0.1853","","","","","","0.762","","","","has coordinates,has disorder","229176","2020-10-21","18:00:00",""
"7046864","11.8775","0.0004","19.8944","0.0009","28.8994","0.0016","90","","101.088","0.004","90","","6701.3","0.5","140","1","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H88 Mo6 N4 O18 -","- C58 H88 Mo6 N4 O18 -","- C232 H352 Mo24 N16 O72 -","4","1","","Al-Yasari, Ahmed; Spence, Philip; El Moll, Hani; Van Steerteghem, Nick; Horton, Peter N.; Brunschwig, Bruce S.; Clays, Koen; Fielden, John","Fine-tuning polyoxometalate non-linear optical chromophores: a molecular electronic ""Goldilocks"" effect.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10415","10419","10.1039/c8dt01491d","","","0.71073","MoKα","","0.1866","0.1103","","","0.2707","0.3278","","","","","","1.022","","","","has coordinates,has disorder","229819","2020-10-21","18:00:00",""
"7046865","16.7634","0.0002","32.5035","0.0004","30.9114","0.0006","90","","90","","90","","16842.7","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C58.5 H90.75 Mo6 N4.25 O18 -","- C58.5 H90.75 Mo6 N4.25 O18 -","- C468 H726 Mo48 N34 O144 -","8","2","","Al-Yasari, Ahmed; Spence, Philip; El Moll, Hani; Van Steerteghem, Nick; Horton, Peter N.; Brunschwig, Bruce S.; Clays, Koen; Fielden, John","Fine-tuning polyoxometalate non-linear optical chromophores: a molecular electronic ""Goldilocks"" effect.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10415","10419","10.1039/c8dt01491d","","","0.71073","MoKα","","0.0807","0.0699","","","0.208","0.2178","","","","","","1.088","","","","has coordinates,has disorder","229819","2020-10-21","18:00:00",""
"7046866","9.23605","0.0001","14.82932","0.00017","16.64944","0.00019","90.9323","0.0009","101.373","0.0009","94.2899","0.0009","2228.21","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H18 Au Cl N O2 P -","- C26 H18 Au Cl N O2 P -","- C104 H72 Au4 Cl4 N4 O8 P4 -","4","2","","Groves, Lara M.; Ward, Benjamin D.; Newman, Paul D.; Horton, Peter N.; Coles, Simon J.; Pope, Simon J. A.","Synthesis and characterisation of fluorescent aminophosphines and their coordination to gold(i).","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9324","9333","10.1039/c8dt02256a","","x-ray","0.71075","MoKα","K-L~3~","0.0197","0.0176","","","0.0391","0.0399","","","","","","1.032","","","","has coordinates","229200","2020-10-21","18:00:00",""
"7046867","8.535","0.008","9.567","0.009","10.751","0.01","91.663","0.019","90.941","0.014","98.96","0.02","866.6","1.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H40 F6 N10 O0 P Ru -","- C30 H40 F6 N10 P Ru -","- C30 H40 F6 N10 P Ru -","1","0.5","","Zhu, Xiao-Quan; Su, Shao-Dong; Wen, Yue-Hong; Zhang, Lin-Tao; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Redox-induced switch between luminescence and magnetism in a trinuclear cyanide-bridged compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9985","9988","10.1039/c8dt01905c","","","0.71073","MoKα","","0.0735","0.051","","","0.1151","0.1234","","","","","","1.001","","","","has coordinates","229803","2020-10-21","18:00:00",""
"7046868","12.2621","0.0008","15.9092","0.0016","16.0561","0.0014","114.126","0.004","90.781","0.003","93.483","0.004","2850.8","0.4","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H105 F24 Mn2 N25 O2 P4 Ru -","- C98 H105 F24 Mn2 N25 O2 P4 Ru -","- C98 H105 F24 Mn2 N25 O2 P4 Ru -","1","0.5","","Zhu, Xiao-Quan; Su, Shao-Dong; Wen, Yue-Hong; Zhang, Lin-Tao; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Redox-induced switch between luminescence and magnetism in a trinuclear cyanide-bridged compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9985","9988","10.1039/c8dt01905c","","","0.71073","MoKα","","0.1012","0.0806","","","0.2403","0.2528","","","","","","1.005","","","","has coordinates,has disorder","229803","2020-10-21","18:00:00",""
"7046869","12.359","0.002","15.942","0.002","16.259","0.002","65.653","0.003","88.991","0.005","86.804","0.005","2914","0.7","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H111 F30 Mn2 N27 O0 P5 Ru -","- C102 H111 F30 Mn2 N27 P5 Ru -","- C102 H111 F30 Mn2 N27 P5 Ru -","1","0.5","","Zhu, Xiao-Quan; Su, Shao-Dong; Wen, Yue-Hong; Zhang, Lin-Tao; Yang, Yu-Ying; Wu, Xin-Tao; Sheng, Tian-Lu","Redox-induced switch between luminescence and magnetism in a trinuclear cyanide-bridged compound.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9985","9988","10.1039/c8dt01905c","","","0.71073","MoKα","","0.0486","0.0412","","","0.1027","0.1088","","","","","","1.04","","","","has coordinates,has disorder","229803","2020-10-21","18:00:00",""
"7046870","8.9726","0.0002","17.332","0.0004","17.2173","0.0004","90","","91.25","0.001","90","","2676.88","0.11","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H48 Cl2 Fe N8 -","- C66 H48 Cl2 Fe N8 -","- C132 H96 Cl4 Fe2 N16 -","2","0.5","","Li, Li; Liu, E.; Cheng, Jessica; Zhang, Guoqi","Iron(ii) coordination polymer catalysed hydroboration of ketones.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9579","9584","10.1039/c8dt02134a","","","1.54178","CuKα","","0.0413","0.0365","","","0.101","0.1061","","","","","","1.032","","","","has coordinates,has disorder","229185","2020-10-21","18:00:00",""
"7046871","15.299","0.003","13.692","0.003","15.535","0.003","90","","97.27","0.03","90","","3228","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 La N4 Si -","- C33 H45 La N4 Si -","- C132 H180 La4 N16 Si4 -","4","1","","Li, Min; Wang, Chaopan; Xie, Hongzhen; Mou, Zehuai; Luo, Yunjie","Rare-earth metal bis(aminobenzyl) complexes supported by pyrrolyl-functionalized arylamide ligands: synthesis, characterization and styrene polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9709","9716","10.1039/c8dt01834k","","","0.71073","MoKα","","0.0296","0.0247","","","0.0604","0.0638","","","","","","1.01","","","","has coordinates","229177","2020-10-21","18:00:00",""
"7046872","16.1691","0.0011","10.779","0.0007","20.0763","0.0011","90","","109.761","0.002","90","","3293","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 Cl N4 Sc Si -","- C33 H44 Cl N4 Sc Si -","- C132 H176 Cl4 N16 Sc4 Si4 -","4","1","","Li, Min; Wang, Chaopan; Xie, Hongzhen; Mou, Zehuai; Luo, Yunjie","Rare-earth metal bis(aminobenzyl) complexes supported by pyrrolyl-functionalized arylamide ligands: synthesis, characterization and styrene polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9709","9716","10.1039/c8dt01834k","","","0.71073","MoKα","","0.1913","0.0693","","","0.1202","0.167","","","","","","0.972","","","","has coordinates","229177","2020-10-21","18:00:00",""
"7046873","11.6583","0.0003","11.1459","0.0002","25.189","0.0007","90","","92.592","0.001","90","","3269.77","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl La N4 Si -","- C33 H42 Cl La N4 Si -","- C132 H168 Cl4 La4 N16 Si4 -","4","1","","Li, Min; Wang, Chaopan; Xie, Hongzhen; Mou, Zehuai; Luo, Yunjie","Rare-earth metal bis(aminobenzyl) complexes supported by pyrrolyl-functionalized arylamide ligands: synthesis, characterization and styrene polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9709","9716","10.1039/c8dt01834k","","","0.71073","MoKα","","0.0457","0.0304","","","0.0664","0.0799","","","","","","1.073","","","","has coordinates","229177","2020-10-21","18:00:00",""
"7046874","8.867","0.002","22.38","0.002","14.372","0.002","90","","93.68","0.02","90","","2846.1","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 Ca O8 S2 -","- C26 H36 Ca O8 S2 -","- C104 H144 Ca4 O32 S8 -","4","1","","Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao","Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9787","9794","10.1039/c8dt01959b","","","0.7107","MoKα","","0.2413","0.0618","","","0.1077","0.1542","","","","","","1.001","","","","has coordinates","229168","2020-10-21","18:00:00",""
"7046875","8.082","0.002","16.472","0.002","22.655","0.002","90","","99.44","0.01","90","","2975.1","0.9","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 Ca O8 S2 -","- C28 H38 Ca O8 S2 -","- C112 H152 Ca4 O32 S8 -","4","1","","Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao","Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9787","9794","10.1039/c8dt01959b","","","0.7107","MoKα","","0.1881","0.0558","","","0.116","0.1574","","","","","","1.018","","","","has coordinates","229168","2020-10-21","18:00:00",""
"7046876","7.686","0.002","13.944","0.002","14.556","0.002","90","","99.17","0.02","90","","1540.1","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 O8 Se2 Sr -","- C28 H38 O8 Se2 Sr -","- C56 H76 O16 Se4 Sr2 -","2","0.5","","Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao","Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9787","9794","10.1039/c8dt01959b","","","0.7107","MoKα","","0.1559","0.0465","","","0.0813","0.106","","","","","","0.997","","","","has coordinates","229168","2020-10-21","18:00:00",""
"7046877","8.606","0.002","14.452","0.002","22.606","0.002","90","","94.51","0.02","90","","2802.9","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 O9 S2 Sr -","- C26 H34 O9 S2 Sr -","- C104 H136 O36 S8 Sr4 -","4","1","","Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao","Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9787","9794","10.1039/c8dt01959b","","","0.7107","MoKα","","0.2361","0.0629","","","0.107","0.1511","","","","","","0.963","","","","has coordinates","229168","2020-10-21","18:00:00",""
"7046878","13.49","0.002","16.032","0.001","8.482","0.002","94.83","0.02","93.13","0.02","107.059","0.008","1741.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Ba O9 S2 -","- C31 H44 Ba O9 S2 -","- C62 H88 Ba2 O18 S4 -","2","1","","Tatematsu, Yoshiharu; Kato, Shinzi; Nakata, Norio; Ebihara, Masahiro; Niyomura, Osamu; Sugamata, Koh; Yukimoto, Mariko; Minoura, Mao","Group 2 metal bis(arenecarbochalcogenoate)(crown ether) complexes: isolation and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9787","9794","10.1039/c8dt01959b","","","0.7107","MoKα","","0.0449","0.0295","","","0.0629","0.0681","","","","","","1.028","","","","has coordinates","229168","2020-10-21","18:00:00",""
"7046879","9.6398","0.0006","18.9661","0.0011","12.4507","0.0007","90","","100.844","0.0008","90","","2235.7","0.2","158","2","158","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H58 Mg N6 S2 Si3 -","- C44 H58 Mg N6 S2 Si3 -","- C88 H116 Mg2 N12 S4 Si6 -","2","0.5","","Rauch, Michael; Parkin, Gerard","Insertion of CS<sub>2</sub> into the Mg-H bond: synthesis and structural characterization of the magnesium dithioformate complex, [Tism<sup>Pr<sup>i</sup>Benz</sup>]Mg(κ<sup>2</sup>-S<sub>2</sub>CH).","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12596","12605","10.1039/c8dt01947a","","","0.71073","MoKα","","0.0446","0.0358","","","0.0908","0.097","","","","","","1.04","","","","has coordinates","229920","2020-10-21","18:00:00",""
"7046880","11.5752","0.0012","13.2401","0.0013","14.6104","0.0014","71.846","0.004","67.999","0.004","65.542","0.004","1857","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Co8Tb2","","","- C40 H100 Cl4 Co8 N8 O34 Tb2 -","- C40 H100 Cl4 Co8 N8 O34 Tb2 -","- C40 H100 Cl4 Co8 N8 O34 Tb2 -","1","0.5","","Yu, You-Zhu; Hu, Yue-Qiao; Guo, Yu-Hua; Niu, Yong-Sheng; Yang, Li-Guo; Song, Hai-Xiang; Shen, Yan-Hong; Zheng, Xiao-Ming; Hou, Shao-Gang; Feng, Guo-Dong","Syntheses, crystal-solution structures and magnetic properties of a series of decanuclear heterometallic [LnCoCo] (Ln = Eu, Gd, Tb, Dy) clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10124","10129","10.1039/c8dt01252k","","","0.71073","MoKα","","0.0806","0.0672","","","0.138","0.1514","","","","","","1.046","","","","has coordinates","229806","2020-10-21","18:00:00",""
"7046881","11.5808","0.0004","13.1176","0.0005","14.5614","0.0005","71.009","0.002","67.615","0.002","65.536","0.002","1824.4","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Co8Gd2","","","- C42 H106 Cl4 Co8 Gd2 N8 O34 -","- C42 H106 Cl4 Co8 Gd2 N8 O34 -","- C42 H106 Cl4 Co8 Gd2 N8 O34 -","1","0.5","","Yu, You-Zhu; Hu, Yue-Qiao; Guo, Yu-Hua; Niu, Yong-Sheng; Yang, Li-Guo; Song, Hai-Xiang; Shen, Yan-Hong; Zheng, Xiao-Ming; Hou, Shao-Gang; Feng, Guo-Dong","Syntheses, crystal-solution structures and magnetic properties of a series of decanuclear heterometallic [LnCoCo] (Ln = Eu, Gd, Tb, Dy) clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10124","10129","10.1039/c8dt01252k","","","0.71073","MoKα","","0.0617","0.0492","","","0.1329","0.1448","","","","","","1.057","","","","has coordinates","229806","2020-10-21","18:00:00",""
"7046882","11.6459","0.0013","13.2464","0.0014","14.69","0.0015","72.037","0.004","67.296","0.004","66.086","0.004","1879.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Co8Eu2","","","- C42 H110 Cl4 Co8 Eu2 N8 O34 -","- C42 H106 Cl4 Co8 Eu2 N8 O34 -","- C42 H106 Cl4 Co8 Eu2 N8 O34 -","1","0.5","","Yu, You-Zhu; Hu, Yue-Qiao; Guo, Yu-Hua; Niu, Yong-Sheng; Yang, Li-Guo; Song, Hai-Xiang; Shen, Yan-Hong; Zheng, Xiao-Ming; Hou, Shao-Gang; Feng, Guo-Dong","Syntheses, crystal-solution structures and magnetic properties of a series of decanuclear heterometallic [LnCoCo] (Ln = Eu, Gd, Tb, Dy) clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10124","10129","10.1039/c8dt01252k","","","0.71073","MoKα","","0.0627","0.0564","","","0.1459","0.1587","","","","","","1.028","","","","has coordinates","229806","2020-10-21","18:00:00",""
"7046883","11.604","0.008","13.227","0.009","14.653","0.009","72.181","0.007","67.638","0.007","65.939","0.007","1869","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","Co8Dy2","","","- C42 H102 Cl4 Co8 Dy2 N8 O34 -","- C42 H102 Cl4 Co8 Dy2 N8 O34 -","- C42 H102 Cl4 Co8 Dy2 N8 O34 -","1","0.5","","Yu, You-Zhu; Hu, Yue-Qiao; Guo, Yu-Hua; Niu, Yong-Sheng; Yang, Li-Guo; Song, Hai-Xiang; Shen, Yan-Hong; Zheng, Xiao-Ming; Hou, Shao-Gang; Feng, Guo-Dong","Syntheses, crystal-solution structures and magnetic properties of a series of decanuclear heterometallic [LnCoCo] (Ln = Eu, Gd, Tb, Dy) clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10124","10129","10.1039/c8dt01252k","","","0.71073","MoKα","","0.0638","0.0506","","","0.1282","0.1447","","","","","","1.061","","","","has coordinates","229806","2020-10-21","18:00:00",""
"7046884","10.1044","0.0007","13.9566","0.0011","17.0124","0.0013","85.731","0.002","77.016","0.002","83.628","0.002","2320.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H65 B O8 P2 Ru -","- C46 H65 B O8 P2 Ru -","- C92 H130 B2 O16 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Ferraro, Valentina","Preparation and reactivity of half-sandwich dioxygen complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9173","9184","10.1039/c8dt01871e","","","0.71073","MoKα","","0.0259","0.0229","","","0.0586","0.06","","","","","","1.064","","","","has coordinates","229321","2020-10-21","18:00:00",""
"7046885","12.8026","0.0013","13.4361","0.0012","16.0287","0.0017","85.349","0.005","84.245","0.005","69.965","0.004","2574.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H61 B Cl2 O5 P2 Ru -","- C56 H61 B Cl2 O5 P2 Ru -","- C112 H122 B2 Cl4 O10 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Ferraro, Valentina","Preparation and reactivity of half-sandwich dioxygen complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9173","9184","10.1039/c8dt01871e","","","0.71073","MoKα","","0.0532","0.0417","","","0.0922","0.097","","","","","","1.038","","","","has coordinates","229321","2020-10-21","18:00:00",""
"7046886","10.7189","0.0009","14.4422","0.0013","17.6629","0.0016","98.425","0.003","102.113","0.003","90.545","0.003","2642.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H65 B O5 P2 Ru -","- C58 H65 B O5 P2 Ru -","- C116 H130 B2 O10 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Ferraro, Valentina","Preparation and reactivity of half-sandwich dioxygen complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9173","9184","10.1039/c8dt01871e","","","0.71073","MoKα","","0.028","0.0244","","","0.0618","0.0635","","","","","","1.049","","","","has coordinates","229321","2020-10-21","18:00:00",""
"7046887","9.911","0.002","18.212","0.004","12.793","0.003","90","","94.92","0.03","90","","2300.6","0.9","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O S -","- C23 H26 N6 O S -","- C92 H104 N24 O4 S4 -","4","1","","Isaac, J. A.; Mansour, A.-T.; David, R.; Kochem, A.; Philouze, C.; Demeshko, S.; Meyer, F.; Réglier, M; Simaan, A. J.; Caldarelli, S.; Yemloul, M.; Jamet, H.; Thibon-Pourret, A; Belle, C.","Tetranuclear and dinuclear phenoxido bridged copper complexes based on unsymmetrical thiosemicarbazone ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9665","9676","10.1039/c8dt02452a","","x-ray","0.71073","MoKα","","0.0866","0.0441","","","0.1036","0.1284","","","","","","1.058","","","","has coordinates,has disorder","229180","2020-10-21","18:00:00",""
"7046888","8.7438","0.0017","10.771","0.002","15.739","0.003","95.74","0.03","95.74","0.03","92.9","0.03","1464.7","0.5","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H29 Cu2 F3 N6 O6 S2 -","- C25 H29 Cu2 F3 N6 O6 S2 -","- C50 H58 Cu4 F6 N12 O12 S4 -","2","1","","Isaac, J. A.; Mansour, A.-T.; David, R.; Kochem, A.; Philouze, C.; Demeshko, S.; Meyer, F.; Réglier, M; Simaan, A. J.; Caldarelli, S.; Yemloul, M.; Jamet, H.; Thibon-Pourret, A; Belle, C.","Tetranuclear and dinuclear phenoxido bridged copper complexes based on unsymmetrical thiosemicarbazone ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9665","9676","10.1039/c8dt02452a","","x-ray","0.71073","MoKα","","0.0947","0.044","","","0.1198","0.1432","","","","","","1.044","","","","has coordinates","229180","2020-10-21","18:00:00",""
"7046889","32.964","0.007","14.683","0.003","14.437","0.003","90","","112.86","0.03","90","","6439","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H59 Cu4 F6 N15 O10 S4 -","- C54 H59 Cu4 F6 N15 O10 S4 -","- C216 H236 Cu16 F24 N60 O40 S16 -","4","0.5","","Isaac, J. A.; Mansour, A.-T.; David, R.; Kochem, A.; Philouze, C.; Demeshko, S.; Meyer, F.; Réglier, M; Simaan, A. J.; Caldarelli, S.; Yemloul, M.; Jamet, H.; Thibon-Pourret, A; Belle, C.","Tetranuclear and dinuclear phenoxido bridged copper complexes based on unsymmetrical thiosemicarbazone ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9665","9676","10.1039/c8dt02452a","","x-ray","0.71073","MoKα","","0.0838","0.0384","","","0.0822","0.102","","","","","","1.075","","","","has coordinates,has disorder","229180","2020-10-21","18:00:00",""
"7046890","8.8221","0.0005","14.8811","0.0007","27.4419","0.0015","90","","93.482","0.002","90","","3596","0.3","198","2","198","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-6-(pyridin-2-yl)pyrimidine)iron(II)tetrafluoroborate ethanol solvate (1:1)","","- C32 H36 B2 F8 Fe N10 O -","- C32 H36 B2 F8 Fe N10 O -","- C128 H144 B8 F32 Fe4 N40 O4 -","4","1","","Bushuev, Mark B.; Krivopalov, Viktor P.; Nikolaenkova, Elena B.; Vinogradova, Katerina A.; Gatilov, Yuri V.","Hysteretic spin crossover in isomeric iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9585","9591","10.1039/c8dt02223b","","","0.71073","MoKα","","0.0858","0.0685","","","0.1801","0.1941","","","","","","0.949","","","","has coordinates,has disorder","229184","2020-10-21","18:00:00",""
"7046891","15.9","0.003","17.23","0.003","21.83","0.004","91.79","0.03","92.92","0.03","90.57","0.03","5969.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C89 H157 Cl2 N12 Ni8 O36.75 -","- C89 H157 Cl2 N12 Ni8 O36.75 -","- C178 H314 Cl4 N24 Ni16 O73.5 -","2","1","","Kusumoto, Sotaro; Kobayashi, Fumiya; Ohtani, Ryo; Zhang, Yingjie; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","Creating capsules with cubanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9575","9578","10.1039/c8dt01911h","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.084","0.0788","","","0.2105","0.214","","","","","","1.096","","","","has coordinates,has disorder","229178","2020-10-21","18:00:00",""
"7046892","14.1511","0.001","14.1612","0.0013","16.704","0.0012","65.34","0.008","66.649","0.007","61.292","0.008","2586.3","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C79 H147 Cl3 N12 Ni8 O31 -","- C79 H147 Cl3 N12 Ni8 O31 -","- C79 H147 Cl3 N12 Ni8 O31 -","1","0.5","","Kusumoto, Sotaro; Kobayashi, Fumiya; Ohtani, Ryo; Zhang, Yingjie; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","Creating capsules with cubanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9575","9578","10.1039/c8dt01911h","","","0.71075","MoKα","","0.0802","0.0467","","","0.1192","0.1405","","","","","","1.07","","","","has coordinates,has disorder","229178","2020-10-21","18:00:00",""
"7046893","21.433","0.004","22.146","0.004","35.041","0.007","90","","103.89","0.03","90","","16146","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H132 B F4 N12 Ni8 O26 -","- C78 H132 B F4 N12 Ni8 O26 -","- C468 H792 B6 F24 N72 Ni48 O156 -","6","1.5","","Kusumoto, Sotaro; Kobayashi, Fumiya; Ohtani, Ryo; Zhang, Yingjie; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","Creating capsules with cubanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9575","9578","10.1039/c8dt01911h","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.1758","0.1004","","","0.2613","0.3296","","","","","","1.006","","","","has coordinates,has disorder","229178","2020-10-21","18:00:00",""
"7046894","16.1232","0.0015","11.467","0.0011","19.7039","0.0019","90","","108.445","0.008","90","","3455.8","0.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Mo2 O3 P2 S4 -","- C31 H30 Mo2 O3 P2 S4 -","- C124 H120 Mo8 O12 P8 S16 -","4","1","","Haque, Mohd Rezaul; Ghosh, Shishir; Rahman, Md Matiar; Siddiquee, Tasneem A.; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","Mixed-valence dimolybdenum complexes containing hard oxo and soft carbonyl ligands: synthesis, structure, and electrochemistry of Mo<sub>2</sub>(O)(CO)<sub>2</sub>(μ-κ<sup>2</sup>-S(CH<sub>2</sub>)<sub>n</sub>S)<sub>2</sub>(κ<sup>2</sup>-diphosphine).","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10102","10112","10.1039/c8dt02231c","","","0.71075","MoKα","","0.1021","0.0546","","","0.1105","0.1288","","","","","","1.019","","","","has coordinates","229804","2020-10-21","18:00:00",""
"7046895","11.568","0.017","15.89","0.02","17.05","0.02","90","","103.363","0.015","90","","3049","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Mo O P2 S3 -","- C31 H32 Mo O P2 S3 -","- C124 H128 Mo4 O4 P8 S12 -","4","1","","Haque, Mohd Rezaul; Ghosh, Shishir; Rahman, Md Matiar; Siddiquee, Tasneem A.; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","Mixed-valence dimolybdenum complexes containing hard oxo and soft carbonyl ligands: synthesis, structure, and electrochemistry of Mo<sub>2</sub>(O)(CO)<sub>2</sub>(μ-κ<sup>2</sup>-S(CH<sub>2</sub>)<sub>n</sub>S)<sub>2</sub>(κ<sup>2</sup>-diphosphine).","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10102","10112","10.1039/c8dt02231c","","","0.71075","MoKα","","0.0524","0.0416","","","0.1034","0.1096","","","","","","1.036","","","","has coordinates","229804","2020-10-21","18:00:00",""
"7046896","12.152","0.003","15.879","0.003","18.565","0.004","90","","90.143","0.006","90","","3582.3","1.4","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 Mo2 O3 P2 S4 -","- C33 H34 Mo2 O3 P2 S4 -","- C132 H136 Mo8 O12 P8 S16 -","4","1","","Haque, Mohd Rezaul; Ghosh, Shishir; Rahman, Md Matiar; Siddiquee, Tasneem A.; Nesterov, Vladimir N.; Richmond, Michael G.; Hogarth, Graeme; Kabir, Shariff E.","Mixed-valence dimolybdenum complexes containing hard oxo and soft carbonyl ligands: synthesis, structure, and electrochemistry of Mo<sub>2</sub>(O)(CO)<sub>2</sub>(μ-κ<sup>2</sup>-S(CH<sub>2</sub>)<sub>n</sub>S)<sub>2</sub>(κ<sup>2</sup>-diphosphine).","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10102","10112","10.1039/c8dt02231c","","","0.71075","MoKα","","0.1132","0.0567","","","0.09","0.1002","","","","","","1.03","","","","has coordinates","229804","2020-10-21","18:00:00",""
"7046897","10.728","0.001","12.273","0.001","23.362","0.002","90","","97.602","0.006","90","","3048.9","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MAS_fplh9cbIR","","","- C25 H37 B10 Cl Fe Ir N3 -","- C25 H37 B10 Cl Fe Ir N3 -","- C100 H148 B40 Cl4 Fe4 Ir4 N12 -","4","1","","Frutos, María; Gómez-Gallego, Mar; Giner, Elena A.; Sierra, Miguel A.; Ramírez de Arellano, Carmen","Triazole vs. triazolium carbene ligands in the site-selective cyclometallation of o-carboranes by M(iii) (M = Ir, Rh) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9975","9979","10.1039/c8dt02296h","","","0.71073","MoKα","","0.0383","0.0273","","","0.0636","0.0671","","","","","","1.039","","","","has coordinates","229812","2020-10-21","18:00:00",""
"7046898","31.5605","0.0009","8.6073","0.0002","20.2755","0.0005","90","","90","","90","","5507.9","0.2","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H35 B10 Cl Ir N3 -","- C22 H35 B10 Cl Ir N3 -","- C176 H280 B80 Cl8 Ir8 N24 -","8","2","","Frutos, María; Gómez-Gallego, Mar; Giner, Elena A.; Sierra, Miguel A.; Ramírez de Arellano, Carmen","Triazole vs. triazolium carbene ligands in the site-selective cyclometallation of o-carboranes by M(iii) (M = Ir, Rh) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","9975","9979","10.1039/c8dt02296h","","","0.71073","MoKα","","0.0707","0.0501","","","0.0935","0.1059","","","","","","1.053","","","","has coordinates","229812","2020-10-21","18:00:00",""
"7046899","20.1644","0.0011","13.5861","0.0007","15.4411","0.0008","90","","90","","90","","4230.2","0.4","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14.5 H21 Cl3 N4 O3 Ru S2 -","- C14.5 H21 Cl3 N4 O3 Ru S2 -","- C116 H168 Cl24 N32 O24 Ru8 S16 -","8","2","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Ciancaleoni, Gianluca; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9367","9384","10.1039/c8dt01555d","","","0.71073","MoKα","","0.0813","0.0695","","","0.1693","0.1768","","","","","","1.104","","","","has coordinates","229195","2020-10-21","18:00:00",""
"7046900","9.8648","0.0008","10.3944","0.0009","13.2061","0.0011","80.535","0.002","74.738","0.002","85.724","0.002","1287.9","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H32 N7 O4 P Ru S2 -","- C20 H32 N7 O4 P Ru S2 -","- C40 H64 N14 O8 P2 Ru2 S4 -","2","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Ciancaleoni, Gianluca; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9367","9384","10.1039/c8dt01555d","","","0.71073","MoKα","","0.0446","0.0375","","","0.0914","0.0946","","","","","","1.079","","","","has coordinates","229195","2020-10-21","18:00:00",""
"7046901","8.4906","0.0006","9.6154","0.0006","25.5233","0.0016","79.672","0.002","87.964","0.002","71.661","0.002","1945.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H22 Cl N4 O4.5 Ru S2 -","- C14 H19 Cl N4 O4.5 Ru S2 -","- C56 H76 Cl4 N16 O18 Ru4 S8 -","4","2","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Ciancaleoni, Gianluca; Zacchini, Stefano; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Versatile coordination of acetazolamide to ruthenium(ii) p-cymene complexes and preliminary cytotoxicity studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9367","9384","10.1039/c8dt01555d","","","0.71073","MoKα","","0.0641","0.0466","","","0.0871","0.0919","","","","","","1.081","","","","has coordinates","229195","2020-10-21","18:00:00",""
"7046902","9.7589","0.0003","10.0633","0.0002","10.9128","0.0004","101.966","0.0017","90.9652","0.0017","111.423","0.0017","970.93","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","JF-163","","- C18 H19 O6 P W -","- C18 H19 O6 P W -","- C36 H38 O12 P2 W2 -","2","1","","Fassbender, J.; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","Effects of diminished steric protection at phosphorus on stability and reactivity of oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9347","9354","10.1039/c8dt01979g","","","0.71073","MoKα","","0.025","0.0233","","","0.054","0.0548","","","","","","1.038","","","","has coordinates","229207","2020-10-21","18:00:00",""
"7046903","11.2835","0.0006","13.5886","0.0005","17.7347","0.001","90","","108.059","0.004","90","","2585.3","0.2","123","","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","JF-85","","- C23 H11 F10 O7 P W -","- C23 H11 F10 O7 P W -","- C92 H44 F40 O28 P4 W4 -","4","1","","Fassbender, J.; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","Effects of diminished steric protection at phosphorus on stability and reactivity of oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9347","9354","10.1039/c8dt01979g","","","0.71073","MoKα","","0.1031","0.0505","","","0.0909","0.102","","","","","","0.864","","","","has coordinates","229207","2020-10-21","18:00:00",""
"7046904","9.9897","0.0004","10.2207","0.0004","11.3156","0.0003","87.4885","0.0019","74.026","0.0019","68.059","0.0016","1028.02","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","JF-152","","- C19 H21 O6 P W -","- C19 H21 O6 P W -","- C38 H42 O12 P2 W2 -","2","1","","Fassbender, J.; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","Effects of diminished steric protection at phosphorus on stability and reactivity of oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9347","9354","10.1039/c8dt01979g","","","0.71073","MoKα","","0.1007","0.0784","","","0.2054","0.2206","","","","","","1.094","","","","has coordinates","229207","2020-10-21","18:00:00",""
"7046905","9.8816","0.0004","15.0671","0.0007","16.0872","0.0005","110.802","0.003","95.641","0.003","108.864","0.002","2056.37","0.16","123","","123","","","","","","","","","5","P -1","-P 1","2","","JF-179","","- C19 H21 Cr O6 P -","- C19 H21 Cr O6 P -","- C76 H84 Cr4 O24 P4 -","4","2","","Fassbender, J.; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","Effects of diminished steric protection at phosphorus on stability and reactivity of oxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9347","9354","10.1039/c8dt01979g","","","0.71073","MoKα","","0.0959","0.065","","","0.1587","0.1769","","","","","","1.057","","","","has coordinates","229207","2020-10-21","18:00:00",""
"7046906","12.5983","0.0002","13.8742","0.0003","20.565","0.0004","85.461","0.002","84.238","0.001","75.285","0.001","3453.74","0.12","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H62 Cl4 P4 Rh2 -","- C74 H62 Cl4 P4 Rh2 -","- C148 H124 Cl8 P8 Rh4 -","2","1","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","1.54184","CuKα","","0.0345","0.0319","","","0.0875","0.0901","","","","","","1.026","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7046907","18.7605","0.0007","13.5447","0.0006","23.3266","0.001","90","","99.155","0.004","90","","5851.9","0.4","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63 H76 B2 N8 P2 Rh2 -","- C63 H76 B2 N8 P2 Rh2 -","- C252 H304 B8 N32 P8 Rh8 -","4","0.5","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.0737","0.0474","","","0.1108","0.1279","","","","","","1.11","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7046908","18.8404","0.0003","13.263","0.0002","11.703","0.0002","90","","90","","90","","2924.35","0.08","150","0.1","150","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C55 H50 B2 N12 P2 Rh2 -","- C55 H50 B2 N12 P2 Rh2 -","- C110 H100 B4 N24 P4 Rh4 -","2","0.5","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.0356","0.0273","","","0.0498","0.0552","","","","","","1.066","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7046909","26.2284","0.001","10.6335","0.0004","38.1132","0.0013","90","","97.948","0.004","90","","10527.6","0.7","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 B2 N12 P Rh2 -","- C49 H59 B2 N12 P Rh2 -","- C392 H472 B16 N96 P8 Rh16 -","8","1","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.0932","0.0594","","","0.1147","0.1264","","","","","","1.05","","","","has coordinates","229165","2020-10-21","18:00:00",""
"7046910","23.978","0.0005","18.693","0.0002","23.8266","0.0004","90","","97.097","0.002","90","","10597.8","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50.25 H48.5 B2 Cl2.5 N8 P2 Rh2 -","- C50.25 H48.5 B2 Cl2.5 N8 P2 Rh2 -","- C402 H388 B16 Cl20 N64 P16 Rh16 -","8","2","","Barnett, Harrison J.; Burt, Liam K.; Hill, Anthony F.","Simple generation of a dirhodium μ-carbido complex via thiocarbonyl reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9570","9574","10.1039/c8dt02524j","","x-ray","0.71073","MoKα","","0.1103","0.0865","","","0.2064","0.2265","","","","","","1.116","","","","has coordinates,has disorder","229165","2020-10-21","18:00:00",""
"7046911","14.204","0.003","17.591","0.003","22.635","0.004","89.925","0.007","81.885","0.006","89.877","0.006","5599","1.8","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H49 Cl F7 N3 P3 Ru -","- C65.5 H51 Cl2 F6 N3 P3 Ru -","- C262 H204 Cl8 F24 N12 P12 Ru4 -","4","2","","Sil, Amit; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9877","9888","10.1039/c8dt00881g","","","0.71073","MoKα","","0.1047","0.0615","","","0.1478","0.1726","","","","","","1.046","","","","has coordinates,has disorder","229181","2020-10-21","18:00:00",""
"7046912","13.293","0.004","13.425","0.004","14.198","0.004","91.251","0.009","95.993","0.009","115.779","0.008","2262.7","1.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C102 H76 Cl2 F12 N6 P4 Ru2 -","- C102 H76 Cl2 F12 N6 P4 Ru2 -","- C102 H76 Cl2 F12 N6 P4 Ru2 -","1","0.5","","Sil, Amit; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9877","9888","10.1039/c8dt00881g","","","0.71073","MoKα","","0.2014","0.0991","","","0.2395","0.3068","","","","","","0.968","","","","has coordinates","229181","2020-10-21","18:00:00",""
"7046913","13.05","0.002","13.456","0.002","15.248","0.002","70.943","0.004","68.971","0.004","61.317","0.004","2153.3","0.5","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H72 Cl2 F12 N6 P4 Ru2 -","- C94 H72 Cl2 F12 N6 P4 Ru2 -","- C94 H72 Cl2 F12 N6 P4 Ru2 -","1","0.5","","Sil, Amit; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9877","9888","10.1039/c8dt00881g","","","0.71073","MoKα","","0.2263","0.1079","","","0.2849","0.3584","","","","","","1.032","","","","has coordinates","229181","2020-10-21","18:00:00",""
"7046914","14.489","0.004","17.629","0.005","23.036","0.007","90","","97.774","0.008","90","","5830","3","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H0.25 Cl F7 N3 P3 Ru -","- C70 H55 Cl2 F6 N3 P3 Ru -","- C280 H220 Cl8 F24 N12 P12 Ru4 -","4","1","","Sil, Amit; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9877","9888","10.1039/c8dt00881g","","","0.71073","MoKα","","0.0665","0.0523","","","0.1272","0.1376","","","","","","1.022","","","","has coordinates","229181","2020-10-21","18:00:00",""
"7046915","14.489","0.004","17.629","0.005","23.036","0.007","90","","97.774","0.008","90","","5830","3","293","2","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H0.25 Cl F7 N3 P3 Ru -","- C70 H55 Cl2 F6 N3 P3 Ru -","- C280 H220 Cl8 F24 N12 P12 Ru4 -","4","1","","Sil, Amit; Roy Chowdhury, Sabyasachi; Mishra, Sabyashachi; Patra, Sanjib K.","Synthesis, structure, and photophysical and electrochemical properties of Ru(ii) complexes of arylene-vinylene terpyridyl conjugates.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9877","9888","10.1039/c8dt00881g","","","0.71073","MoKα","","0.0727","0.0584","","","0.1535","0.1661","","","","","","1.055","","","","has coordinates","229181","2020-10-21","18:00:00",""
"7046916","14.0472","0.0003","14.0472","0.0003","66.0924","0.0014","90","","90","","120","","11294.4","0.4","200","2","200","2","","","","","","","","5","P 32","P 32","145","","","","- C54 H120 Ce O17.5 Si4 -","- C54 H120 Ce O17.5 Si4 -","- C324 H720 Ce6 O105 Si24 -","6","2","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.0692","0.055","","","0.1116","0.1154","","","","","","1.011","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7046917","22.496","0.0009","14.8753","0.0004","23.0312","0.0007","90","","106.034","0.002","90","","7407.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H124 Ce K O18 Si4 -","- C56 H124 Ce K O18 Si4 -","- C224 H496 Ce4 K4 O72 Si16 -","4","1","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.0412","0.0282","","","0.0557","0.0599","","","","","","1.016","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7046918","20.536","0.004","16.007","0.003","25.726","0.005","90","","91.04","0.03","90","","8455","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H134 Ce Co O16 Si4 -","- C72 H134 Ce Co O16 Si4 -","- C288 H536 Ce4 Co4 O64 Si16 -","4","1","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.081","0.0422","","","0.0825","0.0979","","","","","","1.043","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7046919","25.933","0.003","26.147","0.003","26.188","0.003","90","","90","","90","","17757","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 Ce K N2 O22 Si4 -","- C66 H144 Ce K N2 O22 Si4 -","- C528 H1152 Ce8 K8 N16 O176 Si32 -","8","2","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.0461","0.0401","","","0.086","0.0896","","","","","","1.027","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7046920","17.924","0.002","14.3725","0.0017","17.534","0.002","90","","96.56","0.002","90","","4487.4","0.9","101","2","101.12","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B Cl5 N4 O Ru -","- C49 H45 B Cl5 N4 O Ru -","- C196 H180 B4 Cl20 N16 O4 Ru4 -","4","1","","Nilles, Christian K.; Herath, Hashini N. K.; Fanous, Hanna; Ugrinov, Angel; Parent, Alexander R.","Electrochemical properties and C-H bond oxidation activity of [Ru(tpy)(pyalk)Cl]<sup>+</sup> and [Ru(tpy)(pyalk)(OH)]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9701","9708","10.1039/c8dt02260g","","","0.71073","MoKα","","0.0931","0.0519","","","0.0944","0.108","","","","","","1.045","","","","has coordinates,has disorder","229175","2020-10-21","18:00:00",""
"7046921","11.5379","0.0007","13.6588","0.0009","15.6212","0.001","86.799","0.001","69.201","0.001","69.03","0.001","2141.8","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H33 Cl F12 Ir N7 O2 P2 -","- C39 H33 Cl F12 Ir N7 O2 P2 -","- C78 H66 Cl2 F24 Ir2 N14 O4 P4 -","2","1","","Qu, Zhong-Ze; Gao, Tai-Bao; Wen, Jing; Rui, Kai; Ma, Haibo; Cao, Deng-Ke","Cyclometalated Ir(iii) complexes [Ir(tpy)(bbibH<sub>2</sub>)Cl][PF<sub>6</sub>] and [Ir(tpy)(bmbib)Cl][PF<sub>6</sub>]: intramolecular ππ interactions leading to facile synthesis and enhanced luminescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9779","9786","10.1039/c8dt01922c","","","0.71073","MoKα","","0.0728","0.053","","","0.1301","0.1472","","","","","","1.037","","","","has coordinates,has disorder","229166","2020-10-21","18:00:00",""
"7046922","6.6231","0.0002","11.3213","0.0003","28.701","0.0009","92.208","0.002","91.584","0.002","90.2","0.002","2149.62","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- B28 K11 O48 Rb -","- B28 K11 O48 Rb -","- B56 K22 O96 Rb2 -","2","1","","Jiang, Dequan; Wang, Ying; Zhang, Bingbing; Han, Guopeng; Yang, Zhihua; Pan, Shilie","K<sub>11</sub>RbB<sub>28</sub>O<sub>48</sub>: a new triple-layered borate with an unprecedented [B<sub>28</sub>O<sub>57</sub>] fundamental building block.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10833","10836","10.1039/c8dt02095g","","","0.71073","MoKα","","0.1361","0.0719","","","0.1805","0.22","","","","","","1.049","","","","has coordinates","229370","2020-10-21","18:00:00",""
"7046923","7.911","0.002","7.6175","0.0018","11.328","0.003","90","","98.728","0.003","90","","674.7","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cr N4 S2 -","- C14 H12 Cr N4 S2 -","- C28 H24 Cr2 N8 S4 -","2","0.5","","Shuku, Yoshiaki; Hirai, Yuta; Semenov, Nikolay A.; Kadilenko, Evgeny; Gritsan, Nina P.; Zibarev, Andrey V.; Rakitin, Oleg A.; Awaga, Kunio","3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9897","9902","10.1039/c8dt02214c","","","0.71075","MoKα","","0.0336","0.0285","","","0.0691","0.0721","","","","","","1.058","","","","has coordinates","229172","2020-10-21","18:00:00",""
"7046924","12.018","0.003","14.091","0.003","26.904","0.006","90","","92.736","0.004","90","","4550.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Cd3 N4 O19 -","- C28 H18 Cd3 N4 O19 -","- C112 H72 Cd12 N16 O76 -","4","1","","Tong, Wen-Quan; Liu, Wei-Ni; Cheng, Jian-Guo; Zhang, Peng-Feng; Li, Gao-Peng; Hou, Lei; Wang, Yao-Yu","A new stable luminescent Cd(ii) metal-organic framework with fluorescent sensing and selective dye adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9466","9473","10.1039/c8dt01694a","","","0.71073","MoKα","","0.1113","0.102","","","0.281","0.2884","","","","","","1.067","","","","has coordinates","229199","2020-10-21","18:00:00",""
"7046925","16.1584","0.0006","24.8434","0.0011","23.591","0.001","90","","90","","90","","9470.1","0.7","153","2","153","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C60 H151 Na O28 Sn12 -","- C60 H140 Na O28 Sn12 -","- C240 H560 Na4 O112 Sn48 -","4","0.5","","Hutchison, Danielle C.; Stern, Rebecca D.; Olsen, Morgan R.; Zakharov, Lev N.; Persson, Kristin A.; Nyman, May","Alkyltin clusters: the less symmetric Keggin isomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9804","9813","10.1039/c8dt01950a","","","1.54178","CuKα","","0.1143","0.072","","","0.1765","0.2131","","","","","","1.056","","","","has coordinates,has disorder","229170","2020-10-21","18:00:00",""
"7046926","19.0758","0.0006","24.1794","0.001","21.0889","0.0007","90","","94.047","0.002","90","","9702.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H151 Na O28 Sn12 -","- C60 H144 Na O28 Sn12 -","- C240 H576 Na4 O112 Sn48 -","4","1","","Hutchison, Danielle C.; Stern, Rebecca D.; Olsen, Morgan R.; Zakharov, Lev N.; Persson, Kristin A.; Nyman, May","Alkyltin clusters: the less symmetric Keggin isomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9804","9813","10.1039/c8dt01950a","","","1.54178","CuKα","","0.1384","0.075","","","0.1934","0.2397","","","","","","1.051","","","","has coordinates,has disorder","229170","2020-10-21","18:00:00",""
"7046927","24.0683","0.0008","18.8014","0.0006","24.5975","0.0007","90","","113.891","0.0017","90","","10177.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H159 Na O29 Sn13 -","- C64 H153 Na O29 Sn13 -","- C256 H612 Na4 O116 Sn52 -","4","1","","Hutchison, Danielle C.; Stern, Rebecca D.; Olsen, Morgan R.; Zakharov, Lev N.; Persson, Kristin A.; Nyman, May","Alkyltin clusters: the less symmetric Keggin isomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9804","9813","10.1039/c8dt01950a","","","1.54178","CuKα","","0.1315","0.0857","","","0.2133","0.2601","","","","","","1.059","","","","has coordinates,has disorder","229170","2020-10-21","18:00:00",""
"7046928","10.5698","0.0004","21.1564","0.0009","12.7711","0.0005","90","","100.017","0.001","90","","2812.33","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Cl Mn N2 O7 P -","- C31 H23 Cl Mn N2 O7 P -","- C124 H92 Cl4 Mn4 N8 O28 P4 -","4","1","","Jiménez-Amezcua, Ignacio; Carmona, Francisco J.; Romero-García, Ignacio; Quirós, Miguel; Cenis, José L; Lozano-Pérez, A Abel; Maldonado, Carmen R.; Barea, Elisa","Silk fibroin nanoparticles as biocompatible nanocarriers of a novel light-responsive CO-prodrug.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10434","10438","10.1039/c8dt02125b","","","0.71073","MoKα","","0.0994","0.0505","","","0.0824","0.0954","","","","","","1.023","","","","has coordinates","229837","2020-10-21","18:00:00",""
"7046929","6.2281","0.0002","9.4499","0.0004","10.616","0.0007","73.814","0.005","80.723","0.006","75.136","0.005","577.24","0.05","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N4 O18 Sr2 -","- C12 H4 N4 O18 Sr2 -","- C12 H4 N4 O18 Sr2 -","1","1","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","0.0447","0.0418","","","0.1125","0.1175","","","","","","1.083","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046930","6.9599","0.0006","7.1381","0.0004","9.3226","0.0006","92.721","0.007","105.178","0.007","110.866","0.008","412.56","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C12 H16 N4 O12 -","2","1","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0463","","","","0.1674","","","","","","0.89","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046931","11.6399","0.0012","5.8956","0.0004","15.1677","0.0014","90","","104.286","0.007","90","","1008.68","0.16","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Ca N2 O8 -","- C6 H10 Ca N2 O8 -","- C24 H40 Ca4 N8 O32 -","4","0.5","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0437","","","","0.1057","","","","","","1.094","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046932","6.5656","0.0008","8.5184","0.0011","9.2413","0.001","105.14","0.005","95.387","0.004","99.325","0.007","487.26","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Ca N2 O7 -","- C6 H8 Ca N2 O7 -","- C12 H16 Ca2 N4 O14 -","2","1","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0449","","","","0.1215","","","","","","1.063","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046933","11.703","0.0006","16.1087","0.0008","7.3641","0.0005","90","","116.03","0.008","90","","1247.46","0.15","293","","293","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C6 H10 Ba N2 O10 -","- C6 H2 Ba N2 O9 -","- C24 H8 Ba4 N8 O36 -","4","1","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0246","","","","0.081","","","","","","1.245","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046934","19.8986","0.0017","6.9856","0.0005","6.3382","0.0005","90","","96.274","0.007","90","","875.76","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H2 Ba N2 O6 -","- C6 H2 Ba N2 O6 -","- C24 H8 Ba4 N8 O24 -","4","0.5","","Tang, Yiwen; Soares, Alexandre Cavaco; Ferbinteanu, Marilena; Gao, Yuan; Rothenberg, Gadi; Tanase, Stefania","Coordination polymers from alkaline-earth nodes and pyrazine carboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10071","10079","10.1039/c8dt02177e","","","0.71075","MoKα","","","0.0361","","","","0.0932","","","","","","1.118","","","","has coordinates","229813","2020-10-21","18:00:00",""
"7046935","11.3241","0.0014","5.9908","0.0007","19.47","0.003","90","","98.203","0.002","90","","1307.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H28 N4 Ni O10 S -","- C26 H28 N4 Ni O10 S -","- C52 H56 N8 Ni2 O20 S2 -","2","0.5","","Wang, Xiuli; Xiong, Ying; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","Polycarboxylate-directed semi-rigid pyridyl-amide-based various Ni<sup>II</sup> complexes: electrochemical properties and enhancements of photocatalytic activities by calcination.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9903","9911","10.1039/c8dt00836a","","","0.71073","MoKα","","0.0587","0.0391","","","0.0908","0.1003","","","","","","1.004","","","","has coordinates","229171","2020-10-21","18:00:00",""
"7046936","13.6891","0.0009","14.2539","0.0009","16.5959","0.001","86.647","0.001","87.356","0.001","64.831","0.001","2925","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H62 N8 Ni2 O21 -","- C56 H62 N8 Ni2 O21 -","- C112 H124 N16 Ni4 O42 -","2","1","","Wang, Xiuli; Xiong, Ying; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","Polycarboxylate-directed semi-rigid pyridyl-amide-based various Ni<sup>II</sup> complexes: electrochemical properties and enhancements of photocatalytic activities by calcination.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9903","9911","10.1039/c8dt00836a","","","0.71073","MoKα","","0.0981","0.0569","","","0.146","0.1732","","","","","","1.007","","","","has coordinates","229171","2020-10-21","18:00:00",""
"7046937","12.3335","0.0006","14.1746","0.0007","17.1395","0.0008","103.972","0.001","95.222","0.001","91.738","0.001","2891.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N8 Ni2 O17 -","- C58 H58 N8 Ni2 O17 -","- C116 H116 N16 Ni4 O34 -","2","1","","Wang, Xiuli; Xiong, Ying; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","Polycarboxylate-directed semi-rigid pyridyl-amide-based various Ni<sup>II</sup> complexes: electrochemical properties and enhancements of photocatalytic activities by calcination.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9903","9911","10.1039/c8dt00836a","","","0.71073","MoKα","","0.0747","0.0491","","","0.1556","0.1777","","","","","","1.007","","","","has coordinates","229171","2020-10-21","18:00:00",""
"7046938","10.1922","0.0006","10.6522","0.0006","17.2595","0.001","84.583","0.001","87.635","0.001","80.777","0.001","1840.72","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H76 N12 Ni3 O26 -","- C78 H76 N12 Ni3 O26 -","- C78 H76 N12 Ni3 O26 -","1","0.5","","Wang, Xiuli; Xiong, Ying; Liu, Guocheng; Lin, Hongyan; Wang, Xiang","Polycarboxylate-directed semi-rigid pyridyl-amide-based various Ni<sup>II</sup> complexes: electrochemical properties and enhancements of photocatalytic activities by calcination.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9903","9911","10.1039/c8dt00836a","","","0.71073","MoKα","","0.0692","0.0448","","","0.1046","0.1167","","","","","","1.005","","","","has coordinates","229171","2020-10-21","18:00:00",""
"7046939","9.1291","0.0005","17.0931","0.0006","19.4531","0.001","90","","95.954","0.004","90","","3019.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Li N2 O2 P3 -","- C24 H54 Li N2 O2 P3 -","- C96 H216 Li4 N8 O8 P12 -","4","1","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","0.71073","MoKα","","0.07","0.0479","","","0.1176","0.1362","","","","","","1.065","","","","has coordinates","229816","2020-10-21","18:00:00",""
"7046940","10.509","0.0005","20.842","0.0009","18.5788","0.0008","90","","98.817","0.004","90","","4021.2","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl N2 P3 W -","- C36 H62 Cl N2 P3 W -","- C144 H248 Cl4 N8 P12 W4 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","1.54186","CuKα","","0.0862","0.0764","","","0.1955","0.2261","","","","","","1.179","","","","has coordinates","229816","2020-10-21","18:00:00",""
"7046941","10.5885","0.0016","20.9626","0.0016","18.7533","0.0017","90","","99.04","0.01","90","","4110.8","0.8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 Cl Mo N2 P3 -","- C36 H62 Cl Mo N2 P3 -","- C144 H248 Cl4 Mo4 N8 P12 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","0.71073","MoKα","","0.0871","0.0624","","","0.1297","0.1488","","","","","","1.013","","","","has coordinates","229816","2020-10-21","18:00:00",""
"7046942","11.0012","0.001","20.8791","0.0014","22.0534","0.0014","105.878","0.005","102.963","0.006","102.3","0.007","4540.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H72 Cl Mo N4 P3 -","- C40 H72 Cl Mo N4 P3 -","- C160 H288 Cl4 Mo4 N16 P12 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","x-ray","0.71073","MoKα","","0.0564","0.0428","","","0.1089","0.1162","","","","","","1.049","","","","has coordinates,has disorder","229816","2020-10-21","18:00:00",""
"7046943","11.0041","0.0004","20.8898","0.0007","22.1047","0.0007","106.063","0.003","102.935","0.003","101.944","0.003","4558.6","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H72 Cl N4 P3 W -","- C40 H72 Cl N4 P3 W -","- C160 H288 Cl4 N16 P12 W4 -","4","2","","Wiśniewska, A; Grubba, R.; Ponikiewski, Ł; Zauliczny, M.; Pikies, J.","The new diphosphanylphosphido complexes of tungsten(vi) and molybdenum(vi). Their synthesis, structures and properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10213","10222","10.1039/c8dt01977k","","","0.71073","MoKα","","0.095","0.0618","","","0.1476","0.1641","","","","","","0.95","","","","has coordinates,has disorder","229816","2020-10-21","18:00:00",""
"7046944","4.9978","0.0006","6.6592","0.0008","11.1836","0.0013","90","","90.575","0.004","90","","372.19","0.08","273","2","273","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ca6.04 Li0.3 Mg1.96 O16 Si3.7 -","- Ca6.042 Li0.304 Mg1.958 O16 Si3.696 -","- Ca6.042 Li0.304 Mg1.958 O16 Si3.696 -","1","0.25","","Ji, Weiwei; Xia, Zhiguo; Liu, Ke; Ali Khan, Sayed; Hao, Luyuan; Xu, Xin; Yin, Liangjun; Molokeev, Maxim S.; Agathopoulos, Simeon; Yang, Wenyun; Ma, Xiaobai; Sun, Kai; da Silva, Ivan","The crystal structure and luminescence properties of a novel green-yellow emitting Ca<sub>1.5</sub>Mg<sub>0.5</sub>Si<sub>1-x</sub>Li<sub>x</sub>O<sub>4-δ</sub>:Ce<sup>3+</sup> phosphor with high quantum efficiency and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9834","9844","10.1039/c8dt02241k","","","0.71073","MoKα","","0.0393","0.0254","","","0.0428","0.0457","","","","","","1.064","","","","has coordinates","229174","2020-10-21","18:00:00",""
"7046945","9.3416","0.0004","5.3045","0.0003","13.2848","0.0007","90","","92.088","0.002","90","","657.86","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ca12 Li0.16 Mg4 O32 Si7.84 -","- Ca12 Li0.156 Mg4 O32 Si7.844 -","- Ca12 Li0.156 Mg4 O32 Si7.844 -","1","0.25","","Ji, Weiwei; Xia, Zhiguo; Liu, Ke; Ali Khan, Sayed; Hao, Luyuan; Xu, Xin; Yin, Liangjun; Molokeev, Maxim S.; Agathopoulos, Simeon; Yang, Wenyun; Ma, Xiaobai; Sun, Kai; da Silva, Ivan","The crystal structure and luminescence properties of a novel green-yellow emitting Ca<sub>1.5</sub>Mg<sub>0.5</sub>Si<sub>1-x</sub>Li<sub>x</sub>O<sub>4-δ</sub>:Ce<sup>3+</sup> phosphor with high quantum efficiency and thermal stability.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9834","9844","10.1039/c8dt02241k","","","0.71073","MoKα","","0.0343","0.0295","","","0.078","0.0811","","","","","","1.064","","","","has coordinates","229174","2020-10-21","18:00:00",""
"7046946","17.8378","0.0009","18.8895","0.0008","22.3559","0.001","90","","90","","90","","7532.8","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C296 H284 Cl44 N16 O8 P8 Pt8 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.0598","0.0404","","","0.0823","0.0893","","","","","","1.001","","","","has coordinates","229814","2020-10-21","18:00:00",""
"7046947","14.5011","0.0011","22.6547","0.0017","23.2331","0.0018","90","","103.376","0.001","90","","7425.4","1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C154 H149 Cl4 N13 O13 P4 Pt4 -","- C154 H149 Cl4 N13 O13 P4 Pt4 -","- C308 H298 Cl8 N26 O26 P8 Pt8 -","2","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.049","0.0432","","","0.1048","0.1069","","","","","","1.041","","","","has coordinates,has disorder","229814","2020-10-21","18:00:00",""
"7046948","17.8626","0.0006","18.8915","0.0006","22.3609","0.0006","90","","90","","90","","7545.7","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C296 H284 Cl44 N16 O8 P8 Pt8 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.0609","0.0434","","","0.0873","0.0946","","","","","","1.002","","","","has coordinates","229814","2020-10-21","18:00:00",""
"7046949","25.392","0.005","21.778","0.002","21.355","0.004","90","","111.99","0.02","90","","10950","3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C118 H172 Al2 N4 O6 -","- C118 H172 Al2 N4 O6 -","- C472 H688 Al8 N16 O24 -","4","1","","Dardun, Vincent; Escomel, Léon; Jeanneau, Erwann; Camp, Clément","On the alcoholysis of alkyl-aluminum(iii) alkoxy-NHC derivatives: reactivity of the Al-carbene Lewis pair versus Al-alkyl.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10429","10433","10.1039/c8dt01498a","","x-ray","0.71073","MoKα","","0.1097","0.0647","","0.1807","0.1206","0.1807","","","","","","0.9832","","","","has coordinates","229842","2020-10-21","18:00:00",""
"7046950","16.3437","0.0011","9.641","0.0008","30.959","0.003","90","","90","","90","","4878.2","0.7","150.01","0.1","150.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H39 Al N2 O -","- C24 H39 Al N2 O -","- C192 H312 Al8 N16 O8 -","8","2","","Dardun, Vincent; Escomel, Léon; Jeanneau, Erwann; Camp, Clément","On the alcoholysis of alkyl-aluminum(iii) alkoxy-NHC derivatives: reactivity of the Al-carbene Lewis pair versus Al-alkyl.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10429","10433","10.1039/c8dt01498a","","x-ray","0.71073","MoKα","","0.1212","0.102","","0.2342","0.1918","0.2342","","","","","","1.0011","","","","has coordinates","229842","2020-10-21","18:00:00",""
"7046951","23.374","0.003","14.3114","0.0009","26.926","0.003","90","","122.947","0.017","90","","7559","2","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H107 Al K N2 O7 -","- C66 H107 Al K N2 O7 -","- C264 H428 Al4 K4 N8 O28 -","4","1","","Dardun, Vincent; Escomel, Léon; Jeanneau, Erwann; Camp, Clément","On the alcoholysis of alkyl-aluminum(iii) alkoxy-NHC derivatives: reactivity of the Al-carbene Lewis pair versus Al-alkyl.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10429","10433","10.1039/c8dt01498a","","x-ray","0.71073","MoKα","","0.0684","0.0531","","0.1091","0.0896","0.1091","","","","","","0.9407","","","","has coordinates","229842","2020-10-21","18:00:00",""
"7046952","8.9651","0.0004","11.5193","0.0006","13.0076","0.0007","76.314","0.004","73.637","0.005","80.38","0.004","1245.02","0.11","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 Cl O6 Ru S5 -","- C18 H27 Cl O6 Ru S5 -","- C36 H54 Cl2 O12 Ru2 S10 -","2","1","","Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12838","12842","10.1039/c8dt02408a","","","1.54184","CuKα","","0.0558","0.0528","","","0.1438","0.1485","","","","","","1.039","","","","has coordinates,has disorder","229295","2020-10-21","18:00:00",""
"7046953","9.5445","0.0004","15.1103","0.0006","15.3485","0.0005","100.172","0.003","106.85","0.003","108.038","0.004","1926.19","0.15","193","0.14","193","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C30 H38 Cl2 N4 O9 Ru S4 -","- C30 H38 Cl2 N4 O9 Ru S4 -","- C60 H76 Cl4 N8 O18 Ru2 S8 -","2","1","","Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12838","12842","10.1039/c8dt02408a","","","1.54184","CuKα","","0.0592","0.0571","","","0.1615","0.1656","","","","","","1.033","","","","has coordinates,has disorder","229295","2020-10-21","18:00:00",""
"7046954","12.9174","0.0007","13.5973","0.0008","21.5012","0.001","76.549","0.004","78.742","0.004","65.66","0.005","3325.3","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Cl2 N3 O9 Ru S3 -","- C24 H25 Cl2 N3 O9 Ru S3 -","- C96 H100 Cl8 N12 O36 Ru4 S12 -","4","2","","Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12838","12842","10.1039/c8dt02408a","","","0.71073","MoKα","","0.069","0.0449","","","0.0994","0.1127","","","","","","1.016","","","","has coordinates","229295","2020-10-21","18:00:00",""
"7046955","14.0052","0.0002","14.0258","0.0002","20.0904","0.0003","90","","106.91","0.002","90","","3775.81","0.1","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 Cl2 N5 O9 Ru S3 -","- C34 H35 Cl2 N5 O9 Ru S3 -","- C136 H140 Cl8 N20 O36 Ru4 S12 -","4","1","","Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12838","12842","10.1039/c8dt02408a","","","1.54184","CuKα","","0.0355","0.0344","","","0.0868","0.0875","","","","","","1.042","","","","has coordinates,has disorder","229295","2020-10-21","18:00:00",""
"7046956","10.071","0.0001","19.7495","0.0002","13.7051","0.0001","90","","92.107","0.001","90","","2724.06","0.04","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl2 N O5 Ru S4 -","- C24 H29 Cl2 N O5 Ru S4 -","- C96 H116 Cl8 N4 O20 Ru4 S16 -","4","1","","Chung, Lai-Hon; Ng, Sze-Wing; Yeung, Chi-Fung; Shek, Hau-Lam; Tse, Sheung-Ying; Lo, Hoi-Shing; Chan, Siu-Chung; Tse, Man-Kit; Yiu, Shek-Man; Wong, Chun-Yuen","Ruthenium-indolizinone complexes as a new class of metalated heterocyclic compounds: insight into unconventional alkyne activation pathways, revelation of unexpected electronic properties and exploration of medicinal application.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12838","12842","10.1039/c8dt02408a","","","1.54184","CuKα","","0.0345","0.0319","","","0.0842","0.0867","","","","","","1.028","","","","has coordinates","229295","2020-10-21","18:00:00",""
"7046957","10.7191","0.0005","13.3649","0.0006","14.3514","0.0007","90.835","0.002","100.446","0.002","110.079","0.002","1892.43","0.16","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C19 H29 O3 P S -","- C19 H29 O3 P S -","- C76 H116 O12 P4 S4 -","4","2","","Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.","ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10139","10146","10.1039/c8dt02400f","","x-ray","0.71073","MoKα","","0.0305","0.0277","","","0.0742","0.0767","","","","","","1.052","","","","has coordinates","229809","2020-10-21","18:00:00",""
"7046958","8.5873","0.0012","11.2568","0.0015","14.919","0.002","109.369","0.004","102.428","0.005","95.686","0.004","1305.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cl4 O5 P S -","- C23 H25 Cl4 O5 P S -","- C46 H50 Cl8 O10 P2 S2 -","2","1","","Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.","ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10139","10146","10.1039/c8dt02400f","","","0.71073","MoKα","","0.0323","0.0287","","0.0378","0.0339","0.0335","","","","","","1.033","","","","has coordinates","229809","2020-10-21","18:00:00",""
"7046959","10.7641","0.0008","7.7851","0.0006","25.9961","0.0019","90","","95.025","0.002","90","","2170.1","0.3","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl3 O3 P S -","- C18 H26 Cl3 O3 P S -","- C72 H104 Cl12 O12 P4 S4 -","4","1","","Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.","ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10139","10146","10.1039/c8dt02400f","","x-ray","0.71073","MoKα","","0.0823","0.0798","","","0.1939","0.1956","","","","","","1.069","","","","has coordinates","229809","2020-10-21","18:00:00",""
"7046960","8.6703","0.0003","11.0228","0.0003","13.1457","0.0004","90","","91.186","0.003","90","","1256.08","0.07","123","0.1","123","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Ru2 -","- C30 H38 Ru2 -","- C60 H76 Ru4 -","2","0.5","","Herrmann, Dirk; Rödl, Christian; de Bruin, Bas; Hartl, František; Wolf, Robert","Synthesis, electronic structure and redox properties of the diruthenium sandwich complexes [Cp*Ru(μ-C<sub>10</sub>H<sub>8</sub>)RuCp*]<sup>x</sup> (x = 0, 1+; Cp* = C<sub>5</sub>Me<sub>5</sub>; C<sub>10</sub>H<sub>8</sub> = naphthalene).","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11058","11069","10.1039/c8dt02003e","","","1.54178","CuKα","","0.0572","0.0548","","","0.1448","0.1457","","","","","","1.085","","","","has coordinates","229371","2020-10-21","18:00:00",""
"7046961","20.249","0.019","24.77","0.02","26.23","0.02","111.143","0.012","90.835","0.013","102.933","0.013","11893","17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C360 H304 Co16 N8 O84 S16 -","- C360 H296 Co16 N8 O84 S16 -","- C360 H296 Co16 N8 O84 S16 -","1","0.5","","Sun, Cheng-Zhe; Cheng, Li-Ji; Qiao, Yupu; Zhang, Li-Yi; Chen, Zhong-Ning; Dai, Feng-Rong; Lin, Wei; Wang, Zhenqiang","Stimuli-responsive metal-organic supercontainers as synthetic proton receptors.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10256","10263","10.1039/c8dt01900b","","","0.71073","MoKα","","0.1613","0.1155","","","0.3017","0.3441","","","","","","1.09","","","","has coordinates","229811","2020-10-21","18:00:00",""
"7046962","20.5268","0.0013","25.0518","0.0016","26.6569","0.0017","111.239","0.003","90.99","0.003","102.756","0.003","12389.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C360 H304 N8 O84 S16 Zn16 -","- C360 H294 N8 O84 S16 Zn16 -","- C360 H294 N8 O84 S16 Zn16 -","1","0.5","","Sun, Cheng-Zhe; Cheng, Li-Ji; Qiao, Yupu; Zhang, Li-Yi; Chen, Zhong-Ning; Dai, Feng-Rong; Lin, Wei; Wang, Zhenqiang","Stimuli-responsive metal-organic supercontainers as synthetic proton receptors.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10256","10263","10.1039/c8dt01900b","","","0.71073","MoKα","","0.0586","0.046","","","0.1295","0.1457","","","","","","1.045","","","","has coordinates,has disorder","229811","2020-10-21","18:00:00",""
"7046963","9.4481","0.0002","15.9169","0.0004","11.5813","0.0003","90","","107.178","0.001","90","","1663.96","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cu2 N4 O4 -","- C36 H44 Cu2 N4 O4 -","- C72 H88 Cu4 N8 O8 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0322","0.0319","","","0.0933","0.0935","","","","","","1.091","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046964","10.529","0.0004","6.0011","0.0002","20.1597","0.0008","90","","99.976","0.001","90","","1254.54","0.08","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl4 Cu N2 O2 -","- C28 H20 Cl4 Cu N2 O2 -","- C56 H40 Cl8 Cu2 N4 O4 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0332","0.0316","","","0.0844","0.0859","","","","","","1.099","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046965","9.8698","0.0001","14.754","0.0002","14.216","0.0002","90","","92.185","0.001","90","","2068.62","0.05","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 Cu2 N4 O4 -","- C48 H52 Cu2 N4 O4 -","- C96 H104 Cu4 N8 O8 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.034","0.0329","","","0.0903","0.0916","","","","","","1.063","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046966","9.9716","0.0003","17.7646","0.0005","11.758","0.0003","90","","92.535","0.001","90","","2080.79","0.1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cu2 N4 O4 -","- C52 H44 Cu2 N4 O4 -","- C104 H88 Cu4 N8 O8 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.032","0.0315","","","0.0866","0.0873","","","","","","1.039","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046967","8.0732","0.0005","19.5258","0.0011","24.4945","0.0014","90","","94.265","0.003","90","","3850.5","0.4","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl4 Cu2 N4 O4 -","- C40 H32 Cl4 Cu2 N4 O4 -","- C160 H128 Cl16 Cu8 N16 O16 -","4","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0809","0.0721","","","0.1594","0.1635","","","","","","1.162","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046968","14.7942","0.0004","12.6835","0.0004","14.0429","0.0004","90","","91.93","0.001","90","","2633.55","0.13","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl4 Cu N2 O2 -","- C26 H28 Cl4 Cu N2 O2 -","- C104 H112 Cl16 Cu4 N8 O8 -","4","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0506","0.0467","","","0.1191","0.1228","","","","","","1.04","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046969","11.8306","0.0004","13.9522","0.0005","17.0501","0.0006","102.745","0.002","90.632","0.002","90.424","0.002","2744.69","0.17","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H76 Cu2 N4 O4 -","- C63 H76 Cu2 N4 O4 -","- C126 H152 Cu4 N8 O8 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0615","0.06","","","0.1638","0.1658","","","","","","1.063","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046970","14.806","0.0002","6.7925","0.0001","17.301","0.0003","90","","112.527","0.001","90","","1607.2","0.04","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu2 N2 O6 -","- C26 H22 Cu2 N2 O6 -","- C52 H44 Cu4 N4 O12 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0347","0.0324","","","0.0877","0.0899","","","","","","1.098","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046971","14.3106","0.0005","12.1062","0.0005","14.6604","0.0006","90","","96.816","0.002","90","","2521.92","0.17","100","","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C120 H112 Cu4 N8 O8 -","4","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.069","0.0512","","","0.1207","0.1305","","","","","","1.054","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046972","11.9633","0.0002","9.3657","0.0002","15.1921","0.0003","90","","98.724","0.001","90","","1682.5","0.06","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cu2 N6 O6 -","- C36 H38 Cu2 N6 O6 -","- C72 H76 Cu4 N12 O12 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0297","0.0287","","","0.0794","0.0807","","","","","","1.057","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046973","20.7678","0.0003","6.1183","0.0001","18.9079","0.0003","90","","97.71","","90","","2380.79","0.06","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 Cu2 N2 O6 -","- C22 H30 Cu2 N2 O6 -","- C88 H120 Cu8 N8 O24 -","4","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0227","0.0227","","","0.0626","0.0626","","","","","","1.061","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046974","10.9595","0.0005","11.4816","0.0005","12.5663","0.0005","82.603","0.002","88.935","0.002","74.196","0.002","1508.59","0.11","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H84 Cu2 N4 O4 -","- C64 H84 Cu2 N4 O4 -","- C64 H84 Cu2 N4 O4 -","1","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0721","0.0627","","","0.1606","0.1689","","","","","","1.052","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046975","25.7609","0.0011","9.3613","0.0004","21.018","0.0009","90","","104.466","0.002","90","","4907.9","0.4","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H84 Cu2 N4 O4 -","- C50 H84 Cu2 N4 O4 -","- C200 H336 Cu8 N16 O16 -","4","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0623","0.0605","","","0.1622","0.1664","","","","","","1.1","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046976","11.0291","0.0003","9.5222","0.0003","16.5393","0.0005","90","","96.603","0.001","90","","1725.46","0.09","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H32 Cl4 Cu N2 O2 -","- C37 H32 Cl4 Cu N2 O2 -","- C74 H64 Cl8 Cu2 N4 O4 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0251","0.0249","","","0.0661","0.0664","","","","","","1.129","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046977","17.4037","0.0005","10.2071","0.0003","18.7364","0.0005","90","","111.805","0.001","90","","3090.23","0.15","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cu N2 O2 -","- C40 H32 Cu N2 O2 -","- C160 H128 Cu4 N8 O8 -","4","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0582","0.0473","","","0.1247","0.1342","","","","","","1.052","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046978","10.494","0.002","11.15","0.002","15.86","0.003","90.01","0.03","106.5","0.03","104.32","0.03","1719.1","0.7","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cu2 N4 O4 -","- C34 H52 Cu2 N4 O4 -","- C68 H104 Cu4 N8 O8 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.1512","0.107","","","0.2828","0.3292","","","","","","1.055","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046979","10.1218","0.0003","9.0847","0.0002","12.4074","0.0003","90","","107.042","0.001","90","","1090.81","0.05","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cu N2 O2 -","- C28 H24 Cu N2 O2 -","- C56 H48 Cu2 N4 O4 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.089","0.0795","","","0.2431","0.2531","","","","","","1.068","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046980","8.4189","0.0003","8.9201","0.0003","12.4839","0.0004","72.893","0.001","72.331","0.001","87.649","0.001","852.56","0.05","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Cl4 Cu N2 O2 -","- C40 H28 Cl4 Cu N2 O2 -","- C40 H28 Cl4 Cu N2 O2 -","1","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.34139","GaKα","","0.0445","0.0441","","","0.124","0.1244","","","","","","1.08","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046981","10.2124","0.0004","13.4671","0.0006","11.5479","0.0005","90","","90.556","0.001","90","","1588.12","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cu2 N4 O4 -","- C32 H48 Cu2 N4 O4 -","- C64 H96 Cu4 N8 O8 -","2","0.5","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0273","0.027","","","0.0738","0.0742","","","","","","1.083","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046982","21.3119","0.0006","9.3432","0.0003","23.0794","0.0007","90","","99.239","0.001","90","","4536","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","- C208 H256 Cu8 N16 O16 -","8","2","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0358","0.0348","","","0.0986","0.1001","","","","","","1.034","","","","has coordinates","229802","2020-10-21","18:00:00",""
"7046983","11.271","0.0005","25.1487","0.001","11.9113","0.0005","90","","108.617","0.002","90","","3199.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H88 Cu2 N4 O4 -","- C72 H88 Cu2 N4 O4 -","- C144 H176 Cu4 N8 O8 -","2","1","","Daneshmand, Pargol; Pinon, Leena; Schaper, Frank","Dinuclear iminophenoxide copper complexes in rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10147","10161","10.1039/c8dt02140f","","","1.54178","CuKα","","0.0264","0.0262","","","0.0709","0.0712","","","","","","1.036","","","","has coordinates,has disorder","229802","2020-10-21","18:00:00",""
"7046984","12.5609","0.0002","13.247","0.0002","14.0353","0.0002","107.157","0.0014","101.285","0.0013","92.1445","0.0014","2177.01","0.06","95","0.1","95","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Mo5 N4 O28 P2 -","- C24 H44 Mo5 N4 O28 P2 -","- C48 H88 Mo10 N8 O56 P4 -","2","1","","Harchani, Ali; Kučeráková, Monika; Dušek, Michal; Haddad, Amor","Structures, electronic properties, reactivity and dynamic studies of three new polyoxometalate compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10965","10975","10.1039/c8dt02205d","","x-ray","1.54184","CuKα","","0.0271","0.0223","","","0.0533","0.0554","","","","1.31","1.31","1.28","","","","has coordinates","229361","2020-10-21","18:00:00",""
"7046985","16.3798","0.0003","16.3798","0.0003","50.2781","0.0005","90","","90","","120","","11682.3","0.3","120","0.1","120","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C6 H24 Mo12 N3 O40.343 P -","- C6 H24 Mo12 N3 O40.345 P -","- C72 H288 Mo144 N36 O484.14 P12 -","12","0.333333","","Harchani, Ali; Kučeráková, Monika; Dušek, Michal; Haddad, Amor","Structures, electronic properties, reactivity and dynamic studies of three new polyoxometalate compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10965","10975","10.1039/c8dt02205d","","x-ray","0.71073","MoKα","","0.0208","0.0163","","","0.0483","0.0496","","","","1.7","1.7","1.64","","","","has coordinates","229361","2020-10-21","18:00:00",""
"7046986","15.8583","0.0006","17.3578","0.0005","14.8499","0.0004","90","","114.933","0.003","90","","3706.7","0.2","95","0.1","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H93 Mo10 N11 O51 P4 -","- C23 H93 Mo10 N11 O51 P4 -","- C46 H186 Mo20 N22 O102 P8 -","2","0.5","","Harchani, Ali; Kučeráková, Monika; Dušek, Michal; Haddad, Amor","Structures, electronic properties, reactivity and dynamic studies of three new polyoxometalate compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10965","10975","10.1039/c8dt02205d","","x-ray","1.54184","CuKα","","0.0278","0.0231","","","0.0556","0.0582","","","","1.2","1.2","1.18","","","","has coordinates","229361","2020-10-21","18:00:00",""
"7046987","9.3142","0.0004","16.0816","0.0007","14.3879","0.0006","90","","95.313","0.002","90","","2145.86","0.16","152","2","152","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Al Br O Si2 -","- C18 H28 Al Br O Si2 -","- C72 H112 Al4 Br4 O4 Si8 -","4","1","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.0881","0.045","","","0.0954","0.1084","","","","","","0.999","","","","has coordinates,has disorder","229822","2020-10-21","18:00:00",""
"7046988","9.7469","0.0017","20.074","0.004","14.418","0.003","90","","97.939","0.006","90","","2794","0.9","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Al Cl N2 Si2 -","- C25 H40 Al Cl N2 Si2 -","- C100 H160 Al4 Cl4 N8 Si8 -","4","1","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.1077","0.0585","","","0.1261","0.1451","","","","","","1.032","","","","has coordinates","229822","2020-10-21","18:00:00",""
"7046989","11.6832","0.0005","17.3962","0.001","13.8225","0.0008","90","","90","","90","","2809.3","0.3","102","2","102","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H40 Al Cl N2 S Si2 -","- C25 H40 Al Cl N2 S Si2 -","- C100 H160 Al4 Cl4 N8 S4 Si8 -","4","0.5","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.0477","0.0333","","","0.0769","0.084","","","","","","1.028","","","","has coordinates","229822","2020-10-21","18:00:00",""
"7046990","9.1113","0.0002","10.3235","0.0002","11.3696","0.0002","71.909","0.001","85.572","0.001","84.135","0.001","1010.07","0.04","152","2","152","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Al Cl O Si2 -","- C18 H28 Al Cl O Si2 -","- C36 H56 Al2 Cl2 O2 Si4 -","2","1","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.0361","0.0305","","","0.0876","0.0914","","","","","","1.034","","","","has coordinates,has disorder","229822","2020-10-21","18:00:00",""
"7046991","11.362","0.0006","13.9388","0.0007","13.4716","0.0006","90","","103.863","0.0019","90","","2071.39","0.18","142","2","142","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 Mg O2 Si2 -","- C18 H30 Mg O2 Si2 -","- C72 H120 Mg4 O8 Si8 -","4","1","","Haider, Wasim; Huch, Volker; Schäfer, André","Lewis base complexes of sila[2]aluminocenophanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10425","10428","10.1039/c8dt02491j","","","0.71073","MoKα","","0.0502","0.0344","","","0.0776","0.085","","","","","","1.008","","","","has coordinates","229822","2020-10-21","18:00:00",""
"7046992","16.0247","0.0004","6.6973","0.0001","24.9223","0.0006","90","","91.1148","0.0011","90","","2674.21","0.1","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 F3 O5 Re -","- C11 H12 F3 O5 Re -","- C88 H96 F24 O40 Re8 -","8","1","","Dyckhoff, Florian; Li, Su; Reich, Robert M.; Hofmann, Benjamin J.; Herdtweck, Eberhardt; Kühn, Fritz E","Synthesis, characterization and application of organorhenium(vii) trioxides in metathesis reactions and epoxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9755","9764","10.1039/c8dt02326c","","","0.71073","MoKα","","0.0138","0.013","","","0.029","0.0293","","","","","","1.16","","","","has coordinates","229186","2020-10-21","18:00:00",""
"7046993","10.264","0.0003","13.0928","0.0004","8.2318","0.0002","90","","90","","90","","1106.23","0.05","123","","123","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C9 H18 N O3 Re -","- C9 H18 N O3 Re -","- C36 H72 N4 O12 Re4 -","4","0.5","","Dyckhoff, Florian; Li, Su; Reich, Robert M.; Hofmann, Benjamin J.; Herdtweck, Eberhardt; Kühn, Fritz E","Synthesis, characterization and application of organorhenium(vii) trioxides in metathesis reactions and epoxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9755","9764","10.1039/c8dt02326c","","x-ray","0.71073","MoKα","","0.0154","0.0138","","","0.029","0.0294","","","","","","1.106","","","","has coordinates","229186","2020-10-21","18:00:00",""
"7046994","6.6339","0.0006","9.8331","0.0009","10.7312","0.001","106.871","0.004","94.897","0.004","94.758","0.004","663.17","0.11","123","","123","","","","","","","","see text","5","P -1","-P 1","2","","","","- C11 H12 F3 O4 Re -","- C11 H12 F3.003 O4 Re -","- C22 H24 F6.006 O8 Re2 -","2","1","","Dyckhoff, Florian; Li, Su; Reich, Robert M.; Hofmann, Benjamin J.; Herdtweck, Eberhardt; Kühn, Fritz E","Synthesis, characterization and application of organorhenium(vii) trioxides in metathesis reactions and epoxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9755","9764","10.1039/c8dt02326c","","x-ray","0.71073","MoKα","","0.0225","0.0203","","","0.0491","0.05","","","","","","1.202","","","","has coordinates,has disorder","229186","2020-10-21","18:00:00",""
"7046995","9.0132","0.0002","11.0476","0.0003","18.2117","0.0005","75.668","0.001","76.977","0.001","68.398","0.001","1615.34","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H26 Cl4 O2 P2 Ru -","- C32 H24 Cl2 O2 P2 Ru -","- C64 H48 Cl4 O4 P4 Ru2 -","2","1","","Mukherjee, Aparajita; Hrovat, David A.; Richmond, Michael G.; Bhattacharya, Samaresh","A new diphosphine-carbonyl complex of ruthenium: an efficient precursor for C-C and C-N bond coupling catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10264","10272","10.1039/c8dt01085d","","","0.71073","MoKα","","0.0305","0.0252","","","0.0571","0.0593","","","","","","1.049","","","","has coordinates","229800","2020-10-21","18:00:00",""
"7046996","10.563","0.003","14.9","0.004","19.515","0.005","110.305","0.017","93.09","0.02","92.671","0.018","2869.4","1.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H79 Al I2 N4 -","- C60 H79 Al I2 N4 -","- C120 H158 Al2 I4 N8 -","2","1","","Trose, Michael; Burnett, Stuart; Bonyhady, Simon J.; Jones, Cameron; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Normal and abnormal NHC coordination in cationic hydride iodide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10281","10287","10.1039/c8dt01798k","","","0.71075","MoKα","","0.1871","0.1093","","","0.2715","0.3086","","","","","","1.114","","","","has coordinates","229801","2020-10-21","18:00:00",""
"7046997","12.5143","0.0014","19.343","0.002","13.9711","0.0016","90","","99.898","0.002","90","","3331.6","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Al I2 N2 -","- C33 H41 Al I2 N2 -","- C132 H164 Al4 I8 N8 -","4","1","","Trose, Michael; Burnett, Stuart; Bonyhady, Simon J.; Jones, Cameron; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Normal and abnormal NHC coordination in cationic hydride iodide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10281","10287","10.1039/c8dt01798k","","","1.54187","CuKα","","0.0742","0.0726","","","0.1905","0.194","","","","","","1.05","","","","has coordinates","229801","2020-10-21","18:00:00",""
"7046998","10.9058","0.0008","22.4121","0.0013","21.6328","0.0014","90","","92.055","0.002","90","","5284.1","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Al I N4 -","- C54 H74 Al I N4 -","- C216 H296 Al4 I4 N16 -","4","1","","Trose, Michael; Burnett, Stuart; Bonyhady, Simon J.; Jones, Cameron; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Normal and abnormal NHC coordination in cationic hydride iodide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10281","10287","10.1039/c8dt01798k","","","0.71075","MoKα","","0.0393","0.0359","","","0.0854","0.088","","","","","","1.021","","","","has coordinates","229801","2020-10-21","18:00:00",""
"7046999","10.6622","0.0002","25.1991","0.0005","24.3924","0.0006","90","","93.201","0.002","90","","6543.5","0.2","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H84.25 Al I2.75 N4 -","- C66 H84.25 Al I2.75 N4 -","- C264 H337 Al4 I11 N16 -","4","1","","Trose, Michael; Burnett, Stuart; Bonyhady, Simon J.; Jones, Cameron; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas","Normal and abnormal NHC coordination in cationic hydride iodide complexes of aluminium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10281","10287","10.1039/c8dt01798k","","","0.71075","MoKα","","0.0734","0.0557","","","0.1658","0.175","","","","","","1.052","","","","has coordinates,has disorder","229801","2020-10-21","18:00:00",""
"7047000","32.8999","0.0004","14.17669","0.00013","24.7543","0.0003","90","","112.082","0.0014","90","","10698.8","0.2","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35.5 H59 Cl11 Cu2 N14 -","- C35 H58 Cl10 Cu2 N14 -","- C280 H464 Cl80 Cu16 N112 -","8","1","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","x-ray","0.71073","MoKα","","0.0565","0.0409","","","0.0996","0.1068","","","","","","1.034","","","","has coordinates,has disorder","229358","2020-10-21","18:00:00",""
"7047001","10.613","0.002","10.551","0.002","20.871","0.004","90","","101.99","0.03","90","","2286.1","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Cl4 N16 Ni2 -","- C36 H58 Cl4 N16 Ni2 -","- C72 H116 Cl8 N32 Ni4 -","2","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.0557","0.0356","","","0.086","0.0948","","","","","","1.015","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047002","10.421","0.002","12.244","0.002","13.04","0.003","111.35","0.03","90.14","0.03","91.3","0.03","1549.2","0.6","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H72 Cl6 Cu4 N18 -","- C52 H72 Cl6 Cu4 N18 -","- C52 H72 Cl6 Cu4 N18 -","1","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.0767","0.0439","","","0.113","0.1269","","","","","","1.022","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047003","21.862","0.004","24.311","0.005","14.152","0.003","90","","117.18","0.03","90","","6691","3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.8 H55.6 Cl8.6 Cu3 N14 -","- C33.8 H55.6 Cl8.6 Cu3 N14 -","- C135.2 H222.4 Cl34.4 Cu12 N56 -","4","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.1632","0.0842","","","0.2351","0.2789","","","","","","1.047","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047004","10.981","0.002","11.378","0.002","13.973","0.003","81.33","0.03","89.49","0.03","73.31","0.03","1652.1","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H55 Cl9 Cu4 N14 -","- C33.5 H55 Cl9 Cu4 N14 -","- C33.5 H55 Cl9 Cu4 N14 -","1","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.1294","0.0915","","","0.2791","0.3056","","","","","","1.011","","","","has coordinates,has disorder","229358","2020-10-21","18:00:00",""
"7047005","10.592","0.002","22.989","0.005","22.638","0.005","90","","90.46","0.03","90","","5512","2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 Cl2 N9 Ni -","- C24 H33 Cl2 N9 Ni -","- C192 H264 Cl16 N72 Ni8 -","8","4","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.0978","0.0597","","","0.1392","0.1597","","","","","","1.071","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047006","18.1368","0.0001","13.78213","0.0001","11.10358","0.00006","90","","102.76","0.0005","90","","2706.95","0.03","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Br2 Cl4 N14 -","- C48 H70 Br2 Cl4 N14 -","- C96 H140 Br4 Cl8 N28 -","2","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1093","0.1107","","","","","","1.059","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047007","12.4307","0.0002","13.47874","0.00019","15.9132","0.0003","90","","106.761","0.0019","90","","2552.99","0.08","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl6 Cu2 N16 Ni2 -","- C36 H58 Cl6 Cu2 N16 Ni2 -","- C72 H116 Cl12 Cu4 N32 Ni4 -","2","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","x-ray","0.71073","MoKα","","0.0644","0.0428","","","0.0844","0.0917","","","","","","1.052","","","","has coordinates,has disorder","229358","2020-10-21","18:00:00",""
"7047008","12.248","0.002","13.649","0.003","15.785","0.003","90","","105.46","0.03","90","","2543.3","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Cl6 Cu4 N16 -","- C36 H58 Cl6 Cu4 N16 -","- C72 H116 Cl12 Cu8 N32 -","2","0.5","","Lorenz, Roxana; Kaifer, Elisabeth; Wadepohl, Hubert; Himmel, Hans-Jörg","Di- and tetranuclear transition metal complexes of a tetrakisguanidino-substituted phenazine dye by stepwise coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11016","11029","10.1039/c8dt02176g","","","0.71073","MoKα","","0.075","0.0408","","","0.0832","0.0956","","","","","","1.022","","","","has coordinates","229358","2020-10-21","18:00:00",""
"7047009","7.6947","0.0006","18.5105","0.0011","23.9218","0.0017","90","","98.907","0.003","90","","3366.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Br Cu Fe2 Ti -","- C41 H36 Br Cu Fe2 Ti -","- C164 H144 Br4 Cu4 Fe8 Ti4 -","4","1","","Pienkos, Jared A.; Webster, Alexander B.; Piechota, Eric J.; Agakidou, A. Danai; McMillen, Colin D.; Pritchett, David Y.; Meyer, Gerald J.; Wagenknecht, Paul S.","Oxidatively stable ferrocenyl-π-bridge-titanocene D-π-A complexes: an electrochemical and spectroscopic investigation of the mixed-valent states.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10953","10964","10.1039/c8dt01853g","","","0.71073","MoKα","","0.0421","0.0311","","","0.067","0.0712","","","","","","1.033","","","","has coordinates","229364","2020-10-21","18:00:00",""
"7047010","13.9631","0.0019","11.5467","0.0013","23.644","0.003","90","","98.371","0.005","90","","3771.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Br Cu Fe2 Ti -","- C44 H48 Br Cu Fe2 Ti -","- C176 H192 Br4 Cu4 Fe8 Ti4 -","4","1","","Pienkos, Jared A.; Webster, Alexander B.; Piechota, Eric J.; Agakidou, A. Danai; McMillen, Colin D.; Pritchett, David Y.; Meyer, Gerald J.; Wagenknecht, Paul S.","Oxidatively stable ferrocenyl-π-bridge-titanocene D-π-A complexes: an electrochemical and spectroscopic investigation of the mixed-valent states.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10953","10964","10.1039/c8dt01853g","","","0.71073","MoKα","","0.0421","0.0342","","","0.0882","0.0929","","","","","","1.046","","","","has coordinates","229364","2020-10-21","18:00:00",""
"7047011","9.6473","0.0002","17.9962","0.0003","10.7774","0.0002","90","","90.861","0.001","90","","1870.9","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H61 N2 O3 Si3 Y -","- C29 H61 N2 O3 Si3 Y -","- C58 H122 N4 O6 Si6 Y2 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71073","MoKα","","0.0185","0.0179","","","0.0495","0.0498","","","","","","0.814","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047012","9.5928","0.0012","17.955","0.002","10.7752","0.0014","90","","90.409","0.007","90","","1855.9","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H61 Lu N2 O3 Si3 -","- C29 H61 Lu N2 O3 Si3 -","- C58 H122 Lu2 N4 O6 Si6 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71073","MoKα","","0.0461","0.046","","","0.115","0.1151","","","","","","1.052","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047013","12.604","0.003","9.977","0.002","13.129","0.003","90","0.03","92.97","0.03","90","0.03","1648.8","0.6","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H53 N2 O2 Sc Si3 -","- C25 H53 N2 O2 Sc Si3 -","- C50 H106 N4 O4 Sc2 Si6 -","2","1","","Pan, Yu; Zhao, Aijing; Li, Yang; Li, Wenqiang; So, Yat-Ming; Yan, Xiaoming; He, Gaohong","Bis(oxazoline)-derived N-heterocyclic carbene ligated rare-earth metal complexes: synthesis, structure, and polymerization performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13815","13823","10.1039/c8dt02130a","","","0.71076","MoKα","","0.0192","0.0184","","","0.0508","0.0513","","","","","","1.037","","","","has coordinates","229506","2020-10-21","18:00:00",""
"7047014","7.3216","0.0005","16.6789","0.0009","10.443","0.0005","90","","90","","90","","1275.26","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H11 Nd O11 S -","- C8 H11 Nd O11 S -","- C32 H44 Nd4 O44 S4 -","4","1","","Franco, Chris H. J.; Chagas, Poliane; Caldeira, Gabriela S.; Oliveira, Luiz C. A.; de Souza, Patterson P.; Leitão, Alexandre A; Amarante, Giovanni W.; Diniz, Renata","Synthesis of glycerol carbonate over a 2D coordination polymer built with Nd<sup>3+</sup> ions and organic ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10976","10988","10.1039/c8dt01803k","","","0.71073","MoKα","","0.0501","0.0349","","","0.088","0.1396","","","","","","1.141","","","","has coordinates","229367","2020-10-21","18:00:00",""
"7047015","7.7983","0.0007","33.609","0.004","5.9283","0.0006","90","","102.61","0.004","90","","1516.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C72 H76 N12 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1017","0.0537","","","0.1198","0.139","","","","","","1.021","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047016","12.1005","0.0011","21.0469","0.0018","15.0905","0.0014","90","","100.064","0.005","90","","3784.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H55 Fe N5 Si4 -","- C30 H55 Fe N5 Si4 -","- C120 H220 Fe4 N20 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.0653","0.0392","","","0.0888","0.1002","","","","","","1.014","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047017","14.4692","0.0011","28.2574","0.0019","17.2321","0.0013","90","","113.491","0.003","90","","6461.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 Fe2 N8 Si4 -","- C48 H72 Fe2 N8 Si4 -","- C192 H288 Fe8 N32 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.149","0.0608","","","0.1319","0.1622","","","","","","0.998","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047018","11.4169","0.0004","27.5089","0.0009","18.1503","0.0006","90","","107.825","0.002","90","","5426.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 Co2 N8 Si4 -","- C48 H72 Co2 N8 Si4 -","- C192 H288 Co8 N32 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.0704","0.0416","","","0.0898","0.1013","","","","","","1.017","","","","has coordinates,has disorder","229169","2020-10-21","18:00:00",""
"7047019","17.3185","0.0011","19.7038","0.0012","19.7936","0.0012","90","","90","","90","","6754.4","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Co N4 Si2 -","- C33 H46 Co N4 Si2 -","- C264 H368 Co8 N32 Si16 -","8","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1304","0.052","","","0.098","0.124","","","","","","0.998","","","","has coordinates,has disorder","229169","2020-10-21","18:00:00",""
"7047020","18.539","0.002","10.7159","0.0014","11.6654","0.0015","90","","96.77","0.004","90","","2301.3","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C108 H116 N12 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1592","0.0611","","","0.1244","0.1576","","","","","","1.005","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047021","23.467","0.008","10.283","0.003","20.491","0.007","90","","114.286","0.011","90","","4507","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 Fe N5 Si4 -","- C39 H65 Fe N5 Si4 -","- C156 H260 Fe4 N20 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.2402","0.0796","","","0.1142","0.1625","","","","","","0.981","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047022","23.374","0.002","10.2831","0.0009","20.3862","0.0015","90","","114.097","0.004","90","","4473","0.7","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 Co N5 Si4 -","- C39 H65 Co N5 Si4 -","- C156 H260 Co4 N20 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1265","0.0544","","","0.099","0.1252","","","","","","0.996","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047023","12.107","0.0004","21.0094","0.0006","15.111","0.0006","90","","100.431","0.002","90","","3780.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H55 Co N5 Si4 -","- C30 H55 Co N5 Si4 -","- C120 H220 Co4 N20 Si16 -","4","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.075","0.0419","","","0.0834","0.0959","","","","","","1.009","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047024","19.7886","0.0013","17.2735","0.0011","19.8837","0.0012","90","","90","","90","","6796.6","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H46 Fe N4 Si2 -","- C33 H46 Fe N4 Si2 -","- C264 H368 Fe8 N32 Si16 -","8","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1038","0.0452","","","0.0882","0.1094","","","","","","1.002","","","","has coordinates","229169","2020-10-21","18:00:00",""
"7047025","33.543","0.002","9.3669","0.0007","22.9162","0.0018","90","","113.068","0.003","90","","6624.4","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Co N6 -","- C36 H36 Co N6 -","- C288 H288 Co8 N48 -","8","1","","Liang, Qiuming; Liu, Nina Jiabao; Song, Datong","Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9889","9896","10.1039/c8dt02621a","","","0.71073","MoKα","","0.1425","0.0675","","","0.1402","0.1663","","","","","","1.025","","","","has coordinates,has disorder","229169","2020-10-21","18:00:00",""
"7047026","12.8284","0.0013","11.3718","0.0011","29.6426","0.0019","90","","96.943","0.004","90","","4292.6","0.7","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","RS-22-1","","","- C44 H36 Cl F3 Li N4 O4 P2 Rh S -","- C44 H36 Cl F3 Li N4 O4 P2 Rh S -","- C176 H144 Cl4 F12 Li4 N16 O16 P8 Rh4 S4 -","4","1","","Steinhoff, Patrick; Steinbock, Ralf; Friedrich, Anna; Schieweck, Benjamin G.; Cremer, Christopher; Truong, Khai-Nghi; Tauchert, Michael E.","Synthesis and properties of heterobimetallic rhodium complexes featuring Li<sup>I</sup>, Cu<sup>I</sup> or Zn<sup>II</sup> as a Lewis acidic metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10439","10442","10.1039/c8dt01267a","","","0.71073","MoKα","","0.079","0.0488","","","0.1029","0.1141","","","","","","1.037","","","","has coordinates","229820","2020-10-21","18:00:00",""
"7047027","13.8605","0.0015","14.5832","0.0017","17.447","0.0018","69.051","0.003","71.388","0.002","82.166","0.003","3120.2","0.6","150","2","150","2","","","","","","","","10","P -1","-P 1","2","AF-21","","","- C54 H44 Cl F12 N6 O10 P2 Rh S4 Zn -","- C54 H44 Cl F12 N6 O10 P2 Rh S4 Zn -","- C108 H88 Cl2 F24 N12 O20 P4 Rh2 S8 Zn2 -","2","1","","Steinhoff, Patrick; Steinbock, Ralf; Friedrich, Anna; Schieweck, Benjamin G.; Cremer, Christopher; Truong, Khai-Nghi; Tauchert, Michael E.","Synthesis and properties of heterobimetallic rhodium complexes featuring Li<sup>I</sup>, Cu<sup>I</sup> or Zn<sup>II</sup> as a Lewis acidic metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10439","10442","10.1039/c8dt01267a","","","0.71073","MoKα","","0.0947","0.074","","","0.1991","0.2092","","","","","","1.07","","","","has coordinates,has disorder","229820","2020-10-21","18:00:00",""
"7047028","20.2194","0.0017","7.8753","0.0007","23.0736","0.0019","90","","90","","90","","3674.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 Cl5 N2 O P2 Rh -","- C37 H32 Cl5 N2 O P2 Rh -","- C148 H128 Cl20 N8 O4 P8 Rh4 -","4","0.5","","Steinhoff, Patrick; Steinbock, Ralf; Friedrich, Anna; Schieweck, Benjamin G.; Cremer, Christopher; Truong, Khai-Nghi; Tauchert, Michael E.","Synthesis and properties of heterobimetallic rhodium complexes featuring Li<sup>I</sup>, Cu<sup>I</sup> or Zn<sup>II</sup> as a Lewis acidic metalloligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10439","10442","10.1039/c8dt01267a","","","0.71073","MoKα","","0.0506","0.0312","","","0.0719","0.0785","","","","","","1.016","","","","has coordinates,has disorder","229820","2020-10-21","18:00:00",""
"7047029","11.4453","0.0002","11.8205","0.0002","12.131","0.0002","83.697","0.001","76.103","0.001","80.922","0.001","1568.77","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Cu4 Gd2 N20 O30 -","- C38 H39 Cu4 Gd2 N20 O30 -","- C38 H39 Cu4 Gd2 N20 O30 -","1","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luis; Tang, Jinkui; Stamatatos, Theocharis C.","Heterometallic Cu/Ln cluster chemistry: ferromagnetically-coupled {Cu<sub>4</sub>Ln<sub>2</sub>} complexes exhibiting single-molecule magnetism and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11934","11941","10.1039/c8dt01780h","","","0.68239","Synchrotron","","0.0296","0.029","","","0.0771","0.0777","","","","","","1.036","","","","has coordinates,has disorder","229970","2020-10-21","18:00:00",""
"7047030","11.4754","0.001","11.8979","0.0011","12.1378","0.001","83.506","0.004","76.451","0.003","81.305","0.004","1587.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cu4 N18 O30 Tb2 -","- C34 H36 Cu4 N18 O30 Tb2 -","- C34 H36 Cu4 N18 O30 Tb2 -","1","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luis; Tang, Jinkui; Stamatatos, Theocharis C.","Heterometallic Cu/Ln cluster chemistry: ferromagnetically-coupled {Cu<sub>4</sub>Ln<sub>2</sub>} complexes exhibiting single-molecule magnetism and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11934","11941","10.1039/c8dt01780h","","","0.71073","MoKα","","0.0719","0.0646","","","0.1349","0.1378","","","","","","1.111","","","","has coordinates","229970","2020-10-21","18:00:00",""
"7047031","11.428","0.003","11.885","0.004","12.111","0.004","83.608","0.011","76.354","0.013","81.327","0.011","1575.3","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cu4 Dy2 N18 O30 -","- C34 H36 Cu4 Dy2 N18 O30 -","- C34 H36 Cu4 Dy2 N18 O30 -","1","0.5","","Alexandropoulos, Dimitris I.; Cunha-Silva, Luis; Tang, Jinkui; Stamatatos, Theocharis C.","Heterometallic Cu/Ln cluster chemistry: ferromagnetically-coupled {Cu<sub>4</sub>Ln<sub>2</sub>} complexes exhibiting single-molecule magnetism and magnetocaloric properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11934","11941","10.1039/c8dt01780h","","","0.71073","MoKα","","0.0359","0.0285","","","0.0703","0.0761","","","","","","0.727","","","","has coordinates","229970","2020-10-21","18:00:00",""
"7047032","10.4475","0.0016","16.453","0.003","17.1","0.003","90","","93.334","0.002","90","","2934.4","0.9","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 Cl N6 Zr -","- C24 H51 Cl N6 Zr -","- C96 H204 Cl4 N24 Zr4 -","4","1","","Cook, Tabitha M.; Steren, Carlos A.; Xue, Zi-Ling","Syntheses and characterization of hepta-coordinated Group 4 amidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11030","11040","10.1039/c8dt02523a","","","0.71073","MoKα","","0.0307","0.0269","","","0.0636","0.066","","","","","","1.031","","","","has coordinates","229372","2020-10-21","18:00:00",""
"7047033","10.4324","0.0015","16.447","0.002","17.091","0.002","90","","93.053","0.002","90","","2928.3","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 Cl Hf N6 -","- C24 H51 Cl Hf N6 -","- C96 H204 Cl4 Hf4 N24 -","4","1","","Cook, Tabitha M.; Steren, Carlos A.; Xue, Zi-Ling","Syntheses and characterization of hepta-coordinated Group 4 amidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11030","11040","10.1039/c8dt02523a","","","0.71073","MoKα","","0.0525","0.0445","","","0.118","0.1216","","","","","","1.184","","","","has coordinates,has disorder","229372","2020-10-21","18:00:00",""
"7047034","21.699","0.007","15.619","0.005","18.597","0.006","90","","103.401","0.004","90","","6131","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 N6 Zr -","- C26 H56 N6 Zr -","- C208 H448 N48 Zr8 -","8","2","","Cook, Tabitha M.; Steren, Carlos A.; Xue, Zi-Ling","Syntheses and characterization of hepta-coordinated Group 4 amidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11030","11040","10.1039/c8dt02523a","","","0.71073","MoKα","","0.0332","0.0273","","","0.0644","0.0679","","","","","","1.045","","","","has coordinates","229372","2020-10-21","18:00:00",""
"7047035","21.658","0.007","15.566","0.005","18.594","0.006","90","","103.681","0.004","90","","6091","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H56 Hf N6 -","- C26 H56 Hf N6 -","- C208 H448 Hf8 N48 -","8","2","","Cook, Tabitha M.; Steren, Carlos A.; Xue, Zi-Ling","Syntheses and characterization of hepta-coordinated Group 4 amidinate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11030","11040","10.1039/c8dt02523a","","","0.71073","MoKα","","0.0223","0.0199","","","0.0465","0.0475","","","","","","1.04","","","","has coordinates","229372","2020-10-21","18:00:00",""
"7047036","7.1455","0.0006","9.1908","0.0008","10.0482","0.0009","90","","107.918","0.004","90","","627.89","0.1","100","2","100.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H19 Al Cl2 N2 -","- C8 H19 Al Cl2 N2 -","- C16 H38 Al2 Cl4 N4 -","2","1","","Blakeney, Kyle J.; Martin, Philip D.; Winter, Charles H.","Aluminum dihydride complexes and their unexpected application in atomic layer deposition of titanium carbonitride films.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10897","10905","10.1039/c8dt02508h","","","0.71073","MoKα","","0.0337","0.0277","","","0.061","0.0633","","","","","","1.082","","","","has coordinates","229359","2020-10-21","18:00:00",""
"7047037","7.8312","0.0003","10.3013","0.0005","10.4618","0.0004","96.577","0.002","101.739","0.002","97.026","0.002","811.63","0.06","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C17 H11 B Cl2 F2 N2 O2 -","- C17 H11 B Cl2 F2 N2 O2 -","- C34 H22 B2 Cl4 F4 N4 O4 -","2","1","","Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen","Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11203","11218","10.1039/c8dt02364f","","x-ray","0.71073","MoKα","","0.0439","0.0361","","","0.0831","0.0902","","","","","","1.046","","","","has coordinates","229375","2020-10-21","18:00:00",""
"7047038","10.9208","0.0005","11.1413","0.0005","14.0873","0.0006","69.876","0.003","75.945","0.003","75.941","0.003","1537.12","0.12","115","1","115","1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B Cl2 F2 N2 O2 -","- C16 H9 B Cl2 F2 N2 O2 -","- C64 H36 B4 Cl8 F8 N8 O8 -","4","2","","Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen","Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11203","11218","10.1039/c8dt02364f","","x-ray","0.71073","MoKα","","0.0653","0.0368","","","0.082","0.095","","","","","","1.017","","","","has coordinates","229375","2020-10-21","18:00:00",""
"7047039","25.643","0.004","9.4006","0.0016","30.308","0.005","90","","90","","90","","7306","2","115","1","115","1","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C127 H106 Au4 B4 Cl26 F8 N12 O4 P4 -","- C127 H106 Au4 B4 Cl26 F8 N12 O4 P4 -","- C254 H212 Au8 B8 Cl52 F16 N24 O8 P8 -","2","0.25","","Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen","Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11203","11218","10.1039/c8dt02364f","","x-ray","0.71073","MoKα","","0.0907","0.0732","","","0.1845","0.1979","","","","","","1.168","","","","has coordinates,has disorder","229375","2020-10-21","18:00:00",""
"7047040","13.9927","0.0004","29.9994","0.0008","15.2788","0.0005","90","","95.5","0.002","90","","6384.1","0.3","115","1","115","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Au B Cl4 F2 N3 P -","- C29.9995 H25.999 Au B Cl3.999 F2 N3 P -","- C239.996 H207.992 Au8 B8 Cl31.992 F16 N24 P8 -","8","2","","Pliquett, Jacques; Amor, Souheila; Ponce-Vargas, Miguel; Laly, Myriam; Racoeur, Cindy; Rousselin, Yoann; Denat, Franck; Bettaïeb, Ali; Fleurat-Lessard, Paul; Paul, Catherine; Goze, Christine; Bodio, Ewen","Design of a multifunctionalizable BODIPY platform for the facile elaboration of a large series of gold(i)-based optical theranostics.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11203","11218","10.1039/c8dt02364f","","x-ray","0.71073","MoKα","","0.0396","0.0252","","","0.0489","0.0542","","","","","","1.031","","","","has coordinates,has disorder","229375","2020-10-21","18:00:00",""
"7047041","19.171","0.004","18.08","0.004","40.633","0.008","90","","90","","90","","14084","5","200","","200","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70.23 H98.26 Co F6 N6 Sb -","- C70.224 H98.256 Co F6 N6 Sb -","- C561.792 H786.048 Co8 F48 N48 Sb8 -","8","1","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.1053","0.0553","","","0.139","0.1597","","","","","","1.026","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047042","23.936","0.005","18.585","0.004","12.56","0.003","90","","112.15","0.03","90","","5175","2","200","","200","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N4 -","- C56 H80 N4 -","- C224 H320 N16 -","4","0.5","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.1201","0.0569","","","0.12","0.1468","","","","","","1.019","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047043","28.417","0.006","9.7021","0.0019","19.879","0.004","90","","94.9","0.03","90","","5460.7","1.9","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H86 Co N6 -","- C56 H86 Co N6 -","- C224 H344 Co4 N24 -","4","0.5","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.0684","0.0479","","","0.114","0.1273","","","","","","1.135","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047044","13.287","0.002","13.328","0.002","17.363","0.007","93.48","0.03","98.319","0.017","93.55","0.02","3029","1.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C114 H174 F12 N12 O2 Sb2 -","- C114 H174 F12 N12 O2 Sb2 -","- C114 H174 F12 N12 O2 Sb2 -","1","0.5","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.0997","0.0542","","","0.1065","0.1295","","","","","","1.077","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047045","15.004","0.003","15.758","0.003","25.923","0.005","101.99","0.03","95.68","0.03","107.23","0.03","5641","2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H84 N6 O3 -","- C58 H84 N6 O3 -","- C232 H336 N24 O12 -","4","2","","Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.","Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11303","11307","10.1039/c8dt02462f","","x-ray","0.71073","MoKα","","0.0811","0.0496","","","0.1165","0.1364","","","","","","1.055","","","","has coordinates,has disorder","229427","2020-10-21","18:00:00",""
"7047046","14.8917","0.0012","15.0489","0.0014","20.4115","0.0017","96.871","0.002","90.947","0.001","94.421","0.001","4526.4","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H53 Cu4 Mo12 N8 O69 P -","- C48 H50 Cu4 Mo12 N8 O69 P -","- C96 H100 Cu8 Mo24 N16 O138 P2 -","2","1","","Tang, Hong An; Zhang, Miao Miao; Gong, Yun; Lin, Jian Hua","Coordination polymer-based supercapacitors with matched energy levels: enhanced capacity under visible light illumination in the presence of methanol.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11146","11157","10.1039/c8dt02166j","","","0.71073","MoKα","","0.1239","0.0664","","","0.1655","0.1877","","","","","","1.006","","","","has coordinates,has disorder","229357","2020-10-21","18:00:00",""
"7047047","7.808","0.0006","11.9859","0.0009","13.1421","0.0011","94.256","0.001","96.666","0.001","101.133","0.002","1192.71","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 Cu Mo8 N14 O31 -","- C18 H26 Cu Mo8 N14 O31 -","- C18 H26 Cu Mo8 N14 O31 -","1","0.5","","Tang, Hong An; Zhang, Miao Miao; Gong, Yun; Lin, Jian Hua","Coordination polymer-based supercapacitors with matched energy levels: enhanced capacity under visible light illumination in the presence of methanol.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11146","11157","10.1039/c8dt02166j","","","0.71073","MoKα","","0.0443","0.0363","","","0.0967","0.1036","","","","","","1.041","","","","has coordinates","229357","2020-10-21","18:00:00",""
"7047048","11.1013","0.0004","37.9808","0.0018","10.1334","0.0003","90","","94.099","0.003","90","","4261.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H70 Mg N4 O4 -","- C46 H70 Mg N4 O4 -","- C184 H280 Mg4 N16 O16 -","4","1","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Alkali metal complexes as efficient catalysts for hydroboration and cyanosilylation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12613","12622","10.1039/c8dt02032a","","","1.54184","CuKα","","0.0976","0.0738","","","0.1867","0.2085","","","","","","1.047","","","","has coordinates","229925","2020-10-21","18:00:00",""
"7047049","11.4708","0.0004","10.5272","0.0003","14.4429","0.0004","90","","105.612","0.003","90","","1679.71","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Li2 N4 O2 -","- C38 H54 Li2 N4 O2 -","- C76 H108 Li4 N8 O4 -","2","0.5","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Alkali metal complexes as efficient catalysts for hydroboration and cyanosilylation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12613","12622","10.1039/c8dt02032a","","","1.54184","CuKα","","0.0511","0.0475","","","0.1388","0.1413","","","","","","1.123","","","","has coordinates","229925","2020-10-21","18:00:00",""
"7047050","7.3434","0.0012","11.2646","0.0017","11.9562","0.0019","86.178","0.013","72.192","0.015","76.218","0.014","914.5","0.3","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 K N2 O -","- C19 H27 K N2 O -","- C38 H54 K2 N4 O2 -","2","1","","Harinath, Adimulam; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Alkali metal complexes as efficient catalysts for hydroboration and cyanosilylation of carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12613","12622","10.1039/c8dt02032a","","","1.54184","CuKα","","0.0957","0.0732","","","0.1893","0.2186","","","","","","1.084","","","","has coordinates","229925","2020-10-21","18:00:00",""
"7047051","14.9383","0.0005","15.9699","0.0004","17.999","0.0007","84.625","0.002","74.799","0.003","88.086","0.002","4125.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C200 H170 Eu2 O25 Rb2 -","- C200 H170 Eu2 O25 Rb2 -","- C200 H170 Eu2 O25 Rb2 -","1","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","x-ray","1.54178","CuKα","","0.0448","0.0386","","","0.089","0.0931","","","","","","1.06","","","","has coordinates","229934","2020-10-21","18:00:00",""
"7047052","8.41028","0.00014","31.2556","0.0004","8.01519","0.00014","90","","102.777","0.002","90","","2054.77","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cs O3 -","- C25 H21 Cs O3 -","- C100 H84 Cs4 O12 -","4","1","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","x-ray","1.54178","CuKα","","0.049","0.0455","","","0.1174","0.1223","","","","","","1.037","","","","has coordinates","229934","2020-10-21","18:00:00",""
"7047053","27.4726","0.0006","8.2906","0.0001","25.4388","0.0006","90","","108.315","0.002","90","","5500.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Cs Nd O10 -","- C64 H56 Cs Nd O10 -","- C256 H224 Cs4 Nd4 O40 -","4","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","x-ray","1.54178","CuKα","","0.044","0.0386","","","0.1095","0.1152","","","","","","1.09","","","","has coordinates","229934","2020-10-21","18:00:00",""
"7047054","10.5065","0.0012","22.8219","0.0003","26.2567","0.0003","90","","90.116","0.002","90","","6295.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H68 O10.5 Yb -","- C76 H68 O10.5 Yb -","- C304 H272 O42 Yb4 -","4","1","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","x-ray","1.54178","CuKα","","0.0695","0.0486","","","0.1117","0.1249","","","","","","1.069","","","","has coordinates,has disorder","229934","2020-10-21","18:00:00",""
"7047055","14.9907","0.0003","15.9632","0.0003","17.993","0.0004","84.954","0.002","74.674","0.002","88.124","0.002","4136.3","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C200 H170 Nd2 O25 Rb2 -","- C200 H170 Nd2 O25 Rb2 -","- C200 H170 Nd2 O25 Rb2 -","1","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","","1.54178","CuKα","","0.0416","0.0335","","","0.0787","0.0838","","","","","","1.001","","","","has coordinates","229934","2020-10-21","18:00:00",""
"7047056","14.0539","0.0002","14.7835","0.0003","19.7708","0.0004","99.829","0.002","107.431","0.002","90.137","0.002","3855.27","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C184 H144 Nd2 O28 Rb2 -","- C184 H144 Nd2 O28 Rb2 -","- C184 H144 Nd2 O28 Rb2 -","1","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Skelton, Brian W.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Energy transfer between Eu<sup>3+</sup> and Nd<sup>3+</sup> in near-infrared emitting β-triketonate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12345","12352","10.1039/c8dt02499e","","","0.71073","MoKα","","0.0748","0.0496","","","0.0959","0.1069","","","","","","1.002","","","","has coordinates,has disorder","229934","2020-10-21","18:00:00",""
"7047057","10.9787","0.0011","21.384","0.003","28.322","0.003","90","","99.857","0.005","90","","6551","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.71 H74.56 Co F12 N14.86 P2 -","- C53.708 H74.562 Co F12 N14.854 P2 -","- C214.832 H298.248 Co4 F48 N59.416 P8 -","4","1","","Chen, Kitty Y.; Schauer, Phil A.; Patrick, Brian O.; Berlinguette, Curtis P.","Correlating cobalt redox couples to photovoltage in the dye-sensitized solar cell.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11942","11952","10.1039/c8dt01921e","","x-ray","0.71073","MoKα","","0.0764","0.0588","","","0.1145","0.1201","","","","","","1.199","","","","has coordinates,has disorder","229972","2020-10-21","18:00:00",""
"7047058","16.296","0.003","23.48","0.005","36.268","0.008","90","","99.46","0.008","90","","13689","5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H106.5 Cl Cu4 Fe2 N4.5 O17 -","- C53 H106.5 Cl Cu4 Fe2 N4.5 O17 -","- C424 H852 Cl8 Cu32 Fe16 N36 O136 -","8","1","","Nesterova, Oksana V.; Nesterov, Dmytro S.; Vranovičová, Beáta; Boča, Roman; Pombeiro, Armando J. L.","Heterometallic Cu<sup>II</sup>Fe<sup>III</sup> and Cu<sup>II</sup>Mn<sup>III</sup> alkoxo-bridged complexes revealing a rare hexanuclear M<sub>6</sub>(μ-X)<sub>7</sub>(μ<sub>3</sub>-X)<sub>2</sub> molecular core.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10941","10952","10.1039/c8dt02290a","","","0.71073","MoKα","","0.0819","0.0435","","","0.0852","0.0975","","","","","","1.017","","","","has coordinates,has disorder","229368","2020-10-21","18:00:00",""
"7047059","22.8621","0.0015","16.648","0.0015","19.7908","0.0016","90","","114.979","0.006","90","","6828","1","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C52 H105 Cl Cu4 Mn2 N4 O17 -","- C52 H105 Cl Cu4 Mn2 N4 O17 -","- C208 H420 Cl4 Cu16 Mn8 N16 O68 -","4","1","","Nesterova, Oksana V.; Nesterov, Dmytro S.; Vranovičová, Beáta; Boča, Roman; Pombeiro, Armando J. L.","Heterometallic Cu<sup>II</sup>Fe<sup>III</sup> and Cu<sup>II</sup>Mn<sup>III</sup> alkoxo-bridged complexes revealing a rare hexanuclear M<sub>6</sub>(μ-X)<sub>7</sub>(μ<sub>3</sub>-X)<sub>2</sub> molecular core.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","10941","10952","10.1039/c8dt02290a","","","0.71073","MoKα","","0.133","0.0634","","","0.1114","0.1339","","","","","","0.988","","","","has coordinates,has disorder","229368","2020-10-21","18:00:00",""
"7047060","11.4479","0.0007","13.9987","0.0009","13.069","0.0008","90","","108.991","0.002","90","","1980.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Gd2 N4 O16 -","- C32 H46 Gd2 N4 O16 -","- C64 H92 Gd4 N8 O32 -","2","0.5","","Ghosh, Sagar; Mandal, Shuvankar; Singh, Mukesh Kumar; Liu, Cai-Ming; Rajaraman, Gopalan; Mohanta, Sasankasekhar","Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(η<sup>1</sup>:η<sup>2</sup>:μ<sub>2</sub>-carboxylate)Gd/Dy systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11455","11469","10.1039/c8dt02008f","","","0.71073","MoKα","","0.0527","0.0324","","","0.077","0.0883","","","","","","0.937","","","","has coordinates","229413","2020-10-21","18:00:00",""
"7047061","11.4531","0.0005","13.9589","0.0006","13.0023","0.0005","90","","108.982","0.002","90","","1965.67","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Dy2 N4 O16 -","- C32 H46 Dy2 N4 O16 -","- C64 H92 Dy4 N8 O32 -","2","0.5","","Ghosh, Sagar; Mandal, Shuvankar; Singh, Mukesh Kumar; Liu, Cai-Ming; Rajaraman, Gopalan; Mohanta, Sasankasekhar","Experimental and theoretical exploration of magnetic exchange interactions and single-molecule magnetic behaviour of bis(η<sup>1</sup>:η<sup>2</sup>:μ<sub>2</sub>-carboxylate)Gd/Dy systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11455","11469","10.1039/c8dt02008f","","","0.71073","MoKα","","0.0457","0.0315","","","0.078","0.0863","","","","","","0.952","","","","has coordinates","229413","2020-10-21","18:00:00",""
"7047062","10.0762","0.001","18.3919","0.0019","19.844","0.002","101.149","0.001","92.522","0.001","92.592","0.001","3599.2","0.6","100","2","100","2","","","101.3","","","","synthesis","8","P -1","-P 1","2","work","","","- C72 H72 B F24 N2 O P Pd -","- C72 H72 B F24 N2 O P Pd -","- C144 H144 B2 F48 N4 O2 P2 Pd2 -","2","1","","Joseph, M. Cassiem; Swarts, Andrew J.; Mapolie, Selwyn F.","Phenylacetylene polymerisation mediated by cationic cyclometallated palladium(ii) complexes bearing benzylidene 2,6-diisopropylphenylamine and its derivatives as ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12209","12217","10.1039/c8dt02728e","","x-ray","0.71073","MoKα","","0.0446","0.0383","","","0.0902","0.0942","","","","","","1.039","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7047063","13.9241","0.0013","18.1629","0.0017","25.815","0.002","90","","90","","90","","6528.7","1","100","2","100","2","","","101.3","","","","Synthesis","9","P 21 21 21","P 2ac 2ab","19","work","","","- C61 H53 B Cl2 F24 N5 O P Pd -","- C61 H53 B Cl2 F24 N5 O P Pd -","- C244 H212 B4 Cl8 F96 N20 O4 P4 Pd4 -","4","1","","Joseph, M. Cassiem; Swarts, Andrew J.; Mapolie, Selwyn F.","Phenylacetylene polymerisation mediated by cationic cyclometallated palladium(ii) complexes bearing benzylidene 2,6-diisopropylphenylamine and its derivatives as ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12209","12217","10.1039/c8dt02728e","","x-ray","0.71073","MoKα","","0.0481","0.0444","","","0.1054","0.1084","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7047064","14.5731","0.0003","16.5975","0.0004","17.2681","0.0003","90","","104.767","0.002","90","","4038.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 B N4 Rh -","- C23 H26 B N4 Rh -","- C184 H208 B8 N32 Rh8 -","8","2","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","x-ray","0.71075","MoKα","","0.0771","0.0571","","","0.1407","0.1559","","","","","","1.043","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047065","22.5002","0.0003","10.5702","0.0002","15.9172","0.0002","90","","93.748","0.001","90","","3777.52","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 B N4 Rh -","- C22 H22 B N4 Rh -","- C176 H176 B8 N32 Rh8 -","8","1","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","","0.71073","MoKα","","0.0223","0.0207","","","0.0531","0.0544","","","","","","1.032","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047066","8.3408","0.0004","15.0529","0.0006","15.1212","0.0006","90","","94.024","0.002","90","","1893.84","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 B Li N6 -","- C19 H20 B Li N6 -","- C76 H80 B4 Li4 N24 -","4","1","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","","0.71073","MoKα","","0.0455","0.0375","","","0.093","0.0984","","","","","","1.045","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047067","26.968","0.0016","26.968","0.0016","14.961","0.002","90","","90","","120","","9423","1.5","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C23 H26 B Ir N4 -","- C23 H26 B Ir N4 -","- C414 H468 B18 Ir18 N72 -","18","","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","","0.71073","MoKα","","0.1018","0.0661","","","0.1165","0.1283","","","","","","1.129","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047068","14.9965","0.0003","16.0602","0.0003","16.3753","0.0005","111.475","0.001","107.628","0.001","106.489","0.001","3132.32","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 B N4 Rh -","- C23 H26 B N4 Rh -","- C138 H156 B6 N24 Rh6 -","6","3","","Da Costa, Rosenildo Correa; Rawe, Benjamin W.; Tsoureas, Nikolaos; Haddow, Mairi F.; Sparkes, Hazel Anne; Tizzard, Graham J.; Coles, Simon; Owen, Gareth Richard","Preparation and Reactivity of Rhodium and Iridium Complexes Containing a Methylborohydride Based Unit Supported by Two 7-Azaindolyl Heterocycles","Dalton Transactions","2018","","","","","10.1039/C8DT02311E","","","0.71073","MoKα","","0.0362","0.0286","","","0.0701","0.0743","","","","","","1.064","","","","has coordinates","209151","2020-10-21","18:00:00",""
"7047069","9.9134","0.0006","11.5595","0.0007","13.3769","0.0007","111.662","0.005","96.458","0.005","100.561","0.005","1373.03","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Cl3 Cu O4 -","- C32 H23 Cl3 Cu O4 -","- C64 H46 Cl6 Cu2 O8 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","","0.71073","MoKα","","0.0887","0.0732","","","0.2161","0.2332","","","","","","1.086","","","","has coordinates","229946","2020-10-21","18:00:00",""
"7047070","9.7072","0.0005","12.5827","0.0007","13.7631","0.0008","63.589","0.006","70.337","0.005","76.509","0.005","1410.82","0.16","298.8","0.4","298.8","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 Cu N O4 -","- C36 H26 Cu N O4 -","- C72 H52 Cu2 N2 O8 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.0915","0.0657","","","0.1235","0.1366","","","","","","1.063","","","","has coordinates,has disorder","229946","2020-10-21","18:00:00",""
"7047071","10.0967","0.0008","11.7663","0.0006","12.5885","0.0009","88.775","0.005","88.996","0.007","87.429","0.006","1493.47","0.18","298.3","0.6","298.3","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Cu N O5 -","- C35 H31 Cu N O5 -","- C70 H62 Cu2 N2 O10 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.1289","0.0864","","","0.2066","0.2435","","","","","","1.08","","","","has coordinates","229946","2020-10-21","18:00:00",""
"7047072","11.7464","0.0012","5.2568","0.0003","19.2835","0.0013","90","","98.15","0.008","90","","1178.7","0.16","296.6","0.3","296.6","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C62 H48 O8 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.065","0.0416","","","0.0868","0.0995","","","","","","1.045","","","","has coordinates","229946","2020-10-21","18:00:00",""
"7047073","9.5306","0.0002","10.927","0.0002","15.9767","0.0004","70.823","0.002","89.045","0.002","64.357","0.002","1401.25","0.06","296.8","0.9","296.8","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 Cu N O4 -","- C36 H27 Cu N O4 -","- C72 H54 Cu2 N2 O8 -","2","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.0711","0.0557","","","0.1533","0.1696","","","","","","1.051","","","","has coordinates","229946","2020-10-21","18:00:00",""
"7047074","24.2987","0.0016","8.5438","0.0005","30.614","0.003","90","","90","","90","","6355.6","0.8","298","1","298","1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C38.5 H29 Cu N O4.5 -","- C38.5 H29 Cu N O4.5 -","- C308 H232 Cu8 N8 O36 -","8","1","","Truccolo, Giada; Tessari, Zeno; Tessarolo, Jacopo; Quici, Silvio; Armelao, Lidia; Rancan, Marzio","A Cu(ii) metallocycle for the reversible self-assembly of coordination-driven polyrotaxane-like architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12079","12084","10.1039/c8dt02693a","","x-ray","0.71073","MoKα","","0.1354","0.1001","","","0.2015","0.2211","","","","","","1.128","","","","has coordinates,has disorder","229946","2020-10-21","18:00:00",""
"7047075","11.2785","0.0008","12.5927","0.0007","12.8176","0.0006","78.651","0.004","76.368","0.005","75.469","0.005","1694.14","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H0 Co2 N22 -","- C26 H30 Co2 N22 -","- C52 H60 Co4 N44 -","2","1","","Ma, Xiaohui; Liu, Yaru; Song, Weiming; Wang, Zheng; Liu, Xiangyu; Xie, Gang; Chen, Sanping; Gao, Shengli","A difunctional azido-cobalt(ii) coordination polymer exhibiting slow magnetic relaxation behaviour and high-energy characteristics with good thermostability and insensitivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12092","12104","10.1039/c8dt02335b","","","1.54184","CuKα","","0.0636","0.0443","","","0.1176","0.142","","","","","","1.066","","","","has coordinates","229944","2020-10-21","18:00:00",""
"7047076","8.3161","0.0009","8.5014","0.0007","13.3774","0.0012","95.08","0.003","105.064","0.004","107.257","0.003","857.96","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H16 Co F N2 O6 P2 -","- C14 H16 Co F N2 O6 P2 -","- C28 H32 Co2 F2 N4 O12 P4 -","2","1","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0688","0.0395","","","0.0628","0.067","","","","","","1.067","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047077","14.5374","0.0012","10.4704","0.0008","9.1811","0.0007","90","","99.314","0.003","90","","1379.05","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu F N O7 P2 -","- C9 H14 Cu F N O7 P2 -","- C36 H56 Cu4 F4 N4 O28 P8 -","4","1","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0596","0.0377","","","0.0748","0.0794","","","","","","1.06","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047078","10.5218","0.0007","9.8194","0.0006","28.8151","0.0019","90","","91.524","0.003","90","","2976.1","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 F2 Fe3 N2 O18 P4 -","- C18 H31 F2 Fe3 N2 O18 P4 -","- C72 H124 F8 Fe12 N8 O72 P16 -","4","0.5","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0795","0.0486","","","0.0901","0.0979","","","","","","1.036","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047079","13.1948","0.0013","9.8505","0.001","13.6882","0.0018","90","","112.336","0.003","90","","1645.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C14 H16 F N2 Ni O6 P2 -","- C14 H16 F N2 Ni O6 P2 -","- C56 H64 F4 N8 Ni4 O24 P8 -","4","0.5","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0728","0.0454","","","0.083","0.0886","","","","","","1.032","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047080","5.9865","0.0004","23.4129","0.0012","21.7231","0.0013","90","","91.934","0.003","90","","3043","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cu2 F N4 O11 P2 -","- C24 H32 Cu2 F N4 O11 P2 -","- C96 H128 Cu8 F4 N16 O44 P8 -","4","1","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0957","0.0633","","","0.1166","0.125","","","","","","1.051","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047081","12.7521","0.0013","12.516","0.0011","9.5143","0.001","90","","92.796","0.004","90","","1516.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Co3 F2 N2 O18 P4 -","- C18 H34 Co3 F2 N2 O18 P4 -","- C36 H68 Co6 F4 N4 O36 P8 -","2","0.5","","Xu, Hailong; Zhou, Hong; Feng, Lu; Wang, Qiaoyun; Chen, Rui; Huang, Wentao; Wu, Xixi","Synthesis, crystal structures, and magnetic properties of six transition metal phosphonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11226","11238","10.1039/c8dt02070a","","","0.71073","MoKα","","0.0892","0.0493","","","0.0781","0.0854","","","","","","1.008","","","","has coordinates","229366","2020-10-21","18:00:00",""
"7047082","10.2153","0.0005","12.7603","0.0007","15.3713","0.0009","90","","90","","90","","2003.65","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B8 F3 O3 S -","- C10 H23 B8 F3 O3 S -","- C40 H92 B32 F12 O12 S4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; RůŽička, Aleš; RůŽičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Špalt, Zbyněk; Fanfrlík, Jindřich; Štíbr, Bohumil","Methyl camouflage in the ten-vertex closo-dicarbaborane(10) series. Isolation of closo-1,6-R<sub>2</sub>C<sub>2</sub>B<sub>8</sub>Me<sub>8</sub> (R = H and Me) and their monosubstituted analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11070","11076","10.1039/c8dt02586j","","","0.71073","MoKα","","0.0434","0.0394","","","0.105","0.1087","","","","","","1.046","","","","has coordinates","229374","2020-10-21","18:00:00",""
"7047083","7.7088","0.0004","13.5358","0.0007","16.1895","0.0009","90","","102.909","0.002","90","","1646.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B8 I -","- C9 H23 B8 I -","- C36 H92 B32 I4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; RůŽička, Aleš; RůŽičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Špalt, Zbyněk; Fanfrlík, Jindřich; Štíbr, Bohumil","Methyl camouflage in the ten-vertex closo-dicarbaborane(10) series. Isolation of closo-1,6-R<sub>2</sub>C<sub>2</sub>B<sub>8</sub>Me<sub>8</sub> (R = H and Me) and their monosubstituted analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11070","11076","10.1039/c8dt02586j","","","0.71073","MoKα","","0.0312","0.0257","","","0.0811","0.0852","","","","","","1.182","","","","has coordinates","229374","2020-10-21","18:00:00",""
"7047084","10.5191","0.0014","11.2198","0.0014","13.7378","0.0016","92.717","0.01","102.283","0.011","92.021","0.01","1580.8","0.3","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N5 O11 Tb -","- C34 H22 N5 O11 Tb -","- C68 H44 N10 O22 Tb2 -","2","1","","Yang, Yang; Song, Xuerui; Xu, Cong; Wang, Yingzhe; Zhang, Guolin; Liu, Weisheng","A multifunctional and recyclable terbium(iii) coordination polymer: displaying highly selective and sensitive detection of Fe<sup>3+</sup> and Cr<sup>VI</sup> anions, and picric acid in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11077","11083","10.1039/c8dt02430h","","","0.71073","MoKα","","0.0592","0.0452","","","0.0801","0.0869","","","","","","0.993","","","","has coordinates,has disorder","229365","2020-10-21","18:00:00",""
"7047085","8.911","0.004","9.461","0.004","14.845","0.006","90","","100.447","0.014","90","","1230.8","0.9","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C24 H9 F20 P -","- C24 H9 F20 P -","- C48 H18 F40 P2 -","2","0.5","","LaFortune, James H. W.; Szkop, Kevin M.; Farinha, Farah E.; Johnstone, Timothy C.; Postle, Shawn; Stephan, Douglas W.","Probing steric influences on electrophilic phosphonium cations: a comparison of [(3,5-(CF<sub>3</sub>)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>)<sub>3</sub>PF]<sup>+</sup> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11411","11419","10.1039/c8dt02594k","","","0.71073","MoKα","","0.0658","0.0547","","","0.1563","0.1851","","","","","","1.145","","","","has coordinates,has disorder","229420","2020-10-21","18:00:00",""
"7047086","43.866","0.007","17.754","0.003","24.228","0.004","90","","117.574","0.003","90","","16725","5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52.67 H14.33 B Cl1.33 F39 P -","- C52.6667 H14.3333 B Cl1.33333 F39 P -","- C632 H172 B12 Cl16 F468 P12 -","12","3","","LaFortune, James H. W.; Szkop, Kevin M.; Farinha, Farah E.; Johnstone, Timothy C.; Postle, Shawn; Stephan, Douglas W.","Probing steric influences on electrophilic phosphonium cations: a comparison of [(3,5-(CF<sub>3</sub>)<sub>2</sub>C<sub>6</sub>H<sub>3</sub>)<sub>3</sub>PF]<sup>+</sup> and [(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>PF]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11411","11419","10.1039/c8dt02594k","","","0.71073","MoKα","","0.1555","0.0741","","","0.1751","0.2329","","","","","","1.039","","","","has coordinates","229420","2020-10-21","18:00:00",""
"7047087","12.6321","0.0019","14.883","0.002","10.2714","0.0016","90","","105.383","0.004","90","","1861.9","0.5","296","2","296","2","","","","","","","nill","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 Cl Fe N O -","- C23 H18 Cl Fe N O -","- C92 H72 Cl4 Fe4 N4 O4 -","4","1","","Altaf, Ataf Ali; Hamayun, Muhammad; Lal, Bhajan; Tahir, Muhammad Nawaz; Holder, Alvin A.; Badshah, Amin; Crans, Debbie C.","Ferrocene-based anilides: synthesis, structural characterization and inhibition of butyrylcholinesterase.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11769","11781","10.1039/c8dt01726c","","","0.71073","MoKα","","0.068","0.0416","","","0.0993","0.1168","","","","","","1.022","","","","has coordinates","229982","2020-10-21","18:00:00",""
"7047088","5.8071","0.0003","23.944","0.0012","13.5031","0.0009","90","","101.921","0.003","90","","1837.05","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Fe N O -","- C24 H21 Fe N O -","- C96 H84 Fe4 N4 O4 -","4","1","","Altaf, Ataf Ali; Hamayun, Muhammad; Lal, Bhajan; Tahir, Muhammad Nawaz; Holder, Alvin A.; Badshah, Amin; Crans, Debbie C.","Ferrocene-based anilides: synthesis, structural characterization and inhibition of butyrylcholinesterase.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11769","11781","10.1039/c8dt01726c","","","0.71073","MoKα","","0.0632","0.0386","","","0.0808","0.0914","","","","","","1.016","","","","has coordinates","229982","2020-10-21","18:00:00",""
"7047089","13.5291","0.0005","14.7971","0.0005","15.892","0.0005","70.463","0.003","86.734","0.003","64.591","0.004","2694.2","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H68 Cl3 Mo N O4 P3 -","- C55 H68 Cl3 Mo N O4 P3 -","- C110 H136 Cl6 Mo2 N2 O8 P6 -","2","1","","Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.","Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11386","11396","10.1039/c8dt02471e","","","1.54184","CuKα","","0.0489","0.0355","","","0.0834","0.0917","","","","","","1.03","","","","has coordinates,has disorder","229417","2020-10-21","18:00:00",""
"7047090","23.2167","0.0003","18.8351","0.0002","25.8766","0.0003","90","","90","","90","","11315.5","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66.6 H65.8 Mo N O0.2 P5 -","- C64 H60 Mo N P5 -","- C512 H480 Mo8 N8 P40 -","8","1","","Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.","Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11386","11396","10.1039/c8dt02471e","","","1.54184","CuKα","","0.055","0.039","","","0.0864","0.093","","","","","","1.031","","","","has coordinates","229417","2020-10-21","18:00:00",""
"7047091","20.2089","0.0004","10.65052","0.00016","25.2105","0.0004","90","","104.652","0.0019","90","","5249.74","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 Mo N3 P5 -","- C64 H58 Mo N3 P5 -","- C256 H232 Mo4 N12 P20 -","4","1","","Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.","Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11386","11396","10.1039/c8dt02471e","","","1.54184","CuKα","","0.0459","0.0335","","","0.078","0.0852","","","","","","1.023","","","","has coordinates","229417","2020-10-21","18:00:00",""
"7047092","13.1523","0.0004","40.9129","0.0012","15.2959","0.0004","90","","92.818","0.002","90","","8220.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H63 B F21 Mo N P5 -","- C94 H63 B F21 Mo N P5 -","- C376 H252 B4 F84 Mo4 N4 P20 -","4","1","","Apps, Samantha L.; White, Andrew J. P.; Miller, Philip W.; Long, Nicholas J.","Synthesis and reactivity of an N-triphos Mo(0) dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11386","11396","10.1039/c8dt02471e","","","0.71073","MoKα","","0.0757","0.0552","","","0.1026","0.1119","","","","","","1.081","","","","has coordinates","229417","2020-10-21","18:00:00",""
"7047093","10.8207","0.0016","17.65","0.003","13.3819","0.0019","90","","99.691","0.005","90","","2519.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F N4 S -","- C13 H9 F N4 S -","- C104 H72 F8 N32 S8 -","8","2","","Saswati, ?; Adão, Pedro; Majumder, Sudarshana; Dash, Subhashree P.; Roy, Satabdi; Kuznetsov, Maxim L.; Costa Pessoa, João; Gomes, Clara S. B.; Hardikar, Manasi R.; Tiekink, Edward R. T.; Dinda, Rupam","Synthesis, structure, solution behavior, reactivity and biological evaluation of oxidovanadium(iv/v) thiosemicarbazone complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11358","11374","10.1039/c8dt01668b","","","0.71073","MoKα","","0.2037","0.1102","","","0.3049","0.3847","","","","","","1.026","","","","has coordinates","229429","2020-10-21","18:00:00",""
"7047094","19.6","0.003","14.7","0.0008","14.922","0.002","90","","134.83","0.03","90","","3049.1","1.7","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 F N4 O2 S V -","- C14 H12 F N4 O2 S V -","- C112 H96 F8 N32 O16 S8 V8 -","8","1","","Saswati, ?; Adão, Pedro; Majumder, Sudarshana; Dash, Subhashree P.; Roy, Satabdi; Kuznetsov, Maxim L.; Costa Pessoa, João; Gomes, Clara S. B.; Hardikar, Manasi R.; Tiekink, Edward R. T.; Dinda, Rupam","Synthesis, structure, solution behavior, reactivity and biological evaluation of oxidovanadium(iv/v) thiosemicarbazone complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11358","11374","10.1039/c8dt01668b","","","0.71073","MoKα","","0.1006","0.0531","","","0.1208","0.1485","","","","","","1.005","","","","has coordinates,has disorder","229429","2020-10-21","18:00:00",""
"7047095","9.39","0.003","16.663","0.005","9.814","0.003","90","","91.31","0.03","90","","1535.2","0.8","129.98","0.11","129.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0385","0.0307","","","0.0611","0.0643","","","","","","1.038","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047096","9.408","0.003","16.763","0.005","9.794","0.003","90","","91.44","0.03","90","","1544.1","0.8","210.01","0.11","210.01","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0469","0.0341","","","0.0751","0.0793","","","","","","1.049","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047097","9.426","0.003","16.81","0.005","9.785","0.003","90","","91.43","0.03","90","","1550","0.8","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","","0.71073","MoKα","","0.0482","0.0329","","","0.0725","0.0774","","","","","","1.06","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047098","9.404","0.003","16.733","0.005","9.803","0.003","90","","91.38","0.03","90","","1542.1","0.8","190","0.1","190","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.046","0.0333","","","0.0659","0.0703","","","","","","1.061","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047099","9.395","0.003","16.683","0.005","9.811","0.003","90","","91.32","0.03","90","","1537.3","0.8","149.99","0.11","149.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0407","0.0317","","","0.0647","0.0685","","","","","","1.04","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047100","9.454","0.003","16.816","0.005","9.765","0.003","90","","91.52","0.03","90","","1551.9","0.8","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","","0.71073","MoKα","","0.0678","0.0416","","","0.0935","0.1019","","","","","","1.03","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047101","9.412","0.003","16.774","0.005","9.793","0.003","90","","91.44","0.03","90","","1545.6","0.8","220","0.1","220","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0457","0.0332","","","0.0724","0.0772","","","","","","1.059","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047102","9.418","0.003","16.794","0.005","9.79","0.003","90","","91.43","0.03","90","","1548","0.8","240","0.2","240","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0475","0.0327","","","0.0687","0.0731","","","","","","1.077","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047103","7.638","0.003","17.163","0.005","9.524","0.003","90","","93.32","0.03","90","","1246.4","0.7","300","0.2","300","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O8 Zn -","- C10 H14 N2 O8 Zn -","- C40 H56 N8 O32 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.1556","0.0615","","","0.1193","0.1423","","","","","","0.975","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047104","9.389","0.003","16.657","0.005","9.816","0.003","90","","91.3","0.03","90","","1534.8","0.8","119.98","0.11","119.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0382","0.0312","","","0.0658","0.0689","","","","","","1.05","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047105","9.397","0.003","16.694","0.005","9.81","0.003","90","","91.33","0.03","90","","1538.5","0.8","160","0.11","160","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0414","0.0322","","","0.0655","0.0694","","","","","","1.057","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047106","9.415","0.003","16.784","0.005","9.792","0.003","90","","91.44","0.03","90","","1546.9","0.8","230","2","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","","0.71073","MoKα","","0.0471","0.0331","","","0.0733","0.078","","","","","","1.064","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047107","9.393","0.003","16.675","0.005","9.812","0.003","90","","91.32","0.03","90","","1536.4","0.8","140","0.11","140","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0396","0.0312","","","0.0644","0.0678","","","","","","1.056","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047108","9.384","0.003","16.641","0.005","9.817","0.003","90","","91.3","0.03","90","","1532.6","0.8","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0376","0.0309","","","0.064","0.0675","","","","","","1.047","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047109","9.422","0.003","16.803","0.005","9.788","0.003","90","","91.43","0.03","90","","1549.1","0.8","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","","0.71073","MoKα","","0.0478","0.0331","","","0.0716","0.0761","","","","","","1.067","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047110","9.434","0.003","16.817","0.005","9.782","0.003","90","","91.45","0.03","90","","1551.4","0.8","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N2 O11 Zn -","- C10 H20 N2 O11 Zn -","- C40 H80 N8 O44 Zn4 -","4","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","","0.71073","MoKα","","0.0502","0.0336","","","0.0706","0.0762","","","","","","1.072","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047111","9.386","0.003","16.648","0.005","9.816","0.003","90","","91.3","0.03","90","","1533.4","0.8","109.98","0.11","109.98","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0372","0.0304","","","0.0655","0.0688","","","","","","1.055","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047112","9.399","0.003","16.703","0.005","9.807","0.003","90","","91.34","0.03","90","","1539.2","0.8","169.99","0.11","169.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0424","0.0326","","","0.0645","0.0686","","","","","","1.057","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047113","9.402","0.003","16.718","0.005","9.806","0.003","90","","91.36","0.03","90","","1540.9","0.8","179.99","0.11","179.99","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0445","0.0334","","","0.0693","0.0739","","","","","","1.059","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047114","9.406","0.003","16.747","0.005","9.799","0.003","90","","91.41","0.03","90","","1543.1","0.8","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H40 N4 O22 Zn2 -","- C20 H40 N4 O22 Zn2 -","- C40 H80 N8 O44 Zn4 -","2","1","","Pasińska, K; Piecha-Bisiorek, A; Kinzhybalo, V.; Ciżman, A; Gągor, A; Pietraszko, A.","A paraelectric-ferroelectric phase transition of an organically templated zinc oxalate coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11308","11312","10.1039/c8dt02859a","","x-ray","0.71073","MoKα","","0.0486","0.0341","","","0.0677","0.0732","","","","","","1.071","","","","has coordinates","229423","2020-10-21","18:00:00",""
"7047117","12.5443","0.0003","14.5948","0.0004","15.2113","0.0004","90","","90","","90","","2784.91","0.12","177","","177","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl2 N P2 Ti -","- C22 H42 Cl2 N P2 Ti -","- C88 H168 Cl8 N4 P8 Ti4 -","4","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0453","0.0341","","","0.0533","0.0555","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047118","14.8731","0.001","14.7823","0.0009","25.3833","0.0015","90","","90","","90","","5580.7","0.6","173","","173","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C44 H84 Cl6 N2 P4 Zr2 -","- C44 H84 Cl6 N2 P4 Zr2 -","- C176 H336 Cl24 N8 P16 Zr8 -","4","0.5","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0638","0.0568","","","0.1131","0.1168","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047119","27.0349","0.0009","14.8663","0.0004","17.767","0.0006","90","","107.262","0.008","90","","6819.1","0.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H110 N4 P4 Zr2 -","- C68 H110 N4 P4 Zr2 -","- C272 H440 N16 P16 Zr8 -","4","0.5","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.077","0.0592","","","0.1234","0.1313","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047120","47.9405","0.0019","8.5955","0.0003","13.8464","0.0006","90","","97.655","0.007","90","","5654.9","0.4","178","","178","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H47 Cl N P2 Ti -","- C27 H41 Cl N P2 Ti -","- C216 H328 Cl8 N8 P16 Ti8 -","8","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0993","0.0635","","","0.1258","0.1373","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047121","21.3223","0.0006","9.8821","0.0003","28.558","0.003","90","","104.499","0.007","90","","5825.8","0.7","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H47 Cl2 N P2 Zr -","- C27 H42 Cl2 N P2 Zr -","- C216 H336 Cl16 N8 P16 Zr8 -","8","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0602","0.0489","","","0.1034","0.1084","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047122","12.9662","0.0003","22.1194","0.0004","22.1259","0.0004","90","","90","","90","","6345.8","0.2","183","","183","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H94 N4 P4 Ti2 -","- C54 H94 N4 P4 Ti2 -","- C216 H376 N16 P16 Ti8 -","4","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0465","0.0375","","","0.0694","0.0715","","","","","","1.022","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047123","11.1137","0.0004","11.1173","0.0008","13.1286","0.0006","76.066","0.005","66.277","0.004","85.214","0.004","1441.17","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H52 N2 O6 P4 Pd S2 -","- C64 H52 N2 O6 P4 Pd S2 -","- C64 H52 N2 O6 P4 Pd S2 -","1","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.0661","0.0485","","","0.119","0.1319","","","","","","1.04","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047124","12.0527","0.0017","15.931","0.002","17.923","0.002","90","","102.841","0.013","90","","3355.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 N2 O6 P4 Pd S2 -","- C66 H56 N2 O6 P4 Pd S2 -","- C132 H112 N4 O12 P8 Pd2 S4 -","2","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.109","0.0629","","","0.1402","0.1642","","","","","","1.012","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047125","15.4948","0.0005","15.4948","0.0005","18.9918","0.0008","90","","90","","90","","4559.7","0.3","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C40 H32 N2 O6 P2 Pd S2 -","- C40 H32 N2 O6 P2 Pd S2 -","- C160 H128 N8 O24 P8 Pd4 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.0766","0.0457","","","0.0972","0.1092","","","","","","0.965","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047126","12.041","0.0006","15.8287","0.0007","18.0559","0.0009","90","","102.811","0.005","90","","3355.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H70 N4 O8 P4 Pt S2 -","- C72 H70 N4 O8 P4 Pt S2 -","- C144 H140 N8 O16 P8 Pt2 S4 -","2","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.0767","0.0417","","","0.0773","0.0898","","","","","","1.034","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047127","15.742","0.0008","15.742","0.0008","19.1532","0.0009","90","","90","","90","","4746.4","0.4","293","2","293","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C40 H32 N2 O6 P2 Pt S2 -","- C40 H32 N2 O6 P2 Pt S2 -","- C160 H128 N8 O24 P8 Pt4 S8 -","4","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.1055","0.0555","","","0.1328","0.1545","","","","","","1.026","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047128","11.1118","0.0004","11.1453","0.0004","13.1213","0.0005","75.742","0.003","66.147","0.004","85.857","0.003","1439.74","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H52 N2 O6 P4 Pt S2 -","- C64 H52 N2 O6 P4 Pt S2 -","- C64 H52 N2 O6 P4 Pt S2 -","1","0.5","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.0349","0.0332","","","0.0769","0.0781","","","","","","1.028","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047129","37.9658","0.0017","37.9658","0.0017","12.125","0.0009","90","","90","","90","","17477","1.7","293","2","293","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C41 H36 N2 O7 P2 Pt S3 -","- C41 H36 N2 O7 P2 Pt S3 -","- C656 H576 N32 O112 P32 Pt16 S48 -","16","","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.2173","0.0859","","","0.1626","0.2193","","","","","","0.95","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047130","21.662","0.005","17.152","0.002","23.382","0.004","90","","117.04","0.02","90","","7738","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H32 N2 O7 P2 Pd S2 -","- C39 H32 N2 O7 P2 Pd S2 -","- C312 H256 N16 O56 P16 Pd8 S16 -","8","2","","Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Cevatemre, Buse; Alper, Pinar; Ulukaya, Engin","Palladium(II) and platinum(II) saccharinate complexes with bis(diphenylphosphino)methane/ethane: synthesis, S-phase arrest and ROS-mediated apoptosis in human colon cancer cells","Dalton Transactions","2018","","","","","10.1039/C8DT02389A","","x-ray","0.71073","MoKα","","0.1764","0.0765","","","0.1199","0.1563","","","","","","0.998","","","","has coordinates","209250","2020-10-21","18:00:00",""
"7047131","20.2023","0.001","14.2491","0.0009","17.191","0.001","90","","106.517","0.002","90","","4744.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N4 O4 Ti -","- C62 H46 N4 O4 Ti -","- C248 H184 N16 O16 Ti4 -","4","1","","Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","From monomeric complexes to double-stranded helicates constructed around trans-TiO<sub>4</sub>N<sub>2</sub> motifs with intramolecular inter-ligand hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11113","11122","10.1039/c8dt01343h","","","0.71073","MoKα","","0.1123","0.0753","","","0.1732","0.1886","","","","","","1.034","","","","has coordinates","229360","2020-10-21","18:00:00",""
"7047132","50.172","0.004","10.9727","0.0008","37.185","0.003","90","","117.267","0.002","90","","18196","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C119 H92 N8 O8 Ti2 -","- C119 H92 N8 O8 Ti2 -","- C952 H736 N64 O64 Ti16 -","8","1","","Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","From monomeric complexes to double-stranded helicates constructed around trans-TiO<sub>4</sub>N<sub>2</sub> motifs with intramolecular inter-ligand hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11113","11122","10.1039/c8dt01343h","","","0.71073","MoKα","","0.1723","0.0743","","","0.144","0.188","","","","","","1.056","","","","has coordinates","229360","2020-10-21","18:00:00",""
"7047133","11.6088","0.0005","12.5943","0.0004","17.0245","0.0006","83.344","0.002","80.188","0.002","88.761","0.002","2436.12","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 N2 O5 Ti -","- C62 H52 N2 O5 Ti -","- C124 H104 N4 O10 Ti2 -","2","1","","Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","From monomeric complexes to double-stranded helicates constructed around trans-TiO<sub>4</sub>N<sub>2</sub> motifs with intramolecular inter-ligand hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11113","11122","10.1039/c8dt01343h","","","0.71073","MoKα","","0.0454","0.0361","","","0.0885","0.0941","","","","","","1.026","","","","has coordinates","229360","2020-10-21","18:00:00",""
"7047134","13.168","0.001","19.081","0.002","21.467","0.002","66.712","0.003","75.515","0.003","82.992","0.003","4795.2","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C107 H75 Cl9 N4 O8 Ti2 -","- C107 H75 Cl9 N4 O8 Ti2 -","- C214 H150 Cl18 N8 O16 Ti4 -","2","1","","Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","From monomeric complexes to double-stranded helicates constructed around trans-TiO<sub>4</sub>N<sub>2</sub> motifs with intramolecular inter-ligand hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11113","11122","10.1039/c8dt01343h","","","0.71073","MoKα","","0.1466","0.0824","","","0.2384","0.2628","","","","","","1.039","","","","has coordinates","229360","2020-10-21","18:00:00",""
"7047135","10.8958","0.0006","19.0728","0.0016","22.9783","0.0012","105.583","0.005","94.894","0.003","98.119","0.005","4515.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H92 N8 O8 Ti2 -","- C115 H92 N8 O8 Ti2 -","- C230 H184 N16 O16 Ti4 -","2","1","","Khalil, Georges; Barloy, Laurent; Kyritsakas, Nathalie; Mobian, Pierre; Henry, Marc","From monomeric complexes to double-stranded helicates constructed around trans-TiO<sub>4</sub>N<sub>2</sub> motifs with intramolecular inter-ligand hydrogen-bonding interactions.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11113","11122","10.1039/c8dt01343h","","","0.71073","MoKα","","0.0918","0.0491","","","0.1158","0.1372","","","","","","1.027","","","","has coordinates","229360","2020-10-21","18:00:00",""
"7047136","10.081","0.0008","11.4845","0.0009","12.2758","0.001","117.11","0.001","99.553","0.001","104.706","0.001","1156.32","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Eu N O8.5 -","- C22 H12 Eu N O8.5 -","- C44 H24 Eu2 N2 O17 -","2","1","","Gai, Yan-Li; Guo, Qin; Zhao, Xue-Yan; Chen, Yan; Liu, Shan; Zhang, Yuan; Zhuo, Chun-Xue; Yao, Cui; Xiong, Ke-Cai","Extremely stable europium-organic framework for luminescent sensing of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and Fe<sup>3+</sup> in aqueous systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12051","12055","10.1039/c8dt02313a","","","0.71073","MoKα","","0.0363","0.0355","","","0.0989","0.0996","","","","","","1.083","","","","has coordinates","229933","2020-10-21","18:00:00",""
"7047137","10.0735","0.0012","11.4617","0.0014","12.253","0.0014","117.165","0.001","99.515","0.001","104.731","0.001","1150.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Dy N O8.5 -","- C22 H12 Dy N O8.5 -","- C44 H24 Dy2 N2 O17 -","2","1","","Gai, Yan-Li; Guo, Qin; Zhao, Xue-Yan; Chen, Yan; Liu, Shan; Zhang, Yuan; Zhuo, Chun-Xue; Yao, Cui; Xiong, Ke-Cai","Extremely stable europium-organic framework for luminescent sensing of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and Fe<sup>3+</sup> in aqueous systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12051","12055","10.1039/c8dt02313a","","","0.71073","MoKα","","0.0407","0.0399","","","0.1083","0.1093","","","","","","1.045","","","","has coordinates","229933","2020-10-21","18:00:00",""
"7047138","10.083","0.0007","11.4747","0.0008","12.288","0.0009","117.102","0.001","99.478","0.001","104.628","0.001","1158.21","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 N O8.5 Sm -","- C22 H12 N O8.5 Sm -","- C44 H24 N2 O17 Sm2 -","2","1","","Gai, Yan-Li; Guo, Qin; Zhao, Xue-Yan; Chen, Yan; Liu, Shan; Zhang, Yuan; Zhuo, Chun-Xue; Yao, Cui; Xiong, Ke-Cai","Extremely stable europium-organic framework for luminescent sensing of Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> and Fe<sup>3+</sup> in aqueous systems.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12051","12055","10.1039/c8dt02313a","","","0.71073","MoKα","","0.0356","0.0347","","","0.0942","0.0949","","","","","","1.169","","","","has coordinates","229933","2020-10-21","18:00:00",""
"7047139","10.614","0.005","11.86","0.005","13.236","0.006","110.888","0.007","104.818","0.007","105.446","0.006","1382","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Dy N2 O6 -","- C12 H14 Dy N2 O6 -","- C48 H56 Dy4 N8 O24 -","4","2","","Fang, Yu; Ji, Xiao-Qin; Xiong, Jin; Li, Guanzheng; Ma, Fang; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Elucidation of the two-step relaxation processes of a tetranuclear dysprosium molecular nanomagnet through magnetic dilution.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11636","11644","10.1039/c8dt01870g","","","0.71073","MoKα","","0.064","0.0444","","","0.1063","0.1168","","","","","","1.043","","","","has coordinates,has disorder","229431","2020-10-21","18:00:00",""
"7047140","10.7338","0.0013","11.874","0.002","13.261","0.002","111.052","0.015","104.623","0.012","105.043","0.013","1406.8","0.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O12 Y2 -","- C24 H28 N4 O12 Y2 -","- C48 H56 N8 O24 Y4 -","2","1","","Fang, Yu; Ji, Xiao-Qin; Xiong, Jin; Li, Guanzheng; Ma, Fang; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Elucidation of the two-step relaxation processes of a tetranuclear dysprosium molecular nanomagnet through magnetic dilution.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11636","11644","10.1039/c8dt01870g","","x-ray","1.54184","CuKα","","0.1029","0.068","","","0.1763","0.2108","","","","","","1.013","","","","has coordinates","229431","2020-10-21","18:00:00",""
"7047141","12.458","0.007","11.207","0.007","15.772","0.009","90","","101.85","0.008","90","","2155","2","93","2","93","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[(bpy)2Ru(?-qlca)NiCl2]Cl nH2O MeOH","","- C37 H38.86 Cl3 N8 Ni O5.43 Ru -","- C37 H38.92 Cl3 N8 Ni O5.46 Ru -","- C74 H77.84 Cl6 N16 Ni2 O10.92 Ru2 -","2","1","","Ahsan, Habib Md; Breedlove, Brian K.; Piangrawee, Santivongskul; Mian, Mohammad Rasel; Fetoh, Ahmed; Cosquer, Goulven; Yamashita, Masahiro","Enhancement of electrocatalytic abilities for reducing carbon dioxide: functionalization with a redox-active ligand-coordinated metal complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11313","11316","10.1039/c8dt02288g","","","0.71073","MoKα","","0.0623","0.0507","","","0.1139","0.1207","","","","","","1.075","","","","has coordinates","229425","2020-10-21","18:00:00",""
"7047142","10.5285","0.0002","14.0615","0.0003","20.1189","0.0004","90","","92.004","0.001","90","","2976.71","0.1","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 N O P Rh Sb -","- C33 H36 N O P Rh Sb -","- C132 H144 N4 O4 P4 Rh4 Sb4 -","4","1","","Kosanovich, Alex J.; Jordan, Aldo M.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Synthesis and characterization of rhodium, iridium, and palladium complexes of a diarylamido-based PNSb pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11619","11624","10.1039/c8dt02207k","","","1.54178","CuKα","","0.0416","0.0299","","","0.0673","0.073","","","","","","1.041","","","","has coordinates","229412","2020-10-21","18:00:00",""
"7047143","10.9102","0.001","13.5063","0.0013","19.3671","0.0019","92.792","0.002","102.919","0.002","91.739","0.002","2775.8","0.5","184.5","0.2","184.5","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H83 Ca N4 O2 Si2 -","- C53 H83 Ca N4 O2 Si2 -","- C106 H166 Ca2 N8 O4 Si4 -","2","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.1286","0.0789","","","0.2009","0.2577","","","","","","1.026","","","","has coordinates","229911","2020-10-21","18:00:00",""
"7047144","8.965","0.003","8.972","0.003","13.985","0.004","93.281","0.007","102.433","0.007","106.766","0.007","1043.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 N6 O4 -","- C45 H58 N6 O4 -","- C45 H58 N6 O4 -","1","0.5","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.1377","0.0555","","","0.1259","0.1665","","","","","","0.991","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047145","14.8204","0.0014","15.7062","0.0015","29.189","0.003","90","","90","","90","","6794.4","1.1","184.5","0.2","184.5","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C23 H38 Ca N4 O2 Si2 -","- C23 H38 Ca N4 O2 Si2 -","- C184 H304 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.0979","0.0645","","","0.179","0.2047","","","","","","1.029","","","","has coordinates","229911","2020-10-21","18:00:00",""
"7047146","20.971","0.0011","19.1804","0.001","24.3516","0.0012","90","","90","","90","","9795","0.9","184.5","0.2","184.5","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H80 Ca N4 O2 Si2 -","- C44 H80 Ca N4 O2 Si2 -","- C352 H640 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.1254","0.0706","","","0.146","0.1734","","","","","","1.019","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047147","11.67","0.002","20.804","0.003","20.145","0.003","90","","103.268","0.003","90","","4760.3","1.3","184.5","0.2","184.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H76 Ca N4 O2 Si2 -","- C42 H76 Ca N4 O2 Si2 -","- C168 H304 Ca4 N16 O8 Si8 -","4","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.1063","0.0753","","","0.1939","0.2162","","","","","","1.037","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047148","14.9714","0.0012","16.1922","0.0013","29.027","0.002","90","","90","","90","","7036.7","0.9","184.5","0.2","184.5","0.2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H50 Ca N4 O2 Si2 -","- C32 H50 Ca N4 O2 Si2 -","- C256 H400 Ca8 N32 O16 Si16 -","8","1","","Liu, Na; Liu, Bo; Cui, Dongmei","Alkaline earth metal complexes stabilized by amidine and guanidine ligands: synthesis, structure and their catalytic activity towards polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12623","12632","10.1039/c8dt01434e","","","0.71073","MoKα","","0.0853","0.0535","","","0.1231","0.1413","","","","","","1.014","","","","has coordinates,has disorder","229911","2020-10-21","18:00:00",""
"7047149","9.7739","0.0003","11.5955","0.0004","12.7567","0.0004","95.728","0.003","101.347","0.003","90.395","0.003","1409.9","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O6 Zr -","- C32 H30 N2 O6 Zr -","- C64 H60 N4 O12 Zr2 -","2","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0274","0.0245","","","0.0605","0.0623","","","","","","1.05","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047150","9.70835","0.00007","17.17797","0.00014","18.59264","0.00014","90","","95.7585","0.0007","90","","3085.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Hf N2 O6 -","- C34 H34 Hf N2 O6 -","- C136 H136 Hf4 N8 O24 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0429","0.0434","","","","","","1.164","","","","has coordinates,has disorder","229363","2020-10-21","18:00:00",""
"7047151","10.5451","0.0004","13.0261","0.0006","17.4544","0.0008","97.351","0.004","106.21","0.004","98.564","0.004","2240","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H62 N2 O6 Zr -","- C48 H62 N2 O6 Zr -","- C96 H124 N4 O12 Zr2 -","2","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","1.54184","CuKα","","0.061","0.0459","","","0.1084","0.1155","","","","","","1.018","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047152","12.08302","0.00009","18.98014","0.00013","27.6971","0.0002","90","","90","","90","","6351.98","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C70 H44 Cl4 Hf N4 O8 -","- C70 H44 Cl4 Hf N4 O8 -","- C280 H176 Cl16 Hf4 N16 O32 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","1.54184","CuKα","","0.0342","0.0334","","","0.0893","0.0902","","","","","","1.028","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047153","12.0743","0.0002","18.9545","0.0004","27.7599","0.0005","90","","90","","90","","6353.2","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C68 H40 N4 O8 Zr -","- C68 H40 N4 O8 Zr -","- C272 H160 N16 O32 Zr4 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0587","0.0534","","","0.1552","0.1584","","","","","","1.074","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047154","16.749","0.0002","14.56752","0.00012","16.85932","0.00016","90","","101.399","0.001","90","","4032.39","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 N4 O8 Zr -","- C52 H32 N4 O8 Zr -","- C208 H128 N16 O32 Zr4 -","4","0.5","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","1.54184","CuKα","","0.0221","0.0207","","","0.0499","0.0505","","","","","","1.114","","","","has coordinates,has disorder","229363","2020-10-21","18:00:00",""
"7047155","21.458","0.0003","18.0852","0.0002","25.5064","0.0004","90","","94.3075","0.0013","90","","9870.4","0.2","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N2 O6 Zr -","- C40 H34 N2 O6 Zr -","- C480 H408 N24 O72 Zr12 -","12","1.5","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0335","0.0317","","","0.0829","0.084","","","","","","1.099","","","","has coordinates,has disorder","229363","2020-10-21","18:00:00",""
"7047156","10.117","0.0002","29.0237","0.0007","12.8277","0.0003","90","","106.436","0.003","90","","3612.71","0.15","99.99","0.14","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Hf N2 O6 -","- C42 H38 Hf N2 O6 -","- C168 H152 Hf4 N8 O24 -","4","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0323","0.026","","","0.0664","0.0672","","","","","","1.083","","","","has coordinates","229363","2020-10-21","18:00:00",""
"7047157","16.69585","0.00013","14.60495","0.00009","16.88832","0.00011","90","","101.318","0.0007","90","","4037.99","0.05","99.8","0.4","99.8","0.4","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Hf N4 O8 -","- C52 H32 Hf N4 O8 -","- C208 H128 Hf4 N16 O32 -","4","0.5","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0156","0.0149","","","0.0357","0.0361","","","","","","1.086","","","","has coordinates,has disorder","229363","2020-10-21","18:00:00",""
"7047158","10.62492","0.00009","13.18535","0.0001","17.815","0.00014","91.5475","0.0006","91.2308","0.0007","98.6382","0.0007","2465.73","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C50.5 H67 Cl Hf N2 O6 -","- C50.5 H67 Cl Hf N2 O6 -","- C101 H134 Cl2 Hf2 N4 O12 -","2","1","","Kuhlmann, Lisa; Methling, Rafael; Simon, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Strassert, Cristian A.; Mitzel, Norbert W.","Fluorescent phenoxy benzoxazole complexes of zirconium and hafnium: synthesis, structure and photo-physical behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11245","11252","10.1039/c8dt01757c","","x-ray","0.71073","MoKα","","0.0211","0.0199","","","0.0501","0.0506","","","","","","1.123","","","","has coordinates,has disorder","229363","2020-10-21","18:00:00",""
"7047159","15.1336","0.0016","16.1293","0.0017","23.422","0.002","90","","107.389","0.001","90","","5455.9","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H59 Cl2 Ir N6 -","- C67 H59 Cl2 Ir N6 -","- C268 H236 Cl8 Ir4 N24 -","4","1","","Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong","High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12243","12252","10.1039/c8dt02781a","","","0.71073","MoKα","","0.0653","0.0388","","","0.0831","0.0929","","","","","","0.994","","","","has coordinates","229949","2020-10-21","18:00:00",""
"7047160","23.6369","0.0011","18.4262","0.0009","24.0732","0.0012","90","","90","","90","","10484.8","0.9","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C109 H56 Cl2 F36 Ir2 N12 -","- C109 H56 Cl2 F36 Ir2 N12 -","- C436 H224 Cl8 F144 Ir8 N48 -","4","0.5","","Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong","High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12243","12252","10.1039/c8dt02781a","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","229949","2020-10-21","18:00:00",""
"7047161","16.4832","0.0005","17.6037","0.0005","25.5185","0.0007","109.318","0.001","95.808","0.002","100.477","0.001","6766.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H102 F36 Ir2 N12 -","- C144 H102 F36 Ir2 N12 -","- C288 H204 F72 Ir4 N24 -","2","1","","Tong, Bihai; Wang, Han; Chen, Man; Zhou, Shixiong; Hu, Yuanyuan; Zhang, Qianfeng; He, Gufeng; Fu, Lianshe; Shi, Huatian; Jin, Long; Zhou, Huidong","High efficiency green OLEDs based on homoleptic iridium complexes with steric phenylpyridazine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12243","12252","10.1039/c8dt02781a","","","0.71073","MoKα","","0.0744","0.0505","","","0.1444","0.1664","","","","","","0.983","","","","has coordinates,has disorder","229949","2020-10-21","18:00:00",""
"7047162","12.34","0.01","5.501","0.005","23.97","0.02","90","","93.693","0.013","90","","1624","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3,4,5-tetraphenyl-1-(1R,2S,5R)-menthyl)oxymethyl-1-phosphacyclopentadiene-2,4","","- C39 H41 O P -","- C39 H41 O P -","- C78 H82 O2 P2 -","2","1","","Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga","Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11521","11529","10.1039/c8dt02208a","","","0.71073","MoKα","","0.1496","0.0631","","","0.1216","0.1562","","","","","","0.978","","","","has coordinates,has disorder","229416","2020-10-21","18:00:00",""
"7047163","25.309","0.002","11.6311","0.001","24.649","0.002","90","","117.22","0.005","90","","6452.4","1","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1-((1R,2S,5R)-(-)-menthyl)methyl)-2,3,4,5-tetraphenylphosphole-1-oxide","","- C39 H41 O2 P -","- C39 H41 O2 P -","- C156 H164 O8 P4 -","4","1","","Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga","Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11521","11529","10.1039/c8dt02208a","","x-ray","0.71073","MoKα","","0.108","0.0763","","","0.2039","0.2454","","","","","","1.024","","","","has coordinates","229416","2020-10-21","18:00:00",""
"7047164","28.3493","0.0013","9.1128","0.0005","17.1826","0.001","90","","117.949","0.003","90","","3921.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Br4 N3 Pt -","- C16 H17 Br4 N3 Pt -","- C128 H136 Br32 N24 Pt8 -","8","1","","Bouché, Mathilde; Bonnefont, Antoine; Achard, Thierry; Bellemin-Laponnaz, Stéphane","Exploring diversity in platinum(iv) N-heterocyclic carbene complexes: synthesis, characterization, reactivity and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11491","11502","10.1039/c8dt02113a","","","0.71073","MoKα","","0.1152","0.0543","","","0.1206","0.175","","","","","","1.042","","","","has coordinates","229421","2020-10-21","18:00:00",""
"7047165","8.5017","0.0003","10.8938","0.0004","13.2286","0.0005","70.07","0.002","78.846","0.002","70.548","0.002","1081.63","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Br4 N3 Pt -","- C17 H25 Br4 N3 Pt -","- C34 H50 Br8 N6 Pt2 -","2","1","","Bouché, Mathilde; Bonnefont, Antoine; Achard, Thierry; Bellemin-Laponnaz, Stéphane","Exploring diversity in platinum(iv) N-heterocyclic carbene complexes: synthesis, characterization, reactivity and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11491","11502","10.1039/c8dt02113a","","","0.71073","MoKα","","0.0646","0.0406","","","0.0968","0.136","","","","","","1.113","","","","has coordinates","229421","2020-10-21","18:00:00",""
"7047166","9.1553","0.0004","8.8508","0.0005","24.2373","0.0008","90","","93.53","0.002","90","","1960.26","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br4 N3 O Pt -","- C15 H21 Br4 N3 O Pt -","- C60 H84 Br16 N12 O4 Pt4 -","4","1","","Bouché, Mathilde; Bonnefont, Antoine; Achard, Thierry; Bellemin-Laponnaz, Stéphane","Exploring diversity in platinum(iv) N-heterocyclic carbene complexes: synthesis, characterization, reactivity and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11491","11502","10.1039/c8dt02113a","","","0.71073","MoKα","","0.1173","0.0805","","","0.2118","0.2453","","","","","","1.095","","","","has coordinates","229421","2020-10-21","18:00:00",""
"7047167","37.284","0.005","8.189","0.005","17.397","0.005","90","","100.62","0.005","90","","5221","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hj2155","","","- C29 H38 N2 Ru -","- C29 H38 N2 Ru -","- C232 H304 N16 Ru8 -","8","1","","Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don","Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12138","12146","10.1039/c8dt01925h","","","0.71073","MoKα","","0.0314","0.0267","","","0.0635","0.0672","","","","","","1.055","","","","has coordinates","229932","2020-10-21","18:00:00",""
"7047168","12.928","0.0007","14.3194","0.0007","14.4973","0.0008","99.223","0.002","99.449","0.002","100.588","0.002","2551.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","hj4204","","","- C58 H52.5 B F15.5 N2 Ru -","- C58 H52.5 B F15.5 N2 Ru -","- C116 H105 B2 F31 N4 Ru2 -","2","1","","Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don","Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12138","12146","10.1039/c8dt01925h","","","0.71073","MoKα","","0.0468","0.039","","","0.0907","0.0954","","","","","","1.039","","","","has coordinates,has disorder","229932","2020-10-21","18:00:00",""
"7047169","15.4693","0.0019","16.581","0.002","21.2","0.003","78.787","0.002","88.279","0.002","63.664","0.002","4770.5","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","hj3052","","","- C52 H46 B F15 N2 Ru -","- C52 H46 B F15 N2 Ru -","- C208 H184 B4 F60 N8 Ru4 -","4","2","","Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don","Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12138","12146","10.1039/c8dt01925h","","","0.71073","MoKα","","0.2124","0.0913","","","0.1877","0.2473","","","","","","0.959","","","","has coordinates","229932","2020-10-21","18:00:00",""
"7047170","11.0987","0.0005","11.9821","0.0006","30.851","0.0015","90","","94.924","0.003","90","","4087.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hj4156","","","- C45.5 H63 N2 Ru Si -","- C45.5 H63 N2 Ru Si -","- C182 H252 N8 Ru4 Si4 -","4","1","","Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don","Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12138","12146","10.1039/c8dt01925h","","","0.71073","MoKα","","0.055","0.036","","","0.0692","0.076","","","","","","1.028","","","","has coordinates,has disorder","229932","2020-10-21","18:00:00",""
"7047171","41.96","0.003","12.2682","0.001","30.258","0.003","90","","129.486","0.003","90","","12021.3","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","hj3162","","","- C59 H93 K N2 O10.5 Ru -","- C59 H93 K N2 O10.5 Ru -","- C472 H744 K8 N16 O84 Ru8 -","8","1","","Liu, Hsueh-Ju; Ziegler, Micah S.; Tilley, T. Don","Synthesis, structures, and reactivity studies of cyclometalated N-heterocyclic carbene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12138","12146","10.1039/c8dt01925h","","","0.71073","MoKα","","0.0514","0.0402","","","0.1017","0.1095","","","","","","1.046","","","","has coordinates,has disorder","229932","2020-10-21","18:00:00",""
"7047172","19.7435","0.0011","30.6695","0.0007","27.521","0.0015","90","","120.528","0.003","90","","14354.6","1.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H160 Dy2 N9 O28 Zn2 -","- C117 H160 Dy2 N9 O28 Zn2 -","- C468 H640 Dy8 N36 O112 Zn8 -","4","1","","Wang, Gang; Xu, Cong; Wang, Li; Liu, Weisheng","Highly efficient 3d/4d-4f coordination polymer catalysts for carbon dioxide fixation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12711","12717","10.1039/c8dt02576b","","x-ray","1.54178","CuKα","","0.1189","0.0802","","","0.2076","0.2474","","","","","","1.021","","","","has coordinates","229928","2020-10-21","18:00:00",""
"7047173","23.436","0.002","8.3954","0.0007","25.163","0.002","90","","90","","90","","4950.9","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C208 H272 N16 O32 -","8","1","","Wang, Gang; Xu, Cong; Wang, Li; Liu, Weisheng","Highly efficient 3d/4d-4f coordination polymer catalysts for carbon dioxide fixation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12711","12717","10.1039/c8dt02576b","","","0.71073","MoKα","","0.1052","0.0595","","","0.1092","0.1271","","","","","","1.052","","","","has coordinates,has disorder","229928","2020-10-21","18:00:00",""
"7047174","19.5629","0.0009","30.9876","0.0007","27.6893","0.0014","90","","121.014","0.003","90","","14385.8","1.1","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C113 H150 Cd2.02 Dy2 N9 O25 -","- C113 H150 Cd2.019 Dy2 N9 O25 -","- C452 H600 Cd8.076 Dy8 N36 O100 -","4","1","","Wang, Gang; Xu, Cong; Wang, Li; Liu, Weisheng","Highly efficient 3d/4d-4f coordination polymer catalysts for carbon dioxide fixation into cyclic carbonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12711","12717","10.1039/c8dt02576b","","x-ray","0.71073","MoKα","","0.1188","0.0686","","","0.157","0.1855","","","","","","1.033","","","","has coordinates,has disorder","229928","2020-10-21","18:00:00",""
"7047175","18.893","0.003","18.893","0.003","26.092","0.005","90","","90","","120","","8066","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H72 Cu11 I13 N12 O20 Zn2 -","- C81 H72 Cu11 I13 N12 O20 Zn2 -","- C243 H216 Cu33 I39 N36 O60 Zn6 -","3","0.166667","","Liu, Jian-Jun; Xiang, Zheng; Guan, Ying-Fang; Huang, Chang-Cang; Lin, Mei-Jin","Two novel donor-acceptor hybrid heterostructures with enhanced visible-light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12041","12045","10.1039/c8dt02675k","","","0.71073","MoKα","","0.0851","0.0706","","","0.2163","0.2315","","","","","","1.041","","","","has coordinates","229951","2020-10-21","18:00:00",""
"7047176","21.69","0.004","12.031","0.002","13.804","0.003","90","","99.9","0.03","90","","3548.5","1.2","153","2","153","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C52 H40 Cu5 I7 N4 O14 Tb -","- C52 H40 Cu5 I7 N4 O14 Tb -","- C104 H80 Cu10 I14 N8 O28 Tb2 -","2","0.5","","Liu, Jian-Jun; Xiang, Zheng; Guan, Ying-Fang; Huang, Chang-Cang; Lin, Mei-Jin","Two novel donor-acceptor hybrid heterostructures with enhanced visible-light photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12041","12045","10.1039/c8dt02675k","","","0.71073","MoKα","","0.0777","0.0663","","","0.2038","0.214","","","","","","1.108","","","","has coordinates","229951","2020-10-21","18:00:00",""
"7047177","11.2319","0.0009","11.4422","0.001","14.0564","0.0012","88.211","0.002","87.338","0.002","63.393","0.001","1613.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 B Co N3 O3 -","- C34 H42 B Co N3 O3 -","- C68 H84 B2 Co2 N6 O6 -","2","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.0677","0.0482","","","0.1133","0.1244","","","","","","1.019","","","","has coordinates,has disorder","229941","2020-10-21","18:00:00",""
"7047178","14.3233","0.0007","13.3449","0.0006","15.9647","0.0007","90","","114.139","0.001","90","","2784.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B Co N3 O3 -","- C28 H36 B Co N3 O3 -","- C112 H144 B4 Co4 N12 O12 -","4","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.0436","0.0317","","","0.0786","0.0849","","","","","","1.052","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047179","14.271","0.003","23.235","0.005","15.881","0.003","90","0.03","99.79","0.03","90","0.03","5189.2","1.9","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 B Co N3 O5 -","- C24 H34 B Co N3 O5 -","- C192 H272 B8 Co8 N24 O40 -","8","2","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","1.54178","CuKα","","0.0813","0.0663","","","0.1818","0.1922","","","","","","1.083","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047180","11.683","0.002","13.302","0.003","16.168","0.003","90","0.03","93.68","0.03","90","0.03","2507.4","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 B Co N3 O3 -","- C23 H34 B Co N3 O3 -","- C92 H136 B4 Co4 N12 O12 -","4","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","1.54178","CuKα","","0.0364","0.0317","","","0.0794","0.0825","","","","","","1.03","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047181","10.3916","0.0009","12.2557","0.0009","13.3566","0.0012","94.681","0.007","110.553","0.006","112.444","0.005","1425.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B Co N3 O5 -","- C28 H34 B Co N3 O5 -","- C56 H68 B2 Co2 N6 O10 -","2","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","1.54178","CuKα","","0.0586","0.0482","","","0.1319","0.1393","","","","","","1.049","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047182","10.161","0.0008","10.5368","0.0009","13.7127","0.0011","89.764","0.002","78.934","0.002","81.773","0.002","1425.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H40 B Co N3 O5 -","- C25 H34 B Co N3 O5 -","- C50 H68 B2 Co2 N6 O10 -","2","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.0626","0.0462","","","0.1355","0.1518","","","","","","0.769","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047183","12.3663","0.0006","14.2328","0.0007","42.322","0.002","90","","90.904","0.001","90","","7448","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 B Co N3 O3 Si -","- C25 H40 B Co N3 O3 Si -","- C200 H320 B8 Co8 N24 O24 Si8 -","8","2","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.1128","0.0751","","","0.2587","0.2939","","","","","","1.019","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047184","13.5919","0.0016","11.0811","0.0013","17.801","0.002","90","","95.162","0.0019","90","","2670.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B Co N3 O3 -","- C25 H38 B Co N3 O3 -","- C100 H152 B4 Co4 N12 O12 -","4","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.0708","0.0615","","","0.1772","0.1829","","","","","","1.105","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047185","10.8101","0.0006","11.5931","0.0007","13.7312","0.0008","90.193","0.003","112.684","0.002","114.132","0.002","1422.21","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 B Co N3 O5 -","- C26 H38 B Co N3 O5 -","- C52 H76 B2 Co2 N6 O10 -","2","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","0.71073","MoKα","","0.0554","0.0385","","","0.1065","0.1182","","","","","","1.189","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047186","12.233","0.003","14.313","0.004","17.118","0.005","74.05","0.02","80.17","0.04","87.18","0.02","2839.5","1.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 B Co N3 O5 -","- C29 H36 B Co N3 O5 -","- C116 H144 B4 Co4 N12 O20 -","4","2","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","1.54184","CuKα","","0.0719","0.0452","","","0.1009","0.1128","","","","","","1.006","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047187","10.051","0.008","20.285","0.017","23.098","0.016","90","","100.729","0.013","90","","4627","6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 B Co N3 O5 -","- C49 H62 B Co N3 O5 -","- C196 H248 B4 Co4 N12 O20 -","4","1","","Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12147","12161","10.1039/c8dt02661k","","","1.54184","CuKα","","0.0489","0.039","","","0.0907","0.0949","","","","","","1.038","","","","has coordinates","229941","2020-10-21","18:00:00",""
"7047188","33.0877","0.0008","13.6008","0.0004","14.108","0.0003","90","","102.249","0.002","90","","6204.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.95 H16.25 Eu N0.65 O8 -","- C22.95 H16.25 Eu N0.65 O8 -","- C183.6 H130 Eu8 N5.2 O64 -","8","1","","Cheng, Yue; Zhang, Huimin; Yang, Bin; Wu, Jie; Wang, Yixiao; Ding, Bin; Huo, Jianzhong; Li, Yan","Highly efficient fluorescence sensing of phosphate by dual-emissive lanthanide MOFs.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12273","12283","10.1039/c8dt01515e","","","1.54184","CuKα","","0.0472","0.0399","","","0.1019","0.1081","","","","","","1.043","","","","has coordinates,has disorder","229937","2020-10-21","18:00:00",""
"7047189","13.3256","0.0003","20.6165","0.0005","34.629","0.0008","90","","91.186","0.002","90","","9511.5","0.4","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Bbt-stannabenzene_dimer","","","- C78 H150 Si12 Sn2 -","- C78 H150 Si12 Sn2 -","- C312 H600 Si48 Sn8 -","4","0.5","","Mizuhata, Yoshiyuki; Fujimori, Shiori; Noda, Naoya; Kanesato, Shuhei; Tokitoh, Norihiro","Generation of stannabenzenes and their monomer-dimer equilibration.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14436","14444","10.1039/c8dt02994f","","","0.71073","MoKα","","0.0772","0.0741","","","0.1532","0.1543","","","","","","1.43","","","","has coordinates,has disorder","229348","2020-10-21","18:00:00",""
"7047190","13.1457","0.0005","17.6295","0.0006","23.9146","0.0008","86.335","0.003","87.984","0.003","70.515","0.003","5213.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","Bbt-stannabenzene_chromium_complex","Bbt-stannabenzene_chromium_complex","","- C42 H80 Cr O3 Si7 Sn -","- C42 H80 Cr O3 Si7 Sn -","- C168 H320 Cr4 O12 Si28 Sn4 -","4","2","","Mizuhata, Yoshiyuki; Fujimori, Shiori; Noda, Naoya; Kanesato, Shuhei; Tokitoh, Norihiro","Generation of stannabenzenes and their monomer-dimer equilibration.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14436","14444","10.1039/c8dt02994f","","","0.71073","MoKα","","0.1269","0.0606","","","0.0892","0.1097","","","","","","0.993","","","","has coordinates,has disorder","229348","2020-10-21","18:00:00",""
"7047191","11.558","0.004","14.564","0.005","15.271","0.005","90","","109.552","0.004","90","","2422.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Dy2 N4 O10 -","- C44 H54 Dy2 N4 O10 -","- C88 H108 Dy4 N8 O20 -","2","0.5","","Gao, Feng; Zhang, Yi-Quan; Sun, Wang; Liu, Huan; Chen, Xiaoyu","Syntheses, structures and magnetic properties of macrocyclic Schiff base-supported homodinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11696","11704","10.1039/c8dt02243g","","","0.71073","MoKα","","0.0612","0.0455","","","0.1188","0.126","","","","","","0.991","","","","has coordinates","229415","2020-10-21","18:00:00",""
"7047192","11.629","0.0019","14.544","0.002","15.311","0.003","90","","109.493","0.002","90","","2441.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Ho2 N4 O10 -","- C44 H54 Ho2 N4 O10 -","- C88 H108 Ho4 N8 O20 -","2","0.5","","Gao, Feng; Zhang, Yi-Quan; Sun, Wang; Liu, Huan; Chen, Xiaoyu","Syntheses, structures and magnetic properties of macrocyclic Schiff base-supported homodinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11696","11704","10.1039/c8dt02243g","","","0.71073","MoKα","","0.0446","0.0341","","","0.0801","0.0841","","","","","","0.992","","","","has coordinates","229415","2020-10-21","18:00:00",""
"7047193","11.576","0.002","14.673","0.003","15.396","0.003","90","","109.464","0.002","90","","2465.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Gd2 N4 O10 -","- C44 H54 Gd2 N4 O10 -","- C88 H108 Gd4 N8 O20 -","2","0.5","","Gao, Feng; Zhang, Yi-Quan; Sun, Wang; Liu, Huan; Chen, Xiaoyu","Syntheses, structures and magnetic properties of macrocyclic Schiff base-supported homodinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11696","11704","10.1039/c8dt02243g","","","0.71073","MoKα","","0.0461","0.0356","","","0.0875","0.0926","","","","","","1.015","","","","has coordinates","229415","2020-10-21","18:00:00",""
"7047194","11.5027","0.0007","14.4339","0.0009","15.1008","0.001","90","","109.51","0.001","90","","2363.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N4 O12 Tb2 -","- C46 H62 N4 O12 Tb2 -","- C92 H124 N8 O24 Tb4 -","2","0.5","","Gao, Feng; Zhang, Yi-Quan; Sun, Wang; Liu, Huan; Chen, Xiaoyu","Syntheses, structures and magnetic properties of macrocyclic Schiff base-supported homodinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11696","11704","10.1039/c8dt02243g","","","0.71073","MoKα","","0.0376","0.0275","","","0.0595","0.0634","","","","","","1.04","","","","has coordinates","229415","2020-10-21","18:00:00",""
"7047195","11.664","0.003","14.533","0.004","15.322","0.004","90","","109.608","0.003","90","","2446.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Er2 N4 O10 -","- C44 H54 Er2 N4 O10 -","- C88 H108 Er4 N8 O20 -","2","0.5","","Gao, Feng; Zhang, Yi-Quan; Sun, Wang; Liu, Huan; Chen, Xiaoyu","Syntheses, structures and magnetic properties of macrocyclic Schiff base-supported homodinuclear lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11696","11704","10.1039/c8dt02243g","","","0.71073","MoKα","","0.048","0.0395","","","0.0966","0.1016","","","","","","0.984","","","","has coordinates","229415","2020-10-21","18:00:00",""
"7047196","21.0673","0.0007","9.5867","0.0003","16.1406","0.0005","90","","129.594","0.001","90","","2511.98","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H84 N2 Si10 -","- C36 H84 N2 Si10 -","- C72 H168 N4 Si20 -","2","0.5","","Ishida, Shintaro; Tamura, Tomofumi; Iwamoto, Takeaki","Dearomative cycloadditions of a silylene with pyrazine and quinoxaline.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11317","11321","10.1039/c8dt02802h","","","0.71073","MoKα","","0.0362","0.0346","","","0.0839","0.0851","","","","","","1.061","","","","has coordinates","229428","2020-10-21","18:00:00",""
"7047197","11.4668","0.0003","13.4537","0.0004","20.1191","0.0006","77.163","0.001","84.505","0.001","72.103","0.001","2878.51","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H94 N2 Si10 -","- C47 H94 N2 Si10 -","- C94 H188 N4 Si20 -","2","1","","Ishida, Shintaro; Tamura, Tomofumi; Iwamoto, Takeaki","Dearomative cycloadditions of a silylene with pyrazine and quinoxaline.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11317","11321","10.1039/c8dt02802h","","","0.71073","MoKα","","0.035","0.0301","","","0.0736","0.0765","","","","","","1.045","","","","has coordinates","229428","2020-10-21","18:00:00",""
"7047198","3.9767","0.0003","9.4598","0.0007","13.159","0.001","90","","90","","90","","495.03","0.06","293","","293","","","","","","","","","3","I m m m","-I 2 2","71","","","","- Pd4 Sc5 Si6 -","- Pd4 Sc5 Si6 -","- Pd8 Sc10 Si12 -","2","0.125","","Schubert, Lea; Doerenkamp, Carsten; Haverkamp, Sandra; Heletta, Lukas; Eckert, Hellmut; Pöttgen, Rainer","Sc<sub>5</sub>Pd<sub>4</sub>Si<sub>6</sub>- crystal structure and <sup>29</sup>Si/<sup>45</sup>Sc solid state MAS NMR spectroscopic investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13025","13031","10.1039/c8dt02083c","","x-ray","0.71359","X-ray","","0.0124","0.0096","","","0.0235","0.0245","","","","0.97","0.97","0.96","","","","has coordinates","229289","2020-10-21","18:00:00",""
"7047199","17.4674","0.0017","10.636","0.0011","17.9626","0.0019","90","","106.425","0.003","90","","3201","0.6","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 B2 F8 Fe N4 Se2 -","- C32 H28 B2 F8 Fe N4 Se2 -","- C128 H112 B8 F32 Fe4 N16 Se8 -","4","0.5","","Patel, Upali; Abbas, Mohammed A.; McMillen, Colin D.; Brumaghim, Julia L.","Selective cation and anion guest binding in host selenazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12066","12070","10.1039/c8dt02110d","","","0.71073","MoKα","","0.0636","0.0496","","","0.1144","0.1286","","","","","","1.074","","","","has coordinates","229935","2020-10-21","18:00:00",""
"7047200","13.1966","0.0005","17.7653","0.0007","16.4051","0.0006","90","","102.079","0.001","90","","3760.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B2 F8 Fe N6 Se2 -","- C36 H34 B2 F8 Fe N6 Se2 -","- C144 H136 B8 F32 Fe4 N24 Se8 -","4","1","","Patel, Upali; Abbas, Mohammed A.; McMillen, Colin D.; Brumaghim, Julia L.","Selective cation and anion guest binding in host selenazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12066","12070","10.1039/c8dt02110d","","","0.71073","MoKα","","0.0374","0.0275","","","0.0767","0.093","","","","","","1.2","","","","has coordinates","229935","2020-10-21","18:00:00",""
"7047201","14.941","0.002","7.8551","0.0011","15.117","0.0018","90","","107.334","0.004","90","","1693.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 B2 F8 N4 Se2 -","- C32 H38 B2 F8 N4 Se2 -","- C64 H76 B4 F16 N8 Se4 -","2","0.5","","Patel, Upali; Abbas, Mohammed A.; McMillen, Colin D.; Brumaghim, Julia L.","Selective cation and anion guest binding in host selenazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12066","12070","10.1039/c8dt02110d","","","0.71073","MoKα","","0.0319","0.0266","","","0.0576","0.0595","","","","","","1.081","","","","has coordinates","229935","2020-10-21","18:00:00",""
"7047202","21.7773","0.0013","13.2666","0.0008","17.6201","0.0011","90","","107.451","0.0008","90","","4856.3","0.5","88","2","88","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(TMEDA)Fe(II)(Br)-(μ-OH)-Fe(III)MST]","","- C40 H64 Br Cl2 Fe2 N6 O7 S3 -","- C40 H64 Br Cl2 Fe2 N6 O7 S3 -","- C160 H256 Br4 Cl8 Fe8 N24 O28 S12 -","4","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0361","0.029","","","0.0712","0.0745","","","","","","1.038","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047203","34.1173","0.0018","34.1173","0.0018","21.0137","0.0011","90","","90","","120","","21182.8","1.9","88","2","88","2","","","","","","","","6","R -3 :H","-R 3","148","","[(TMEDA)Fe(II)(N3)-(μ-OH)-Fe(III)MST]","","- C39 H62 Fe2 N9 O7 S3 -","- C39 H62 Fe2 N9 O7 S3 -","- C702 H1116 Fe36 N162 O126 S54 -","18","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0511","0.0358","","","0.0879","0.0969","","","","","","1.019","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047204","39.277","0.005","16.972","0.002","18.844","0.002","90","","110.787","0.0015","90","","11744","2","133","2","133","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(TMEDA)Co(II)(OTf)-(μ-OH)-Fe(III)MST]","","- C40 H62 Co F3 Fe N6 O10 S4 -","- C40 H62 Co F3 Fe N6 O10 S4 -","- C320 H496 Co8 F24 Fe8 N48 O80 S32 -","8","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.06","0.0396","","","0.0899","0.0974","","","","","","1.032","","","","has coordinates","229936","2020-10-21","18:00:00",""
"7047205","9.0701","0.0008","17.9865","0.0015","18.8049","0.0016","107.856","0.0011","94.8064","0.0012","97.9985","0.001","2865.5","0.4","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","[(en)2Fe(II)-(μ-OH)-Fe(III)MST]OTf","","- C46 H78 Cl2 F3 Fe2 N8 O10 S4 -","- C46 H77 Cl2 F3 Fe2 N8 O10 S4 -","- C92 H154 Cl4 F6 Fe4 N16 O20 S8 -","2","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0606","0.0474","","","0.1229","0.1326","","","","","","1.029","","","","has coordinates","229936","2020-10-21","18:00:00",""
"7047206","21.816","0.0018","13.1714","0.0011","17.6057","0.0014","90","","107.535","0.001","90","","4823.9","0.7","88","2","88","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[(TMEDA)Ni(II)(Br)-(μ-OH)-Fe(III)MST]","","- C40 H64 Br Cl2 Fe N6 Ni O7 S3 -","- C40 H64 Br Cl2 Fe N6 Ni O7 S3 -","- C160 H256 Br4 Cl8 Fe4 N24 Ni4 O28 S12 -","4","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0375","0.0307","","","0.0799","0.0833","","","","","","1.036","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047207","34.669","0.003","34.669","0.003","20.8648","0.0016","90","","90","","120","","21718","3","88","2","88","2","","","","","","","","6","R -3 :H","-R 3","148","","[(TMEDA)Fe(II)(NCS)-(μ-OH)-Fe(III)MST]","","- C40 H62 Fe2 N7 O7 S4 -","- C40 H62 Fe2 N7 O7 S4 -","- C720 H1116 Fe36 N126 O126 S72 -","18","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0379","0.029","","","0.074","0.0781","","","","","","1.041","","","","has coordinates,has disorder","229936","2020-10-21","18:00:00",""
"7047208","39.226","0.003","16.9526","0.0013","18.8719","0.0014","90","","110.887","0.0009","90","","11724.8","1.5","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[(TMEDA)Fe(II)(OTf)-(μ-OH)-Fe(III)MST]","","- C40 H62 F3 Fe2 N6 O10 S4 -","- C40 H62 F3 Fe2 N6 O10 S4 -","- C320 H496 F24 Fe16 N48 O80 S32 -","8","1","","Lau, Nathanael; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Modular bimetallic complexes with a sulfonamido-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12362","12372","10.1039/c8dt02455c","","","0.71073","MoKα","","0.0761","0.0459","","","0.115","0.1302","","","","","","1.025","","","","has coordinates","229936","2020-10-21","18:00:00",""
"7047209","6.205","0.003","17.811","0.009","12.643","0.006","90","","96.512","0.006","90","","1388.3","1.2","110","","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H26 Sb2 -","- C36 H26 Sb2 -","- C72 H52 Sb4 -","2","1","","Chen, Chang-Hong; Gabbaï, François P","Coordination of a stibine oxide to a Lewis acidic stiborane at the upper rim of the biphenylene backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12075","12078","10.1039/c8dt02872a","","","0.71073","MoKα","","0.0511","0.0433","","","0.0946","0.0986","","","","","","0.997","","","","has coordinates","229948","2020-10-21","18:00:00",""
"7047210","16.192","0.002","17.205","0.003","16.316","0.002","90","","90.4177","0.0019","90","","4545.2","1.1","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.43 H27.43 Cl8.3 O3 Sb2 -","- C43.431 H27.431 Cl8.293 O3 Sb2 -","- C173.724 H109.724 Cl33.172 O12 Sb8 -","4","1","","Chen, Chang-Hong; Gabbaï, François P","Coordination of a stibine oxide to a Lewis acidic stiborane at the upper rim of the biphenylene backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12075","12078","10.1039/c8dt02872a","","","0.71073","MoKα","","0.067","0.0543","","","0.1514","0.1637","","","","","","1.064","","","","has coordinates,has disorder","229948","2020-10-21","18:00:00",""
"7047211","27.939","0.0017","27.838","0.0016","23.6342","0.0013","90","","101.089","0.004","90","","18038.7","1.8","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C91 H108 Al2 N4 O4 -","- C91 H108 Al2 N4 O4 -","- C728 H864 Al16 N32 O32 -","8","2","","Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel","Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13800","13808","10.1039/c8dt02614a","","","1.54178","CuKα","","0.2097","0.1809","","","0.4239","0.4421","","","","","","1.503","","","","has coordinates","229499","2020-10-21","18:00:00",""
"7047212","20.4001","0.0017","23.3701","0.0018","16.1214","0.0013","90","","90","","90","","7685.9","1.1","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C80 H92 Al2 N4 O6 -","- C80 H92 Al2 N4 O6 -","- C320 H368 Al8 N16 O24 -","4","0.5","","Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel","Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13800","13808","10.1039/c8dt02614a","","","0.71073","MoKα","","0.1176","0.0742","","","0.1465","0.1653","","","","","","1.074","","","","has coordinates,has disorder","229499","2020-10-21","18:00:00",""
"7047213","11.9047","0.0006","28.1828","0.0015","11.4507","0.0006","90","","95.953","0.001","90","","3821.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Al N3 O -","- C40 H50 Al N3 O -","- C160 H200 Al4 N12 O4 -","4","1","","Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel","Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13800","13808","10.1039/c8dt02614a","","","0.71073","MoKα","","0.0792","0.0578","","","0.1251","0.1329","","","","","","1.085","","","","has coordinates","229499","2020-10-21","18:00:00",""
"7047214","9.088","0.005","24.031","0.013","15.593","0.009","90","","95.02","0.03","90","","3392","3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 N2 Pt S2 -","- C35 H48 N2 Pt S2 -","- C140 H192 N8 Pt4 S8 -","4","1","","Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ricciardi, Loredana; La Deda, Massimo; Crispini, Alessandra; Sicilia, Emilia; Ghedini, Mauro","Anionic cyclometalated Pt(ii) and Pt(iv) complexes respectively bearing one or two 1,2-benzenedithiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11645","11657","10.1039/c8dt02444h","","","0.71073","MoKα","","0.0689","0.0371","","","0.0773","0.091","","","","","","1.016","","","","has coordinates","229418","2020-10-21","18:00:00",""
"7047215","10.456","0.006","22.287","0.013","18.723","0.011","90","","102.58","0.03","90","","4258","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 N2 Pt S4 -","- C41 H52 N2 Pt S4 -","- C164 H208 N8 Pt4 S16 -","4","1","","Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ricciardi, Loredana; La Deda, Massimo; Crispini, Alessandra; Sicilia, Emilia; Ghedini, Mauro","Anionic cyclometalated Pt(ii) and Pt(iv) complexes respectively bearing one or two 1,2-benzenedithiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11645","11657","10.1039/c8dt02444h","","","0.71073","MoKα","","0.0853","0.0517","","","0.0916","0.0982","","","","","","1.117","","","","has coordinates,has disorder","229418","2020-10-21","18:00:00",""
"7047216","25.7295","0.0018","20.4448","0.0018","20.9078","0.0015","90","","107.05","0.005","90","","10514.8","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29.6 Ca2 Cu3 N9 O24.3 -","- C25 H29.6 Ca2 Cu3 N9 O24.3 -","- C200 H236.8 Ca16 Cu24 N72 O194.4 -","8","1","","Fernandes, Tamires S.; Melo, Wanessa D. C.; Kalinke, Lucas H. G.; Rabelo, Renato; Valdo, Ana K.; da Silva, Cameron C.; Martins, Felipe T.; Amorós, Pedro; Lloret, Francesc; Julve, Miguel; Cangussu, Danielle","2D and 3D mixed M<sup>II</sup>/Cu<sup>II</sup> metal-organic frameworks (M = Ca and Sr) with N,N'-2,6-pyridinebis(oxamate) and oxalate: preparation and magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11539","11553","10.1039/c8dt01686k","","","0.71073","MoKα","","0.0914","0.0577","","","0.173","0.1963","","","","","","1.005","","","","has coordinates","229414","2020-10-21","18:00:00",""
"7047217","6.2603","0.0001","13.1593","0.0003","24.1169","0.0006","79.244","0.002","87.288","0.001","77.027","0.001","1902.02","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H69 Cu4 N12 O56.5 Sr4.5 -","- C38 H69 Cu4 N12 O56.5 Sr4.5 -","- C38 H69 Cu4 N12 O56.5 Sr4.5 -","1","0.5","","Fernandes, Tamires S.; Melo, Wanessa D. C.; Kalinke, Lucas H. G.; Rabelo, Renato; Valdo, Ana K.; da Silva, Cameron C.; Martins, Felipe T.; Amorós, Pedro; Lloret, Francesc; Julve, Miguel; Cangussu, Danielle","2D and 3D mixed M<sup>II</sup>/Cu<sup>II</sup> metal-organic frameworks (M = Ca and Sr) with N,N'-2,6-pyridinebis(oxamate) and oxalate: preparation and magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11539","11553","10.1039/c8dt01686k","","","0.71073","MoKα","","0.0509","0.0423","","","0.1169","0.1216","","","","","","1.094","","","","has coordinates,has disorder","229414","2020-10-21","18:00:00",""
"7047218","26.228","0.0015","20.5339","0.0013","21.4349","0.0013","90","","106.657","0.004","90","","11059.6","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H118 Cu12 N36 O97 Sr8 -","- C100 H118 Cu12 N36 O97 Sr8 -","- C200 H236 Cu24 N72 O194 Sr16 -","2","0.25","","Fernandes, Tamires S.; Melo, Wanessa D. C.; Kalinke, Lucas H. G.; Rabelo, Renato; Valdo, Ana K.; da Silva, Cameron C.; Martins, Felipe T.; Amorós, Pedro; Lloret, Francesc; Julve, Miguel; Cangussu, Danielle","2D and 3D mixed M<sup>II</sup>/Cu<sup>II</sup> metal-organic frameworks (M = Ca and Sr) with N,N'-2,6-pyridinebis(oxamate) and oxalate: preparation and magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11539","11553","10.1039/c8dt01686k","","","0.71073","MoKα","","0.1309","0.0609","","","0.1527","0.1817","","","","","","1.005","","","","has coordinates","229414","2020-10-21","18:00:00",""
"7047219","9.763","0.002","14.505","0.003","16.773","0.004","90","","97.29","0.004","90","","2356.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl N2 Pd -","- C29 H29 Cl N2 Pd -","- C116 H116 Cl4 N8 Pd4 -","4","1","","Simayi, Rena; Gillbard, Simone M.; Cross, Warren B.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Ligand and solvent control of selectivity in the C-H activation of a pyridylimine-substituted 1-naphthalene; a combined synthetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11680","11690","10.1039/c8dt02565g","","","0.71073","MoKα","","0.0457","0.0354","","","0.0724","0.0758","","","","","","0.996","","","","has coordinates","229422","2020-10-21","18:00:00",""
"7047220","8.8725","0.0012","12.8984","0.0018","15.781","0.002","88.721","0.003","77.111","0.003","76.355","0.003","1709.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cl8 N2 Pd -","- C31 H32 Cl8 N2 Pd -","- C62 H64 Cl16 N4 Pd2 -","2","1","","Simayi, Rena; Gillbard, Simone M.; Cross, Warren B.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Ligand and solvent control of selectivity in the C-H activation of a pyridylimine-substituted 1-naphthalene; a combined synthetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11680","11690","10.1039/c8dt02565g","","","0.71073","MoKα","","0.148","0.0769","","","0.1323","0.1514","","","","","","0.835","","","","has coordinates","229422","2020-10-21","18:00:00",""
"7047221","10.3807","0.0019","14.917","0.003","15.894","0.003","90","","100.696","0.004","90","","2418.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl N2 Pd -","- C29 H29 Cl N2 Pd -","- C116 H116 Cl4 N8 Pd4 -","4","1","","Simayi, Rena; Gillbard, Simone M.; Cross, Warren B.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Ligand and solvent control of selectivity in the C-H activation of a pyridylimine-substituted 1-naphthalene; a combined synthetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11680","11690","10.1039/c8dt02565g","","","0.71073","MoKα","","0.1353","0.0608","","","0.0808","0.0965","","","","","","0.78","","","","has coordinates","229422","2020-10-21","18:00:00",""
"7047222","10.06","0.002","11.775","0.002","23.032","0.005","90","","90.37","0.03","90","","2728.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl4 N2 Pd -","- C28 H28 Cl2 N2 Pd -","- C112 H112 Cl8 N8 Pd4 -","4","1","","Simayi, Rena; Gillbard, Simone M.; Cross, Warren B.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Ligand and solvent control of selectivity in the C-H activation of a pyridylimine-substituted 1-naphthalene; a combined synthetic and computational study.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11680","11690","10.1039/c8dt02565g","","","0.71073","MoKα","","0.1777","0.0676","","","0.1102","0.1278","","","","","","0.715","","","","has coordinates","229422","2020-10-21","18:00:00",""
"7047223","9.6038","0.0003","13.3765","0.0003","16.9285","0.0004","97.9385","0.0014","92.729","0.0015","102.033","0.0015","2099.99","0.1","100.04","","100.04","","","","","","","","","4","P -1","-P 1","2","","","","- C43.5 H60 N4 P4 -","- C43.5 H59.9227 N4 P4 -","- C87 H119.845 N8 P8 -","2","1","","Otang, Mathew E.; Josephson, David; Duppong, Todd; Stahl, Lothar","The chameleonic reactivity of dilithio bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11625","11635","10.1039/c8dt02087f","","","0.71073","MoKα","","0.0671","0.0483","","","0.1067","0.1202","","","","","","1.053","","","","has coordinates,has disorder","229426","2020-10-21","18:00:00",""
"7047224","16.94","0.0003","9.8845","0.0002","24.8587","0.0005","90","","105.267","0.001","90","","4015.53","0.14","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H56 N4 P4 -","- C40 H55.8204 N4 P4 -","- C160 H223.282 N16 P16 -","4","0.5","","Otang, Mathew E.; Josephson, David; Duppong, Todd; Stahl, Lothar","The chameleonic reactivity of dilithio bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11625","11635","10.1039/c8dt02087f","","","0.71073","MoKα","","0.0651","0.0569","","","0.1385","0.1443","","","","","","1.087","","","","has coordinates,has disorder","229426","2020-10-21","18:00:00",""
"7047225","10.4625","0.0005","18.1969","0.0008","16.2454","0.0007","90","","107.372","0.002","90","","2951.8","0.2","173","2","173.21","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl4 N4 P2 Si2 -","- C18 H42 Cl4 N4 P2 Si2 -","- C72 H168 Cl16 N16 P8 Si8 -","4","1","","Otang, Mathew E.; Josephson, David; Duppong, Todd; Stahl, Lothar","The chameleonic reactivity of dilithio bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11625","11635","10.1039/c8dt02087f","","","0.71073","MoKα","","0.043","0.0309","","","0.0778","0.0848","","","","","","1.045","","","","has coordinates","229426","2020-10-21","18:00:00",""
"7047226","14.4427","0.0005","12.4838","0.0004","16.5416","0.0005","90","","98.8663","0.0012","90","","2946.81","0.17","100","2","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Cl2 N2 P2 -","- C10 H20 Cl2 N2 P2 -","- C80 H160 Cl16 N16 P16 -","8","1","","Otang, Mathew E.; Josephson, David; Duppong, Todd; Stahl, Lothar","The chameleonic reactivity of dilithio bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11625","11635","10.1039/c8dt02087f","","","0.71073","MoKα","","0.0324","0.0268","","","0.073","0.0773","","","","","","1.05","","","","has coordinates","229426","2020-10-21","18:00:00",""
"7047227","18.8882","0.0006","10.0899","0.0003","19.7056","0.0006","90","","118.019","0.0009","90","","3315.32","0.18","100","2","99.94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54.05 Li2 N4 O2 P2 -","- C28 H54.456 Li2 N4 O2 P2 -","- C112 H217.824 Li8 N16 O8 P8 -","4","1","","Otang, Mathew E.; Josephson, David; Duppong, Todd; Stahl, Lothar","The chameleonic reactivity of dilithio bis(alkylamido)cyclodiphosph(iii)azanes with chlorophosphines.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11625","11635","10.1039/c8dt02087f","","","0.71073","MoKα","","0.0623","0.049","","","0.1279","0.1392","","","","","","1.026","","","","has coordinates,has disorder","229426","2020-10-21","18:00:00",""
"7047228","13.279","0.003","26.614","0.005","27.049","0.005","119.285","0.003","98.012","0.004","95.078","0.004","8119","3","77","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H86 Ge N6 O27 Rh12 -","- C63 H86 Ge N6 O27 Rh12 -","- C252 H344 Ge4 N24 O108 Rh48 -","4","2","","Boccalini, Alberto; Dyson, Paul; Femoni, Cristina; Iapalucci, Maria Carmela; Ruggieri, Silvia; Zacchini, Stefano","Insertion of germanium atoms in high-nuclearity rhodium carbonyl compounds: synthesis, characterization and preliminary biological activity of the heterometallic [Rh13Ge(CO)25]3-, [Rh14Ge2(CO)30]2- and [Rh12Ge(CO)27]4- cluster anions.","Dalton Transactions","2018","","","","","10.1039/C8DT02466A","","","0.71073","MoKα","","0.0784","0.0726","","","0.2044","0.2114","","","","","","1.088","","","","has coordinates,has disorder","209491","2020-10-21","18:00:00",""
"7047229","11.4246","0.0004","11.5375","0.0004","13.4617","0.0005","112.059","0.002","98.082","0.002","94.045","0.003","1613.4","0.1","77","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Ge2 N2 O30 Rh14 -","- C46 H40 Ge2 N2 O30 Rh14 -","- C46 H40 Ge2 N2 O30 Rh14 -","1","0.5","","Boccalini, Alberto; Dyson, Paul; Femoni, Cristina; Iapalucci, Maria Carmela; Ruggieri, Silvia; Zacchini, Stefano","Insertion of germanium atoms in high-nuclearity rhodium carbonyl compounds: synthesis, characterization and preliminary biological activity of the heterometallic [Rh13Ge(CO)25]3-, [Rh14Ge2(CO)30]2- and [Rh12Ge(CO)27]4- cluster anions.","Dalton Transactions","2018","","","","","10.1039/C8DT02466A","","","0.71073","MoKα","","0.1165","0.055","","","0.1143","0.1445","","","","","","0.99","","","","has coordinates","209491","2020-10-21","18:00:00",""
"7047230","18.5028","0.0006","18.5028","0.0006","22.8486","0.0011","90","","90","","90","","7822.3","0.5","77","2","100","2","","","","","","","","7","P 4/n c c","-P 4a 2ac","130","","","","- C57 H80 Br Ge N4 O25 Rh13 -","- C57 H80 Br Ge N4 O25 Rh13 -","- C228 H320 Br4 Ge4 N16 O100 Rh52 -","4","","","Boccalini, Alberto; Dyson, Paul; Femoni, Cristina; Iapalucci, Maria Carmela; Ruggieri, Silvia; Zacchini, Stefano","Insertion of germanium atoms in high-nuclearity rhodium carbonyl compounds: synthesis, characterization and preliminary biological activity of the heterometallic [Rh13Ge(CO)25]3-, [Rh14Ge2(CO)30]2- and [Rh12Ge(CO)27]4- cluster anions.","Dalton Transactions","2018","","","","","10.1039/C8DT02466A","","","0.71073","MoKα","","0.0627","0.0482","","","0.0982","0.1035","","","","","","1.146","","","","has coordinates,has disorder","209491","2020-10-21","18:00:00",""
"7047231","23.433","0.003","23.433","0.003","15.332","0.005","90","","90","","120","","7291","3","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","Tris[5-(4-allyloxytetrafluorophenyl)diprrin]indium(III)","","- C54 H33 F12 In N6 O3 -","- C54 H33 F12 In N6 O3 -","- C324 H198 F72 In6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","0.71073","MoKα","","0.0533","0.0308","","","0.0591","0.0656","","","","","","1.027","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047232","10.5034","0.0008","13.5594","0.0011","28.179","0.002","90","","93.728","0.001","90","","4004.8","0.5","100","2","100.04","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris[5-(pentafluorophenyl)dipyrrin]indium(III)","","- C45 H18 F15 In N6 -","- C45 H18 F15 In N6 -","- C180 H72 F60 In4 N24 -","4","1","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","0.71073","MoKα","","0.022","0.0204","","","0.046","0.0469","","","","","","1.092","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047233","24.002","0.0011","24.002","0.0011","15.1852","0.0009","90","","90","","120","","7576.1","0.7","100","2","100.01","","","","","","","","","6","R -3","-R 3","148","","{Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-iron(III)","","- C57 H45 F12 Fe N6 O3 -","- C57 H45 F12 Fe N6 O3 -","- C342 H270 F72 Fe6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","1.54178","CuKα","","0.0739","0.0605","","","0.1562","0.1686","","","","","","1.056","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047234","25.765","0.0008","8.8371","0.0003","35.7783","0.0011","90","","90","","90","","8146.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Tris[5-(pentafluorophenyl)dipyrrin]gallium(III)","","- C45 H18 F15 Ga N6 -","- C45 H18 F15 Ga N6 -","- C360 H144 F120 Ga8 N48 -","8","1","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","1.54178","CuKα","","0.0679","0.0477","","","0.1127","0.1234","","","","","","1.044","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047235","24.0883","0.001","24.0883","0.001","15.2527","0.0007","90","","90","","120","","7664.6","0.6","100","2","100","2","","","","","","","","6","R -3","-R 3","148","","{Tris[5-(4-butyloxytetrafluorophenyl)dipyrrin]}-gallium(III)","","- C57 H45 F12 Ga N6 O3 -","- C57 H45 F12 Ga N6 O3 -","- C342 H270 F72 Ga6 N36 O18 -","6","","","Wiehe, Arno; Gutsche, Claudia Simone; Gräfe, Susanna; Gitter, Burkhard; Flanagan, Keith; Senge, Mathias; Kulak, Nora","Pre-/Post-functionalization in Dipyrrin Metal Complexes ‒ Antitumor and Antibacterial Activity of their Glycosylated Derivatives","Dalton Transactions","2018","","","","","10.1039/C8DT03059F","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.071","0.0778","","","","","","1.046","","","","has coordinates","209492","2020-10-21","18:00:00",""
"7047236","11.3469","0.0008","13.3777","0.001","18.6857","0.0017","94.855","0.007","104.522","0.007","109.539","0.007","2543.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H27 Cl3 Dy F9 N2 O6 -","- C42 H27 Cl3 Dy F9 N2 O6 -","- C84 H54 Cl6 Dy2 F18 N4 O12 -","2","1","","Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Zhang, Gaini; Yang, Desuo; Lü, Xingqiang; Chen, Sanping","The slow magnetic relaxation regulated by the coordination, configuration and intermolecular dipolar field in two mononuclear Dy<sup>III</sup> single-molecule magnets (SMMs).","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12393","12405","10.1039/c8dt02361a","","","1.54184","CuKα","","0.1077","0.0669","","","0.1588","0.1997","","","","","","0.879","","","","has coordinates","229943","2020-10-21","18:00:00",""
"7047237","22.8133","0.0014","17.1518","0.0017","13.2046","0.0009","90","","98.3","0.007","90","","5112.7","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H31 Cl3 Dy F9 N2 O6 -","- C54 H31 Cl3 Dy F9 N2 O6 -","- C216 H124 Cl12 Dy4 F36 N8 O24 -","4","1","","Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Zhang, Gaini; Yang, Desuo; Lü, Xingqiang; Chen, Sanping","The slow magnetic relaxation regulated by the coordination, configuration and intermolecular dipolar field in two mononuclear Dy<sup>III</sup> single-molecule magnets (SMMs).","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12393","12405","10.1039/c8dt02361a","","","1.54184","CuKα","","0.1428","0.0685","","","0.137","0.1756","","","","","","0.976","","","","has coordinates","229943","2020-10-21","18:00:00",""
"7047238","6.3974","0.0005","13.7521","0.0013","22.3408","0.0019","90","","96.473","0.002","90","","1953","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Co3 N4 O16 -","- C36 H44 Co3 N4 O16 -","- C72 H88 Co6 N8 O32 -","2","0.5","","Xie, Ming-Hua; Wang, Ya; Li, Ruo-Fei; Dong, Peng-Yu; Hou, Gui-Hua; Shao, Rong; Xi, Xin-Guo; Guan, Rong-Feng; Yang, Xiu-Li","A multifunctional Co-based metal-organic framework: heterogeneous catalysis, chemiluminescence sensing and moisture-dependent solvatochromism.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12406","12413","10.1039/c8dt02625d","","","1.54178","CuKα","","0.142","0.0996","","","0.2436","0.2773","","","","","","1.05","","","","has coordinates,has disorder","229940","2020-10-21","18:00:00",""
"7047239","10.8956","0.0006","7.8377","0.0003","22.4994","0.0012","90","","94.033","0.005","90","","1916.61","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Ag4 I5 N O2 -","- C6 H6 Ag4 I5 N O2 -","- C24 H24 Ag16 I20 N4 O8 -","4","1","","Yu, Tan-Lai; Wu, Guo-Xing; Xue, Mei; Wang, Zhong-Hui; Fu, Yun-Long","Five monocyclic pyridinium derivative based halo-argentate/cuprate hybrids or iodide salts: influence of composition on photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12172","12180","10.1039/c8dt02574f","","","0.71073","MoKα","","0.0624","0.0425","","","0.0881","0.0987","","","","","","1.06","","","","has coordinates","229952","2020-10-21","18:00:00",""
"7047240","7.0005","0.0005","13.1561","0.0009","16.22","0.0016","90","","98.071","0.007","90","","1479.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ag2 Br3 N O2 -","- C8 H10 Ag2 Br3 N O2 -","- C32 H40 Ag8 Br12 N4 O8 -","4","1","","Yu, Tan-Lai; Wu, Guo-Xing; Xue, Mei; Wang, Zhong-Hui; Fu, Yun-Long","Five monocyclic pyridinium derivative based halo-argentate/cuprate hybrids or iodide salts: influence of composition on photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12172","12180","10.1039/c8dt02574f","","","0.71073","MoKα","","0.1337","0.0888","","","0.2391","0.2888","","","","","","1.051","","","","has coordinates","229952","2020-10-21","18:00:00",""
"7047241","5.0161","0.0003","23.0293","0.001","7.3561","0.0004","90","","106.988","0.006","90","","812.68","0.08","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I N2 O -","- C6 H7 I N2 O -","- C24 H28 I4 N8 O4 -","4","1","","Yu, Tan-Lai; Wu, Guo-Xing; Xue, Mei; Wang, Zhong-Hui; Fu, Yun-Long","Five monocyclic pyridinium derivative based halo-argentate/cuprate hybrids or iodide salts: influence of composition on photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12172","12180","10.1039/c8dt02574f","","x-ray","1.54184","CuKα","","0.0873","0.0802","","","0.2036","0.2189","","","","","","1.065","","","","has coordinates","229952","2020-10-21","18:00:00",""
"7047242","8.1904","0.0005","8.7889","0.0004","11.1579","0.0007","88.267","0.005","72.106","0.006","79.055","0.005","750.1","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cu2 I3 N O2 -","- C8 H10 Cu2 I3 N O2 -","- C16 H20 Cu4 I6 N2 O4 -","2","1","","Yu, Tan-Lai; Wu, Guo-Xing; Xue, Mei; Wang, Zhong-Hui; Fu, Yun-Long","Five monocyclic pyridinium derivative based halo-argentate/cuprate hybrids or iodide salts: influence of composition on photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12172","12180","10.1039/c8dt02574f","","","0.71073","MoKα","","0.0625","0.0445","","","0.0912","0.1023","","","","","","1.056","","","","has coordinates","229952","2020-10-21","18:00:00",""
"7047243","8.0528","0.0005","7.3721","0.0005","17.0288","0.0011","90","","96.288","0.006","90","","1004.85","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 I2 N2 O -","- C6 H7 I2 N2 O -","- C24 H28 I8 N8 O4 -","4","1","","Yu, Tan-Lai; Wu, Guo-Xing; Xue, Mei; Wang, Zhong-Hui; Fu, Yun-Long","Five monocyclic pyridinium derivative based halo-argentate/cuprate hybrids or iodide salts: influence of composition on photochromic behaviors.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12172","12180","10.1039/c8dt02574f","","","1.54184","CuKα","","0.0776","0.074","","","0.1853","0.194","","","","","","1.082","","","","has coordinates","229952","2020-10-21","18:00:00",""
"7047244","7.1272","0.0001","13.1027","0.0002","13.4944","0.0002","118.878","0.001","98.466","0.0001","90.718","0.001","1086.35","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 B2 Cl2 P2 -","- C16 H32 B2 Cl2 P2 -","- C32 H64 B4 Cl4 P4 -","2","1","","Debnath, Suman; Venegas, Gabriel; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis and coordination chemistry of new asymmetric donor/acceptor pincer ligands, 1,3-C<sub>6</sub>H<sub>4</sub>(CH<sub>2</sub>P<sup>t</sup>Bu(R<sub>f</sub>))<sub>2</sub> (R<sub>f</sub> = CF<sub>3</sub>, C<sub>2</sub>F<sub>5</sub>).","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12420","12430","10.1039/c8dt02738b","","","0.71073","MoKα","","0.0814","0.0639","","","0.1734","0.1886","","","","","","1.034","","","","has coordinates","229945","2020-10-21","18:00:00",""
"7047245","8.2791","0.001","17.797","0.003","19.674","0.003","93.137","0.005","91.946","0.008","94.953","0.01","2881.5","0.7","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H38 F24 N12 P4 Ru -","- C50 H38 F24 N12 P4 Ru -","- C100 H76 F48 N24 P8 Ru2 -","2","1","","Derrat, Hanan S.; Robertson, Craig C.; Meijer, Anthony J. H. M.; Thomas, Jim A.","Turning intercalators into groove binders: synthesis, photophysics and DNA binding properties of tetracationic mononuclear ruthenium(ii)-based chromophore-quencher complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12300","12307","10.1039/c8dt02633e","","","0.71073","MoKα","","0.294","0.1518","","","0.2633","0.3455","","","","","","1.099","","","","has coordinates","229939","2020-10-21","18:00:00",""
"7047246","12.7763","0.0019","13.497","0.002","14.717","0.002","63.354","0.004","86.818","0.005","83.617","0.005","2254.2","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H102 B2 Cl4 N2 O6 Os2 P4 -","- C102 H102 B2 Cl4 N2 O6 Os2 P4 -","- C102 H102 B2 Cl4 N2 O6 Os2 P4 -","1","0.5","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Ganz, Verena; Sibilla, Francesca","Preparation and reactivity of half-sandwich organic azide complexes of osmium.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11658","11668","10.1039/c8dt02230e","","","0.71073","MoKα","","0.0364","0.0326","","","0.0849","0.0867","","","","","","1.094","","","","has coordinates","229424","2020-10-21","18:00:00",""
"7047247","9.0394","0.0012","14.364","0.002","20.975","0.003","82.269","0.004","78.279","0.005","86.97","0.003","2641.5","0.6","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 B2 Co F8 N6 O6 -","- C56 H50 B2 Co F8 N6 O6 -","- C112 H100 B4 Co2 F16 N12 O12 -","2","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.1671","0.1148","","","0.281","0.3221","","","","","","1.042","","","","has coordinates","229512","2020-10-21","18:00:00",""
"7047248","16.515","0.01","9.411","0.005","30.737","0.018","90","","92.621","0.014","90","","4772","5","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 B2 Co F8 N6 O4 -","- C54 H42 B2 Co F8 N6 O4 -","- C216 H168 B8 Co4 F32 N24 O16 -","4","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.1816","0.1289","","","0.1586","0.181","","","","","","1.219","","","","has coordinates","229512","2020-10-21","18:00:00",""
"7047249","16.379","0.008","9.513","0.005","31.272","0.015","90","","92.546","0.013","90","","4868","4","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 B2 Co F8 N6 O4 -","- C54 H42 B2 Co F8 N6 O4 -","- C216 H168 B8 Co4 F32 N24 O16 -","4","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.1402","0.0869","","","0.1469","0.1723","","","","","","1.096","","","","has coordinates","229512","2020-10-21","18:00:00",""
"7047250","8.923","0.0006","14.225","0.0008","20.5165","0.0011","82.411","0.004","79.044","0.005","87.21","0.005","2533.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 B2 Co F8 N6 O6 -","- C56 H50 B2 Co F8 N6 O6 -","- C112 H100 B4 Co2 F16 N12 O12 -","2","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.0841","0.0638","","","0.1735","0.1925","","","","","","1.048","","","","has coordinates,has disorder","229512","2020-10-21","18:00:00",""
"7047251","21.7754","0.0017","12.0778","0.0008","20.9907","0.0019","90","","110.132","0.009","90","","5183.2","0.8","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H48 B2 Co F8 N6 O2.5 -","- C60.5 H48 B2 Co F8 N6 O2.5 -","- C242 H192 B8 Co4 F32 N24 O10 -","4","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.0788","0.0502","","","0.1354","0.16","","","","","","0.936","","","","has coordinates,has disorder","229512","2020-10-21","18:00:00",""
"7047252","18.6675","0.0007","13.1102","0.0005","20.7558","0.0009","90","","94.0428","0.0013","90","","5067","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 B2 Cl6 Co F8 N6 -","- C52 H36 B2 Cl6 Co F8 N6 -","- C208 H144 B8 Cl24 Co4 F32 N24 -","4","1","","Nakaya, Manabu; Ohtani, Ryo; Shin, Jong Won; Nakamura, Masaaki; Lindoy, Leonard F.; Hayami, Shinya","Abrupt spin transition in a modified-terpyridine cobalt(ii) complex with a highly-distorted [CoN<sub>6</sub>] core.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13809","13814","10.1039/c8dt02367k","","","0.71075","MoKα","","0.1178","0.0967","","","0.1688","0.1757","","","","","","1.131","","","","has coordinates","229512","2020-10-21","18:00:00",""
"7047253","15.5689","0.0003","12.6052","0.0002","18.8201","0.0003","90","","101.206","0.002","90","","3623.01","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl4 Mn O4 P2 -","- C38 H33 Cl4 Mn O4 P2 -","- C152 H132 Cl16 Mn4 O16 P8 -","4","1","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","0.71073","MoKα","","0.0448","0.0402","","","0.104","0.1066","","","","","","1.065","","","","has coordinates","229919","2020-10-21","18:00:00",""
"7047254","28.1073","0.0002","15.5211","0.0001","43.2805","0.0003","90","","95.97","0.001","90","","18779","0.2","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C198 H222 F6 Mn4 O35 P8 S2 -","- C198 H222 F6 Mn4 O35 P8 S2 -","- C792 H888 F24 Mn16 O140 P32 S8 -","4","0.5","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","1.54184","CuKα","","0.0626","0.0591","","","0.1744","0.1776","","","","","","1.056","","","","has coordinates,has disorder","229919","2020-10-21","18:00:00",""
"7047255","34.6154","0.0003","26.4417","0.0002","10.0757","0.0001","90","","90","","90","","9222.19","0.14","100","0.1","100","0.1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C86 H68 Br4 Mn4 O19 P4 -","- C86 H68 Br4 Mn4 O19 P4 -","- C344 H272 Br16 Mn16 O76 P16 -","4","0.5","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","1.54184","CuKα","","0.0477","0.0434","","","0.1176","0.1204","","","","","","1.065","","","","has coordinates,has disorder","229919","2020-10-21","18:00:00",""
"7047256","26.0462","0.0005","14.1147","0.0002","25.448","0.0005","90","","114.095","0.002","90","","8540.4","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H106 Mn2 O14 P4 -","- C96 H106 Mn2 O14 P4 -","- C384 H424 Mn8 O56 P16 -","4","0.5","","Kadassery, Karthika J.; MacMillan, Samantha N.; Lacy, David C.","Bisphosphine phenol and phenolate complexes of Mn(i): manganese(i) catalyzed Tishchenko reaction.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12652","12655","10.1039/c8dt02933d","","x-ray","0.71073","MoKα","","0.0465","0.0409","","","0.114","0.1186","","","","","","1.033","","","","has coordinates,has disorder","229919","2020-10-21","18:00:00",""
"7047257","18.4908","0.0005","18.4908","0.0005","23.7857","0.0013","90","","90","","120","","7043","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H15 Cu2 N3 O10 -","- C21 H15 Cu2 N3 O10 -","- C126 H90 Cu12 N18 O60 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.1233","0.0802","","","0.2936","0.317","","","","","","1.096","","","","has coordinates","229924","2020-10-21","18:00:00",""
"7047258","18.6741","0.0002","18.6741","0.0002","23.6008","0.0003","90","","90","","120","","7127.49","0.14","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O12 -","- C23 H17 Cu2 N O12 -","- C138 H102 Cu12 N6 O72 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.061","0.0574","","","0.1999","0.2026","","","","","","1.689","","","","has coordinates","229924","2020-10-21","18:00:00",""
"7047259","18.5415","0.0002","18.5415","0.0002","23.429","0.0005","90","","90","","120","","6975.48","0.18","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C23 H17 Cu2 N O10 -","- C23 H17 Cu2 N O10 -","- C138 H102 Cu12 N6 O60 -","6","0.25","","Wang, Yao; He, Minghui; Gao, Xiaoxia; Long, Piao; Zhang, Yingying; Zhong, Haoyan; Wang, Xia; He, Yabing","Three isoreticular ssa-type MOFs derived from bent diisophthalate ligands: exploring the substituent effect on structural stabilities and selective C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/CH<sub>4</sub> adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12702","12710","10.1039/c8dt02686f","","","0.71073","MoKα","","0.0573","0.0544","","","0.2173","0.2257","","","","","","1.042","","","","has coordinates","229924","2020-10-21","18:00:00",""
"7047260","10.7692","0.0002","15.7438","0.0005","19.8667","0.0004","83.048","0.002","88.15","0.002","74.609","0.002","3223.69","0.14","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H56 Al F36 Mg N2 O4 -","- C55 H56 Al F36 Mg N2 O4 -","- C110 H112 Al2 F72 Mg2 N4 O8 -","2","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.0724","0.0666","","","0.1912","0.1998","","","","","","1.026","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047261","20.9248","0.001","24.8726","0.001","12.2476","0.0006","90","","103.767","0.005","90","","6191.2","0.5","150.01","0.1","150.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C51 H47 Al Ca F36 N2 O4 -","- C51 H47 Al Ca F36 N2 O4 -","- C204 H188 Al4 Ca4 F144 N8 O16 -","4","0.5","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.1024","0.0764","","","0.2013","0.2255","","","","","","1.027","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047262","19.3502","0.0003","21.2981","0.0003","19.3981","0.0004","90","","102.027","0.0016","90","","7818.9","0.2","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H57 Al F44 Mg N2 O4 -","- C69 H57 Al F44 Mg N2 O4 -","- C276 H228 Al4 F176 Mg4 N8 O16 -","4","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","","0.71073","MoKα","","0.1373","0.0835","","","0.2148","0.2543","","","","","","1.049","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047263","12.7913","0.0003","15.0553","0.0003","20.0086","0.0004","73.743","0.002","72.551","0.002","88.127","0.002","3523.38","0.14","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H66 Al Ca F36 N2 O7.25 -","- C57 H64 Al Ca F36 N2 O7 -","- C114 H128 Al2 Ca2 F72 N4 O14 -","2","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.0475","0.0439","","","0.1196","0.1233","","","","","","1.016","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047264","27.1738","0.0004","16.4638","0.0002","28.114","0.0004","90","","103.064","0.002","90","","12252.2","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C102 H94 Al2 F72 Mg2 N4 O8 -","- C102 H94 Al2 F72 Mg2 N4 O8 -","- C408 H376 Al8 F288 Mg8 N16 O32 -","4","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.1327","0.0984","","","0.2891","0.3292","","","","","","1.239","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047265","13.5387","0.0002","35.7529","0.0006","16.0778","0.0003","90","","101.266","0.002","90","","7632.5","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Al F36 Mg N2 O4 P -","- C69 H68 Al F36 Mg N2 O4 P -","- C276 H272 Al4 F144 Mg4 N8 O16 P4 -","4","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.0878","0.0692","","","0.1857","0.2017","","","","","","1.034","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047266","10.8232","0.0003","18.2376","0.0006","19.4282","0.0004","98.276","0.002","93.426","0.002","100.177","0.002","3720.96","0.18","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C66.5 H60 Al F36 Mg N2 O4 P -","- C63 H56 Al F36 Mg N2 O4 P -","- C126 H112 Al2 F72 Mg2 N4 O8 P2 -","2","1","","Garcia, Lucia; Anker, Mathew D.; Mahon, Mary F.; Maron, Laurent; Hill, Michael S.","Coordination of arenes and phosphines by charge separated alkaline earth cations.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12684","12693","10.1039/c8dt03124j","","x-ray","1.54184","CuKα","","0.1027","0.0904","","","0.2642","0.278","","","","","","1.05","","","","has coordinates,has disorder","229912","2020-10-21","18:00:00",""
"7047267","7.11","0.0005","10.9172","0.0008","13.7599","0.001","82.193","0.006","87.05","0.006","72.875","0.006","1011.17","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H35 Cu N7 O6 -","- C50 H35 Cu N7 O6 -","- C50 H35 Cu N7 O6 -","1","0.5","","Li, Lei; Zhu, Shuang; Hao, Rui; Wang, Jia-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Amino group promoted photocatalytic hydrogen evolution activity observed in two copper(ii)-based layered complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12726","12733","10.1039/c8dt02803f","","x-ray","1.54184","CuKα","","0.2252","0.1637","","","0.3632","0.4191","","","","","","1.029","","","","has coordinates,has disorder","229915","2020-10-21","18:00:00",""
"7047268","7.0631","0.0004","10.9098","0.0007","13.8073","0.0008","82.556","0.005","89.225","0.005","73.069","0.006","1008.93","0.11","118.6","0.3","118.6","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Cu N6 O6 -","- C50 H34 Cu N6 O6 -","- C50 H34 Cu N6 O6 -","1","0.5","","Li, Lei; Zhu, Shuang; Hao, Rui; Wang, Jia-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Amino group promoted photocatalytic hydrogen evolution activity observed in two copper(ii)-based layered complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12726","12733","10.1039/c8dt02803f","","x-ray","0.71073","MoKα","","0.0635","0.0481","","","0.0989","0.1064","","","","","","1.045","","","","has coordinates","229915","2020-10-21","18:00:00",""
"7047269","23.106","0.003","11.6464","0.0014","18.61","0.002","90","","90","","90","","5008","1","298","2","298","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C19 H15 Er0.6 O12.5 Yb0.9 -","- C19 H10 Er0.6024 O12 Yb0.8976 -","- C152 H80 Er4.8192 O96 Yb7.1808 -","8","0.5","","Li, Mengxue; Gul, Salma; Tian, Dan; Zhou, Enlong; Wang, Yangbo; Han, Yingdong; Yin, Lisha; Huang, Ling","Erbium(iii)-based metal-organic frameworks with tunable upconversion emissions.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12868","12872","10.1039/c8dt02329h","","","0.71073","MoKα","","0.0918","0.0547","","","0.1316","0.1539","","","","","","0.992","","","","has coordinates,has disorder","229302","2020-10-21","18:00:00",""
"7047270","9.509","0.0005","8.405","0.0003","19.1014","0.0007","90","","95.17","0.004","90","","1520.43","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Eu N O8 -","- C15 H12 Eu N O8 -","- C60 H48 Eu4 N4 O32 -","4","1","","Liu, Yan; Ma, Jingjing; Xu, Cong; Yang, Yang; Xia, Minfang; Jiang, Huie; Liu, Weisheng","A water-stable lanthanide coordination polymer as a multiresponsive luminescent sensor for Fe<sup>3+</sup>, Cr(vi) and 4-nitrophenol.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13543","13549","10.1039/c8dt02202j","","x-ray","0.71073","MoKα","","0.0507","0.0381","","","0.0705","0.077","","","","","","1.09","","","","has coordinates","230019","2020-10-21","18:00:00",""
"7047271","7.7213","0.0008","16.7703","0.0018","9.1967","0.001","90","","110.326","0.004","90","","1116.7","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H39 N2 O2 P -","- C22 H39 N2 O2 P -","- C44 H78 N4 O4 P2 -","2","1","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.0596","0.0436","","","0.0929","0.1093","","","","","","1.066","","","","has coordinates","229923","2020-10-21","18:00:00",""
"7047272","11.9153","0.0011","13.8962","0.0011","22.195","0.002","90","","93.783","0.004","90","","3667","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 B F15 N2 O3 P -","- C34 H35 B F15 N2 O3 P -","- C136 H140 B4 F60 N8 O12 P4 -","4","1","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.0999","0.0486","","","0.1217","0.1682","","","","","","1.069","","","","has coordinates","229923","2020-10-21","18:00:00",""
"7047273","11.6815","0.0004","25.0825","0.0008","17.9044","0.0006","90","","106.974","0.002","90","","5017.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H45 B F15 N2 O4 P -","- C52 H45 B F15 N2 O4 P -","- C208 H180 B4 F60 N8 O16 P4 -","4","1","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.0691","0.0436","","","0.1258","0.1542","","","","","","1.111","","","","has coordinates,has disorder","229923","2020-10-21","18:00:00",""
"7047274","12.3226","0.0008","12.4212","0.0008","15.8884","0.0011","102.662","0.003","96.402","0.003","113.135","0.003","2128.4","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 B F15 N2 O2 P -","- C34 H33 B F15 N2 O2 P -","- C68 H66 B2 F30 N4 O4 P2 -","2","1","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.1361","0.0636","","","0.1589","0.1783","","","","","","0.973","","","","has coordinates","229923","2020-10-21","18:00:00",""
"7047275","10.661","0.004","13.155","0.005","14.357","0.006","77.71","0.02","89.3","0.03","87.78","0.02","1965.9","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 N2 O2 P -","- C22 H21 N2 O2 P -","- C88 H84 N8 O8 P4 -","4","2","","Schneider, Carolin; LaFortune, James H. W.; Melen, Rebecca L.; Stephan, Douglas W.","Lewis and Brønsted basicity of phosphine-diazomethane derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12742","12749","10.1039/c8dt02420k","","","0.71073","MoKα","","0.1463","0.0619","","","0.1455","0.2079","","","","","","0.973","","","","has coordinates","229923","2020-10-21","18:00:00",""
"7047276","7.8309","0.0009","18.449","0.002","28.858","0.003","90","","90","","90","","4169.2","0.8","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Cl Ir N -","- C23 H29 Cl Ir N -","- C184 H232 Cl8 Ir8 N8 -","8","2","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η<sup>1</sup>,η<sup>2</sup>-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.0474","0.0378","","","0.0623","0.0646","","","","","","0.985","","","","has coordinates,has disorder","229296","2020-10-21","18:00:00",""
"7047277","8.564","0.0005","13.4034","0.0008","9.7175","0.0006","90","","114.766","0.0008","90","","1012.85","0.11","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl Ir N -","- C23 H29 Cl Ir N -","- C46 H58 Cl2 Ir2 N2 -","2","1","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η<sup>1</sup>,η<sup>2</sup>-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.0267","0.0253","","","0.0533","0.0538","","","","","","0.894","","","","has coordinates","229296","2020-10-21","18:00:00",""
"7047278","17.0801","0.0005","7.2442","0.0002","14.546","0.0005","90","","90","","90","","1799.8","0.1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 Cl Ir -","- C22 H24 Cl Ir -","- C88 H96 Cl4 Ir4 -","4","1","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η<sup>1</sup>,η<sup>2</sup>-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.049","0.0328","","","0.0558","0.0604","","","","","","1.069","","","","has coordinates","229296","2020-10-21","18:00:00",""
"7047279","11.4853","0.0008","12.4928","0.0009","23.5322","0.0017","97.727","0.002","102.976","0.002","97.59","0.002","3214","0.4","302","2","301.91","","","","","","","","","6","P -1","-P 1","2","","","","- C146.44 H115.31 Br3 N12 O2.44 Rh3 -","- C146.438 H115.314 Br3 N12 O2.438 Rh3 -","- C146.438 H115.314 Br3 N12 O2.438 Rh3 -","1","0.5","","Yang, Wu; Chen, Chen; Chan, Kin Shing","Hydrodebromination of allylic and benzylic bromides with water catalyzed by a rhodium porphyrin complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12879","12883","10.1039/c8dt02168f","","","0.71073","MoKα","","0.0645","0.0577","","","0.1373","0.1404","","","","","","1.216","","","","has coordinates,has disorder","229305","2020-10-21","18:00:00",""
"7047280","12.498","0.002","14.419","0.002","15.675","0.002","112.876","0.004","91.885","0.004","112.174","0.004","2356.1","0.6","222","2","222","2","","","","","","","","4","P -1","-P 1","2","","","","- C58.5 H48.5 N4 Rh -","- C58.5 H48.5 N4 Rh -","- C117 H97 N8 Rh2 -","2","1","","Yang, Wu; Chen, Chen; Chan, Kin Shing","Hydrodebromination of allylic and benzylic bromides with water catalyzed by a rhodium porphyrin complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12879","12883","10.1039/c8dt02168f","","","0.71073","MoKα","","0.133","0.096","","","0.2507","0.2743","","","","","","0.995","","","","has coordinates","229305","2020-10-21","18:00:00",""
"7047281","10.5638","0.0009","20.5737","0.0013","8.2585","0.0007","90","","104.442","0.009","90","","1738.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 O7 P2 Zn2 -","- C11 H13 N5 O7 P2 Zn2 -","- C44 H52 N20 O28 P8 Zn8 -","4","1","","Han, Song-De; Zhang, Xiu-Rong; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","Two- and three-dimensional hybrid zinc phosphites: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12468","12473","10.1039/c8dt02761g","","","0.71073","MoKα","","0.0485","0.0349","","","0.0855","0.093","","","","","","1.041","","","","has coordinates","229938","2020-10-21","18:00:00",""
"7047282","15.8155","0.0011","8.3224","0.0007","17.1936","0.0012","90","","90","","90","","2263.1","0.3","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C11 H14 N5 O10 P3 Zn3 -","- C11 H12 N5 O10 P3 Zn3 -","- C44 H48 N20 O40 P12 Zn12 -","4","0.5","","Han, Song-De; Zhang, Xiu-Rong; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","Two- and three-dimensional hybrid zinc phosphites: syntheses, structures and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12468","12473","10.1039/c8dt02761g","","","0.71073","MoKα","","0.0692","0.0472","","","0.1153","0.1316","","","","","","1.017","","","","has coordinates","229938","2020-10-21","18:00:00",""
"7047283","8.8422","0.0007","10.7274","0.0008","18.8231","0.0016","75.375","0.007","83.809","0.007","69.205","0.007","1614.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10.5 H9.5 N1.5 O8.5 Pr -","- C10.5 H9.5 N1.5 O8.5 Pr -","- C42 H38 N6 O34 Pr4 -","4","2","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.0621","0.056","","","0.1712","0.1772","","","","","","1.071","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7047284","14.5749","0.0009","11.2005","0.0006","14.8295","0.0008","90","","94.069","0.005","90","","2414.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O16 Sm2 -","- C21 H17 N3 O16 Sm2 -","- C84 H68 N12 O64 Sm8 -","4","1","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.0465","0.0389","","","0.0972","0.1067","","","","","","1.047","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7047285","19.2352","0.0003","7.90393","0.00014","16.729","0.0003","90","","91.5518","0.0015","90","","2542.44","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Er N O8 -","- C11 H11 Er N O8 -","- C88 H88 Er8 N8 O64 -","8","1","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.0336","0.0299","","","0.08","0.0847","","","","","","1.061","","","","has coordinates,has disorder","209839","2020-10-21","18:00:00",""
"7047286","9.2117","0.0006","9.5034","0.0006","10.2696","0.0006","96.241","0.005","94.321","0.005","93.127","0.005","889.37","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Dy N2 O11 -","- C14 H12 Dy N2 O11 -","- C28 H24 Dy2 N4 O22 -","2","1","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","1.54184","CuKα","","0.0991","0.0986","","","0.2635","0.2656","","","","","","1.303","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7047287","10.082","0.003","20.206","0.0011","20.535","0.004","90","","129.27","0.04","90","","3239","2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Eu2 N4 O19 -","- C26 H29 Eu2 N4 O19 -","- C104 H116 Eu8 N16 O76 -","4","1","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.1091","0.0892","","","0.254","0.2922","","","","","","1.082","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7047288","19.5746","0.0002","19.5746","0.0002","21.774","0.0003","90","","90","","120","","7225.28","0.14","293","2","293","2","","","","","","","","5","R 3","R 3","146","","","","- C21 H15.67 Gd2 N3 O15.33 -","- C21 H15.66 Gd2 N3 O15.3333 -","- C189 H140.94 Gd18 N27 O138 -","9","","","Kumar, Manesh; Kariem, Mukaddus; Sheikh, Haq Nawaz; Frontera, Antonio; Seth, Saikat Kumar; Jassal, Amanpreet Kaur","A series of 3D lanthanide coordination polymers decorated with a rigid 3,5-pyridinedicarboxylic acid linker: syntheses, structural diversity, DFT study, Hirshfeld surface analysis, luminescence and magnetic properties","Dalton Transactions","2018","","","","","10.1039/C8DT02429D","","x-ray","0.71073","MoKα","","0.0425","0.0424","","","0.1257","0.1258","","","","","","1.096","","","","has coordinates","209839","2020-10-21","18:00:00",""
"7047289","8.4062","0.0012","18.658","0.003","14.43","0.002","90","","99.338","0.002","90","","2233.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 Cl4 Co2 N4 O -","- C19 H19 Cl4 Co2 N4 O -","- C76 H76 Cl16 Co8 N16 O4 -","4","1","","Zhu, Cheng-Yi; Zhang, Ya-Qiong; Liao, Rong-Zhen; Xia, Wu; Hu, Jun-Chao; Wu, Jin; Liu, Hongfang; Wang, Feng","Photocatalytic reduction of CO<sub>2</sub> to CO and formate by a novel Co(ii) catalyst containing a cis-oxygen atom: photocatalysis and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13142","13150","10.1039/c8dt02148a","","","0.71073","MoKα","","0.0688","0.0448","","","0.1124","0.1293","","","","","","0.993","","","","has coordinates","229303","2020-10-21","18:00:00",""
"7047290","9.743","0.0004","10.313","0.0005","21.734","0.001","90","","90","","90","","2183.82","0.17","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 N4 O7 -","- C14 H30 Cl2 N4 O7 -","- C56 H120 Cl8 N16 O28 -","4","1","","Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr","Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13006","13015","10.1039/c8dt02608d","","","0.71073","MoKα","","0.062","0.0439","","","0.098","0.108","","","","","","1.067","","","","has coordinates","229308","2020-10-21","18:00:00",""
"7047291","32.1447","0.0005","9.4379","0.0001","23.5537","0.0004","90","","121.006","0.0008","90","","6124.66","0.16","150","1","150","1","","","","","","","synthesized by the authors","8","C 1 2/c 1","-C 2yc","15","","","","- C15 H41.25 Cl2 Eu N4 Na3 O16.125 P -","- C15 H41 Cl2 Eu N4 Na3 O16.125 P -","- C120 H328 Cl16 Eu8 N32 Na24 O129 P8 -","8","1","","Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr","Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13006","13015","10.1039/c8dt02608d","","","0.71073","MoKα","","0.0406","0.0299","","","0.0658","0.0709","","","","","","1.039","","","","has coordinates","229308","2020-10-21","18:00:00",""
"7047292","22.0543","0.0003","11.1979","0.0001","24.5815","0.0004","90","","96.4613","0.0008","90","","6032.13","0.14","150","1","150","1","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H45 Cl2 N4 O12 P -","- C19 H45 Cl2 N4 O12 P -","- C152 H360 Cl16 N32 O96 P8 -","8","1","","Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr","Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13006","13015","10.1039/c8dt02608d","","","0.71073","MoKα","","0.065","0.0466","","","0.1291","0.1449","","","","","","1.078","","","","has coordinates,has disorder","229308","2020-10-21","18:00:00",""
"7047293","26.365","0.003","17.405","0.002","16.919","0.002","90","","105.164","0.002","90","","7493.5","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(TBA)2_1","","- C59 H102.5 I2 N3.5 O21 V6 -","- C59 H102.5 I2 N3.5 O21 V6 -","- C236 H410 I8 N14 O84 V24 -","4","1","","Linnenberg, Oliver; Mayerl, Lisa; Monakhov, Kirill Yu","The Heck reaction as a tool to expand polyoxovanadates towards thiol-sensitive organic-inorganic hybrid fluorescent switches.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14402","14407","10.1039/c8dt02340a","","","0.71073","MoKα","","0.1219","0.0767","","","0.2127","0.2462","","","","","","0.942","","","","has coordinates,has disorder","229345","2020-10-21","18:00:00",""
"7047294","14.5016","0.0006","13.7745","0.0005","23.8492","0.0009","90","","101.721","0.001","90","","4664.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(TBA)2[Pd2I6]","","- C64 H144 I12 N4 Pd4 -","- C64 H144 I12 N4 Pd4 -","- C128 H288 I24 N8 Pd8 -","2","0.5","","Linnenberg, Oliver; Mayerl, Lisa; Monakhov, Kirill Yu","The Heck reaction as a tool to expand polyoxovanadates towards thiol-sensitive organic-inorganic hybrid fluorescent switches.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14402","14407","10.1039/c8dt02340a","","","0.71073","MoKα","","0.0335","0.0274","","","0.0657","0.0694","","","","","","1.004","","","","has coordinates","229345","2020-10-21","18:00:00",""
"7047295","19.5526","0.0011","15.1317","0.0008","30.7827","0.0017","90","","107.338","0.001","90","","8693.7","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(TBA)2_2e","","- C68 H120 Cl4 N4 O23 V6 -","- C66 H112.86 N4 O23 V6 -","- C264 H451.44 N16 O92 V24 -","4","0.5","","Linnenberg, Oliver; Mayerl, Lisa; Monakhov, Kirill Yu","The Heck reaction as a tool to expand polyoxovanadates towards thiol-sensitive organic-inorganic hybrid fluorescent switches.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14402","14407","10.1039/c8dt02340a","","","0.71073","MoKα","","0.1247","0.0778","","","0.2147","0.2563","","","","","","1.017","","","","has coordinates,has disorder","229345","2020-10-21","18:00:00",""
"7047296","9.6389","0.0006","14.0231","0.0009","15.2963","0.001","106.227","0.004","104.039","0.004","99.734","0.004","1862.6","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H34 B Cl2 Cu F4 N2 P2 -","- C37 H34 B Cl2 Cu F4 N2 P2 -","- C74 H68 B2 Cl4 Cu2 F8 N4 P4 -","2","1","","Chuang, Wan-Jung; Narwane, Manmath; Chen, Hsing-Yin; Kao, Chai-Lin; Huang, Bin; Hsu, Kuang-Mei; Wang, Yun-Ming; Hsu, Sodio C. N.","Nitric oxide-release study of a bio-inspired copper(i)-nitrito complex under chemical and biological conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13151","13157","10.1039/c8dt02281j","","","0.71073","MoKα","","0.0779","0.0536","","","0.1307","0.1446","","","","","","1.041","","","","has coordinates,has disorder","229292","2020-10-21","18:00:00",""
"7047297","13.9223","0.0013","10.2775","0.001","22.565","0.002","90","","101.272","0.002","90","","3166.5","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl Cu N2 P2 -","- C36 H32 Cl Cu N2 P2 -","- C144 H128 Cl4 Cu4 N8 P8 -","4","1","","Chuang, Wan-Jung; Narwane, Manmath; Chen, Hsing-Yin; Kao, Chai-Lin; Huang, Bin; Hsu, Kuang-Mei; Wang, Yun-Ming; Hsu, Sodio C. N.","Nitric oxide-release study of a bio-inspired copper(i)-nitrito complex under chemical and biological conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13151","13157","10.1039/c8dt02281j","","","0.71073","MoKα","","0.0433","0.0319","","","0.0921","0.1124","","","","","","1.184","","","","has coordinates","229292","2020-10-21","18:00:00",""
"7047298","11.56","0.0012","18.1994","0.0018","15.3888","0.0015","90","","102.919","0.003","90","","3155.6","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu N3 O2 P2 -","- C36 H32 Cu N3 O2 P2 -","- C144 H128 Cu4 N12 O8 P8 -","4","1","","Chuang, Wan-Jung; Narwane, Manmath; Chen, Hsing-Yin; Kao, Chai-Lin; Huang, Bin; Hsu, Kuang-Mei; Wang, Yun-Ming; Hsu, Sodio C. N.","Nitric oxide-release study of a bio-inspired copper(i)-nitrito complex under chemical and biological conditions.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13151","13157","10.1039/c8dt02281j","","","0.71073","MoKα","","0.0613","0.0403","","","0.1075","0.1279","","","","","","1.074","","","","has coordinates","229292","2020-10-21","18:00:00",""
"7047299","9.943","0.002","10.966","0.003","11.238","0.003","72.292","0.005","74.571","0.005","76.643","0.005","1110.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Au Cl3 O3 P -","- C21 H21 Au Cl3 O3 P -","- C42 H42 Au2 Cl6 O6 P2 -","2","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0155","0.0142","","","0.0364","0.037","","","","","","1.048","","","","has coordinates","229441","2020-10-21","18:00:00",""
"7047300","13.737","0.004","14.454","0.005","16.002","0.005","68.21","0.007","75.034","0.007","62.753","0.006","2607.9","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H56 Au Cl2 F6 O12 P3 -","- C49 H56 Au Cl2 F6 O12 P3 -","- C98 H112 Au2 Cl4 F12 O24 P6 -","2","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0348","0.0307","","","0.072","0.0739","","","","","","1.066","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047301","10.874","0.002","14.94","0.003","16.308","0.003","107.912","0.004","91.326","0.004","93.609","0.004","2513.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Au Cl O6 P -","- C24 H27 Au Cl O6 P -","- C96 H108 Au4 Cl4 O24 P4 -","4","2","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0229","0.017","","","0.0354","0.037","","","","","","1.015","","","","has coordinates","229441","2020-10-21","18:00:00",""
"7047302","9.5056","0.0015","11.8716","0.0019","20.347","0.003","92.365","0.003","95.981","0.003","102.177","0.004","2227.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H44 Au Cl2 F6 O6 P3 -","- C43 H44 Au Cl2 F6 O6 P3 -","- C86 H88 Au2 Cl4 F12 O12 P6 -","2","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.028","0.0236","","","0.0585","0.0608","","","","","","1.033","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047303","14.496","0.007","16.885","0.008","11.951","0.005","90","","90","","90","","2925","2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H29 Au Cl2 I O6 P -","- C25 H29 Au Cl2 I O6 P -","- C100 H116 Au4 Cl8 I4 O24 P4 -","4","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0103","0.01","","","0.0258","0.0265","","","","","","0.943","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047304","14.422","0.003","16.702","0.003","11.86","0.002","90","","90","","90","","2856.8","0.9","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25 H29 Au Br Cl2 O6 P -","- C25 H29 Au Br Cl2 O6 P -","- C100 H116 Au4 Br4 Cl8 O24 P4 -","4","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0151","0.0129","","","0.0295","0.03","","","","","","0.947","","","","has coordinates,has disorder","229441","2020-10-21","18:00:00",""
"7047305","10.764","0.002","20.118","0.004","14.621","0.003","90","","107.32","0.004","90","","3022.6","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Au Cl5 O6 P -","- C25 H29 Au Cl5 O6 P -","- C100 H116 Au4 Cl20 O24 P4 -","4","1","","Srinivasa Reddy, T.; Privér, Steven H; Rao, Vijay V.; Mirzadeh, Nedaossadat; Bhargava, Suresh K.","Gold(i) and gold(iii) phosphine complexes: synthesis, anticancer activities towards 2D and 3D cancer models, and apoptosis inducing properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15312","15323","10.1039/c8dt01724g","","","0.71073","MoKα","","0.0281","0.0213","","","0.0444","0.0467","","","","","","1.017","","","","has coordinates","229441","2020-10-21","18:00:00",""
"7047306","21.613","0.003","21.613","0.003","78.182","0.016","90","","90","","120","","31628","9","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C138 H118 N4 O33 Zn8 -","- C126 H84 O26.9999 Zn8 -","- C756 H504 O161.999 Zn48 -","6","0.333333","","Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13158","13163","10.1039/c8dt02544d","","","0.71073","MoKα","","0.0994","0.0632","","","0.1811","0.2002","","","","","","1.017","","","","has coordinates","229294","2020-10-21","18:00:00",""
"7047307","36.144","0.004","36.144","0.004","28.831","0.003","90","","90","","120","","32618","6","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H194 Cl15 Gd16 N27 O64 -","- C114 H194 Cl15 Gd16 N27 O64 -","- C684 H1164 Cl90 Gd96 N162 O384 -","6","0.333333","","Richardson, Paul; Hsu, Ting-Jung; Kuo, Che-Jung; Holmberg, Rebecca J.; Gabidullin, Bulat; Rouzières, Mathieu; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng","[Ln<sub>16</sub>] complexes (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>): molecular analogues of natural minerals such as hydrotalcite.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12847","12851","10.1039/c8dt02609b","","","0.71073","MoKα","","0.09","0.0578","","","0.1397","0.1758","","","","","","1.086","","","","has coordinates","229304","2020-10-21","18:00:00",""
"7047308","35.8327","0.0007","35.8327","0.0007","28.8733","0.0007","90","","90","","120","","32106","1.2","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H182 Cl15 Dy16 N27 O67 -","- C114 H182 Cl15.0001 Dy16 N27 O67 -","- C684 H1092 Cl90.0006 Dy96 N162 O402 -","6","0.333333","","Richardson, Paul; Hsu, Ting-Jung; Kuo, Che-Jung; Holmberg, Rebecca J.; Gabidullin, Bulat; Rouzières, Mathieu; Clérac, Rodolphe; Murugesu, Muralee; Lin, Po-Heng","[Ln<sub>16</sub>] complexes (Ln = Gd<sup>III</sup>, Dy<sup>III</sup>): molecular analogues of natural minerals such as hydrotalcite.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12847","12851","10.1039/c8dt02609b","","","0.71073","MoKα","","0.1112","0.0608","","","0.1432","0.1862","","","","","","1.039","","","","has coordinates,has disorder","229304","2020-10-21","18:00:00",""
"7047309","5.2108","0.0002","8.5731","0.0003","13.2997","0.0004","90","","98.502","0.001","90","","587.6","0.04","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H6 N6 O -","- C3 H6 N6 O -","- C12 H24 N24 O4 -","4","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0381","0.0364","","","0.1055","0.1081","","","","","","1.065","","","","has coordinates","230025","2020-10-21","18:00:00",""
"7047310","7.251","0.002","8.401","0.002","12.141","0.004","96.687","0.016","98.317","0.019","93.39","0.03","724.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H9 N9 O10 -","- C9 H9 N9 O10 -","- C18 H18 N18 O20 -","2","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0615","0.0473","","","0.1305","0.1404","","","","","","1.061","","","","has coordinates","230025","2020-10-21","18:00:00",""
"7047311","12.0906","0.0003","4.707","0.0001","14.6257","0.0004","90","","91.71","0.001","90","","831.98","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Cl2 N6 O -","- C3 H8 Cl2 N6 O -","- C12 H32 Cl8 N24 O4 -","4","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0256","0.025","","","0.0652","0.0658","","","","","","1.098","","","","has coordinates","230025","2020-10-21","18:00:00",""
"7047312","5.617","0.0002","18.6083","0.0006","8.1288","0.0003","90","","91.132","0.001","90","","849.48","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N6 O5 S -","- C3 H8 N6 O5 S -","- C12 H32 N24 O20 S4 -","4","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0398","0.0341","","","0.0822","0.0873","","","","","","1.098","","","","has coordinates","230025","2020-10-21","18:00:00",""
"7047313","8.1276","0.0002","11.7571","0.0003","12.4802","0.0003","68.187","0.001","73.428","0.001","85.505","0.001","1060.68","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H19 N16 O15.5 -","- C6 H19 N16 O15.5 -","- C12 H38 N32 O31 -","2","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0662","0.0532","","","0.1506","0.1645","","","","","","1.012","","","","has coordinates,has disorder","230025","2020-10-21","18:00:00",""
"7047314","14.953","0.004","4.8569","0.0012","19.28","0.005","90","","93.743","0.006","90","","1397.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 Cl2 N6 O12 -","- C3 H14 Cl2 N6 O12 -","- C12 H56 Cl8 N24 O48 -","4","1","","Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan","5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13391","13401","10.1039/c8dt01760c","","","0.71073","MoKα","","0.0744","0.0528","","","0.132","0.145","","","","","","1.029","","","","has coordinates,has disorder","230025","2020-10-21","18:00:00",""
"7047315","8.0305","0.0004","8.0305","0.0004","5.1718","0.0005","90","","90","","90","","333.52","0.04","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Eu2 Mg O7 Si2 -","- Eu2 Mg O7 Si2 -","- Eu4 Mg2 O14 Si4 -","2","0.25","","Chi, Yang; Xue, Huai-Guo; Guo, Sheng-Ping","The first investigation of europium silicate melilite for second-order nonlinear optical application: experimental and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13434","13441","10.1039/c8dt02701c","","","0.71073","MoKα","","0.0295","0.029","","","0.1014","0.1018","","","","","","1.048","","","","has coordinates","230017","2020-10-21","18:00:00",""
"7047316","19.4013","0.0019","20.567","0.002","16.0495","0.0017","90","","106.5","0.007","90","","6140.5","1.1","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl Fe N4 O3 -","- C60 H68 Cl2 Fe2 N8 O6 -","- C240 H272 Cl8 Fe8 N32 O24 -","4","1","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","","1.54178","CuKα","","0.1946","0.0982","","","0.2237","0.2708","","","","","","1.007","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047317","19.2723","0.0014","20.5184","0.0009","15.9246","0.0008","90","","106.818","0.007","90","","6027.8","0.6","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl Fe N4 O3 -","- C60 H72 Cl2 Fe2 N8 O6 -","- C240 H288 Cl8 Fe8 N32 O24 -","4","1","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","","1.54178","CuKα","","0.0986","0.0666","","","0.1694","0.19","","","","","","1.051","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047318","16.203","0.003","21.769","0.003","19.85","0.004","90","","108.591","0.008","90","","6636","2","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30 H34 Fe I N4 O2 -","- C30 H34 Fe I N4 O2 -","- C240 H272 Fe8 I8 N32 O16 -","8","1","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","x-ray","1.54178","CuKα","","0.1024","0.1005","","","0.2551","0.2618","","","","","","1.22","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047319","46.308","0.004","20.8116","0.0015","19.6811","0.0017","90","","97.514","0.007","90","","18805","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 Br Fe N4 O2.5 -","- C30 H35 Br Fe N4 O2.5 -","- C720 H840 Br24 Fe24 N96 O60 -","24","3","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","","1.54187","CuKα","","0.247","0.1631","","","0.3696","0.4112","","","","","","2.006","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047320","19.551","0.005","20.824","0.005","15.874","0.004","90","","107.188","0.007","90","","6174","3","103","","103","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br Fe N4 O3 -","- C30 H36 Br Fe N4 O3 -","- C240 H288 Br8 Fe8 N32 O24 -","8","2","","Boonprab, Theerapoom; Harding, Phimphaka; Murray, Keith S.; Phonsri, Wasinee; Telfer, Shane G.; Alkaş, Adil; Ketkaew, Rangsiman; Tantirungrotechai, Yuthana; Jameson, Guy N. L.; Harding, David J.","Solvatomorphism and anion effects in predominantly low spin iron(iii) Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12449","12458","10.1039/c8dt02016g","","","1.54178","CuKα","","0.1216","0.0968","","","0.2187","0.2528","","","","","","1.137","","","","has coordinates","229942","2020-10-21","18:00:00",""
"7047321","8.5926","0.0003","14.2494","0.0004","16.9748","0.0005","90","","102.517","0.0005","90","","2028.98","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I Sc -","- C20 H30 I Sc -","- C80 H120 I4 Sc4 -","4","1","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.028","0.0244","","","0.0557","0.0572","","","","","","1.078","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047322","11.3988","0.0006","14.335","0.0008","10.8986","0.0006","90","","90","","90","","1780.85","0.17","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H30 F Sc -","- C20 H30 F Sc -","- C80 H120 F4 Sc4 -","4","0.5","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.043","0.0361","","","0.0949","0.1001","","","","","","1.077","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047323","8.935","0.0003","13.8389","0.0005","15.7599","0.0006","90","","95.8039","0.0006","90","","1938.73","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Br Sc -","- C20 H30 Br Sc -","- C80 H120 Br4 Sc4 -","4","1","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.0406","0.0294","","","0.0715","0.0761","","","","","","1.036","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047324","10.7408","0.0008","21.3333","0.0017","16.7347","0.0013","90","","90.199","0.0013","90","","3834.5","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 Cl Sc -","- C20 H30 Cl Sc -","- C160 H240 Cl8 Sc8 -","8","4","","Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.","Solid-state <sup>45</sup>Sc NMR studies of Cp*<sub>2</sub>Sc-X and Cp*<sub>2</sub>ScX(THF).","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13063","13071","10.1039/c8dt02623h","","","0.71073","MoKα","","0.0628","0.0478","","","0.1049","0.1127","","","","","","1.035","","","","has coordinates","229297","2020-10-21","18:00:00",""
"7047325","27.796","0.004","27.796","0.004","27.796","0.004","90","","90","","90","","21476","5","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C164 H284 N16 O124 V28 -","- C132 H156 N12 O100 V28.0004 -","- C264 H312 N24 O200 V56.0008 -","2","0.0416667","","Gong, Ya-Ru; Chen, Wei-Chao; Zhao, Liang; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Functionalized polyoxometalate-based metal-organic cuboctahedra for selective adsorption toward cationic dyes in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12979","12983","10.1039/c8dt02580k","","","0.71073","MoKα","","0.1878","0.118","","","0.3054","0.3751","","","","","","1.085","","","","has coordinates,has disorder","229307","2020-10-21","18:00:00",""
"7047326","27.216","0.002","27.216","0.002","27.216","0.002","90","","90","","90","","20159","3","173","2","173.05","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C156 H252 N20 O108 S4 V24 -","- C132 H156 N12 O100 S4 V24 -","- C264 H312 N24 O200 S8 V48 -","2","0.0416667","","Gong, Ya-Ru; Chen, Wei-Chao; Zhao, Liang; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Functionalized polyoxometalate-based metal-organic cuboctahedra for selective adsorption toward cationic dyes in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12979","12983","10.1039/c8dt02580k","","","0.71073","MoKα","","0.2099","0.1055","","","0.2581","0.3285","","","","","","0.943","","","","has coordinates,has disorder","229307","2020-10-21","18:00:00",""
"7047327","7.2721","0.001","7.2721","0.001","23.668","0.004","90","","90","","90","","1251.6","0.3","173","2","173","2","","","","","","","","6","I 41/a m d","-I 4bd 2","141","Tetramethylammonium uranyl oxyfluoride","","","- C4 H12 F5 N O4 U2 -","- C4 H12 F5 N O4 U2 -","- C16 H48 F20 N4 O16 U8 -","4","","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0404","0.0302","","","0.0661","0.0697","","","","","","1.086","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7047328","11.9218","0.0012","9.8442","0.001","12.5378","0.0012","90","","101.924","0.003","90","","1439.7","0.2","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Tetrabutylammonium uranyl oxyfluoride","","","- C16 H36 F7 N O7 U3 -","- C16 H36 F7 N O7 U3 -","- C32 H72 F14 N2 O14 U6 -","2","0.5","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0571","0.0342","","","0.0656","0.0709","","","","","","1.069","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7047329","9.8238","0.0011","12.5892","0.0016","20.661","0.003","90","","90","","90","","2555.2","0.6","173","2","173","2","","","","","","","","3","P b c m","-P 2c 2b","57","Tetrapropylammonium uranyl oxyfluoride","","","- F7 O7 U3 -","- F7 O7 U3 -","- F28 O28 U12 -","4","0.5","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0321","0.0213","","","0.0426","0.0449","","","","","","0.975","","","","has coordinates,has disorder","210040","2020-10-21","18:00:00",""
"7047330","14.5685","0.0015","12.8961","0.0013","14.6415","0.0014","90","","110.215","0.003","90","","2581.4","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tetraethylammonium uranyl oxyfluoride","","","- C8 H20 F3 N O2 U -","- C8 H20 F3 N O2 U -","- C64 H160 F24 N8 O16 U8 -","8","1","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0286","0.0246","","","0.0644","0.0657","","","","","","1.333","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7047331","13.8413","0.0018","15.531","0.002","16.556","0.002","90","","98.762","0.004","90","","3517.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetraethylammonium uranyl oxyfluoride","","","- C16 H40 F10 N2 O11 U4 -","- C16 H40 F10 N2 O11 U4 -","- C64 H160 F40 N8 O44 U16 -","4","1","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0414","0.0315","","","0.0747","0.0774","","","","","","1.184","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7047332","9.7727","0.001","17.5281","0.0019","19.726","0.002","73.92","0.005","87.943","0.004","78.166","0.004","3177","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Tetrabutylammonium uranyl oxyfluoride","","","- C32 H72 F16 N2 O17 U7 -","- C32 H72 F16 N2 O17 U7 -","- C64 H144 F32 N4 O34 U14 -","2","1","","Yue, Zenghui; Lin, Jian; Silver, Mark Andrew; Han, Ling; Li, Xiaoyun; Zhou, Jing; Guo, Xiaojing; Bao, Hong-liang; Huang, Yuying; Wang, Jian-Qiang","Anionic Uranyl Oxyfluorides as a Bifunctional Platform for Highly Selective Ion-Exchange and Photocatalytic Degradation of Organic Dyes","Dalton Transactions","2018","","","","","10.1039/C8DT02309C","","","0.71073","MoKα","","0.0608","0.042","","","0.1161","0.1275","","","","","","1.061","","","","has coordinates","210040","2020-10-21","18:00:00",""
"7047333","17.9384","0.0008","21.0551","0.001","38.4913","0.0016","90","","90","","90","","14538","1.1","123","","123","","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C74 H90 Cl2 O15 P4 U -","- C74 H84 Cl2 O15 P4 U -","- C592 H672 Cl16 O120 P32 U8 -","8","","","Mashita, Takanori; Tsushima, Satoru; Takao, Koichiro","Controlling lability of uranyl(VI) through intramolecular π-π stacking","Dalton Transactions","2018","","","","","10.1039/C8DT02600A","","","0.71075","MoKα","","0.0566","0.0499","","","0.1131","0.1162","","","","","","1.09","","","","has coordinates","210041","2020-10-21","18:00:00",""
"7047334","11.8644","0.001","8.0617","0.0007","19.9991","0.0016","90","","98.308","0.001","90","","1892.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N14 O16 -","- C7 H10 N14 O16 -","- C28 H40 N56 O64 -","4","1","","Yu, Qiong; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","N,N'-Methylenebis(N-(1,2,5-oxadiazol-3-yl)nitramide) derivatives as metal-free green primary explosives.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12661","12666","10.1039/c8dt03042a","","","0.71073","MoKα","","0.0575","0.0373","","","0.0847","0.0932","","","","","","1.018","","","","has coordinates","229927","2020-10-21","18:00:00",""
"7047335","9.8303","0.0002","21.711","0.0004","19.0242","0.0003","90","","94.351","0.0008","90","","4048.55","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Cl5 Ga Si2 Zr2 -","- C35 H44 Cl5 Ga Si2 Zr2 -","- C140 H176 Cl20 Ga4 Si8 Zr8 -","4","1","","Trose, M.; Reiß, M; Reiß, F; Anke, F.; Spannenberg, A.; Boye, S.; Lederer, A.; Arndt, P.; Beweries, T.","Dehydropolymerisation of methylamine borane using a dinuclear 1,3-allenediyl bridged zirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12858","12862","10.1039/c8dt03311k","","","1.54178","CuKα","","0.0745","0.0681","","","0.1909","0.2005","","","","","","1.039","","","","has coordinates","229306","2020-10-21","18:00:00",""
"7047336","10.9699","0.0003","17.276","0.0004","32.6586","0.0009","90","","90","","90","","6189.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 Si2 Zr2 -","- C31 H44 Si2 Zr2 -","- C248 H352 Si16 Zr16 -","8","2","","Trose, M.; Reiß, M; Reiß, F; Anke, F.; Spannenberg, A.; Boye, S.; Lederer, A.; Arndt, P.; Beweries, T.","Dehydropolymerisation of methylamine borane using a dinuclear 1,3-allenediyl bridged zirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12858","12862","10.1039/c8dt03311k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0526","0.0545","","","","","","1.033","","","","has coordinates","229306","2020-10-21","18:00:00",""
"7047337","13.7519","0.0007","10.7132","0.0006","14.1096","0.0007","90","","97.732","0.002","90","","2059.82","0.19","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C54 H36 Cl Cu N6 O4 -","- C54 H36 Cl Cu N6 O4 -","- C108 H72 Cl2 Cu2 N12 O8 -","2","0.5","","Martínez, Natalia P; Isaacs, Mauricio; Oliver, Allen G.; Ferraudi, G.; Lappin, A. Graham; Guerrero, Juan","Effects of non-covalent interactions on the electronic and electrochemical properties of Cu(i) biquinoline complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13171","13179","10.1039/c8dt02722f","","","0.71073","MoKα","","0.0531","0.0371","","","0.0862","0.0929","","","","","","1.019","","","","has coordinates","229298","2020-10-21","18:00:00",""
"7047338","14.1241","0.0011","14.4166","0.0011","15.9927","0.0013","90","","103.416","0.003","90","","3167.6","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H29 Cl Cu N4 O5.25 -","- C36 H24 Cl Cu N4 O5.25 -","- C144 H96 Cl4 Cu4 N16 O21 -","4","2","","Martínez, Natalia P; Isaacs, Mauricio; Oliver, Allen G.; Ferraudi, G.; Lappin, A. Graham; Guerrero, Juan","Effects of non-covalent interactions on the electronic and electrochemical properties of Cu(i) biquinoline complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13171","13179","10.1039/c8dt02722f","","","0.71073","MoKα","","0.0455","0.0397","","","0.1114","0.1151","","","","","","1.023","","","","has coordinates","229298","2020-10-21","18:00:00",""
"7047339","10.8591","0.0005","11.0549","0.0004","15.5476","0.0007","75.088","0.004","69.996","0.004","84.603","0.004","1694.72","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H21 B F15 N O -","- C38 H21 B F15 N O -","- C76 H42 B2 F30 N2 O2 -","2","1","","Soltani, Yashar; Adams, Samuel J.; Börger, Jennifer; Wilkins, Lewis C.; Newman, Paul D.; Pope, Simon J. A.; Melen, Rebecca L.","Synthesis and photophysical properties of imine borane adducts towards vapochromic materials.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12656","12660","10.1039/c8dt03019g","","","0.71073","MoKα","","0.0811","0.0489","","","0.1153","0.138","","","","","","1.016","","","","has coordinates","229922","2020-10-21","18:00:00",""
"7047340","22.6407","0.0011","22.6407","0.0011","19.7106","0.001","90","","90","","120","","8750","0.7","293","2","293","2","","","","","","","","9","P 3 2 1","P 3 2""","150","","","","- C18 H24 As2 K14 N6 Ni3 O96 P6 W12 -","- C18 H24 As2 K14 N6 Ni3 O96 P6 W12 -","- C54 H72 As6 K42 N18 Ni9 O288 P18 W36 -","3","0.5","","Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang","Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13479","13486","10.1039/c8dt02590h","","","0.71073","MoKα","","0.0505","0.0418","","","0.1018","0.1067","","","","","","1.039","","","","has coordinates,has disorder","230013","2020-10-21","18:00:00",""
"7047341","23.181","0.006","18.465","0.005","34.868","0.012","90","","105.887","0.005","90","","14355","7","296","2","296.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C18 H58 As2 K8 N6 Ni4 O93 P6 W12 -","- C18 H24 As2 K8 N6 Ni4 O93 P6 W12 -","- C72 H96 As8 K32 N24 Ni16 O372 P24 W48 -","4","0.5","","Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang","Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13479","13486","10.1039/c8dt02590h","","","0.71073","MoKα","","0.1275","0.0882","","","0.2422","0.2776","","","","","","1.033","","","","has coordinates,has disorder","230013","2020-10-21","18:00:00",""
"7047342","26.67","0.002","29.464","0.003","36.519","0.003","90","","90","","90","","28697","4","296","2","296.15","","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C18 H60 As2 Cs2 K5 N6 Ni4 O93 P6 W12 -","- C18 H24 As2 Cs2 K5 N6 Ni4 O93 P6 W12 -","- C144 H192 As16 Cs16 K40 N48 Ni32 O744 P48 W96 -","8","1","","Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang","Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13479","13486","10.1039/c8dt02590h","","","0.71073","MoKα","","0.1242","0.0691","","","0.1679","0.211","","","","","","1.063","","","","has coordinates,has disorder","230013","2020-10-21","18:00:00",""
"7047343","10.607","0.0013","16.984","0.002","19.941","0.002","90","","93.564","0.003","90","","3585.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Complex1","","- C44 H104 O20 P4 Sn6 -","- C44 H98 O20 P4 Sn6 -","- C88 H196 O40 P8 Sn12 -","2","0.5","","Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","High-nuclearity silver ethynide clusters containing polynucleating oxygen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12972","12978","10.1039/c8dt02700e","","","0.71073","MoKα","","0.0621","0.0522","","","0.1079","0.1156","","","","","","1.179","","","","has coordinates,has disorder","229300","2020-10-21","18:00:00",""
"7047344","14.2975","0.0011","15.2821","0.0011","17.9075","0.0013","70.495","0.002","80.824","0.002","65.193","0.002","3347","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Compex2","","- C86 H187 Ag12 Cl O34 P6 Sn6 -","- C86 H162 Ag12 Cl O26 P6 Sn6 -","- C86 H162 Ag12 Cl O26 P6 Sn6 -","1","0.5","","Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","High-nuclearity silver ethynide clusters containing polynucleating oxygen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12972","12978","10.1039/c8dt02700e","","","0.71073","MoKα","","0.0398","0.034","","","0.0746","0.079","","","","","","1.12","","","","has coordinates,has disorder","229300","2020-10-21","18:00:00",""
"7047345","13.247","0.002","19.839","0.003","27.503","0.004","99.106","0.004","102.67","0.004","103.873","0.004","6674.5","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Compelx3","","- C69 H165 Ag8 Bi9 O50 P10 -","- C66 H126 Ag8 Bi9 O38 P10 -","- C132 H252 Ag16 Bi18 O76 P20 -","2","1","","Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","High-nuclearity silver ethynide clusters containing polynucleating oxygen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12972","12978","10.1039/c8dt02700e","","","0.71073","MoKα","","0.076","0.0616","","","0.1437","0.1579","","","","","","1.087","","","","has coordinates,has disorder","229300","2020-10-21","18:00:00",""
"7047346","26.438","0.002","19.3816","0.0015","47.701","0.004","90","","95.212","0.002","90","","24341","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C159 H227 Ag30 Bi6 Cl2 F48 O51.5 P6 -","- C144 H202 Ag30 Bi6 Cl2 F30 O38 P6 -","- C576 H808 Ag120 Bi24 Cl8 F120 O152 P24 -","4","0.5","","Jin, Jun-Ling; Xie, Yun-Peng; Lu, Xing","High-nuclearity silver ethynide clusters containing polynucleating oxygen donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12972","12978","10.1039/c8dt02700e","","","0.71073","MoKα","","0.1206","0.0995","","","0.2105","0.2231","","","","","","1.102","","","","has coordinates,has disorder","229300","2020-10-21","18:00:00",""
"7047347","8.8384","0.0009","20.599","0.002","7.5457","0.0008","90","","90.749","0.004","90","","1373.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 N12 O7 -","- C4 H16 N12 O7 -","- C16 H64 N48 O28 -","4","1","","Ma, Jinchao; Cheng, Guangbin; Ju, Xuehai; Yi, Zhenxin; Zhu, Shunguan; Zhang, Zaichao; Yang, Hongwei","Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14483","14490","10.1039/c8dt03126f","","","0.71073","MoKα","","0.1104","0.0551","","","0.1106","0.1321","","","","","","1.034","","","","has coordinates","229351","2020-10-21","18:00:00",""
"7047348","8.9661","0.0007","6.7936","0.0006","18.1976","0.0017","90","","90","","90","","1108.45","0.17","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C16 H32 N40 O24 -","4","1","","Ma, Jinchao; Cheng, Guangbin; Ju, Xuehai; Yi, Zhenxin; Zhu, Shunguan; Zhang, Zaichao; Yang, Hongwei","Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14483","14490","10.1039/c8dt03126f","","","0.71073","MoKα","","0.1092","0.0707","","","0.1648","0.1894","","","","","","1.096","","","","has coordinates,has disorder","229351","2020-10-21","18:00:00",""
"7047349","20.3213","0.0011","20.3213","0.0011","12.4045","0.0008","90","","90","","90","","5122.5","0.5","100","2","100","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C16 H6 Co2 F12 N4 O2 -","- C16 H6 Co2 F12 N4 O2 -","- C128 H48 Co16 F96 N32 O16 -","8","","","Fritzsche, Julia Christina; Grzywa, Maciej; Denysenko, Dmytro; Reschke, Stephan; Sugimoto, Kunihisa; Krug, Hans Albrecht; Schmidtner, Daniel; Volkmer, Dirk","CFA-14 ‒ a perfluorinated metal-organic framework with linear 1-D CoII-chains showing temperature dependent spin-chain magnetic ordering","Dalton Transactions","2018","","","","","10.1039/C8DT02841A","","","0.78201","Synchrotron","","0.176","0.1254","","","0.3349","0.3677","","","","","","1.21","","","","has coordinates","210108","2020-10-21","18:00:00",""
"7047350","19.8244","0.0004","12.3683","0.0002","27.2326","0.0005","90","","104.974","0.002","90","","6450.5","0.2","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H98 Si10 -","- C48 H98 Si10 -","- C192 H392 Si40 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","The selective formation of a 1,2-disilabenzene from the reaction of a disilyne with phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13318","13322","10.1039/c8dt03081b","","","0.71073","MoKα","","0.0628","0.0529","","","0.1203","0.124","","","","","","1.239","","","","has coordinates","230031","2020-10-21","18:00:00",""
"7047351","18.1857","0.0003","30.4174","0.0005","12.6976","0.0002","90","","90","","90","","7023.8","0.2","90","","90","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C58 H108 Si10 -","- C58 H108 Si10 -","- C232 H432 Si40 -","4","0.5","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","The selective formation of a 1,2-disilabenzene from the reaction of a disilyne with phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13318","13322","10.1039/c8dt03081b","","","0.30241","synchrotron","","0.0365","0.0348","","","0.0957","0.0973","","","","","","1.062","","","","has coordinates,has disorder","230031","2020-10-21","18:00:00",""
"7047352","13.2542","0.0004","14.3679","0.0005","20.4533","0.0007","85.685","0.003","89.418","0.002","66.661","0.003","3565.4","0.2","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H110 Si10 -","- C64 H110 Si10 -","- C128 H220 Si20 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Hashizume, Daisuke; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","The selective formation of a 1,2-disilabenzene from the reaction of a disilyne with phenylacetylene.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13318","13322","10.1039/c8dt03081b","","","0.71073","MoKα","","0.1064","0.0622","","","0.1362","0.1594","","","","","","1.057","","","","has coordinates,has disorder","230031","2020-10-21","18:00:00",""
"7047353","12.3914","0.0005","13.6795","0.0006","15.9103","0.0006","94.764","0.003","91.951","0.003","97.911","0.003","2659.2","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Y{CH[N(Dipp)]2}2(THF)(OCP)","","- C55 H78 N4 O2 P Y -","- C55 H78 N4 O2 P Y -","- C110 H156 N8 O4 P2 Y2 -","2","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0335","0.0322","","","0.082","0.0831","","","","","","1.041","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047354","16.6407","0.0002","24.6511","0.0003","20.6049","0.0002","90","","93.097","0.001","90","","8440.02","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Na(18-crown-6)](THF)2][Y(OCP)2{CH[N(Dipp)]2}2]*0.5THF*0.5hex","","- C81 H128 N4 Na O11.5 P2 Y -","- C81 H128 N4 Na O11.5 P2 Y -","- C324 H512 N16 Na4 O46 P8 Y4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0508","0.0444","","","0.1127","0.1169","","","","","","1.108","","","","has coordinates,has disorder","229301","2020-10-21","18:00:00",""
"7047355","12.339","0.003","13.458","0.003","16.372","0.003","85.06","0.03","89.92","0.03","69.91","0.03","2542.6","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[Nd{CH[N(Dipp)]2}2(THF)(OCP)]2*C6H6","","- C108 H146 N8 Nd2 O2 P2 -","- C108 H146 N8 Nd2 O2 P2 -","- C108 H146 N8 Nd2 O2 P2 -","1","0.5","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0519","0.0414","","","0.0987","0.1066","","","","","","1.056","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047356","16.2099","0.0003","16.9858","0.0003","29.5661","0.0008","80.844","0.002","83.341","0.002","86.754","0.002","7976.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Nd{CH[N(Dipp)]2}2(THF)(OCP)","","- C55 H78 N4 Nd O2 P -","- C55 H78 N4 Nd O2 P -","- C330 H468 N24 Nd6 O12 P6 -","6","3","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0601","0.0439","","","0.1166","0.1286","","","","","","1.052","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047357","16.6407","0.0002","24.6511","0.0003","20.6049","0.0002","90","","93.097","0.001","90","","8440.02","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Na(18-crown-6)](THF)2][Nd(OCP)2{CH[N(Dipp)]2}2]*0.5THF*0.5hex","","- C81 H128 N4 Na Nd O11.5 P2 -","- C81 H128 N4 Na Nd O11.5 P2 -","- C324 H512 N16 Na4 Nd4 O46 P8 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0356","0.0308","","","0.0781","0.0818","","","","","","1.039","","","","has coordinates,has disorder","229301","2020-10-21","18:00:00",""
"7047358","11.036","0.002","21.134","0.004","28.094","0.006","90","","90","","90","","6552","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Sm(2,2,2-crypt){CH[N(Dipp)]2}[CH[N(Dipp)]2]","","- C68 H106 N6 O6 Sm -","- C68 H106 N6 O6 Sm -","- C272 H424 N24 O24 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.026","0.0248","","","0.0586","0.0593","","","","","","1.021","","","","has coordinates,has disorder","229301","2020-10-21","18:00:00",""
"7047359","11.237","0.002","9.6634","0.0019","24.483","0.005","90","","94.81","0.03","90","","2649.2","0.9","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","[Sm(2,2,2-crypt)][PCO]2","","- C20 H36 N2 O8 P2 Sm -","- C20 H36 N2 O8 P2 Sm -","- C80 H144 N8 O32 P8 Sm4 -","4","2","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0415","0.0409","","","0.1028","0.1039","","","","","","1.025","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047360","11.151","0.002","27.883","0.006","13.27","0.003","90","","95","0.03","90","","4110.3","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Sm(18-crown-6)(OCP){CH[N(Dipp)]2}","","- C38 H59 N2 O7 P Sm -","- C38 H59 N2 O7 P Sm -","- C152 H236 N8 O28 P4 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0444","0.0373","","","0.0898","0.0953","","","","","","1.051","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047361","16.674","0.003","24.61","0.005","20.762","0.004","90","","92.84","0.03","90","","8509","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Na(18-crown-6)(THF)2][Sm(OCP)2{CH[N(Dipp)]2}2(THF)]*0.65THF*0.35hex","","- C80.7 H128.1 N4 Na O11.65 P2 Sm -","- C80.706 H128.118 N4 Na O11.647 P2 Sm -","- C322.824 H512.472 N16 Na4 O46.588 P8 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0496","0.0369","","","0.0888","0.0987","","","","","","1.034","","","","has coordinates,has disorder","229301","2020-10-21","18:00:00",""
"7047362","11.0116","0.0001","20.7007","0.0002","28.2458","0.0003","90","","90","","90","","6438.57","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Sm(18-crown-6)(THF)CH[N(Dipp)]2][CH[N(Dipp)]2]","","- C66 H102 N4 O7 Sm -","- C66 H102 N4 O7 Sm -","- C264 H408 N16 O28 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0477","0.0418","","","0.0999","0.1047","","","","","","1.039","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047363","8.7799","0.0007","9.679","0.0007","12.5229","0.0011","109.152","0.007","96.773","0.007","99.48","0.006","974.54","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H12 N O7 Zn -","- C21 H12 N O7 Zn -","- C42 H24 N2 O14 Zn2 -","2","1","","Xia, Shu-Biao; Li, Fu-Shao; Shen, Xiang; Li, Xue; Cheng, Fei-Xiang; Sun, Cheng-Ke; Guo, Hong; Liu, Jian-Jun","A photochromic zinc-based coordination polymer for a Li-ion battery anode with high capacity and stable cycling stability.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13222","13228","10.1039/c8dt02930j","","","0.71073","MoKα","","0.0641","0.0507","","","0.1377","0.1475","","","","","","1.059","","","","has coordinates","229291","2020-10-21","18:00:00",""
"7047364","13.078","0.006","17.03","0.009","22.287","0.009","81.2","0.05","78.03","0.04","75.3","0.04","4670","4","82","2","82","2","","","","","","","","7","P -1","-P 1","2","","","","- C86.8 H91.2 Cl0.5 N17.9 Ni6 O22 Y -","- C86.8 H87.7 Cl0.5 N17.9 Ni6 O22 Y -","- C173.6 H175.4 Cl N35.8 Ni12 O44 Y2 -","2","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.","Heterometallic lanthanide-centred [NiLn<sup>III</sup>] rings.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12863","12867","10.1039/c8dt02855a","","","0.71073","MoKα","","0.2277","0.0962","","","0.143","0.1904","","","","","","1","","","","has coordinates,has disorder","229293","2020-10-21","18:00:00",""
"7047365","16.797","0.005","27.342","0.008","22.871","0.008","90","","100.16","0.03","90","","10339","6","80","2","80","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H102.5 Cl2.5 Dy N22 Ni6 O28.5 -","- C95 H101.5 Cl2.5 Dy N22 Ni6 O28.5 -","- C380 H406 Cl10 Dy4 N88 Ni24 O114 -","4","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.","Heterometallic lanthanide-centred [NiLn<sup>III</sup>] rings.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12863","12867","10.1039/c8dt02855a","","","0.71073","MoKα","","0.1781","0.0929","","","0.1612","0.1959","","","","","","1.069","","","","has coordinates,has disorder","229293","2020-10-21","18:00:00",""
"7047366","13.217","0.006","17.084","0.006","22.417","0.009","81.23","0.08","78.33","0.07","74.33","0.06","4747","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H96 Cl Gd N20 Ni6 O21 -","- C92 H96 Cl Gd N20 Ni6 O21 -","- C184 H192 Cl2 Gd2 N40 Ni12 O42 -","2","1","","Canaj, Angelos B.; Tzimopoulos, Demetrios I.; Kalofolias, Dimitris A.; Siczek, Milosz; Lis, Tadeusz; Murrie, Mark; Milios, Constantinos J.","Heterometallic lanthanide-centred [NiLn<sup>III</sup>] rings.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12863","12867","10.1039/c8dt02855a","","","0.71073","MoKα","","0.2535","0.0875","","","0.1565","0.1995","","","","","","0.77","","","","has coordinates,has disorder","229293","2020-10-21","18:00:00",""
"7047367","15.209","0.019","20.64","0.03","15.35","0.02","90","","99.5","0.02","90","","4752","11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H50 Cl2 Cu N6 O12 -","- C50 H50 Cl2 Cu N6 O12 -","- C200 H200 Cl8 Cu4 N24 O48 -","4","1","","Bej, Somnath; Ghosh, Pradyut","Naphthalene containing amino-ether macrocycle based Cu(ii) templated [2]pseudorotaxanes and OFF/ON fluorescence switching via axle substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13408","13418","10.1039/c8dt02848f","","","0.71073","MoKα","","0.1172","0.0578","","","0.124","0.1511","","","","","","0.947","","","","has coordinates","230016","2020-10-21","18:00:00",""
"7047368","13.309","0.004","13.829","0.004","14.593","0.005","78.351","0.004","67.456","0.004","87.227","0.004","2428.3","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cl2 Cu N6 O12 -","- C50 H54 Cl2 Cu N6 O12 -","- C100 H108 Cl4 Cu2 N12 O24 -","2","1","","Bej, Somnath; Ghosh, Pradyut","Naphthalene containing amino-ether macrocycle based Cu(ii) templated [2]pseudorotaxanes and OFF/ON fluorescence switching via axle substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13408","13418","10.1039/c8dt02848f","","","0.71073","MoKα","","0.1004","0.0502","","","0.11","0.1321","","","","","","0.938","","","","has coordinates","230016","2020-10-21","18:00:00",""
"7047369","17.283","0.006","9.77","0.009","19.505","0.007","90","","93.56","0.03","90","","3287","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 Cl Fe N2 O2 -","- C33 H50 Cl Fe N2 O2 -","- C132 H200 Cl4 Fe4 N8 O8 -","4","1","","Cozzolino, Mariachiara; Leo, Vincenza; Tedesco, Consiglia; Mazzeo, Mina; Lamberti, Marina","Salen, salan and salalen iron(iii) complexes as catalysts for CO<sub>2</sub>/epoxide reactions and ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13229","13238","10.1039/c8dt03169j","","","1.54178","CuKα","","0.0338","0.0305","","","0.0841","0.0866","","","","","","1.031","","","","has coordinates","229290","2020-10-21","18:00:00",""
"7047370","14.0563","0.0005","7.5815","0.0002","14.9961","0.0005","90","","90","","90","","1598.1","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl Co H2 O7 Se2 -","- Bi Cl Co H2 O7 Se2 -","- Bi8 Cl8 Co8 H16 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0132","0.0122","","","0.0304","0.0307","","","","","","1.045","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047371","14.0827","0.0004","7.5752","0.0002","14.8604","0.0004","90","","90","","90","","1585.3","0.07","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl H2 Ni O7 Se2 -","- Bi Cl H2 Ni O7 Se2 -","- Bi8 Cl8 H16 Ni8 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0135","0.0129","","","0.033","0.0333","","","","","","1.02","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047372","14.5757","0.0005","7.3706","0.0002","14.6563","0.0005","90","","90","","90","","1574.55","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- Bi Cl Cu H2 O7 Se2 -","- Bi Cl Cu H2 O7 Se2 -","- Bi8 Cl8 Cu8 H16 O56 Se16 -","8","1","","Geng, Lei; Wang, Hao; Li, Qiang; Lu, Hong-Yan; Li, Guo-Bao","Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO<sub>3</sub>)<sub>2</sub>(H<sub>2</sub>O)Cl (M = Co, Ni, Cu).","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13466","13471","10.1039/c8dt02354a","","","0.71073","MoKα","","0.0325","0.0272","","","0.0809","0.0853","","","","","","1.061","","","","has coordinates","230012","2020-10-21","18:00:00",""
"7047373","8.2","0.002","13.605","0.003","30.666","0.006","90","","96.85","0.03","90","","3396.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37 B F4 N8 O4 Pd -","- C33 H37 B F4 N8 O4 Pd -","- C132 H148 B4 F16 N32 O16 Pd4 -","4","1","","Scattolin, Thomas; Caligiuri, Isabella; Canovese, Luciano; Demitri, Nicola; Gambari, Roberto; Lampronti, Ilaria; Rizzolio, Flavio; Santo, Claudio; Visentin, Fabiano","Synthesis of new allyl palladium complexes bearing purine-based NHC ligands with antiproliferative and proapoptotic activities on human ovarian cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13616","13630","10.1039/c8dt01831f","","","0.7","Synchrotron","","0.1428","0.1325","","","0.3163","0.3219","","","","","","1.144","","","","has coordinates,has disorder","230011","2020-10-21","18:00:00",""
"7047374","8.818","0.002","15.614","0.003","23.329","0.005","90","","94.9","0.03","90","","3200.3","1.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H33 B Cl F4 N4 O2 P Pd -","- C30.5 H33 B Cl F4 N4 O2 P Pd -","- C122 H132 B4 Cl4 F16 N16 O8 P4 Pd4 -","4","1","","Scattolin, Thomas; Caligiuri, Isabella; Canovese, Luciano; Demitri, Nicola; Gambari, Roberto; Lampronti, Ilaria; Rizzolio, Flavio; Santo, Claudio; Visentin, Fabiano","Synthesis of new allyl palladium complexes bearing purine-based NHC ligands with antiproliferative and proapoptotic activities on human ovarian cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13616","13630","10.1039/c8dt01831f","","","0.7","Synchrotron","","0.0287","0.0276","","","0.0706","0.0714","","","","","","0.994","","","","has coordinates,has disorder","230011","2020-10-21","18:00:00",""
"7047375","20.439","0.002","10.581","0.001","18.32","0.003","90","","110.78","0.008","90","","3704.2","0.8","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Cl3 Cr N O3 P -","- C39 H50 Cl3 Cr N O3 P -","- C156 H200 Cl12 Cr4 N4 O12 P4 -","4","1","","Zheng, Quande; Zheng, Dejuan; Han, Binghao; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by the bidentate PN ligands: synthesis, characterization and application for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13459","13465","10.1039/c8dt02834f","","","0.71073","MoKα","","0.0986","0.062","","","0.1125","0.1234","","","","","","1.085","","","","has coordinates","230027","2020-10-21","18:00:00",""
"7047376","12.196","0.002","14.507","0.002","17.197","0.003","109.393","0.003","99.295","0.003","102.656","0.003","2708","0.8","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52 Cl7 Cr N O2 P -","- C56 H52 Cl7 Cr N O2 P -","- C112 H104 Cl14 Cr2 N2 O4 P2 -","2","1","","Zheng, Quande; Zheng, Dejuan; Han, Binghao; Liu, Shaofeng; Li, Zhibo","Chromium complexes supported by the bidentate PN ligands: synthesis, characterization and application for ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13459","13465","10.1039/c8dt02834f","","","0.71073","MoKα","","0.1079","0.0719","","","0.1742","0.1892","","","","","","1.082","","","","has coordinates","230027","2020-10-21","18:00:00",""
"7047377","8.1575","0.0004","17.4805","0.0008","17.964","0.0006","62.669","0.002","80.922","0.003","88.786","0.002","2243.32","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{[(N,N'-dimethylformamide)-tris(3-(9,10-dioxoanthracenyl}aminopropanoate)dysprosium(III)]}","","- C54 H43 Dy N4 O13 -","- C54 H43 Dy N4 O13 -","- C108 H86 Dy2 N8 O26 -","2","1","","Ruiz-Muelle, Ana Belén; García-García, Amalia; García-Valdivia, Antonio A; Oyarzabal, Itziar; Cepeda, Javier; Seco, José M; Colacio, Enrique; Rodríguez-Diéguez, Antonio; Fernández, Ignacio","Design and synthesis of a family of 1D-lanthanide-coordination polymers showing luminescence and slow relaxation of the magnetization.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12783","12794","10.1039/c8dt02592d","","","0.71073","MoKα","","0.0793","0.0513","","","0.1119","0.123","","","","","","0.987","","","","has coordinates","229914","2020-10-21","18:00:00",""
"7047378","11.324","0.0002","15.3663","0.0002","15.3059","0.0003","90","","105.061","0.0019","90","","2571.87","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 N4 O P2 Ru2 -","- C52 H58 N4 O P2 Ru2 -","- C104 H116 N8 O2 P4 Ru4 -","2","0.5","","Zhang, Xiang; Guo, Qiang; Zhang, Yuchen; Zhang, Yaona; Zheng, Wenjun","A dipotassium 1,2,4-diazaphospholide dianion radical as an organometallic building block: the first 1,2-diaza-4-phosphine ruthenocene.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13332","13336","10.1039/c8dt03185a","","x-ray","0.71073","MoKα","","0.0511","0.0417","","","0.134","0.144","","","","","","1.181","","","","has coordinates","230026","2020-10-21","18:00:00",""
"7047379","12.0937","0.0005","13.2312","0.0006","14.624","0.0006","115.783","0.002","91.404","0.002","114.197","0.002","1862.47","0.15","100","","100","","","","","","","","","4","P -1","-P 1","2","","Co2(esp)2(EtOH)2","","- C36 H52 Co2 O10 -","- C36 H52 Co2 O10 -","- C72 H104 Co4 O20 -","2","1","","Pakula, Ryan J.; Berry, John F.","Cobalt complexes of the chelating dicarboxylate ligand ""esp"": a paddlewheel-type dimer and a heptanuclear coordination cluster.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13887","13893","10.1039/c8dt03030h","","x-ray","1.54178","CuKα","K-L~3~","0.0401","0.0378","","","0.1057","0.1082","","","","","","1.043","","","","has coordinates,has disorder","229490","2020-10-21","18:00:00",""
"7047380","14.4865","0.0008","17.3169","0.0009","22.9538","0.0012","94.052","0.003","94.507","0.003","95.506","0.003","5696.2","0.5","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","Co7(OH)4(Hesp)2(esp)4(MeCN)2.4MeCN","","- C108 H144 Co7 N6 O28 -","- C108 H144 Co7 N6 O28 -","- C216 H288 Co14 N12 O56 -","2","1","","Pakula, Ryan J.; Berry, John F.","Cobalt complexes of the chelating dicarboxylate ligand ""esp"": a paddlewheel-type dimer and a heptanuclear coordination cluster.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13887","13893","10.1039/c8dt03030h","","x-ray","0.71073","MoKα","","0.0593","0.0496","","","0.1232","0.1295","","","","","","1.019","","","","has coordinates","229490","2020-10-21","18:00:00",""
"7047381","10.3765","0.0004","13.4987","0.0007","13.7533","0.0006","85.983","0.004","84.828","0.003","82.019","0.004","1896.75","0.15","293","2","293","2","","","","","","","synthesis","6","P -1","-P 1","2","","unk","","- C40 H48 Fe N2 O2 S2 -","- C40 H48 Fe N2 O2 S2 -","- C80 H96 Fe2 N4 O4 S4 -","2","1","","Sarkar, Prasenjit; Mukherjee, Chandan","A non-innocent pincer H<sub>3</sub>L<sup>ONS</sup> ligand and its corresponding octahedral low-spin Fe(iii) complex formation via ligand-centric homolytic S-S bond scission.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13337","13341","10.1039/c8dt02763c","","x-ray","0.71073","MoKα","","0.059","0.0478","","","0.1237","0.1338","","","","","","1.004","","","","has coordinates","230022","2020-10-21","18:00:00",""
"7047382","8.039","0.0016","8.14","0.0016","14.734","0.003","98.99","0.03","90.96","0.03","99.37","0.03","938.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 Cl3 N8 Pd -","- C41 H35 Cl3 N8 Pd -","- C41 H35 Cl3 N8 Pd -","1","0.5","","Milocco, Francesca; de Vries, Folkert; Dall'Anese, Anna; Rosar, Vera; Zangrando, Ennio; Otten, Edwin; Milani, Barbara","Palladium alkyl complexes with a formazanate ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14445","14451","10.1039/c8dt03130d","","","0.7","synchrotron","","0.0266","0.0266","","","0.0691","0.0691","","","","","","1.13","","","","has coordinates","229343","2020-10-21","18:00:00",""
"7047383","14.8027","0.0006","16.6849","0.0006","15.6639","0.0006","90","","107.675","0.002","90","","3686.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Cl N5 Pd -","- C37 H56 Cl N5 Pd -","- C148 H224 Cl4 N20 Pd4 -","4","1","","Milocco, Francesca; de Vries, Folkert; Dall'Anese, Anna; Rosar, Vera; Zangrando, Ennio; Otten, Edwin; Milani, Barbara","Palladium alkyl complexes with a formazanate ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14445","14451","10.1039/c8dt03130d","","","0.71073","MoKα","","0.0749","0.057","","","0.1056","0.1199","","","","","","1.197","","","","has coordinates,has disorder","229343","2020-10-21","18:00:00",""
"7047384","9.897","0.002","12.993","0.003","16.703","0.003","105.23","0.03","106.5","0.03","98.54","0.03","1928.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 Cl2 N8 O2 Pd2 -","- C41 H38 Cl2 N8 O2 Pd2 -","- C82 H76 Cl4 N16 O4 Pd4 -","2","1","","Milocco, Francesca; de Vries, Folkert; Dall'Anese, Anna; Rosar, Vera; Zangrando, Ennio; Otten, Edwin; Milani, Barbara","Palladium alkyl complexes with a formazanate ligand: synthesis, structure and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14445","14451","10.1039/c8dt03130d","","","0.7","synchrotron","","0.0376","0.0368","","","0.1026","0.1031","","","","","","1.06","","","","has coordinates","229343","2020-10-21","18:00:00",""
"7047385","12.5989","0.0003","7.39494","0.00017","17.7897","0.0005","90","","108.536","0.003","90","","1571.45","0.07","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 Cl Fe N2 O2 -","- C16 H16 Cl Fe N2 O2 -","- C64 H64 Cl4 Fe4 N8 O8 -","4","0.5","","Fazekas, Eszter; Nichol, Gary S.; Shaver, Michael P.; Garden, Jennifer A.","Stable Fe(iii) phenoxyimines as selective and robust CO<sub>2</sub>/epoxide coupling catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13106","13112","10.1039/c8dt02919a","","x-ray","0.71073","MoKα","","0.0298","0.0271","","","0.0676","0.069","","","","","","1.098","","","","has coordinates","229299","2020-10-21","18:00:00",""
"7047386","23.1547","0.0003","12.00241","0.00014","12.99462","0.00016","90","","102.417","0.0012","90","","3526.89","0.08","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cl3 Fe N2 O2 -","- C16 H14 Cl3 Fe N2 O2 -","- C128 H112 Cl24 Fe8 N16 O16 -","8","1","","Fazekas, Eszter; Nichol, Gary S.; Shaver, Michael P.; Garden, Jennifer A.","Stable Fe(iii) phenoxyimines as selective and robust CO<sub>2</sub>/epoxide coupling catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13106","13112","10.1039/c8dt02919a","","x-ray","1.54184","CuKα","","0.0431","0.0406","","","0.107","0.1092","","","","","","1.03","","","","has coordinates","229299","2020-10-21","18:00:00",""
"7047387","10.8856","0.0003","24.3385","0.0007","19.8618","0.0006","90","","91.003","0.003","90","","5261.4","0.3","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Cl2 Fe2 N4 O4 -","- C55 H72 Cl2 Fe2 N4 O4 -","- C220 H288 Cl8 Fe8 N16 O16 -","4","1","","Fazekas, Eszter; Nichol, Gary S.; Shaver, Michael P.; Garden, Jennifer A.","Stable Fe(iii) phenoxyimines as selective and robust CO<sub>2</sub>/epoxide coupling catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13106","13112","10.1039/c8dt02919a","","x-ray","1.54184","CuKα","","0.1282","0.0969","","","0.2401","0.2617","","","","","","1.064","","","","has coordinates","229299","2020-10-21","18:00:00",""
"7047388","10.7786","0.0005","8.152","0.0003","23.4486","0.001","90","","99.338","0.004","90","","2033.06","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 I2 N4 Pd -","- C16 H18 I2 N4 Pd -","- C64 H72 I8 N16 Pd4 -","4","1","","Verma, Sanjay K.; Kumari, Pratibha; Ansari, Shagufi Naz; Ansari, Mohd Ovais; Deori, Dondinath; Mobin, Shaikh M.","A novel mesoionic carbene based highly fluorescent Pd(ii) complex as an endoplasmic reticulum tracker in live cells.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15646","15650","10.1039/c8dt02778a","","x-ray","0.71073","MoKα","","0.0488","0.0434","","","0.1117","0.1154","","","","","","1.045","","","","has coordinates","229270","2020-10-21","18:00:00",""
"7047389","9.4799","0.0015","11.2272","0.0017","32.541","0.005","95.086","0.005","97.666","0.003","108.351","0.003","3226.3","0.9","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H83 F6 N O4 Pt -","- C74 H83 F6 N O4 Pt -","- C148 H166 F12 N2 O8 Pt2 -","2","1","","Yang, Xuefeng; Wu, Xiugang; Zhou, Di; Yu, Junting; Xie, Guohua; Bruce, Duncan W.; Wang, Yafei","Platinum-based metallomesogens bearing a Pt(4,6-dfppy)(acac) skeleton: synthesis, photophysical properties and polarised phosphorescence application.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13368","13377","10.1039/c8dt03017k","","","0.71073","MoKα","","0.1239","0.0739","","","0.1821","0.2138","","","","","","1.002","","","","has coordinates","230034","2020-10-21","18:00:00",""
"7047390","9.0732","0.0001","26.0989","0.0003","13.9595","0.0002","90","","103.821","0.001","90","","3209.91","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 Eu4 N4 O37 -","- C52 H42 Eu4 N4 O37 -","- C104 H84 Eu8 N8 O74 -","2","0.5","","Zou, Ji-Yong; Li, Ling; You, Sheng-Yong; Liu, Yue-Wei; Cui, Hong-Min; Cui, Jian-Zhong; Zhang, Shao-Wei","Two luminescent lanthanide(iii) metal-organic frameworks as chemosensors for high-efficiency recognition of Cr(vi) anions in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15694","15702","10.1039/c8dt03050b","","","1.54178","CuKα","","0.1176","0.1066","","","0.2314","0.2396","","","","","","1.05","","","","has coordinates","229284","2020-10-21","18:00:00",""
"7047391","9.0774","0.0002","25.9711","0.0005","13.9493","0.0003","90","","103.844","0.002","90","","3193.02","0.12","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 N4 O37 Tb4 -","- C52 H44 N4 O37 Tb4 -","- C104 H88 N8 O74 Tb8 -","2","0.5","","Zou, Ji-Yong; Li, Ling; You, Sheng-Yong; Liu, Yue-Wei; Cui, Hong-Min; Cui, Jian-Zhong; Zhang, Shao-Wei","Two luminescent lanthanide(iii) metal-organic frameworks as chemosensors for high-efficiency recognition of Cr(vi) anions in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15694","15702","10.1039/c8dt03050b","","","1.54178","CuKα","","0.0699","0.061","","","0.1577","0.1697","","","","","","1.091","","","","has coordinates,has disorder","229284","2020-10-21","18:00:00",""
"7047392","8.578","0.0006","25.4265","0.0016","10.0899","0.0006","90","","111.421","0.002","90","","2048.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Bi N O10.5 S2 -","- C17 H14.992 Bi N O10.496 S2 -","- C68 H59.968 Bi4 N4 O41.984 S8 -","4","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.0302","0.023","","","0.0381","0.0392","","","","","","1.146","","","","has coordinates,has disorder","230035","2020-10-21","18:00:00",""
"7047393","9.9248","0.0004","14.3297","0.0006","7.7249","0.0003","90","","102.94","0.001","90","","1070.73","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Eu N O8 S -","- C6 H4 Eu N O8 S -","- C24 H16 Eu4 N4 O32 S4 -","4","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.0412","0.0319","","","0.0696","0.0724","","","","","","1.077","","","","has coordinates","230035","2020-10-21","18:00:00",""
"7047394","36.9994","0.0014","7.5906","0.0003","23.8697","0.0009","90","","90","","90","","6703.7","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H6 Eu2 O26 S3 -","- C18 H6 Eu2 O26 S3 -","- C144 H48 Eu16 O208 S24 -","8","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.0746","0.0392","","","0.0695","0.0783","","","","","","1.046","","","","has coordinates","230035","2020-10-21","18:00:00",""
"7047395","8.7978","0.0007","9.8686","0.0007","30.237","0.002","87.935","0.002","87.669","0.002","69.077","0.002","2449.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H29 Bi2 N3 O22.9 S5 -","- C45 H29 Bi2 N3 O22.9 S5 -","- C90 H58 Bi4 N6 O45.8 S10 -","2","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.0694","0.049","","","0.0892","0.0949","","","","","","1.09","","","","has coordinates,has disorder","230035","2020-10-21","18:00:00",""
"7047396","8.913","0.003","35.065","0.013","9.735","0.003","90","","110.591","0.013","90","","2848.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Bi N2 O12.36 S3 -","- C28 H19 Bi N2 O12.356 S3 -","- C112 H76 Bi4 N8 O49.424 S12 -","4","1","","Adcock, Alyssa K.; Gibbons, Bradley; Einkauf, Jeffrey D.; Bertke, Jeffery A.; Rubinson, J. Faye; de Lill, Daniel T.; Knope, Karah E.","Bismuth(iii)-thiophenedicarboxylates as host frameworks for lanthanide ions: synthesis, structural characterization, and photoluminescent behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13419","13433","10.1039/c8dt02920b","","","0.71073","MoKα","","0.06","0.0473","","","0.0985","0.1028","","","","","","1.117","","","","has coordinates,has disorder","230035","2020-10-21","18:00:00",""
"7047397","16.9165","0.0008","10.5877","0.0005","18.5943","0.0009","90","","96.973","0.001","90","","3305.7","0.3","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Americium(III) Diethyldithiobarbamate","","","- C27 H38 Am N5 S6 -","- C27 H38 Am N5 S6 -","- C108 H152 Am4 N20 S24 -","4","1","","Cary, Samantha K.; Su, Jing; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Batista, Enrique R.; Ferrier, Maryline G.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Van Alstine, Cayla E.; White, Frankie D.; Yang, Ping","A series of dithiocarbamates for americium, curium, and californium.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14452","14461","10.1039/c8dt02658k","","","0.71073","MoKα","","0.0248","0.0199","","","0.0425","0.0443","","","","","","1.018","","","","has coordinates","229334","2020-10-21","18:00:00",""
"7047398","10.436","0.0012","34.561","0.004","11.3259","0.0014","90","","117.142","0.003","90","","3635.2","0.8","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cf N6 S6 -","- C29 H39 Cf N6 S6 -","- C116 H156 Cf4 N24 S24 -","4","1","","Cary, Samantha K.; Su, Jing; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Batista, Enrique R.; Ferrier, Maryline G.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Van Alstine, Cayla E.; White, Frankie D.; Yang, Ping","A series of dithiocarbamates for americium, curium, and californium.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14452","14461","10.1039/c8dt02658k","","","0.71073","MoKα","","0.0848","0.0525","","","0.1119","0.1231","","","","","","1.046","","","","has coordinates,has disorder","229334","2020-10-21","18:00:00",""
"7047399","17.0129","0.0011","10.6573","0.0007","18.7412","0.0012","90","","96.371","0.0013","90","","3377","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Curium(III)(Et2DTC)3phen","Curium diethyldithiocarbamate","","- C27 H38 Cm N5 S6 -","- C27 H38 Cm N5 S6 -","- C108 H152 Cm4 N20 S24 -","4","1","","Cary, Samantha K.; Su, Jing; Galley, Shane S.; Albrecht-Schmitt, Thomas E; Batista, Enrique R.; Ferrier, Maryline G.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Van Alstine, Cayla E.; White, Frankie D.; Yang, Ping","A series of dithiocarbamates for americium, curium, and californium.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14452","14461","10.1039/c8dt02658k","","","0.71073","MoKα","","0.0268","0.0207","","","0.0562","0.06","","","","","","0.982","","","","has coordinates","229334","2020-10-21","18:00:00",""
"7047400","12.413","0.003","15.526","0.003","15.772","0.003","90","","90","","90","","3039.6","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 Cl3 Cr N3 -","- C32 H39 Cl3 Cr N3 -","- C128 H156 Cl12 Cr4 N12 -","4","1","","Huang, Chuanbing; Huang, Yongfeng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Hu, Xinquan; Sun, Wen-Hua","Cycloheptyl-fused N,N,N'-chromium catalysts with selectivity for vinyl-terminated polyethylene waxes: thermal optimization and polymer functionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13487","13497","10.1039/c8dt03052a","","","0.710747","MoKα","","0.0453","0.043","","","0.1125","0.1256","","","","","","1.072","","","","has coordinates","230032","2020-10-21","18:00:00",""
"7047401","6.8206","0.0003","12.1575","0.0005","12.4766","0.0005","113.072","0.002","98.877","0.002","92.179","0.002","934.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C44 H36 N8 O12 -","2","1","","Kundu, Tanay; Wang, Jian; Cheng, Youdong; Du, Yonghua; Qian, Yuhong; Liu, Guoliang; Zhao, Dan","Hydrazone-based covalent organic frameworks for Lewis acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13824","13829","10.1039/c8dt03005g","","","1.54178","CuKα","","0.0547","0.041","","","0.1284","0.1385","","","","","","1.0591","","","","has coordinates","229505","2020-10-21","18:00:00",""
"7047402","7.576","0.003","13.264","0.004","20.195","0.004","90","","90","","90","","2029.4","1.1","280","2","280","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0506","0.0458","","","0.1154","0.1244","","","","","","1.103","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047403","13.205","0.004","8.005","0.003","20.946","0.006","90","","91.28","0.03","90","","2213.6","1.2","280","2","280","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0596","0.0405","","","0.0987","0.1135","","","","","","1.078","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047404","18.212","0.004","7.863","0.002","15.828","0.003","90","","91.33","0.02","90","","2266","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H31 Bi Cl6 N2 O -","- C12 H31 Bi Cl6 N2 O -","- C48 H124 Bi4 Cl24 N8 O4 -","4","0.5","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0517","0.0426","","","0.1095","0.1207","","","","","","1.104","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047405","7.478","0.004","13.246","0.002","19.854","0.002","90","","90","","90","","1966.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0281","0.0277","","","0.0666","0.067","","","","","","1.055","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047406","18.338","0.002","7.905","0.002","7.933","0.004","90","","91.32","0.03","90","","1149.7","0.7","260","2","260","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H31 Bi Cl6 N2 O -","- C12 H31 Bi Cl6 N2 O -","- C24 H62 Bi2 Cl12 N4 O2 -","2","0.25","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0504","0.0504","","","0.1256","0.1256","","","","","","1.125","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047407","12.993","0.004","7.845","0.002","21.164","0.004","90","","89.42","0.02","90","","2157.1","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Bi Br5 N2 -","- C12 H28 Bi Br5 N2 -","- C48 H112 Bi4 Br20 N8 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0539","0.0425","","","0.1092","0.1193","","","","","","1.011","","","","has coordinates","230021","2020-10-21","18:00:00",""
"7047408","18.449","0.003","7.942","0.005","7.949","0.004","90","","91.22","0.04","90","","1164.4","1","300","2","300","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C12 H31 Bi Cl6 N2 O -","- C12 H31 Bi Cl6 N2 O -","- C24 H62 Bi2 Cl12 N4 O2 -","2","0.25","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0485","0.0475","","","0.1085","0.11","","","","","","1.071","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047409","22.095","0.002","13.0551","0.0013","52.019","0.005","90","","90","","90","","15005","2","296","2","296.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C32 H208 K3 N6 O156 P2 Tm2 W22 -","- C32 H76 N6 O90 P2 Tm2 W22 -","- C128 H304 N24 O360 P8 Tm8 W88 -","4","1","","Wu, Hechen; Zhi, Minna; Singh, Vikram; Li, Huafeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Elucidating white light emissions in Tm<sup>3+</sup>/Dy<sup>3+</sup> codoped polyoxometalates: a color tuning and energy transfer mechanism study.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13949","13956","10.1039/c8dt02671h","","","0.71073","MoKα","","0.0917","0.0623","","","0.1454","0.1641","","","","","","1.054","","","","has coordinates","229495","2020-10-21","18:00:00",""
"7047410","28.057","0.002","37.109","0.003","28.306","0.002","90","","90.656","0.002","90","","29469","4","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C294 H293 Cl24 N24 O25 Pd8 -","- C294 H293 Cl24 N24 O25 Pd8 -","- C1176 H1172 Cl96 N96 O100 Pd32 -","4","1","","Abdellah, Ibrahim; Kasongo, Pauline; Labattut, Axel; Guillot, Régis; Schulz, Emmanuelle; Martini, Cyril; Huc, Vincent","Benzyloxycalix[8]arene: a new valuable support for NHC palladium complexes in C-C Suzuki-Miyaura couplings.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13843","13848","10.1039/c8dt02550a","","","0.71073","MoKα","","0.2436","0.1004","","","0.2174","0.279","","","","","","1.024","","","","has coordinates,has disorder","229491","2020-10-21","18:00:00",""
"7047411","9.3129","0.0002","14.6586","0.0002","21.9957","0.0003","90","","97.167","0.002","90","","2979.26","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Au Cl2 N3 O -","- C35 H30 Au Cl2 N3 O -","- C140 H120 Au4 Cl8 N12 O4 -","4","1","","Williams, Morwen R. M.; Bertrand, Benoît; Fernandez-Cestau, Julio; Waller, Zoë A E; O'Connell, Maria A; Searcey, Mark; Bochmann, Manfred","Acridine-decorated cyclometallated gold(iii) complexes: synthesis and anti-tumour investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13523","13534","10.1039/c8dt02507j","","x-ray","0.71073","MoKα","","0.0257","0.0232","","","0.059","0.0602","","","","","","1.068","","","","has coordinates","230024","2020-10-21","18:00:00",""
"7047412","16.0889","0.0007","9.4523","0.0004","20.5113","0.0008","90","","104.423","0.004","90","","3021","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Au Cl2 N4 -","- C35 H31 Au Cl2 N4 -","- C140 H124 Au4 Cl8 N16 -","4","1","","Williams, Morwen R. M.; Bertrand, Benoît; Fernandez-Cestau, Julio; Waller, Zoë A E; O'Connell, Maria A; Searcey, Mark; Bochmann, Manfred","Acridine-decorated cyclometallated gold(iii) complexes: synthesis and anti-tumour investigations.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13523","13534","10.1039/c8dt02507j","","x-ray","0.71073","MoKα","","0.0631","0.0588","","","0.1193","0.1214","","","","","","1.157","","","","has coordinates","230024","2020-10-21","18:00:00",""
"7047413","12.461","0.002","15.509","0.003","22.269","0.004","90","","99.352","0.003","90","","4246.5","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H100 O52 Rh4 W8 -","- C40 H60 O51.9996 Rh4 W8 -","- C80 H120 O103.999 Rh8 W16 -","2","0.5","","Singh, Vikram; Ma, Pengtao; Drew, Michael G. B.; Wang, Jingping; Niu, Jingyang","A comprehensive approach providing a new synthetic route for bimetallic electrocatalysts via isoPOMs [M/Rh(Cp*)<sub>4</sub>W<sub>8</sub>O<sub>32</sub>] (M = Rh (1) and Ir (2)).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13870","13879","10.1039/c8dt03227k","","","0.71073","MoKα","","0.0599","0.0403","","","0.1017","0.1086","","","","","","1.047","","","","has coordinates,has disorder","229500","2020-10-21","18:00:00",""
"7047414","12.685","0.003","15.825","0.004","22.113","0.005","90","","94.964","0.004","90","","4422.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H104 Ir4 O55 W8 -","- C40 H60 Ir4 O55 W8 -","- C80 H120 Ir8 O110 W16 -","2","0.5","","Singh, Vikram; Ma, Pengtao; Drew, Michael G. B.; Wang, Jingping; Niu, Jingyang","A comprehensive approach providing a new synthetic route for bimetallic electrocatalysts via isoPOMs [M/Rh(Cp*)<sub>4</sub>W<sub>8</sub>O<sub>32</sub>] (M = Rh (1) and Ir (2)).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13870","13879","10.1039/c8dt03227k","","","0.71073","MoKα","","0.1204","0.0595","","","0.1325","0.1543","","","","","","0.914","","","","has coordinates,has disorder","229500","2020-10-21","18:00:00",""
"7047415","14.3591","0.0003","8.3292","0.0002","23.2265","0.0007","90","","98.326","0.002","90","","2748.61","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cu N6 O3 -","- C30 H36 Cu N6 O3 -","- C120 H144 Cu4 N24 O12 -","4","1","","Kang, Yang; Liao, Zhuang; Wu, Min; Li, Sai; Fang, De-Cai; Zheng, Xiang-Jun; Jin, Lin-Pei","Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13730","13738","10.1039/c8dt03179g","","x-ray","1.54184","CuKα","","0.055","0.0478","","","0.1529","0.1603","","","","","","1.282","","","","has coordinates","230020","2020-10-21","18:00:00",""
"7047416","9.3825","0.0002","7.1727","0.0002","21.551","0.0005","90","","90.853","0.002","90","","1450.18","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2.07 H2.34 N0.69 O0.14 -","- C2.06897 H2.34483 N0.689655 O0.137931 -","- C60 H68 N20 O4 -","29","7.25","","Kang, Yang; Liao, Zhuang; Wu, Min; Li, Sai; Fang, De-Cai; Zheng, Xiang-Jun; Jin, Lin-Pei","Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13730","13738","10.1039/c8dt03179g","","","1.54178","CuKα","","0.045","0.0415","","","0.1151","0.119","","","","","","1.047","","","","has coordinates","230020","2020-10-21","18:00:00",""
"7047417","7.644","0.005","17.654","0.005","22.775","0.005","90","0.005","90","0.005","90","0.005","3073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 Ni O2 -","- C18 H18 N2 Ni O2 -","- C144 H144 N16 Ni8 O16 -","8","1","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.0605","0.0377","","","0.0867","0.095","","","","","","1.017","","","","has coordinates","229509","2020-10-21","18:00:00",""
"7047418","25.09","0.002","10.1029","0.0006","15.1546","0.0009","90","","94.576","0.006","90","","3829.2","0.4","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H40 Cl Mn N7 Ni2 O10 -","- C36 H40 Cl Mn N7 Ni2 O10 -","- C144 H160 Cl4 Mn4 N28 Ni8 O40 -","4","1","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.0547","0.0461","","","0.088","0.0913","","","","","","1.038","","","","has coordinates","229509","2020-10-21","18:00:00",""
"7047419","21.847","0.0007","13.0063","0.0007","30.2495","0.0011","90","","101.6","0.003","90","","8419.8","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H76 Cl3 Mn2 N11 Ni4 O22 -","- C72 H72 Cl3 Mn2 N11 Ni4 O22 -","- C288 H288 Cl12 Mn8 N44 Ni16 O88 -","4","0.5","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.088","0.0686","","","0.2006","0.2215","","","","","","1.07","","","","has coordinates,has disorder","229509","2020-10-21","18:00:00",""
"7047420","17.79","0.004","13.0863","0.0017","19.171","0.005","90","","116.9","0.03","90","","3980.2","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H37.5 Mn N6.5 Ni2 O4 S2 -","- C39 H37.5 Mn N6.5 Ni2 O4 S2 -","- C156 H150 Mn4 N26 Ni8 O16 S8 -","4","1","","Mahapatra, Prithwish; Drew, Michael G. B.; Ghosh, Ashutosh","Tri- and hexa-nuclear Ni<sup>II</sup>-Mn<sup>II</sup> complexes of a N<sub>2</sub>O<sub>2</sub> donor unsymmetrical ligand: synthesis, structures, magnetic properties and catalytic oxidase activities.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13957","13971","10.1039/c8dt02962h","","","0.71073","MoKα","","0.1635","0.1093","","","0.21","0.2323","","","","","","1.144","","","","has coordinates,has disorder","229509","2020-10-21","18:00:00",""
"7047421","10.6487","0.0003","21.331","0.0006","11.2665","0.0003","90","","116.985","0.001","90","","2280.53","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B10 Ir N O -","- C18 H30 B10 Ir N O -","- C72 H120 B40 Ir4 N4 O4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin","Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13641","13646","10.1039/c8dt03104e","","","1.34138","GaKα","","0.0353","0.0338","","","0.0809","0.0819","","","","","","1.08","","","","has coordinates","230018","2020-10-21","18:00:00",""
"7047422","11.509","0.004","13.941","0.004","18.125","0.006","90","","90","","90","","2908.1","1.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 B10 Ir2 O -","- C23 H41 B10 Ir2 O -","- C92 H164 B40 Ir8 O4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin","Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13641","13646","10.1039/c8dt03104e","","","0.71073","MoKα","","0.058","0.0448","","","0.1325","0.1442","","","","","","1.1","","","","has coordinates","230018","2020-10-21","18:00:00",""
"7047423","8.746","0.0019","18.478","0.004","14.961","0.003","90","","99.519","0.003","90","","2384.5","0.9","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 Ir N O2 -","- C18 H30 B10 Ir N O2 -","- C72 H120 B40 Ir4 N4 O8 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin","Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13641","13646","10.1039/c8dt03104e","","","0.71073","MoKα","","0.0456","0.0358","","","0.0921","0.0979","","","","","","1.043","","","","has coordinates","230018","2020-10-21","18:00:00",""
"7047424","8.7191","0.0004","18.3682","0.0007","14.9487","0.0006","90","","99.516","0.001","90","","2361.15","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 B10 N O2 Rh -","- C18 H30 B10 N O2 Rh -","- C72 H120 B40 N4 O8 Rh4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin","Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13641","13646","10.1039/c8dt03104e","","","1.34138","GaKα","","0.0385","0.0352","","","0.0896","0.0921","","","","","","1.102","","","","has coordinates,has disorder","230018","2020-10-21","18:00:00",""
"7047425","7.9658","0.0004","9.4955","0.0005","26.0125","0.0014","90","","95.157","0.002","90","","1959.6","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Bi N4 O9.5 -","- C14 H29 Bi N4 O9.5 -","- C56 H116 Bi4 N16 O38 -","4","1","","Pujales-Paradela, Rosa; Rodríguez-Rodríguez, Aurora; Gayoso-Padula, Antonella; Brandariz, Isabel; Valencia, Laura; Esteban-Gómez, David; Platas-Iglesias, Carlos","On the consequences of the stereochemical activity of the Bi(iii) 6s<sup>2</sup> lone pair in cyclen-based complexes. The [Bi(DO3A)] case.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13830","13842","10.1039/c8dt02602e","","","0.71073","MoKα","","0.0318","0.0292","","","0.068","0.0687","","","","","","1.223","","","","has coordinates","229502","2020-10-21","18:00:00",""
"7047426","13.8379","0.0004","14.1652","0.0004","16.3768","0.0004","90","","105.211","0.001","90","","3097.66","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 F6 Mn N5 O6 S2 -","- C27 H25 F6 Mn N5 O6 S2 -","- C108 H100 F24 Mn4 N20 O24 S8 -","4","1","","Denler, Melissa C.; Wijeratne, Gayan B.; Rice, Derek B.; Colmer, Hannah E.; Day, Victor W.; Jackson, Timothy A.","Mn<sup>III</sup>-Peroxo adduct supported by a new tetradentate ligand shows acid-sensitive aldehyde deformylation reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13442","13458","10.1039/c8dt02300j","","","1.54178","CuKα","","0.0295","0.0293","","","0.0751","0.0753","","","","","","1.037","","","","has coordinates","230028","2020-10-21","18:00:00",""
"7047427","11.2061","0.0005","23.9366","0.0011","31.4661","0.0014","90","","90","","90","","8440.3","0.7","143","","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H111 Eu N6 O9 -","- C99 H111 Eu N6 O9 -","- C396 H444 Eu4 N24 O36 -","4","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.1959","0.0683","","","0.1196","0.1592","","","","","","0.956","","","","has coordinates","229350","2020-10-21","18:00:00",""
"7047428","15.2602","0.0007","11.2695","0.0005","23.5329","0.001","90","","106.51","0.002","90","","3880.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","1","0.5","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0624","0.0581","","","0.1561","0.1586","","","","","","1.033","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047429","15.565","0.013","11.095","0.008","23.637","0.013","90","","106.22","0.03","90","","3919","5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","1","0.5","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71076","MoKα","","0.1023","0.0692","","","0.1564","0.1763","","","","","","1.037","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047430","15.447","0.0005","11.1229","0.0004","23.5679","0.0009","90","","106.343","0.001","90","","3885.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H84 Cu3 N6 O6 Pr -","- C87 H84 Cu3 N6 O6 Pr -","- C174 H168 Cu6 N12 O12 Pr2 -","2","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0342","0.033","","","0.071","0.0714","","","","","","1.158","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047431","15.5978","0.0005","10.9827","0.0004","24.0719","0.0008","90","","91.6974","0.0017","90","","4121.9","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C101 H103 N6 O6 Pr -","- C101 H103 N6 O6 Pr -","- C202 H206 N12 O12 Pr2 -","2","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.0363","0.0319","","","0.0761","0.0779","","","","","","1.034","","","","has coordinates,has disorder","229350","2020-10-21","18:00:00",""
"7047432","19.8683","0.0007","20.032","0.0007","21.055","0.0007","90","","90","","90","","8379.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H87 La N6 O6 -","- C87 H87 La N6 O6 -","- C348 H348 La4 N24 O24 -","4","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.1031","0.078","","","0.2161","0.2499","","","","","","1.048","","","","has coordinates","229350","2020-10-21","18:00:00",""
"7047433","16.4882","0.0004","10.665","0.0003","24.9547","0.0007","90","","90","","90","","4388.2","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl3 Cu N2 O3 -","- C21 H19 Cl3 Cu N2 O3 -","- C168 H152 Cl24 Cu8 N16 O24 -","8","1","","Barwiolek, Magdalena; Szlyk, Edward; Kozakiewicz, Anna; Muziol, Tadeusz; Bieńko, Alina; Jezierska, Julia","X-ray structure and magnetic and fluorescence characteristics of new Cu(ii) complexes with Schiff bases derived from 2-(2-aminoethyl)pyridine and 2-hydroxy-1-naphthaldehyde; morphology and fluorescence of their thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13902","13912","10.1039/c8dt03208d","","","0.71073","MoKα","","0.0556","0.0348","","","0.0798","0.0888","","","","","","1.038","","","","has coordinates,has disorder","229503","2020-10-21","18:00:00",""
"7047434","30.8","0.002","7.1636","0.0004","14.9571","0.0009","90","","96.322","0.006","90","","3280","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cu N3 O4 -","- C18 H15 Cu N3 O4 -","- C144 H120 Cu8 N24 O32 -","8","1","","Barwiolek, Magdalena; Szlyk, Edward; Kozakiewicz, Anna; Muziol, Tadeusz; Bieńko, Alina; Jezierska, Julia","X-ray structure and magnetic and fluorescence characteristics of new Cu(ii) complexes with Schiff bases derived from 2-(2-aminoethyl)pyridine and 2-hydroxy-1-naphthaldehyde; morphology and fluorescence of their thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13902","13912","10.1039/c8dt03208d","","","0.71073","MoKα","","0.0426","0.0313","","","0.0769","0.0838","","","","","","1.059","","","","has coordinates","229503","2020-10-21","18:00:00",""
"7047435","12.131","0.0004","8.8134","0.0003","29.6697","0.0014","90","","90","","90","","3172.1","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H15 Cl Cu N2 O -","- C18 H15 Cl Cu N2 O -","- C144 H120 Cl8 Cu8 N16 O8 -","8","2","","Barwiolek, Magdalena; Szlyk, Edward; Kozakiewicz, Anna; Muziol, Tadeusz; Bieńko, Alina; Jezierska, Julia","X-ray structure and magnetic and fluorescence characteristics of new Cu(ii) complexes with Schiff bases derived from 2-(2-aminoethyl)pyridine and 2-hydroxy-1-naphthaldehyde; morphology and fluorescence of their thin films.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13902","13912","10.1039/c8dt03208d","","","0.71073","MoKα","","0.0451","0.033","","","0.0804","0.088","","","","","","1.064","","","","has coordinates","229503","2020-10-21","18:00:00",""
"7047436","34.226","0.018","16.245","0.009","14.643","0.008","90","","99.029","0.01","90","","8041","8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 Cd N5 O4 -","- C23 H16 Cd N5 O4 -","- C184 H128 Cd8 N40 O32 -","8","1","","Zhang, Da-Shuai; Zhang, Yong-Zheng; Gao, Jun; Liu, Hui-Ling; Hu, Hui; Geng, Long-Long; Zhang, Xiuling; Li, Yun-Wu","Structure modulation from unstable to stable MOFs by regulating secondary N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14025","14032","10.1039/c8dt02858c","","","0.71073","MoKα","","0.0848","0.0455","","","0.1164","0.1319","","","","","","1","","","","has coordinates","229489","2020-10-21","18:00:00",""
"7047437","12.292","0.004","20.108","0.007","19.807","0.007","90","0.006","104.488","0.006","90","","4740","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H18 Cd N5 O4 -","- C24 H18 Cd N5 O4 -","- C96 H72 Cd4 N20 O16 -","4","1","","Zhang, Da-Shuai; Zhang, Yong-Zheng; Gao, Jun; Liu, Hui-Ling; Hu, Hui; Geng, Long-Long; Zhang, Xiuling; Li, Yun-Wu","Structure modulation from unstable to stable MOFs by regulating secondary N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14025","14032","10.1039/c8dt02858c","","","0.71069","MoKα","","0.0982","0.0569","","","0.1592","0.186","","","","","","0.956","","","","has coordinates","229489","2020-10-21","18:00:00",""
"7047438","17.889","0.001","22.857","0.002","9.176","0.003","90","","90","","90","","3752","1.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C45 H36 N10 O8 Zn2 -","- C45 H36 N10 O8 Zn2 -","- C90 H72 N20 O16 Zn4 -","2","0.5","","Zhang, Da-Shuai; Zhang, Yong-Zheng; Gao, Jun; Liu, Hui-Ling; Hu, Hui; Geng, Long-Long; Zhang, Xiuling; Li, Yun-Wu","Structure modulation from unstable to stable MOFs by regulating secondary N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14025","14032","10.1039/c8dt02858c","","","0.71073","MoKα","","0.0728","0.042","","","0.0877","0.0946","","","","","","0.834","","","","has coordinates","229489","2020-10-21","18:00:00",""
"7047439","11.733","0.004","19.916","0.006","20.326","0.007","95.447","0.006","102.611","0.005","95.538","0.006","4580","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H37 N10 O8 Zn2 -","- C48 H37 N10 O8 Zn2 -","- C96 H74 N20 O16 Zn4 -","2","1","","Zhang, Da-Shuai; Zhang, Yong-Zheng; Gao, Jun; Liu, Hui-Ling; Hu, Hui; Geng, Long-Long; Zhang, Xiuling; Li, Yun-Wu","Structure modulation from unstable to stable MOFs by regulating secondary N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14025","14032","10.1039/c8dt02858c","","","0.71069","MoKα","","0.1284","0.0511","","","0.1242","0.1478","","","","","","0.904","","","","has coordinates","229489","2020-10-21","18:00:00",""
"7047440","8.3483","0.0011","12.6991","0.0016","12.8859","0.0016","110.674","0.002","91.693","0.002","97.884","0.002","1261.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 Fe K N12 O7 -","- C18 H23 Fe K N12 O7 -","- C36 H46 Fe2 K2 N24 O14 -","2","1","","Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki","Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13402","13407","10.1039/c8dt02315h","","","0.71073","MoKα","","0.0662","0.0586","","","0.162","0.1695","","","","","","1.037","","","","has coordinates","230015","2020-10-21","18:00:00",""
"7047441","15.142","0.003","10.635","0.002","19.47","0.004","90","","90","","90","","3135.4","1.1","98","2","98","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C20 H25 Fe Gd N14 O11.5 -","- C20 H25 Fe Gd N14 O11.5 -","- C80 H100 Fe4 Gd4 N56 O46 -","4","0.5","","Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki","Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13402","13407","10.1039/c8dt02315h","","","0.71073","MoKα","","0.0896","0.0559","","","0.1277","0.1429","","","","","","1.101","","","","has coordinates","230015","2020-10-21","18:00:00",""
"7047442","7.096","0.002","12.045","0.004","13.365","0.005","75.886","0.004","83.782","0.005","75.639","0.004","1071.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Fe Mn0.5 N12 O4 -","- C18 H17 Fe Mn0.5 N12 O4 -","- C36 H34 Fe2 Mn N24 O8 -","2","1","","Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki","Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13402","13407","10.1039/c8dt02315h","","","0.71073","MoKα","","0.0948","0.0587","","","0.1122","0.1304","","","","","","1.022","","","","has coordinates","230015","2020-10-21","18:00:00",""
"7047443","7.036","0.003","12.005","0.004","13.309","0.005","76.13","0.004","83.693","0.004","75.671","0.005","1055.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Fe1.5 N12 O4 -","- C18 H17 Fe1.5 N12 O4 -","- C36 H34 Fe3 N24 O8 -","2","1","","Shiga, Takuya; Miyamoto, Haruka; Newton, Graham N.; Oshio, Hiroki","Two-electron redox-active tricyano iron(ii) complex with 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine as a building block for coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13402","13407","10.1039/c8dt02315h","","","0.71073","MoKα","","0.0517","0.0438","","","0.1229","0.1305","","","","","","0.953","","","","has coordinates","230015","2020-10-21","18:00:00",""
"7047444","16.1213","0.0006","8.9632","0.0003","25.9147","0.0007","90","","96.817","0.003","90","","3718.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H62 Cu2 N8 O15 -","- C64 H62 Cu2 N8 O15 -","- C128 H124 Cu4 N16 O30 -","2","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","1.54184","CuKα","","0.0725","0.0589","","","0.1623","0.1718","","","","","","1.02","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047445","6.5725","0.0005","10.1493","0.0007","31.853","0.002","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Mn N2 O9 -","- C20 H22 Mn N2 O9 -","- C80 H88 Mn4 N8 O36 -","4","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.0364","0.0303","","","0.0718","0.0747","","","","","","1.027","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047446","13.3695","0.0015","19.989","0.002","15.6098","0.0017","90","","96.395","0.004","90","","4145.7","0.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H63 Cu2 N8 O14 -","- C72 H63 Cu2 N8 O14 -","- C144 H126 Cu4 N16 O28 -","2","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.1375","0.0654","","","0.1616","0.2068","","","","","","0.98","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047447","6.3508","0.0009","10.4298","0.0014","31.772","0.004","90","","90","","90","","2104.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Co N2 O9 -","- C20 H22 Co N2 O9 -","- C80 H88 Co4 N8 O36 -","4","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.0583","0.0379","","","0.0698","0.0766","","","","","","1.016","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047448","42.4758","0.0009","13.9687","0.0003","23.1291","0.0006","90","","105.61","0.003","90","","13217.1","0.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8.84 H8.14 Cd0.18 N0.91 O1.96 -","- C8.84211 H8.14035 Cd0.175439 N0.912281 O1.96491 -","- C504 H464 Cd10 N52 O112 -","57","14.25","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","1.54184","CuKα","","0.1066","0.0922","","","0.2483","0.2636","","","","","","1.047","","","","has coordinates,has disorder","229492","2020-10-21","18:00:00",""
"7047449","8.8932","0.0016","15.015","0.002","15.167","0.002","65.588","0.011","87.938","0.013","74.661","0.013","1772.3","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 Ce O11 S -","- C35 H41 Ce O11 S -","- C70 H82 Ce2 O22 S2 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54184","CuKα","","0.1125","0.0668","","","0.1583","0.1952","","","","","","0.986","","","","has coordinates","230033","2020-10-21","18:00:00",""
"7047450","8.8882","0.0006","15.1063","0.0009","15.1815","0.0009","65.367","0.004","87.895","0.004","74.296","0.004","1777","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 Nd O11 S -","- C35 H41 Nd O11 S -","- C70 H82 Nd2 O22 S2 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54178","CuKα","","0.0716","0.052","","","0.1442","0.1761","","","","","","1.088","","","","has coordinates","230033","2020-10-21","18:00:00",""
"7047451","8.3946","0.0002","14.6797","0.0004","16.3326","0.0005","110.372","0.001","103.423","0.002","95.963","0.002","1797.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35.68 H41.68 Dy N0.68 O11 S0.32 -","- C35.68 H41.68 Dy N0.68 O11 S0.32 -","- C71.36 H83.36 Dy2 N1.36 O22 S0.64 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54178","CuKα","","0.037","0.0326","","","0.1049","0.109","","","","","","1.047","","","","has coordinates,has disorder","230033","2020-10-21","18:00:00",""
"7047452","8.432","0.005","14.743","0.009","16.443","0.011","110.89","0.02","103.676","0.016","95.403","0.014","1819","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35.6 H39.8 Er N0.6 O11 S0.4 -","- C35.6 H39.8 Er N0.6 O11 S0.4 -","- C71.2 H79.6 Er2 N1.2 O22 S0.8 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54184","CuKα","","0.0552","0.0444","","","0.1227","0.1334","","","","","","1.024","","","","has coordinates,has disorder","230033","2020-10-21","18:00:00",""
"7047453","9.0353","0.0003","15.278","0.0006","15.3738","0.0006","60.453","0.002","74.399","0.002","89.018","0.002","1761.24","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 N O11 Tb -","- C36 H42 N O11 Tb -","- C72 H84 N2 O22 Tb2 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54178","CuKα","","0.0359","0.0328","","","0.0975","0.1006","","","","","","1.094","","","","has coordinates,has disorder","230033","2020-10-21","18:00:00",""
"7047454","8.544","0.007","14.813","0.014","16.466","0.016","110.47","0.03","103.78","0.02","95.51","0.03","1859","3","250.1","","250.1","","","","","","","","","6","P -1","-P 1","2","","","","- C35.35 H40.3 Gd N0.35 O11 S0.65 -","- C35.35 H40.3 Gd N0.35 O11 S0.65 -","- C70.7 H80.6 Gd2 N0.7 O22 S1.3 -","2","1","","Zouzou, Amina; Beghidja, Adel; Long, Jérôme; Beghidja, Chahrazed; Gándara, Felipe; Guari, Yannick; Larionova, Joulia","Synthesis, structure and magnetic investigations of dinuclear lanthanide complexes based on 2-ethoxycinnamate.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13647","13656","10.1039/c8dt03020k","","","1.54184","CuKα","","0.0631","0.0491","","","0.1272","0.1379","","","","","","0.994","","","","has coordinates,has disorder","230033","2020-10-21","18:00:00",""
"7047455","9.2934","0.0019","11.622","0.002","13.674","0.003","65.73","0.03","80.57","0.03","74.82","0.03","1296.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Cl3 Ir N2 O -","- C24 H32 Cl3 Ir N2 O -","- C48 H64 Cl6 Ir2 N4 O2 -","2","1","","Zhang, Yujiao; Zhang, Shumiao; Tian, Zhenzhen; Li, Juanjuan; Xu, Zhishan; Li, Shanshan; Liu, Zhe","Phenoxide chelated Ir(iii) N-heterocyclic carbene complexes: synthesis, characterization, and evaluation of their in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13781","13787","10.1039/c8dt03159b","","","0.71073","MoKα","","0.0566","0.0475","","","0.1177","0.1213","","","","","","0.998","","","","has coordinates","229514","2020-10-21","18:00:00",""
"7047456","10.2202","0.0009","15.4052","0.0013","21.1662","0.0018","90","","95.978","0.001","90","","3314.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Cl Ir N2 O -","- C41 H36 Cl Ir N2 O -","- C164 H144 Cl4 Ir4 N8 O4 -","4","1","","Zhang, Yujiao; Zhang, Shumiao; Tian, Zhenzhen; Li, Juanjuan; Xu, Zhishan; Li, Shanshan; Liu, Zhe","Phenoxide chelated Ir(iii) N-heterocyclic carbene complexes: synthesis, characterization, and evaluation of their in vitro anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13781","13787","10.1039/c8dt03159b","","","0.71073","MoKα","","0.0708","0.0446","","","0.1046","0.1164","","","","","","1.023","","","","has coordinates","229514","2020-10-21","18:00:00",""
"7047457","7.3784","0.0004","17.6786","0.0007","10.3377","0.0005","90","","90.844","0.004","90","","1348.3","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O3 P Re -","- C11 H14 O3 P Re -","- C44 H56 O12 P4 Re4 -","4","1","","Muñoz-Osses, Michelle; Siegmund, Daniel; Gómez, Alejandra; Godoy, Fernando; Fierro, Angélica; Llanos, Leonel; Aravena, Daniel; Metzler-Nolte, Nils","Influence of the substituent on the phosphine ligand in novel rhenium(i) aldehydes. Synthesis, computational studies and first insights into the antiproliferative activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13861","13869","10.1039/c8dt03160f","","","0.71073","MoKα","","0.0472","0.0423","","","0.1091","0.1163","","","","","","1.105","","","","has coordinates","229504","2020-10-21","18:00:00",""
"7047458","14.6645","0.0006","10.3427","0.0005","16.0747","0.0008","90","","94.819","0.004","90","","2429.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 O3 P Re -","- C26 H38 O3 P Re -","- C104 H152 O12 P4 Re4 -","4","1","","Muñoz-Osses, Michelle; Siegmund, Daniel; Gómez, Alejandra; Godoy, Fernando; Fierro, Angélica; Llanos, Leonel; Aravena, Daniel; Metzler-Nolte, Nils","Influence of the substituent on the phosphine ligand in novel rhenium(i) aldehydes. Synthesis, computational studies and first insights into the antiproliferative activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13861","13869","10.1039/c8dt03160f","","","0.71073","MoKα","","0.0443","0.0345","","","0.0853","0.0942","","","","","","1.082","","","","has coordinates","229504","2020-10-21","18:00:00",""
"7047459","15.4865","0.0006","15.5796","0.0006","18.0757","0.0009","90","","90","","90","","4361.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 O3 P Re -","- C26 H20 O3 P Re -","- C208 H160 O24 P8 Re8 -","8","1","","Muñoz-Osses, Michelle; Siegmund, Daniel; Gómez, Alejandra; Godoy, Fernando; Fierro, Angélica; Llanos, Leonel; Aravena, Daniel; Metzler-Nolte, Nils","Influence of the substituent on the phosphine ligand in novel rhenium(i) aldehydes. Synthesis, computational studies and first insights into the antiproliferative activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13861","13869","10.1039/c8dt03160f","","","0.71073","MoKα","","0.038","0.0286","","","0.066","0.0739","","","","","","1.17","","","","has coordinates","229504","2020-10-21","18:00:00",""
"7047460","11.2061","0.0005","23.9366","0.0011","31.4661","0.0014","90","","90","","90","","8440.3","0.7","143","","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H111 Eu N6 O9 -","- C99 H111 Eu N6 O9 -","- C396 H444 Eu4 N24 O36 -","4","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.1959","0.0683","","","0.1196","0.1592","","","","","","0.956","","","","has coordinates","229488","2020-10-21","18:00:00",""
"7047461","15.2602","0.0007","11.2695","0.0005","23.5329","0.001","90","","106.51","0.002","90","","3880.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","- C181 H176 Cu6 Eu2 N12 O12 -","1","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0624","0.0581","","","0.1561","0.1586","","","","","","1.033","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047462","15.565","0.013","11.095","0.008","23.637","0.013","90","","106.22","0.03","90","","3919","5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","- C181 H176 Cu6 La2 N12 O12 -","1","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71076","MoKα","","0.1023","0.0692","","","0.1564","0.1763","","","","","","1.037","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047463","15.447","0.0005","11.1229","0.0004","23.5679","0.0009","90","","106.343","0.001","90","","3885.7","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H84 Cu3 N6 O6 Pr -","- C87 H84 Cu3 N6 O6 Pr -","- C174 H168 Cu6 N12 O12 Pr2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0342","0.033","","","0.071","0.0714","","","","","","1.158","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047464","15.5978","0.0005","10.9827","0.0004","24.0719","0.0008","90","","91.6974","0.0017","90","","4121.9","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C101 H103 N6 O6 Pr -","- C101 H103 N6 O6 Pr -","- C202 H206 N12 O12 Pr2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0363","0.0319","","","0.0761","0.0779","","","","","","1.034","","","","has coordinates,has disorder","229488","2020-10-21","18:00:00",""
"7047465","19.8683","0.0007","20.032","0.0007","21.055","0.0007","90","","90","","90","","8379.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H87 La N6 O6 -","- C87 H87 La N6 O6 -","- C348 H348 La4 N24 O24 -","4","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.1031","0.078","","","0.2161","0.2499","","","","","","1.048","","","","has coordinates","229488","2020-10-21","18:00:00",""
"7047466","10.4567","0.0005","10.5827","0.0005","20.0128","0.0009","78.364","0.004","87.397","0.004","61.049","0.005","1894.52","0.18","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H69 La -","- C39 H69 La -","- C78 H138 La2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0523","0.0388","","","0.0692","0.0734","","","","","","1.082","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047467","10.4209","0.0008","10.5363","0.0006","20.0361","0.0015","78.174","0.006","87.186","0.006","61.117","0.007","1882.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H69 Pr -","- C39 H69 Pr -","- C78 H138 Pr2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0451","0.0361","","","0.0652","0.0685","","","","","","1.062","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047468","10.10986","0.00014","20.1309","0.0002","22.7725","0.0002","90","","90","","90","","4634.67","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Y2 -","- C47 H82 O2 Y2 -","- C188 H328 O8 Y8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0281","0.025","","","0.0601","0.0619","","","","","","1.027","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047469","10.4084","0.0004","10.5181","0.0004","20.0441","0.0005","78.116","0.003","87.094","0.003","61.1","0.004","1876.85","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H69 Nd -","- C39 H69 Nd -","- C78 H138 Nd2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0369","0.0291","","","0.0547","0.057","","","","","","1.09","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047470","9.8002","0.0004","14.2312","0.0006","23.3058","0.0008","88.589","0.003","79.93","0.003","71.121","0.004","3026.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 Eu O -","- C30 H54 Eu O -","- C120 H216 Eu4 O4 -","4","2","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0542","0.0341","","","0.0532","0.0582","","","","","","1.054","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047471","9.4134","0.0003","19.5281","0.0006","10.0081","0.0004","90","","114.22","0.004","90","","1677.81","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H62 O2 Sm -","- C34 H62 O2 Sm -","- C68 H124 O4 Sm2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0376","0.0288","","","0.0546","0.0581","","","","","","1.048","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047472","10.4528","0.0002","10.5711","0.0003","20.0614","0.0007","78.275","0.003","87.254","0.003","61.08","0.004","1896.53","0.12","130","2","130","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H69 Ce -","- C39 H69 Ce -","- C78 H138 Ce2 -","2","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.04","0.0315","","","0.0611","0.0642","","","","","","1.059","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047473","10.0804","0.0003","20.1583","0.0006","22.4603","0.0007","90","","90","","90","","4564","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Lu2 O2 -","- C47 H82 Lu2 O2 -","- C188 H328 Lu8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0393","0.0329","","","0.0752","0.0787","","","","","","1.026","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047474","10.1181","0.0005","20.1122","0.0009","22.9975","0.001","90","","90","","90","","4679.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Gd2 O2 -","- C47 H82 Gd2 O2 -","- C188 H328 Gd8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0473","0.0398","","","0.0796","0.0831","","","","","","1.023","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047475","10.0818","0.0002","20.127","0.0004","22.62","0.0004","90","","90","","90","","4589.97","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Er2 O2 -","- C47 H82 Er2 O2 -","- C188 H328 Er8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0319","0.0253","","","0.045","0.047","","","","","","1.093","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047476","10.0948","0.0006","20.1399","0.0008","22.7545","0.0009","90","","90","","90","","4626.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Ho2 O2 -","- C47 H82 Ho2 O2 -","- C188 H328 Ho8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0523","0.0417","","","0.0901","0.095","","","","","","1.048","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047477","10.0795","0.0002","20.1224","0.0003","22.5603","0.0004","90","","90","","90","","4575.76","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Tm2 -","- C47 H82 O2 Tm2 -","- C188 H328 O8 Tm8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0324","0.0262","","","0.0539","0.0564","","","","","","1.106","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047478","10.0863","0.00014","20.113","0.0002","22.8082","0.0003","90","","90","","90","","4627","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Dy2 O2 -","- C47 H82 Dy2 O2 -","- C188 H328 Dy8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0283","0.0254","","","0.0596","0.0611","","","","","","1.028","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047479","9.8991","0.0002","21.6891","0.0003","14.3974","0.0003","90","","105.345","0.002","90","","2980.96","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 O Yb -","- C30 H54 O Yb -","- C120 H216 O4 Yb4 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0337","0.0269","","","0.0555","0.0577","","","","","","1.125","","","","has coordinates","229352","2020-10-21","18:00:00",""
"7047480","10.1015","0.0003","20.1033","0.0006","22.8992","0.0007","90","","90","","90","","4650.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Tb2 -","- C47 H82 O2 Tb2 -","- C188 H328 O8 Tb8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0428","0.033","","","0.0703","0.0747","","","","","","1.049","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047481","10.09676","0.00006","20.06909","0.0001","22.20033","0.00015","90","","90","","90","","4498.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Sc2 -","- C47 H82 O2 Sc2 -","- C188 H328 O8 Sc8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0292","0.0282","","","0.073","0.0739","","","","","","1.031","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047482","14.1747","0.0004","17.761","0.0005","19.7781","0.0006","94.068","0.002","103.151","0.002","102.989","0.002","4685.4","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C12 H160 N6 Na6 O172 P6 Sb2 W28 Zr4 -","- C12 H48 N6 Na6 O146 P6 Sb2 W28 Zr4 -","- C12 H48 N6 Na6 O146 P6 Sb2 W28 Zr4 -","1","0.5","","Li, Hai-Lou; Wang, Yue-Lin; Zhang, Zhong; Yang, Bai-Feng; Yang, Guo-Yu","A new tetra-Zr(iv)-substituted polyoxotungstate aggregate.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14017","14024","10.1039/c8dt03317j","","","0.71073","MoKα","","0.0744","0.0456","","","0.1096","0.1235","","","","","","1.029","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047483","11.003","0.003","11.928","0.003","20.713","0.005","88.331","0.004","85.495","0.004","81.207","0.004","2677.8","1.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Co2 Mo5 N16 O22 P2 -","- C36 H34 Co2 Mo5 N16 O22 P2 -","- C72 H68 Co4 Mo10 N32 O44 P4 -","2","1","","Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Sang, Xiao-Jing; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Three new Strandberg-type phenylphosphomolybdate supports for immobilizing horseradish peroxidase and their catalytic oxidation performances.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14060","14069","10.1039/c8dt03102a","","","0.71073","MoKα","","0.0421","0.0312","","","0.069","0.0736","","","","","","1.022","","","","has coordinates","229507","2020-10-21","18:00:00",""
"7047484","11.0845","0.0013","12.1769","0.0014","20.175","0.002","87.969","0.002","84.79","0.002","80.001","0.002","2670.1","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 Cu2 Mo5 N16 O22 P2 -","- C36 H34 Cu2 Mo5 N16 O22 P2 -","- C72 H68 Cu4 Mo10 N32 O44 P4 -","2","1","","Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Sang, Xiao-Jing; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Three new Strandberg-type phenylphosphomolybdate supports for immobilizing horseradish peroxidase and their catalytic oxidation performances.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14060","14069","10.1039/c8dt03102a","","","0.71073","MoKα","","0.1182","0.0558","","","0.1102","0.1382","","","","","","0.954","","","","has coordinates","229507","2020-10-21","18:00:00",""
"7047485","12.4183","0.0007","23.7476","0.0013","23.7197","0.0013","90","","93.666","0.001","90","","6980.7","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Mo5 N24 Ni2 O23 P2 -","- C48 H46 Mo5 N24 Ni2 O23 P2 -","- C192 H184 Mo20 N96 Ni8 O92 P8 -","4","1","","Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Sang, Xiao-Jing; Zhang, Lan-Cui; You, Wan-Sheng; Zhu, Zai-Ming","Three new Strandberg-type phenylphosphomolybdate supports for immobilizing horseradish peroxidase and their catalytic oxidation performances.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14060","14069","10.1039/c8dt03102a","","","0.71073","MoKα","","0.0861","0.0429","","","0.0865","0.1035","","","","","","1.007","","","","has coordinates,has disorder","229507","2020-10-21","18:00:00",""
"7047486","32.9703","0.0004","15.48579","0.00016","29.9766","0.0004","90","","93.7902","0.0011","90","","15271.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 P6 Pd4 S3 -","- C72 H60 P6 Pd4 S3 -","- C576 H480 P48 Pd32 S24 -","8","1","","Chai, Jinkui; Tian, Rongqiang; Wu, Di; Wei, Donghui; Xu, Qun; Duan, Zheng; Mathey, François","The coordination chemistry of phosphinidene sulfides. Synthesis and catalytic properties of Pd<sub>4</sub> and Pt<sub>4</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13342","13344","10.1039/c8dt02648c","","x-ray","0.71073","MoKα","","0.0485","0.0361","","","0.0887","0.0937","","","","","","1.038","","","","has coordinates","230030","2020-10-21","18:00:00",""
"7047487","15.0406","0.0003","15.4322","0.0003","18.0802","0.0004","67.5107","0.0019","79.6002","0.0017","78.1335","0.0017","3770.42","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 P6 Pt4 S3 -","- C72 H60 P6 Pt4 S3 -","- C144 H120 P12 Pt8 S6 -","2","1","","Chai, Jinkui; Tian, Rongqiang; Wu, Di; Wei, Donghui; Xu, Qun; Duan, Zheng; Mathey, François","The coordination chemistry of phosphinidene sulfides. Synthesis and catalytic properties of Pd<sub>4</sub> and Pt<sub>4</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13342","13344","10.1039/c8dt02648c","","","1.54184","CuKα","","0.042","0.0353","","","0.092","0.0961","","","","","","1.04","","","","has coordinates","230030","2020-10-21","18:00:00",""
"7047488","16.0071","0.0006","27.782","0.0009","17.525","0.0006","90","","113.968","0.004","90","","7121.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C139 H128 Cl2 N6 P12 Pd8 S6 -","- C139 H128 Cl2 N6 P12 Pd8 S6 -","- C278 H256 Cl4 N12 P24 Pd16 S12 -","2","0.5","","Chai, Jinkui; Tian, Rongqiang; Wu, Di; Wei, Donghui; Xu, Qun; Duan, Zheng; Mathey, François","The coordination chemistry of phosphinidene sulfides. Synthesis and catalytic properties of Pd<sub>4</sub> and Pt<sub>4</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13342","13344","10.1039/c8dt02648c","","x-ray","1.54184","CuKα","","0.0767","0.0529","","","0.1377","0.1549","","","","","","1.038","","","","has coordinates","230030","2020-10-21","18:00:00",""
"7047489","15.607","0.0003","27.8868","0.0003","17.6155","0.0003","90","","112.931","0.002","90","","7060.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 P6 Pd4 S6 -","- C66 H54 P6 Pd4 S6 -","- C264 H216 P24 Pd16 S24 -","4","1","","Chai, Jinkui; Tian, Rongqiang; Wu, Di; Wei, Donghui; Xu, Qun; Duan, Zheng; Mathey, François","The coordination chemistry of phosphinidene sulfides. Synthesis and catalytic properties of Pd<sub>4</sub> and Pt<sub>4</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13342","13344","10.1039/c8dt02648c","","x-ray","0.71073","MoKα","","0.0494","0.0371","","","0.0854","0.0906","","","","","","1.045","","","","has coordinates,has disorder","230030","2020-10-21","18:00:00",""
"7047490","18.3662","0.0007","20.5801","0.001","22.5688","0.0009","90","","99.653","0.002","90","","8409.7","0.6","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-1","","- C74 H79 N5 O29 Yb2 Zn2 -","- C74 H79 N5 O29 Yb2 Zn2 -","- C296 H316 N20 O116 Yb8 Zn8 -","4","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Shi, Dongliang; Zhang, Lijie","Construction of NIR luminescent polynuclear lanthanide-based nanoclusters with sensing properties towards metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13880","13886","10.1039/c8dt03308k","","","0.71073","MoKα","","0.1453","0.0984","","","0.2176","0.2301","","","","","","1.034","","","","has coordinates","229493","2020-10-21","18:00:00",""
"7047491","17.507","0.003","19.363","0.004","19.653","0.004","78.706","0.004","83.405","0.004","75.547","0.004","6311","2","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-3","","- C86 H109 N3 O56 Yb9 -","- C86 H109 N3 O56 Yb9 -","- C172 H218 N6 O112 Yb18 -","2","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Shi, Dongliang; Zhang, Lijie","Construction of NIR luminescent polynuclear lanthanide-based nanoclusters with sensing properties towards metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13880","13886","10.1039/c8dt03308k","","","0.71073","MoKα","","0.128","0.0765","","","0.2172","0.3175","","","","","","1.161","","","","has coordinates","229493","2020-10-21","18:00:00",""
"7047492","18.4138","0.0006","20.8671","0.0008","22.3967","0.0009","90","","100.928","0.002","90","","8449.7","0.5","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-2","","- C68 H62 Er2 N4 O25 Zn2 -","- C68 H62 Er2 N4 O25 Zn2 -","- C272 H248 Er8 N16 O100 Zn8 -","4","1","","Chen, Hongfen; Yang, Xiaoping; Jiang, Dongmei; Shi, Dongliang; Zhang, Lijie","Construction of NIR luminescent polynuclear lanthanide-based nanoclusters with sensing properties towards metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13880","13886","10.1039/c8dt03308k","","","0.71073","MoKα","","0.2123","0.0989","","","0.2006","0.2399","","","","","","1.17","","","","has coordinates","229493","2020-10-21","18:00:00",""
"7047493","18.6183","0.0004","11.7709","0.0002","17.3349","0.0002","90","","107.923","0.002","90","","3614.65","0.11","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 N2 O10 Ru3 -","- C36 H32 N2 O10 Ru3 -","- C144 H128 N8 O40 Ru12 -","4","0.5","","Singh, Ajeet; Mobin, Shaikh M.; Mathur, Pradeep","Preparation of the Ru<sub>3</sub>(CO)<sub>8</sub>-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14033","14040","10.1039/c8dt02972e","","","0.71073","MoKα","","0.0268","0.0255","","","0.065","0.0661","","","","","","1.052","","","","has coordinates","229501","2020-10-21","18:00:00",""
"7047494","10.5526","0.0002","14.8131","0.0003","16.8846","0.0004","90","","93.161","0.002","90","","2635.33","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O10 Ru3 -","- C22 H16 N2 O10 Ru3 -","- C88 H64 N8 O40 Ru12 -","4","1","","Singh, Ajeet; Mobin, Shaikh M.; Mathur, Pradeep","Preparation of the Ru<sub>3</sub>(CO)<sub>8</sub>-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14033","14040","10.1039/c8dt02972e","","","0.71073","MoKα","","0.0314","0.0264","","","0.0658","0.0696","","","","","","1.059","","","","has coordinates","229501","2020-10-21","18:00:00",""
"7047495","10.5934","0.0007","13.4587","0.0009","18.756","0.0011","90","","97.916","0.007","90","","2648.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O12 Ru3 -","- C22 H16 N2 O12 Ru3 -","- C88 H64 N8 O48 Ru12 -","4","1","","Singh, Ajeet; Mobin, Shaikh M.; Mathur, Pradeep","Preparation of the Ru<sub>3</sub>(CO)<sub>8</sub>-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14033","14040","10.1039/c8dt02972e","","","0.71073","MoKα","","0.183","0.065","","","0.1078","0.153","","","","","","1.001","","","","has coordinates","229501","2020-10-21","18:00:00",""
"7047496","9.941","0.0006","9.9539","0.0008","14.4372","0.001","89.273","0.006","76.892","0.006","81.27","0.006","1374.89","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O10 Ru3 -","- C24 H20 N2 O10 Ru3 -","- C48 H40 N4 O20 Ru6 -","2","1","","Singh, Ajeet; Mobin, Shaikh M.; Mathur, Pradeep","Preparation of the Ru<sub>3</sub>(CO)<sub>8</sub>-pyridine-alcohol cluster and its use for the selective catalytic transformation of primary to secondary amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14033","14040","10.1039/c8dt02972e","","","0.71073","MoKα","","0.0504","0.0379","","","0.0838","0.0932","","","","","","1.147","","","","has coordinates,has disorder","229501","2020-10-21","18:00:00",""
"7047497","27.854","0.002","18.5533","0.0009","21.3203","0.0012","90","","107.399","0.007","90","","10513.9","1.2","119.97","0.1","119.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 B Li N O2 -","- C38 H55 B Li N O2 -","- C456 H660 B12 Li12 N12 O24 -","12","3","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","x-ray","0.71073","MoKα","","0.2397","0.1441","","","0.365","0.4063","","","","","","1.039","","","","has coordinates","229336","2020-10-21","18:00:00",""
"7047498","12.418","0.007","12.623","0.007","13.822","0.007","68.521","0.012","66.763","0.011","88.97","0.012","1832.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H49 B N P -","- C42 H49 B N P -","- C84 H98 B2 N2 P2 -","2","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","x-ray","0.71073","MoKα","","0.1074","0.0684","","","0.1568","0.1848","","","","","","1.037","","","","has coordinates,has disorder","229336","2020-10-21","18:00:00",""
"7047499","9.18","0.003","13.123","0.004","14.146","0.004","99.984","0.006","99.791","0.006","93.044","0.008","1647.9","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H46 B Cl3 N Si -","- C33 H46 B Cl3 N Si -","- C66 H92 B2 Cl6 N2 Si2 -","2","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","x-ray","0.71073","MoKα","","0.115","0.0625","","","0.1476","0.1694","","","","","","1.094","","","","has coordinates","229336","2020-10-21","18:00:00",""
"7047500","17.03","0.002","10.4822","0.0013","16.225","0.002","90","","90","","90","","2896.4","0.6","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C31 H43 B Cl N Si -","- C31 H43 B Cl N Si -","- C124 H172 B4 Cl4 N4 Si4 -","4","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","","0.71073","MoKα","","0.041","0.0335","","","0.0815","0.0854","","","","","","1.036","","","","has coordinates,has disorder","229336","2020-10-21","18:00:00",""
"7047501","8.626","0.008","21.45","0.02","13.699","0.014","90","","91.66","0.016","90","","2534","4","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 B N -","- C30 H40 B N -","- C120 H160 B4 N4 -","4","1","","Dhara, Debabrata; Vijayakanth, Thangavel; Nayak, Mithilesh Kumar; Kalita, Pankaj; Boomishankar, Ramamoorthy; Yildiz, Cem Burak; Chandrasekhar, Vadapalli; Jana, Anukul","Contrasting reactivity of (boryl)(aryl)lithium-amide with electrophiles: N- vs. p-aryl-C-nucleophilic substitution.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14411","14415","10.1039/c8dt03201g","","x-ray","0.71073","MoKα","","0.0876","0.0555","","","0.1328","0.1637","","","","","","1.082","","","","has coordinates","229336","2020-10-21","18:00:00",""
"7047502","5.131","0.008","5.131","0.008","5.486","0.011","90","","90","","120","","125.1","0.4","296","2","296","2","","","","","","","","4","P 3 1 m","P 3 -2","157","","","","- Ge O6 Pb Te -","- Ge O6 Pb Te -","- Ge O6 Pb Te -","1","0.166667","","Jia, Zhen; Jiang, Xingxing; Lin, Zheshuai; Xia, Mingjun","PbTeGeO<sub>6</sub>: polar rosiaite-type germanate featuring a two dimensional layered structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16388","16392","10.1039/c8dt03136c","","","0.71073","MoKα","","0.0254","0.0244","","","0.0615","0.0622","","","","","","1.153","","","","has coordinates","229638","2020-10-21","18:00:00",""
"7047505","10.2171","0.0002","12.1118","0.0004","18.2907","0.0004","103.202","0.002","92.406","0.001","113.931","0.001","1990.99","0.09","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 B2 Cl N9 Sc -","- C43 H41 B2 Cl N9 Sc -","- C86 H82 B4 Cl2 N18 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","1.54178","CuKα","","0.0989","0.079","","","0.2289","0.2498","","","","","","1.024","","","","has coordinates","230010","2020-10-21","18:00:00",""
"7047506","13.86","0.004","14.896","0.005","15.506","0.005","90","","90","","90","","3201.3","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 B2 N9 O2 Sc -","- C33 H32 B2 N9 O2 Sc -","- C132 H128 B8 N36 O8 Sc4 -","4","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.1389","0.0646","","","0.1149","0.1452","","","","","","1.013","","","","has coordinates","230010","2020-10-21","18:00:00",""
"7047507","10.2075","0.0009","11.9288","0.001","18.5503","0.0016","104.426","0.004","92.714","0.005","112.543","0.004","1994.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 B2 N9 Sc -","- C44 H44 B2 N9 Sc -","- C88 H88 B4 N18 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.0647","0.0421","","","0.0972","0.1095","","","","","","1.034","","","","has coordinates","230010","2020-10-21","18:00:00",""
"7047508","12.9337","0.0007","13.0637","0.0005","13.3321","0.0007","67.293","0.002","82.797","0.003","75.727","0.002","2012.72","0.17","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 B2 N9 O2 Sc -","- C44 H42 B2 N9 O2 Sc -","- C88 H84 B4 N18 O4 Sc2 -","2","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.0827","0.0548","","","0.1385","0.1569","","","","","","1.016","","","","has coordinates,has disorder","230010","2020-10-21","18:00:00",""
"7047509","36.353","0.004","12.6079","0.0014","30.349","0.003","90","","116.768","0.003","90","","12419","2","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 B3 F15 N9 O3 Sc Si2 -","- C56 H48 B3 F15 N9 O3 Sc Si2 -","- C448 H384 B24 F120 N72 O24 Sc8 Si16 -","8","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.0937","0.0533","","","0.1236","0.1482","","","","","","1.016","","","","has coordinates,has disorder","230010","2020-10-21","18:00:00",""
"7047510","17.2544","0.0003","11.7447","0.0002","15.364","0.0002","90","","104.355","0.001","90","","3016.27","0.08","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C62 H58 B4 N18 O Sc2 -","- C62 H58 B4 N18 O Sc2 -","- C124 H116 B8 N36 O2 Sc4 -","2","0.5","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","1.54178","CuKα","","0.0554","0.0471","","","0.1291","0.1355","","","","","","1.059","","","","has coordinates","230010","2020-10-21","18:00:00",""
"7047511","39.5534","0.0015","8.3472","0.0003","27.4331","0.0009","90","","126.713","0.002","90","","7260.7","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 B2 N9 Sc Si -","- C35 H40 B2 N9 Sc Si -","- C280 H320 B16 N72 Sc8 Si8 -","8","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.0595","0.0402","","","0.0956","0.1124","","","","","","1.025","","","","has coordinates,has disorder","230010","2020-10-21","18:00:00",""
"7047512","14.8138","0.0007","16.1445","0.0008","23.8662","0.0011","98.27","0.003","92.777","0.002","97.551","0.003","5586.3","0.5","100","2","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H132 Fe2 N4 O6 -","- C96 H132 Fe2 N4 O6 -","- C192 H264 Fe4 N8 O12 -","2","1","","Weeraratne, A. D. K. Isuri; Baydoun, Habib; Shakya, Rajendra; Niklas, Jens; Xie, Lingxiao; Mao, Guangzhao; Stoian, Sebastian A.; Poluektov, Oleg G.; Verani, Cláudio N","Observation of current rectification by the new bimetallic iron(iii) hydrophobe [Fe(L<sup>N4O6</sup>)] on Au|LB-molecule|Au devices.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14352","14361","10.1039/c8dt03158d","","x-ray","0.71073","MoKα","","0.1138","0.0693","","","0.1765","0.203","","","","","","1.042","","","","has coordinates,has disorder","229733","2020-10-21","18:00:00",""
"7047513","18.0076","0.0002","13.3691","0.0002","26.8619","0.0003","90","","98.503","0.001","90","","6395.8","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H80 Au Cl F5.5 P3 -","- C54 H69 Au Cl P3 -","- C216 H276 Au4 Cl4 P12 -","4","1","","Hoy, Reinhard; Lönnecke, Peter; Hey-Hawkins, Evamarie","Selective formation of a two-dimensional coordination polymer based on a tridentate phospholane ligand and gold(i).","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14515","14520","10.1039/c8dt03630f","","","0.71073","MoKα","","0.0697","0.0434","","","0.0982","0.1075","","","","","","1.032","","","","has coordinates,has disorder","229339","2020-10-21","18:00:00",""
"7047514","28.61","0.0008","15.5871","0.0003","16.219","0.0003","90","","96.537","0.002","90","","7185.8","0.3","130","2","130","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H45 Br3 -","- C42 H45 Br3 -","- C336 H360 Br24 -","8","1","","Hoy, Reinhard; Lönnecke, Peter; Hey-Hawkins, Evamarie","Selective formation of a two-dimensional coordination polymer based on a tridentate phospholane ligand and gold(i).","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14515","14520","10.1039/c8dt03630f","","","0.71073","MoKα","","0.0928","0.0447","","","0.1","0.1237","","","","","","1.014","","","","has coordinates","229339","2020-10-21","18:00:00",""
"7047515","10.4753","0.0007","14.5642","0.0005","14.8464","0.0005","68.842","0.003","81.757","0.004","87.126","0.004","2090.52","0.18","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H37 Cd1.12 Co0.38 N2 O8 -","- C37 H37 Cd1.125 Co0.375 N2 O8 -","- C74 H74 Cd2.25 Co0.75 N4 O16 -","2","1","","Chao, Meng-Yao; Chen, Jing; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Smoothing the single-crystal to single-crystal conversions of a two-dimensional metal-organic framework via the hetero-metal doping of the linear trimetallic secondary building unit.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13722","13729","10.1039/c8dt02813c","","","0.71073","MoKα","","0.1221","0.0608","","","0.1449","0.1813","","","","","","1.015","","","","has coordinates,has disorder","230036","2020-10-21","18:00:00",""
"7047516","16.367","0.003","16.829","0.003","18.46","0.004","71.71","0.005","68.562","0.005","63.287","0.004","4158.8","1.4","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H46 Cd2.25 Co0.75 N3 O14 -","- C69 H46 Cd2.25 Co0.75 N3 O14 -","- C138 H92 Cd4.5 Co1.5 N6 O28 -","2","1","","Chao, Meng-Yao; Chen, Jing; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Smoothing the single-crystal to single-crystal conversions of a two-dimensional metal-organic framework via the hetero-metal doping of the linear trimetallic secondary building unit.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13722","13729","10.1039/c8dt02813c","","","0.71073","MoKα","","0.186","0.1269","","","0.271","0.3098","","","","","","1.091","","","","has coordinates,has disorder","230036","2020-10-21","18:00:00",""
"7047517","12.014","0.002","13.99","0.003","14.403","0.003","69.483","0.005","84.342","0.006","79.643","0.005","2228.6","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H23 Cd1.12 Co0.38 N2 O6 S -","- C37 H23 Cd1.125 Co0.375 N2 O6 S -","- C74 H46 Cd2.25 Co0.75 N4 O12 S2 -","2","1","","Chao, Meng-Yao; Chen, Jing; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Smoothing the single-crystal to single-crystal conversions of a two-dimensional metal-organic framework via the hetero-metal doping of the linear trimetallic secondary building unit.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13722","13729","10.1039/c8dt02813c","","","0.71073","MoKα","","0.1532","0.0979","","","0.2483","0.298","","","","","","1.089","","","","has coordinates","230036","2020-10-21","18:00:00",""
"7047518","13.029","0.003","16.264","0.003","16.856","0.004","116.369","0.005","105.982","0.005","98.879","0.005","2913.5","1.1","248","2","248","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H23 Cd1.12 Co0.38 N2 O6 S2 -","- C37 H23 Cd1.125 Co0.375 N2 O6 S2 -","- C74 H46 Cd2.25 Co0.75 N4 O12 S4 -","2","1","","Chao, Meng-Yao; Chen, Jing; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Smoothing the single-crystal to single-crystal conversions of a two-dimensional metal-organic framework via the hetero-metal doping of the linear trimetallic secondary building unit.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13722","13729","10.1039/c8dt02813c","","","0.71073","MoKα","","0.1497","0.0983","","","0.2181","0.2578","","","","","","1.061","","","","has coordinates,has disorder","230036","2020-10-21","18:00:00",""
"7047519","21.956","0.007","10.8039","0.0009","18.984","0.009","90","","119.63","0.04","90","","3914","3","100","2","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 B2 N2 O2 -","- C54 H38 B2 N2 O2 -","- C216 H152 B8 N8 O8 -","4","0.5","","Urban, Mateusz; Górka, Patrycja; Nawara, Krzysztof; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","The effect of conformational isomerism on the optical properties of bis(8-oxyquinolato) diboron complexes with a 2,2'-biphenyl backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15670","15684","10.1039/c8dt03197e","","x-ray","1.54184","CuKα","","0.1302","0.0722","","","0.1832","0.2347","","","","","","1.023","","","","has coordinates","229273","2020-10-21","18:00:00",""
"7047520","11.4963","0.0002","11.8442","0.0002","15.9638","0.0003","77.924","0.002","76.456","0.002","81.249","0.002","2054.29","0.07","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","2,2'-(perfluoro-[1,1'-biphenyl]-2,2'-diyl)bis(2-([1,1'-biphenyl]-2-yl)-2H-2l4,3l4-[1,3,2]oxazaborolo[5,4,3-ij]quinoline)","","- C54 H30 B2 F8 N2 O2 -","- C54 H30 B2 F8 N2 O2 -","- C108 H60 B4 F16 N4 O4 -","2","1","","Urban, Mateusz; Górka, Patrycja; Nawara, Krzysztof; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","The effect of conformational isomerism on the optical properties of bis(8-oxyquinolato) diboron complexes with a 2,2'-biphenyl backbone.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15670","15684","10.1039/c8dt03197e","","x-ray","1.54184","CuKα","","0.0417","0.0346","","","0.0887","0.0935","","","","","","1.03","","","","has coordinates","229273","2020-10-21","18:00:00",""
"7047521","22.987","0.007","12.635","0.003","19.051","0.005","90","","124.699","0.011","90","","4549","2","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 Cd N5 O18 -","- C33 H23 Cd N5 O6 -","- C132 H92 Cd4 N20 O24 -","4","0.5","","Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev","Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14686","14695","10.1039/c8dt01956h","","","0.71073","MoKα","","0.1142","0.1031","","","0.2545","0.2608","","","","","","1.113","","","","has coordinates","229354","2020-10-21","18:00:00",""
"7047522","18.5144","0.0018","13.2579","0.0013","18.8316","0.0018","90","","105.277","0.009","90","","4459.1","0.8","100","2","100","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C33 H47 N5 O18 Zn -","- C33 H23 N5 O6 Zn -","- C132 H92 N20 O24 Zn4 -","4","0.5","","Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev","Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14686","14695","10.1039/c8dt01956h","","","0.71073","MoKα","","0.1808","0.1077","","","0.282","0.3225","","","","","","1.041","","","","has coordinates","229354","2020-10-21","18:00:00",""
"7047523","14.3557","0.0009","24.1536","0.0015","33.691","0.002","90","","90","","90","","11682.1","1.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H109 Cd3 N15 O38 -","- C99 H75 Cd3 N15 O26 -","- C396 H300 Cd12 N60 O104 -","4","1","","Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev","Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14686","14695","10.1039/c8dt01956h","","","0.71073","MoKα","","0.0648","0.0548","","","0.1439","0.1554","","","","","","1.084","","","","has coordinates","229354","2020-10-21","18:00:00",""
"7047524","14.5619","0.0004","6.476","0.0002","7.4973","0.0002","90","","95.469","0.003","90","","703.8","0.03","100","0.1","100","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C3 H8 Cu N3 O4 -","- C3 H6 Cu N3 O3 -","- C12 H24 Cu4 N12 O12 -","4","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Niknam Shahrak, Mahdi; Majcher, Anna M.","Developing a magnetic metal organic framework of copper bearing a mixed azido/butane-1,4-dicarboxylate bridge: magnetic and gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13849","13860","10.1039/c8dt02986e","","","1.54184","CuKα","","0.0246","0.0242","","","0.0654","0.0657","","","","","","1.097","","","","has coordinates","229511","2020-10-21","18:00:00",""
"7047525","6.6676","0.0003","10.1303","0.0005","13.8039","0.0006","74.983","0.004","78.546","0.004","83.143","0.004","880.33","0.07","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14.41 Dy N2 O11.7 -","- C16 H14.4 Dy N2 O11.7 -","- C32 H28.8 Dy2 N4 O23.4 -","2","1","","Castells-Gil, Javier; Baldoví, José J; Martí-Gastaldo, Carlos; Mínguez Espallargas, Guillermo","Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14734","14740","10.1039/c8dt03421d","","x-ray","0.71073","MoKα","","0.029","0.0262","","","0.0557","0.0573","","","","","","1.071","","","","has coordinates,has disorder","229340","2020-10-21","18:00:00",""
"7047526","7.1771","0.0002","9.083","0.0003","13.2629","0.0004","109.487","0.003","90.285","0.002","92.121","0.003","814.38","0.05","119.9","0.3","119.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10.52 Dy N2 O9.76 -","- C16 H10.52 Dy N2 O9.76 -","- C32 H21.04 Dy2 N4 O19.52 -","2","1","","Castells-Gil, Javier; Baldoví, José J; Martí-Gastaldo, Carlos; Mínguez Espallargas, Guillermo","Implementation of slow magnetic relaxation in a SIM-MOF through a structural rearrangement.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14734","14740","10.1039/c8dt03421d","","x-ray","0.71073","MoKα","","0.0478","0.0385","","","0.0766","0.0806","","","","","","1.046","","","","has coordinates,has disorder","229340","2020-10-21","18:00:00",""
"7047527","13.3949","0.0007","5.2954","0.0003","5.5369","0.0002","90","","90","","90","","392.74","0.03","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C N2 O Sn2 -","- C N2 O Sn2 -","- C4 N8 O4 Sn8 -","4","0.5","","Dolabdjian, Konstantin; Görne, Arno L; Dronskowski, Richard; Ströbele, Markus; Meyer, Hans-Jürgen","Tin(ii) oxide carbodiimide and its relationship to SnO.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13378","13383","10.1039/c8dt02747a","","","0.71073","MoKα","","0.0146","0.0134","","","0.0254","0.0256","","","","","","1.296","","","","has coordinates","230014","2020-10-21","18:00:00",""
"7047528","11.1634","0.0002","20.7999","0.0003","8.9866","0.0001","90","","112.125","0.0018","90","","1933.02","0.06","150","","150","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C20 H24 N2 Ni O6 -","- C20 H24 N2 Ni O6 -","- C80 H96 N8 Ni4 O24 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.0228","0.0218","","0.0555","0.0545","0.0555","","","","","","1.0075","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047529","9.1282","0.0002","11.3329","0.0004","18.5868","0.0005","105.604","0.003","100.863","0.002","98.646","0.002","1777.19","0.1","150","","150","","","","","","","","from U of Wollongong","6","P 1","P 1","1","","","","- C35 H47 Cl3 N4 Ni O4 -","- C35 H47 Cl3 N4 Ni O4 -","- C70 H94 Cl6 N8 Ni2 O8 -","2","2","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","","1.54184","CuKα","","0.0496","0.0466","","0.1029","0.1009","0.1029","","","","","","1.0258","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047530","15.2582","0.0002","5.6873","0.0001","26.0174","0.0003","90","","102.623","0.0012","90","","2203.16","0.06","150","","150","","","","","","","","from U of Wollongong","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 Ni O4 S -","- C26 H22 N2 Ni O4 S -","- C104 H88 N8 Ni4 O16 S4 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","","1.5418","CuKα","","0.0344","0.0326","","0.0889","0.0871","0.0889","","","","","","1.0042","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047531","12.2","0.0004","15.0224","0.0005","15.4129","0.0006","74.102","0.003","71.068","0.003","69.971","0.003","2467.88","0.16","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C60 H44 N6 Ni3 O13 -","- C60 H44 N6 Ni3 O13 -","- C120 H88 N12 Ni6 O26 -","2","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.1142","0.0581","","0.1061","0.0823","0.1061","","","","","","1.0221","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047532","8.1684","0.0001","20.6438","0.0003","21.044","0.0003","90","","99.3335","0.0014","90","","3501.6","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N4 Ni O4 -","- C42 H44 N4 Ni O4 -","- C168 H176 N16 Ni4 O16 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","","1.5418","CuKα","","0.0428","0.035","","0.0906","0.0848","0.0906","","","","","","0.9847","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047533","10.1567","0.0003","8.5596","0.0004","33.2575","0.0013","90","","98.602","0.003","90","","2858.79","0.19","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N4 Ni O5 -","- C30 H42 N4 Ni O5 -","- C120 H168 N16 Ni4 O20 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.112","0.0599","","0.1063","0.084","0.1063","","","","","","1.0196","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047534","8.144","0.0001","11.8552","0.0002","15.6018","0.0003","93.0064","0.0017","90.4792","0.0016","90.5565","0.0015","1504.13","0.04","150","","150","","","","","","","","from U of Wollongong","5","P -1","-P 1","2","","","","- C34 H42 N4 Ni O5 -","- C34 H42 N4 Ni O5 -","- C68 H84 N8 Ni2 O10 -","2","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.0359","0.0299","","0.0738","0.0695","0.0738","","","","","","1.0034","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047535","11.1734","0.0002","20.8139","0.0003","8.9919","0.0002","90","","112.121","0.002","90","","1937.24","0.07","150","","150","","","","","","","","from U of Wollongong","5","C 1 2 1","C 2y","5","","","","- C20 H24 N2 Ni O6 -","- C20 H24 N2 Ni O6 -","- C80 H96 N8 Ni4 O24 -","4","1","","Davis, Kimberley J.; Assadawi, Nawal M. O.; Pham, Son Q. T.; Birrento, Monica L.; Richardson, Christopher; Beck, Jennifer L.; Willis, Anthony C.; Ralph, Stephen F.","Effect of structure variations on the quadruplex DNA binding ability of nickel Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13573","13591","10.1039/c8dt02727g","","x-ray","0.71073","MoKα","","0.0262","0.0241","","0.0571","0.0542","0.0571","","","","","","1.0164","","","","has coordinates","230023","2020-10-21","18:00:00",""
"7047536","15.678","0.009","24.217","0.012","13.711","0.008","90","","114.57","0.012","90","","4734","5","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 Co2 F24 N6 O10 -","- C39 H25 Co2 F24 N6 O10 -","- C156 H100 Co8 F96 N24 O40 -","4","1","","Sun, Juan; Xi, Lu; Xie, Jing; Wang, Kang; Li, Licun; Sutter, Jean-Pascal","A loop chain and a three-dimensional network assembled from a multi-dentate nitronyl nitroxide radical and M(hfac)<sub>2</sub> (M = Co<sup>II</sup>, Cu<sup>II</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14630","14635","10.1039/c8dt03222j","","","0.71073","MoKα","","0.2151","0.0938","","","0.1863","0.248","","","","","","1.155","","","","has coordinates","229337","2020-10-21","18:00:00",""
"7047537","23.7806","0.0003","17.9565","0.0003","42.1757","0.0006","90","","105.348","0.002","90","","17367.4","0.5","113","","113","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C127 H77 Cu7 F84 N18 O34 -","- C127 H77 Cu7 F83.9998 N18 O34 -","- C508 H308 Cu28 F335.999 N72 O136 -","4","0.5","","Sun, Juan; Xi, Lu; Xie, Jing; Wang, Kang; Li, Licun; Sutter, Jean-Pascal","A loop chain and a three-dimensional network assembled from a multi-dentate nitronyl nitroxide radical and M(hfac)<sub>2</sub> (M = Co<sup>II</sup>, Cu<sup>II</sup>).","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14630","14635","10.1039/c8dt03222j","","","0.71073","MoKα","","0.0602","0.0531","","","0.135","0.1396","","","","","","1.04","","","","has coordinates,has disorder","229337","2020-10-21","18:00:00",""
"7047538","12.3536","0.0003","12.7733","0.0004","15.3745","0.0003","68.454","0.003","75.982","0.002","61.907","0.003","1983.55","0.11","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40.5 Cl2 Fe N5 O7.5 -","- C39 H40.5 Cl2 Fe N5 O7.5 -","- C78 H81 Cl4 Fe2 N10 O15 -","2","1","","Turcas, Ramona; Kripli, Balázs; Attia, Amr A. A.; Lakk-Bogáth, Dóra; Speier, Gábor; Giorgi, Michel; Silaghi-Dumitrescu, Radu; Kaizer, József","Catalytic and stoichiometric flavanone oxidation mediated by nonheme oxoiron(iv) complexes as flavone synthase mimics: kinetic, mechanistic and computational studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14416","14420","10.1039/c8dt03519a","","x-ray","1.54184","CuKα","","0.0618","0.0556","","","0.1593","0.1656","","","","","","1.063","","","","has coordinates,has disorder","229335","2020-10-21","18:00:00",""
"7047539","13.292","0.003","28.94","0.006","17.711","0.004","90","","106.566","0.003","90","","6530","2","386","2","386","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Cl2 Cu2 O10 P4 -","- C70 H66 Cl2 Cu2 O10 P4 -","- C280 H264 Cl8 Cu8 O40 P16 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0813","0.0667","","","0.1517","0.1605","","","","","","1.102","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047540","20.061","0.004","23.316","0.005","17.798","0.004","90","","90","","90","","8325","3","386","2","386","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C80 H76 Cl10 Cu2 O9 P4 S -","- C80 H76 Cl10 Cu2 O9 P4 S -","- C320 H304 Cl40 Cu8 O36 P16 S4 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0504","0.0481","","","0.1104","0.1116","","","","","","1.123","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047541","13.204","0.003","20.254","0.004","27.031","0.005","90","","94.95","0.03","90","","7202","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 Cl6 Cu2 O8 P4 -","- C74 H72 Cl6 Cu2 O8 P4 -","- C296 H288 Cl24 Cu8 O32 P16 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0715","0.0598","","","0.1497","0.1598","","","","","","0.951","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047542","11.219","0.002","25.594","0.005","14.172","0.003","90","","93.92","0.03","90","","4059.8","1.4","113","2","113","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H35 Ag Cl6 N O4 P2 -","- C35.5 H32.5 Ag Cl1.5 N O4 P2 -","- C142 H130 Ag4 Cl6 N4 O16 P8 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0421","0.0373","","","0.0906","0.0939","","","","","","1.032","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047543","17.962","0.003","20.584","0.003","21.081","0.003","90","","100.796","0.003","90","","7656","2","386","2","386","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H73 Cl7 Cu2 O8 P4 -","- C76.58 H70.7 Cl1.06 Cu2 O8.12 P4 -","- C306.32 H282.8 Cl4.24 Cu8 O32.48 P16 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0489","0.0462","","","0.11","0.1119","","","","","","1.081","","","","has coordinates,has disorder","230029","2020-10-21","18:00:00",""
"7047544","17.72","0.004","20.286","0.004","23.057","0.005","90","","90.04","0.03","90","","8288","3","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C87 H77 Cl7 Cu2 O8 P4 -","- C86 H76 Cl4 Cu2 O8 P4 -","- C344 H304 Cl16 Cu8 O32 P16 -","4","1","","Yue, Kai; Guo, Yi-He; Pan, Jia-Qing; He, Kai; Qiao, Yuan-Yuan; Li, Qing-Shan; Xu, Feng-Bo","Novel self-adaptive boat-shaped complexes with a tetraphosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13689","13695","10.1039/c8dt02498g","","","0.71073","MoKα","","0.0594","0.0451","","","0.1059","0.1141","","","","","","1.022","","","","has coordinates","230029","2020-10-21","18:00:00",""
"7047545","9.102","0.0016","16.434","0.003","33.454","0.006","90","","90","","90","","5004.1","1.6","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","[CoTPAP(Cl)]","[CoTPAP(Cl)]","","- C24 H30 Cl Co N7 P -","- C24 H30 Cl Co N7 P -","- C192 H240 Cl8 Co8 N56 P8 -","8","1","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.0387","0.0315","","","0.0745","0.0776","","","","","","1.052","","","","has coordinates","229513","2020-10-21","18:00:00",""
"7047546","9.5307","0.0006","28.5152","0.0019","11.3412","0.0008","90","","106.025","0.0009","90","","2962.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[NiTPAP(COD)]","[NiTPAP(COD)]","","- C32 H42 N7 Ni P -","- C32 H42 N7 Ni P -","- C128 H168 N28 Ni4 P4 -","4","1","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.0449","0.0331","","","0.0764","0.0819","","","","","","1.042","","","","has coordinates","229513","2020-10-21","18:00:00",""
"7047547","10.9669","0.0006","12.417","0.0007","25.3468","0.0014","77.9589","0.0006","87.3208","0.0007","81.2206","0.0007","3335.7","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","[PdTPAP(CH3CN)][BF4]2","[PdTPAP(CH3CN)][BF4]2","","- C28 H36 B2 F8 N9 P Pd -","- C28 H36 B2 F8 N9 P Pd -","- C112 H144 B8 F32 N36 P4 Pd4 -","4","2","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.034","0.0288","","","0.0659","0.0682","","","","","","1.042","","","","has coordinates,has disorder","229513","2020-10-21","18:00:00",""
"7047548","9.0563","0.0017","20.118","0.004","18.435","0.004","90","","98.9026","0.0017","90","","3318.3","1.2","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[NiTPAP(CH3CN)][BF4]2","[NiTPAP(CH3CN)][BF4]2","","- C28 H36 B2 F8 N9 Ni P -","- C28 H36 B2 F8 N9 Ni P -","- C112 H144 B8 F32 N36 Ni4 P4 -","4","1","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.0583","0.0454","","","0.1187","0.1267","","","","","","1.03","","","","has coordinates,has disorder","229513","2020-10-21","18:00:00",""
"7047549","9.8827","0.0005","14.01","0.0007","17.88","0.0009","90","","100.49","0.002","90","","2434.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Co(TPAP)Cl","","- C24 H30 Cl Co N7 P -","- C24 H30 Cl Co N7 P -","- C96 H120 Cl4 Co4 N28 P4 -","4","1","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","1.54178","CuKα","","0.0445","0.042","","","0.107","0.1092","","","","","","1.037","","","","has coordinates","229513","2020-10-21","18:00:00",""
"7047550","10.4092","0.0008","15.4825","0.0012","19.0637","0.0014","104.419","0.0009","92.0696","0.0009","94.392","0.0009","2962","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","[PtTPAP(Cl)][PF6]","[PtTPAP(Cl)][PF6]","","- C24 H30 Cl F6 N7 P2 Pt -","- C24 H30 Cl F6 N7 P2 Pt -","- C96 H120 Cl4 F24 N28 P8 Pt4 -","4","2","","Thammavongsy, Zachary; Cunningham, Drew W.; Sutthirat, Natwara; Eisenhart, Reed J.; Ziller, Joseph W.; Yang, Jenny Y.","Adaptable ligand donor strength: tracking transannular bond interactions in tris(2-pyridylmethyl)-azaphosphatrane (TPAP).","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14101","14110","10.1039/c8dt03180k","","","0.71073","MoKα","","0.0462","0.0341","","","0.074","0.078","","","","","","1.036","","","","has coordinates,has disorder","229513","2020-10-21","18:00:00",""
"7047551","17.3438","0.0008","12.0771","0.0007","10.1378","0.0007","90","","116.269","0.003","90","","1904.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Fe0.96 Mn0.04 N5 O3 -","- C17 H23 Fe0.96 Mn0.04 N5 O3 -","- C68 H92 Fe3.84 Mn0.16 N20 O12 -","4","0.5","","Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume","Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14741","14750","10.1039/c8dt02517g","","","0.71073","MoKα","","0.1733","0.0784","","","0.1617","0.2","","","","","","0.991","","","","has coordinates,has disorder","229338","2020-10-21","18:00:00",""
"7047552","17.0528","0.0005","12.0023","0.0004","10.0974","0.0003","90","","115.88","0.002","90","","1859.4","0.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Fe0.64 Mn0.36 N5 O3 -","- C17 H23 Fe0.638 Mn0.362 N5 O3 -","- C68 H92 Fe2.552 Mn1.448 N20 O12 -","4","0.5","","Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume","Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14741","14750","10.1039/c8dt02517g","","","0.71073","MoKα","","0.0774","0.0623","","","0.1158","0.1228","","","","","","1.075","","","","has coordinates,has disorder","229338","2020-10-21","18:00:00",""
"7047553","17.093","0.003","11.99","0.002","10.33","0.002","90","","116.59","0.03","90","","1893.2","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Mn N5 O3 -","- C17 H23 Mn N5 O3 -","- C68 H92 Mn4 N20 O12 -","4","0.5","","Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume","Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14741","14750","10.1039/c8dt02517g","","","0.71073","MoKα","","0.0341","0.0319","","","0.0805","0.0823","","","","","","1.082","","","","has coordinates,has disorder","229338","2020-10-21","18:00:00",""
"7047554","17.5613","0.0003","12.0994","0.0002","10.1785","0.0001","90","","116.579","0.001","90","","1934.18","0.05","270","2","270","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Mn N5 O3 -","- C17 H23 Mn N5 O3 -","- C68 H92 Mn4 N20 O12 -","4","0.5","","Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume","Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14741","14750","10.1039/c8dt02517g","","","0.71073","MoKα","","0.0333","0.0309","","","0.0839","0.0859","","","","","","1.042","","","","has coordinates,has disorder","229338","2020-10-21","18:00:00",""
"7047555","17.3332","0.0004","12.0778","0.0004","10.1168","0.0002","90","","116.21","0.002","90","","1900.16","0.09","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Fe0.64 Mn0.36 N5 O3 -","- C17 H23 Fe0.638 Mn0.362 N5 O3 -","- C68 H92 Fe2.552 Mn1.448 N20 O12 -","4","0.5","","Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume","Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14741","14750","10.1039/c8dt02517g","","","0.71073","MoKα","","0.0738","0.0613","","","0.124","0.1309","","","","","","1.052","","","","has coordinates,has disorder","229338","2020-10-21","18:00:00",""
"7047556","13.0572","0.0012","13.0875","0.0014","13.0867","0.0014","75.69","0.004","88.784","0.003","88.826","0.003","2166.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H50 As2 Au2 Cl6 N4 -","- C34 H50 As2 Au2 Cl6 N4 -","- C68 H100 As4 Au4 Cl12 N8 -","2","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.1297","0.1227","","","0.3138","0.3189","","","","","","1.094","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047557","13.251","0.0008","12.892","0.0011","16.088","0.0007","90","0.008","126.448","0.006","90","0.006","2210.8","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Au Cl3 N2 Sb -","- C17 H25 Au Cl3 N2 Sb -","- C68 H100 Au4 Cl12 N8 Sb4 -","4","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.0472","0.0364","","","0.0903","0.1018","","","","","","1.12","","","","has coordinates","229341","2020-10-21","18:00:00",""
"7047558","10.928","0.0017","24.306","0.005","19.224","0.0017","90","","119.412","0.008","90","","4448.1","1.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H59 Au B F4 N4 Sb -","- C42.755 H58.755 Au B F4 N3.755 Sb -","- C171.02 H235.02 Au4 B4 F16 N15.02 Sb4 -","4","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.1197","0.0644","","","0.1453","0.1913","","","","","","1.111","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047559","13.998","0.0012","14.9401","0.0011","15.647","0.0012","89.143","0.006","64.451","0.007","72.326","0.007","2787.2","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H65 As2 Au3 N4 -","- C56 H61 As2 Au3 N4 -","- C112 H122 As4 Au6 N8 -","2","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.098","0.0446","","","0.0748","0.088","","","","","","1.011","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047560","10.9912","0.0003","24.1964","0.0006","19.335","0.0002","90","","119.362","0.004","90","","4481.5","0.2","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43.25 H59.25 Au B Bi F4 N4 -","- C43.3 H59.3 Au B Bi F4 N4 -","- C173.2 H237.2 Au4 B4 Bi4 F16 N16 -","4","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.1172","0.0717","","","0.1698","0.2115","","","","","","1.168","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047561","17.4908","0.0013","21.2341","0.0013","27.3532","0.0019","90","","100.939","0.002","90","","9974.4","1.2","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H120 Au4 N8 O Sb4 -","- C100 H120 Au4 N8 O Sb4 -","- C400 H480 Au16 N32 O4 Sb16 -","4","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.0388","0.0243","","","0.0485","0.053","","","","","","1.035","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047562","13.337","0.001","17.4601","0.0015","19.705","0.0017","86.893","0.007","83.441","0.006","85.496","0.008","4539.8","0.7","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C92 H124 As2 Au2 B2 F8 N8 -","- C89 H121 As2 Au2 B2 F8 N8 -","- C178 H242 As4 Au4 B4 F16 N16 -","2","1","","Kořenková, Monika; Kremláček, Vít; Erben, Milan; Jirásko, Robert; De Proft, Frank; Turek, Jan; Jambor, Roman; RůŽička, Aleš; Císařová, Ivana; Dostál, Libor","Heavier pnictinidene gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14503","14514","10.1039/c8dt03022g","","","0.71073","MoKα","","0.0707","0.0426","","","0.1006","0.1356","","","","","","1.027","","","","has coordinates,has disorder","229341","2020-10-21","18:00:00",""
"7047563","13.5335","0.001","29.979","0.002","14.6437","0.0012","90","","95.841","0.007","90","","5910.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6","6","","- C57 H95 Cl2 N Si4 Ti2 -","- C57 H95 Cl2 N Si4 Ti2 -","- C228 H380 Cl8 N4 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N","Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14531","14539","10.1039/c8dt02654h","","","1.54184","CuKα","","0.119","0.0707","","","0.15","0.1737","","","","","","1.075","","","","has coordinates","229349","2020-10-21","18:00:00",""
"7047564","12.7393","0.0006","12.9078","0.0008","21.1087","0.0011","77.484","0.005","87.578","0.004","61.137","0.005","2959.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","5","5","","- C59.5 H103 N Si4 Ti2 -","- C59.5 H103 N Si4 Ti2 -","- C119 H206 N2 Si8 Ti4 -","2","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N","Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14531","14539","10.1039/c8dt02654h","","","1.54184","CuKα","","0.0652","0.0562","","","0.1462","0.1577","","","","","","1.027","","","","has coordinates,has disorder","229349","2020-10-21","18:00:00",""
"7047565","21.4972","0.0003","13.1075","0.0002","30.6056","0.0005","90","","95.62","0.001","90","","8582.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","10","10","","- C90 H137.75 B N2 Si4 Ti2 -","- C90 H137.552 B N2 Si4 Ti2 -","- C360 H550.208 B4 N8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N","Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14531","14539","10.1039/c8dt02654h","","","1.54184","CuKα","","0.0661","0.0549","","","0.1486","0.1616","","","","","","1.025","","","","has coordinates,has disorder","229349","2020-10-21","18:00:00",""
"7047566","17.0419","0.0013","14.2566","0.0011","27.6286","0.0016","90","","94.809","0.007","90","","6689","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7","7","","- C65 H114 N2 Si4 Ti2 -","- C65 H114 N2 Si4 Ti2 -","- C260 H456 N8 Si16 Ti8 -","4","1","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N","Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14531","14539","10.1039/c8dt02654h","","","1.54184","CuKα","","0.1514","0.0793","","","0.202","0.2566","","","","","","0.898","","","","has coordinates,has disorder","229349","2020-10-21","18:00:00",""
"7047567","15.863","0.004","20.452","0.004","20.552","0.005","79.849","0.019","77.59","0.02","76.639","0.019","6279","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","9","9","","- C59 H105 Cl N2 Si4 Ti2 -","- C59 H104 Cl N2 Si4 Ti2 -","- C236 H416 Cl4 N8 Si16 Ti8 -","4","2","","Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N","Bis(pentalene)dititanium chemistry: C-H, C-X and H-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14531","14539","10.1039/c8dt02654h","","","1.54184","CuKα","","0.236","0.0929","","","0.1653","0.2361","","","","","","0.982","","","","has coordinates","229349","2020-10-21","18:00:00",""
"7047568","11.1737","0.0003","12.5673","0.0003","16.7521","0.0004","89.742","0.002","71.246","0.002","72.049","0.002","2107.34","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 N4 O4 P4 Ru2 -","- C90 H70 N4 O4 P4 Ru2 -","- C90 H70 N4 O4 P4 Ru2 -","1","0.5","","Hazari, Arijit Singha; Ghosh, Prabir; Beyer, Katharina; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar","Effect of positional isomerism on the spectroelectrochemical response of 3,6-bis(2-pyridyl)-diketopyrrolopyrrolate bridged bis(carbonylhydridoruthenium) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14078","14084","10.1039/c8dt02806k","","","0.71073","MoKα","","0.042","0.038","","","0.0954","0.0978","","","","","","1.061","","","","has coordinates,has disorder","229498","2020-10-21","18:00:00",""
"7047569","10.5994","0.0003","12.0532","0.0004","16.8855","0.0004","101.756","0.002","104.22","0.002","101.333","0.003","1976.97","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H70 N4 O4 P4 Ru2 -","- C90 H70 N4 O4 P4 Ru2 -","- C90 H70 N4 O4 P4 Ru2 -","1","0.5","","Hazari, Arijit Singha; Ghosh, Prabir; Beyer, Katharina; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar","Effect of positional isomerism on the spectroelectrochemical response of 3,6-bis(2-pyridyl)-diketopyrrolopyrrolate bridged bis(carbonylhydridoruthenium) compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14078","14084","10.1039/c8dt02806k","","","0.71073","MoKα","","0.0821","0.0618","","","0.1254","0.1369","","","","","","1.09","","","","has coordinates,has disorder","229498","2020-10-21","18:00:00",""
"7047570","32.1011","0.0003","32.1011","0.0003","32.1011","0.0003","90","","90","","90","","33079.6","0.5","173","2","173.15","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H34 Dy2 N10 Ni O14 -","- C28 H34 Dy2 N10 Ni O14 -","- C672 H816 Dy48 N240 Ni24 O336 -","24","0.5","","Feng, Dan-Dan; Dong, Hui-Ming; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Three microporous metal-organic frameworks assembled from dodecanuclear {NiLn} subunits: synthesis, structure, gas adsorption and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15344","15352","10.1039/c8dt02816h","","","0.71073","MoKα","","0.0299","0.0208","","","0.0458","0.0493","","","","","","1.03","","","","has coordinates,has disorder","229439","2020-10-21","18:00:00",""
"7047571","32.2995","0.0005","32.2995","0.0005","32.2995","0.0005","90","","90","","90","","33696.7","0.9","173","2","173.15","","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H34 N10 Ni O14 Tb2 -","- C28 H34 N10 Ni O14 Tb2 -","- C672 H816 N240 Ni24 O336 Tb48 -","24","0.5","","Feng, Dan-Dan; Dong, Hui-Ming; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Three microporous metal-organic frameworks assembled from dodecanuclear {NiLn} subunits: synthesis, structure, gas adsorption and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15344","15352","10.1039/c8dt02816h","","","0.71073","MoKα","","0.0373","0.0252","","","0.055","0.0608","","","","","","1.039","","","","has coordinates,has disorder","229439","2020-10-21","18:00:00",""
"7047572","32.6462","0.0005","32.6462","0.0005","32.6462","0.0005","90","","90","","90","","34793.5","0.9","173","0.1","173","0.1","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C28 H34 Gd2 N10 Ni O14 -","- C28 H34 Gd2 N10 Ni O14 -","- C672 H816 Gd48 N240 Ni24 O336 -","24","0.5","","Feng, Dan-Dan; Dong, Hui-Ming; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","Three microporous metal-organic frameworks assembled from dodecanuclear {NiLn} subunits: synthesis, structure, gas adsorption and magnetism.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15344","15352","10.1039/c8dt02816h","","x-ray","1.54184","CuKα","","0.0645","0.0432","","","0.109","0.1178","","","","","","1.022","","","","has coordinates,has disorder","229439","2020-10-21","18:00:00",""
"7047573","22.6686","0.0017","22.6686","0.0017","22.6686","0.0017","90","","90","","90","","11648.6","1.5","123","","123","","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C109 H128 Cl2 N12 Ni6 O27 Zn -","- C108 H124 Cl2 N12 Ni5.9998 O25.9998 Zn1.0002 -","- C432 H495.998 Cl8 N48 Ni23.9992 O103.999 Zn4.0008 -","4","0.166667","","Kobayashi, Fumiya; Ohtani, Ryo; Kusumoto, Sotaro; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Wheel-type heterometallic ferromagnetic clusters: [Ni<sub>7-x</sub>M<sub>x</sub>(HL)<sub>6</sub>(μ<sub>3</sub>-OMe)<sub>4</sub>(μ<sub>3</sub>-OH)<sub>2</sub>]Cl<sub>2</sub> (M = Zn, Co, Mn; x = 1, 3).","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16422","16428","10.1039/c8dt03275k","","","0.71075","MoKα","","0.1378","0.071","","","0.1864","0.2507","","","","","","1.041","","","","has coordinates,has disorder","229640","2020-10-21","18:00:00",""
"7047574","18.929","0.007","10.157","0.003","16.116","0.006","90","","93.702","0.013","90","","3092","1.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N3 Ni O P2 -","- C27 H53 N3 Ni O P2 -","- C108 H212 N12 Ni4 O4 P8 -","4","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.0724","0.0488","","","0.1466","0.1636","","","","","","1.059","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047575","11.738","0.0011","15.611","0.002","18.0809","0.0018","90","","90","","90","","3313.2","0.6","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H56 N4 Ni O P2 -","- C29 H56 N4 Ni O P2 -","- C116 H224 N16 Ni4 O4 P8 -","4","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.1058","0.0557","","","0.1311","0.17","","","","","","0.918","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047576","8.821","0.003","27.389","0.008","15.683","0.005","90","","106.055","0.013","90","","3641","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 N4 Ni O P2 -","- C34 H58 N4 Ni O P2 -","- C136 H232 N16 Ni4 O4 P8 -","4","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.0956","0.0593","","","0.1535","0.174","","","","","","1.044","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047577","8.677","0.004","11.612","0.005","18.416","0.008","74.03","0.015","80.855","0.016","68.967","0.014","1661.3","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H104 N6 Ni2 O P4 S2 -","- C55 H104 N6 Ni2 O P4 S2 -","- C55 H104 N6 Ni2 O P4 S2 -","1","0.5","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.058","0.0514","","","0.1687","0.1747","","","","","","1.343","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047578","11.653","0.005","13.249","0.006","14.083","0.007","72.813","0.013","87.034","0.014","74.527","0.013","2001","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H49 N4 Ni O P2 S -","- C36 H49 N4 Ni O P2 S -","- C72 H98 N8 Ni2 O2 P4 S2 -","2","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.1204","0.0701","","","0.1863","0.2076","","","","","","1.142","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047579","10.937","0.004","11.634","0.004","15.984","0.006","90","","109.214","0.01","90","","1920.5","1.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H62 N4 Ni O2 P2 -","- C36 H62 N4 Ni O2 P2 -","- C72 H124 N8 Ni2 O4 P4 -","2","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.0786","0.0598","","","0.1529","0.169","","","","","","0.878","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047580","7.3508","0.0018","10.847","0.003","16.6","0.004","106.839","0.004","95.487","0.004","92.549","0.004","1257.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H60 B40 Cd3 Cl2 O14 P4 -","- C8 H48 B40 Cd3 Cl2 O14 P4 -","- C8 H48 B40 Cd3 Cl2 O14 P4 -","1","0.5","","Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; Gómez-García, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan","Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16102","16118","10.1039/c8dt02417k","","","0.71073","MoKα","","0.0589","0.0526","","","0.1335","0.1391","","","","","","1.047","","","","has coordinates","229964","2020-10-21","18:00:00",""
"7047581","11.184","0.002","7.435","0.0015","17.041","0.003","90","","91.21","0.03","90","","1416.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H24 B20 Co O10 P2 -","- C4 H24 B20 Co O10 P2 -","- C8 H48 B40 Co2 O20 P4 -","2","0.25","","Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; Gómez-García, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan","Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16102","16118","10.1039/c8dt02417k","","","0.79989","synchrotronradiation","","0.0898","0.0868","","","0.2434","0.2473","","","","","","1.073","","","","has coordinates","229964","2020-10-21","18:00:00",""
"7047582","18.5203","0.0005","24.367","0.0007","20.3923","0.0008","90","","99.226","0.003","90","","9083.7","0.5","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H91 Dy2 N31 O37 -","- C63 H61 Dy2 N31 O22 -","- C252 H244 Dy8 N124 O88 -","4","1","","He, Jian-Qiang; Xie, Shang-Fang; Lai, Bi-Lin; Yang, Meng; Chen, Wen-Bin; Zhang, Yi-Quan; Dong, Wen","A new salicylaldehyde-based azo dye and its two lanthanide(iii) complexes displaying slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14975","14984","10.1039/c8dt02951b","","x-ray","1.54178","CuKα","","0.1186","0.0692","","","0.1641","0.1875","","","","","","1.021","","","","has coordinates","229483","2020-10-21","18:00:00",""
"7047583","18.5473","0.0005","24.3836","0.0007","20.4332","0.0008","90","","99.276","0.003","90","","9120.1","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H91 N31 O37 Tb2 -","- C63 H61 N31 O22 Tb2 -","- C252 H244 N124 O88 Tb8 -","4","1","","He, Jian-Qiang; Xie, Shang-Fang; Lai, Bi-Lin; Yang, Meng; Chen, Wen-Bin; Zhang, Yi-Quan; Dong, Wen","A new salicylaldehyde-based azo dye and its two lanthanide(iii) complexes displaying slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14975","14984","10.1039/c8dt02951b","","x-ray","1.54178","CuKα","","0.1396","0.0941","","","0.2552","0.2923","","","","","","1.035","","","","has coordinates","229483","2020-10-21","18:00:00",""
"7047584","9.8509","0.0006","15.6904","0.001","16.8984","0.0011","90","","104.812","0.002","90","","2525.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 O12 P2 Re2 -","- C48 H68 O12 P2 Re2 -","- C96 H136 O24 P4 Re4 -","2","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71073","MoKα","","0.0388","0.0309","","","0.0735","0.0779","","","","","","1.027","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047585","25.917","0.004","9.2842","0.0011","29.98","0.004","90","","111.474","0.01","90","","6713","1.6","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 Cl2 O12 P2 Re2 -","- C48 H30 Cl2 O12 P2 Re2 -","- C192 H120 Cl8 O48 P8 Re8 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71075","MoKα","","0.0556","0.0516","","","0.1145","0.1168","","","","","","1.104","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047586","23.052","0.003","9.4296","0.001","26.152","0.003","90","","107.377","0.005","90","","5425.2","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 O12 P2 Re2 -","- C48 H32 O12 P2 Re2 -","- C192 H128 O48 P8 Re8 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71073","MoKα","","0.1153","0.0507","","","0.1036","0.1259","","","","","","1.061","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047587","9.381","0.002","15.843","0.004","17.889","0.004","95.666","0.007","104.06","0.009","98.898","0.009","2522.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H66 Cl2 O12 P2 Re2 -","- C48 H66 Cl2 O12 P2 Re2 -","- C96 H132 Cl4 O24 P4 Re4 -","2","1","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71073","MoKα","","0.2105","0.1546","","","0.3658","0.4019","","","","","","1.111","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047588","25.072","0.0018","12.5382","0.001","14.8004","0.0012","90","","97.093","0.002","90","","4617","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 O14 P2 Re2 -","- C48 H32 O14 P2 Re2 -","- C192 H128 O56 P8 Re8 -","4","0.5","","Arumugam, Ramar; Shankar, Bhaskaran; Shanmugam, Ramasamy; Arumuganathan, T.; Sathiyendiran, Malaichamy","Phosphine oxide-based tricarbonylrhenium(i) complexes from phosphine/phosphine oxide and dihydroxybenzoquinones.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13894","13901","10.1039/c8dt02985g","","","0.71073","MoKα","","0.0468","0.0319","","","0.0654","0.0705","","","","","","1.119","","","","has coordinates","229515","2020-10-21","18:00:00",""
"7047589","7.3508","0.0018","10.847","0.003","16.6","0.004","106.839","0.004","95.487","0.004","92.549","0.004","1257.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H60 B40 Cd3 Cl2 O14 P4 -","- C8 H48 B40 Cd3 Cl2 O14 P4 -","- C8 H48 B40 Cd3 Cl2 O14 P4 -","1","0.5","","Oleshkevich, Elena; Romero, Isabel; Teixidor, Francesc; Viñas, Clara","All inorganic coordination polymers have been made possible with the m-carboranylphosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14785","14798","10.1039/c8dt03264e","","","0.71073","MoKα","","0.0589","0.0526","","","0.1335","0.1391","","","","","","1.047","","","","has coordinates","229346","2020-10-21","18:00:00",""
"7047590","11.184","0.002","7.435","0.0015","17.041","0.003","90","","91.21","0.03","90","","1416.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 H24 B20 Co O10 P2 -","- C4 H24 B20 Co O10 P2 -","- C8 H48 B40 Co2 O20 P4 -","2","0.25","","Oleshkevich, Elena; Romero, Isabel; Teixidor, Francesc; Viñas, Clara","All inorganic coordination polymers have been made possible with the m-carboranylphosphinate ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14785","14798","10.1039/c8dt03264e","","","0.79989","synchrotronradiation","","0.0898","0.0868","","","0.2434","0.2473","","","","","","1.073","","","","has coordinates","229346","2020-10-21","18:00:00",""
"7047591","41.823","0.002","41.823","0.002","9.8448","0.0006","90","","90","","90","","17220.2","1.6","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C53 H41 Cl Hg N4 -","- C53 H40 Cl Hg N4 -","- C848 H640 Cl16 Hg16 N64 -","16","","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0648","0.0529","","","0.1144","0.1189","","","","","","1.187","","","","has coordinates,has disorder","211069","2020-10-21","18:00:00",""
"7047592","13.8172","0.0007","14.1312","0.0007","14.8978","0.0008","101.863","0.0018","114.265","0.0017","105.524","0.0016","2384.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35 Hg I N4 O2 -","- C48 H35 Hg I N4 O2 -","- C96 H70 Hg2 I2 N8 O4 -","2","1","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0427","0.0374","","","0.0955","0.0988","","","","","","1.038","","","","has coordinates,has disorder","211069","2020-10-21","18:00:00",""
"7047593","31.7147","0.0018","31.7147","0.0018","18.769","0.0013","90","","90","","90","","18878","2","150","2","150","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C53 H37 Hg I N4 O2 -","- C53 H37 Hg I N4 O2 -","- C848 H592 Hg16 I16 N64 O32 -","16","","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0667","0.036","","","0.0835","0.1009","","","","","","1.056","","","","has coordinates","211069","2020-10-21","18:00:00",""
"7047594","12.8582","0.0006","13.2646","0.0007","13.3976","0.0007","69.4115","0.0018","67.3886","0.0016","70.4786","0.0016","1921.66","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35 Br Hg N4 O2 -","- C48 H35 Br Hg N4 O2 -","- C96 H70 Br2 Hg2 N8 O4 -","2","1","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0641","0.0551","","","0.147","0.1551","","","","","","1.045","","","","has coordinates","211069","2020-10-21","18:00:00",""
"7047595","13.3823","0.0019","14.1121","0.0013","14.5139","0.0016","69.012","0.01","63.115","0.013","80.402","0.01","2282.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H37 Cl Hg N4 O2 -","- C53 H37 Cl Hg N4 O2 -","- C106 H74 Cl2 Hg2 N8 O4 -","2","1","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.1507","0.0781","","","0.1897","0.2324","","","","","","1.002","","","","has coordinates","211069","2020-10-21","18:00:00",""
"7047596","12.832","0.0007","13.2218","0.0006","13.3518","0.0007","69.597","0.0016","67.6389","0.0017","70.6685","0.0016","1911.4","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H35 Cl Hg N4 O2 -","- C48 H35 Cl Hg N4 O2 -","- C96 H70 Cl2 Hg2 N8 O4 -","2","1","","Tung, Jo-Yu; Chen, Yi-Chun; Liu, Ta-Kang; Tsai, Wei-Joe; Lin, Hsiang-Yin; Chen, Jyh-Horung; Chang, Yu-Chang","The η1-H‒C…Hg agostic interactions in mercury complexes of N-confused porphyrin","Dalton Transactions","2018","","","","","10.1039/C8DT02895H","","x-ray","0.71073","MoKα","","0.0355","0.0297","","","0.0744","0.0774","","","","","","1.043","","","","has coordinates","211069","2020-10-21","18:00:00",""
"7047597","10.0753","0.0002","20.7893","0.0006","31.3879","0.0008","90","","90","","90","","6574.5","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H33 B N6 O2 Se2 W -","- C32 H33 B N6 O2 Se2 W -","- C256 H264 B8 N48 O16 Se16 W8 -","8","1","","Hill, Anthony F.; Manzano, Richard A.; Ward, Jas S.","Synthesis and reactivity of selenium functionalised allylidynes and propargylidynes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14621","14629","10.1039/c8dt02370k","","x-ray","0.71073","MoKα","","0.1112","0.0941","","","0.2072","0.2145","","","","","","1.251","","","","has coordinates","229355","2020-10-21","18:00:00",""
"7047598","10.1236","0.0002","15.4789","0.0003","19.9039","0.0004","76.1006","0.0017","81.6539","0.0015","84.5006","0.0014","2989.55","0.11","150","","150","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C58 H60 B2 N12 O4 Se2 W2 -","- C58 H60 B2 N12 O4 Se2 W2 -","- C116 H120 B4 N24 O8 Se4 W4 -","2","1","","Hill, Anthony F.; Manzano, Richard A.; Ward, Jas S.","Synthesis and reactivity of selenium functionalised allylidynes and propargylidynes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14621","14629","10.1039/c8dt02370k","","","1.54184","CuKα","","0.0411","0.0372","","0.0979","0.0927","0.0978","","","","","","0.9384","","","","has coordinates","229355","2020-10-21","18:00:00",""
"7047599","11.6869","0.0007","13.9225","0.0007","19.4076","0.0016","100.513","0.005","104.632","0.006","102.645","0.005","2885.2","0.4","150","","150","","","","","","","","Research School of Chemistry","7","P -1","-P 1","2","","","","- C42 H50 B2 N12 O4 Se2 W2 -","- C42 H50 B2 N12 O4 Se2 W2 -","- C84 H100 B4 N24 O8 Se4 W4 -","2","1","","Hill, Anthony F.; Manzano, Richard A.; Ward, Jas S.","Synthesis and reactivity of selenium functionalised allylidynes and propargylidynes.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14621","14629","10.1039/c8dt02370k","","","1.54184","CuKα","","0.1265","0.0879","","0.2218","0.1884","0.2218","","","","","","1.0015","","","","has coordinates","229355","2020-10-21","18:00:00",""
"7047600","7.0197","0.0003","24.9592","0.0019","8.1874","0.0006","90","","98.001","0.006","90","","1420.52","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl Cu N2 O -","- C15 H15 Cl Cu N2 O -","- C60 H60 Cl4 Cu4 N8 O4 -","4","1","","Kumari, Babli; Kundu, Samapti; Ghosh, Kajari; Banerjee, Mahuya; Pradhan, Swapan Kumar; Islam, Sk Manirul; Brandão, Paula; Félix, Vítor; Das, Debasis","Exploring (bio)catalytic activities of structurally characterised Cu(ii) and Mn(iii) complexes: histidine recognition and photocatalytic application of Cu(ii) complex and derived CuO nano-cubes.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14008","14016","10.1039/c8dt03007c","","","0.71073","MoKα","","0.1159","0.0783","","","0.1508","0.1663","","","","","","1.009","","","","has coordinates","229496","2020-10-21","18:00:00",""
"7047601","9.4779","0.0008","19.2235","0.0017","28.921","0.002","90","","90","","90","","5269.4","0.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H30 Cl Mn N4 O2 -","- C30 H30 Cl Mn N4 O2 -","- C240 H240 Cl8 Mn8 N32 O16 -","8","1","","Kumari, Babli; Kundu, Samapti; Ghosh, Kajari; Banerjee, Mahuya; Pradhan, Swapan Kumar; Islam, Sk Manirul; Brandão, Paula; Félix, Vítor; Das, Debasis","Exploring (bio)catalytic activities of structurally characterised Cu(ii) and Mn(iii) complexes: histidine recognition and photocatalytic application of Cu(ii) complex and derived CuO nano-cubes.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14008","14016","10.1039/c8dt03007c","","","0.71073","MoKα","","0.1234","0.0452","","","0.0843","0.1115","","","","","","1.004","","","","has coordinates","229496","2020-10-21","18:00:00",""
"7047602","34.8424","0.0009","16.5213","0.0003","44.0605","0.0019","90","","111.359","0.004","90","","23621","1.4","149.9","0.5","149.9","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cl1.5 Cr8 F8 O32 -","- C80 H144 Cl1.486 Cr8 F8 O32 -","- C640 H1152 Cl11.888 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0599","0.0471","","","0.1231","0.1324","","","","","","1.022","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047603","44.1693","0.0011","16.514","0.0003","34.8521","0.001","90","","111.369","0.003","90","","23673.9","1.1","150.02","0.11","150.02","0.11","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br1.6 Cr8 F8 O32 -","- C80 H144 Br1.6034 Cr8 F8 O32 -","- C640 H1152 Br12.8272 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0757","0.0472","","","0.1054","0.1194","","","","","","1.016","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047604","34.6995","0.0009","16.5534","0.0003","44.5351","0.0013","90","","111.281","0.003","90","","23836.4","1.1","198.94","0.1","198.94","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.52 O32 -","- C80 H144 Cr8 F8 I0.5238 O32 -","- C640 H1152 Cr64 F64 I4.1904 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0802","0.0588","","","0.1542","0.1662","","","","","","1.034","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047605","34.6969","0.0009","16.5495","0.0003","44.5379","0.0013","90","","111.304","0.003","90","","23826.8","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.59 O32 -","- C80 H144 Cr8 F8 I0.595 O32 -","- C640 H1152 Cr64 F64 I4.76 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0791","0.0578","","","0.1536","0.1655","","","","","","1.042","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047606","34.7097","0.001","16.5768","0.0003","44.5614","0.0015","90","","111.273","0.004","90","","23892.5","1.3","199.14","0.1","199.14","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.085","0.0639","","","0.1597","0.1714","","","","","","1.027","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047607","34.6879","0.0009","16.5552","0.0003","44.5048","0.0013","90","","111.249","0.003","90","","23820","1.1","200","2","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H142.84 Cr8 F8 I0.36 O32 -","- C80 H144 Cr8 F8 I0.3558 O32 -","- C640 H1152 Cr64 F64 I2.8464 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0806","0.058","","","0.1528","0.1654","","","","","","1.037","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047608","34.7183","0.0008","16.548","0.0003","44.5613","0.0013","90","","111.39","0.003","90","","23837.9","1.1","200.01","0.1","200.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.91 O32 -","- C80 H144 Cr8 F8 I0.9076 O32 -","- C640 H1152 Cr64 F64 I7.2608 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0798","0.0586","","","0.149","0.1594","","","","","","1.025","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047609","34.7964","0.0009","16.5728","0.0003","44.4195","0.0013","90","","111.368","0.003","90","","23854.7","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cl1.47 Cr8 F8 O32 -","- C80 H144 Cl1.466 Cr8 F8 O32 -","- C640 H1152 Cl11.728 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0759","0.0586","","","0.1405","0.1495","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047610","44.516","0.0014","16.538","0.0003","34.6653","0.0009","90","","111.347","0.003","90","","23769.9","1.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.74 O32 -","- C80 H144 Cr8 F8 I0.738 O32 -","- C640 H1152 Cr64 F64 I5.904 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0819","0.0599","","","0.1537","0.1644","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047611","34.7238","0.001","16.5752","0.0005","44.522","0.002","90","","111.178","0.004","90","","23894.2","1.6","199.78","0.1","199.78","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1168","0.0703","","","0.1641","0.1879","","","","","","1.013","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047612","34.7258","0.001","16.5727","0.0005","44.528","0.002","90","","111.19","0.004","90","","23893.2","1.6","199.73","0.1","199.73","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.26 O32 -","- C80 H144 Cr8 F8 I0.258 O32 -","- C640 H1152 Cr64 F64 I2.064 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1139","0.0671","","","0.1443","0.1653","","","","","","1.013","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047613","34.7987","0.0008","16.6176","0.0003","44.7185","0.0012","90","","111.18","0.003","90","","24112.6","1.1","200","","200","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 O32 -","- C80 H144 Cr8 F8 O32 -","- C640 H1152 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0986","0.0692","","","0.183","0.2005","","","","","","1.014","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047614","34.7598","0.0003","16.4784","0.0001","43.8863","0.0004","90","","111.28","0.001","90","","23423.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.76 O32 -","- C80 H144 Cr8 F8 I0.7584 O32 -","- C640 H1152 Cr64 F64 I6.0672 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","1.54184","CuKα","","0.0559","0.0487","","","0.132","0.1369","","","","","","1.047","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047615","34.7173","0.001","16.5607","0.0005","44.517","0.002","90","","111.303","0.005","90","","23845.9","1.7","200.03","0.1","200.03","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.62 O32 -","- C80 H144 Cr8 F8 I0.6248 O32 -","- C640 H1152 Cr64 F64 I4.9984 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1209","0.0706","","","0.1594","0.1819","","","","","","1.017","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047616","34.6926","0.0009","16.5516","0.0003","44.517","0.0013","90","","111.263","0.003","90","","23822.3","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.46 O32 -","- C80 H144 Cr8 F8 I0.4616 O32 -","- C640 H1152 Cr64 F64 I3.6928 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.08","0.0582","","","0.1534","0.1656","","","","","","1.032","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047617","34.702","0.001","16.561","0.0005","44.493","0.002","90","","111.207","0.004","90","","23838.5","1.6","199.7","0.1","199.7","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.29 O32 -","- C80 H144 Cr8 F8 I0.2926 O32 -","- C640 H1152 Cr64 F64 I2.3408 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.1112","0.0661","","","0.144","0.1641","","","","","","1.011","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047618","34.8212","0.0008","16.6141","0.0003","44.6966","0.0012","90","","111.247","0.003","90","","24100.4","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br0.46 Cr8 F8 O32 -","- C80 H144 Br0.458 Cr8 F8 O32 -","- C640 H1152 Br3.664 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0899","0.0626","","","0.1562","0.1706","","","","","","1.018","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047619","34.8657","0.0008","16.5762","0.0003","44.549","0.0012","90","","111.427","0.003","90","","23967.2","1.1","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Br1.41 Cr8 F8 O32 -","- C80 H144 Br1.408 Cr8 F8 O32 -","- C640 H1152 Br11.264 Cr64 F64 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0905","0.0609","","","0.1494","0.1639","","","","","","1.024","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047620","34.6932","0.0009","16.5547","0.0003","44.5153","0.0014","90","","111.259","0.003","90","","23826.9","1.2","200","","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H144 Cr8 F8 I0.4 O32 -","- C80 H144 Cr8 F8 I0.4028 O32 -","- C640 H1152 Cr64 F64 I3.2224 O256 -","8","1","","Sava, Daniel Florin; Zheng, Nan; Vitórica-Yrezábal, Iñigo J; Timco, Grigore A.; Winpenny, Richard E. P.","Binding of halogens by a Cr<sub>8</sub> metallacrown.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13771","13775","10.1039/c8dt03172j","","x-ray","0.71073","MoKα","","0.0809","0.0587","","","0.1549","0.1672","","","","","","1.038","","","","has coordinates,has disorder","229510","2020-10-21","18:00:00",""
"7047621","9.1189","0.0005","12.3968","0.0007","17.5152","0.0011","90","","97.01","0.002","90","","1965.2","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 Mn N6 O Se3 Sn -","- C8 H28 Mn N6 O Se3 Sn -","- C32 H112 Mn4 N24 O4 Se12 Sn4 -","4","1","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.0496","0.0383","","","0.0897","0.0945","","","","","","1.207","","","","has coordinates","229353","2020-10-21","18:00:00",""
"7047622","9.4497","0.0005","17.6025","0.0009","13.1121","0.0006","90","","103.617","0.002","90","","2119.74","0.18","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H24 Mn2 N4 O2 Se4 Sn -","- C8 H24 Mn2 N4 O2 Se4 Sn -","- C32 H96 Mn8 N16 O8 Se16 Sn4 -","4","0.5","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.0767","0.0689","","","0.1739","0.1766","","","","","","1.399","","","","has coordinates","229353","2020-10-21","18:00:00",""
"7047623","9.0169","0.0006","17.7404","0.0012","12.9543","0.0009","90","","90","","90","","2072.2","0.2","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C8 H26 Mn2 N6 Se4 Sn -","- C8 H26 Mn2 N6 Se4 Sn -","- C32 H104 Mn8 N24 Se16 Sn4 -","4","0.5","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.0315","0.028","","","0.0543","0.0554","","","","","","1.055","","","","has coordinates","229353","2020-10-21","18:00:00",""
"7047624","7.8032","0.0003","7.8032","0.0003","31.528","0.003","90","","90","","90","","1919.7","0.2","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C2 H8 N2 Se4 Sn Zn2 -","- C2 H8 N2 Se4 Sn Zn2 -","- C8 H32 N8 Se16 Sn4 Zn8 -","4","0.25","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.0825","0.0553","","","0.1648","0.1853","","","","","","1.063","","","","has coordinates,has disorder","229353","2020-10-21","18:00:00",""
"7047625","12.3191","0.0005","17.7104","0.0006","22.6429","0.001","90","","95.2783","0.0016","90","","4919.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H56 N12 Ni2 O Se10 Sn4 -","- C18 H56 N12 Ni2 O Se10 Sn4 -","- C72 H224 N48 Ni8 O4 Se40 Sn16 -","4","1","","Luo, Hai-Ying; Zhou, Jian","A series of new hybrid selenidostannates with metal complexes prepared in alkylol amines.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14751","14759","10.1039/c8dt03322f","","","0.71073","MoKα","","0.1014","0.0647","","","0.1478","0.1692","","","","","","1.056","","","","has coordinates","229353","2020-10-21","18:00:00",""
"7047626","8.2381","0.0006","8.3264","0.0006","9.8035","0.0007","85.166","0.003","83.523","0.003","75.803","0.002","646.64","0.08","100","1","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Cu3 O8 -","- C8 H14 Cu3 O8 -","- C16 H28 Cu6 O16 -","2","1","","Teichert, Johannes; Doert, Thomas; Ruck, Michael","Mechanisms of the polyol reduction of copper(ii) salts depending on the anion type and diol chain length.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14085","14093","10.1039/c8dt03034k","","","0.71073","MoKα","","0.0884","0.0477","","","0.0708","0.0781","","","","","","1.076","","","","has coordinates","229494","2020-10-21","18:00:00",""
"7047627","8.9445","0.0004","10.066","0.0004","11.2913","0.0004","82.15","0.002","74.759","0.002","85.368","0.002","970.6","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H36 Cl2 Fe2 N2 P2 Pd -","- C46 H36 Cl2 Fe2 N2 P2 Pd -","- C46 H36 Cl2 Fe2 N2 P2 Pd -","1","0.5","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0396","0.029","","","0.0572","0.0607","","","","","","1.038","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047628","11.9324","0.0005","14.1508","0.0007","15.7966","0.0007","108.821","0.002","101.045","0.002","109.24","0.002","2247.35","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Cl7 Fe N P2 Pd -","- C46 H40 Cl7 Fe N P2 Pd -","- C92 H80 Cl14 Fe2 N2 P4 Pd2 -","2","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0296","0.0247","","","0.0579","0.0602","","","","","","1.077","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047629","13.9367","0.0005","11.4282","0.0004","18.0078","0.0006","90","","100.323","0.001","90","","2821.7","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl Fe N2 P Pd -","- C32 H30 Cl Fe N2 P Pd -","- C128 H120 Cl4 Fe4 N8 P4 Pd4 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0278","0.022","","","0.0488","0.0507","","","","","","1.04","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047630","9.4504","0.0007","10.7329","0.0008","15.2782","0.0012","99.123","0.003","103.877","0.003","112.08","0.002","1339.77","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cl8 Fe2 N2 P2 Pd2 -","- C54 H48 Cl8 Fe2 N2 P2 Pd2 -","- C54 H48 Cl8 Fe2 N2 P2 Pd2 -","1","0.5","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0612","0.0439","","","0.0962","0.1061","","","","","","1.067","","","","has coordinates,has disorder","229967","2020-10-21","18:00:00",""
"7047631","10.0527","0.0004","19.703","0.0007","26.7727","0.0011","90","","98.947","0.002","90","","5238.3","0.4","150","2","150","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C56 H58 Cl2 Fe2 N2 O4 P2 Pd2 -","- C56 H58 Cl2 Fe2 N2 O4 P2 Pd2 -","- C224 H232 Cl8 Fe8 N8 O16 P8 Pd8 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0228","0.0217","","","0.0545","0.0552","","","","","","1.069","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047632","9.7665","0.0003","11.6683","0.0004","17.554","0.0007","84.011","0.002","82.117","0.001","77.953","0.001","1931.96","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H49 Fe N O6 P2 Pd -","- C40 H37 Fe N O3 P2 Pd -","- C80 H74 Fe2 N2 O6 P4 Pd2 -","2","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.032","0.0257","","","0.0592","0.0616","","","","","","1.036","","","","has coordinates,has disorder","229967","2020-10-21","18:00:00",""
"7047633","17.2257","0.0006","10.2128","0.0003","21.7891","0.0008","90","","110.493","0.001","90","","3590.6","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 Cl3 Fe N O2 P2 Pd -","- C39 H34 Cl3 Fe N O2 P2 Pd -","- C156 H136 Cl12 Fe4 N4 O8 P8 Pd4 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0254","0.0227","","","0.0571","0.0582","","","","","","1.079","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047634","25.6324","0.0012","19.4838","0.0008","16.5874","0.0007","90","","112.617","0.002","90","","7646.9","0.6","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 B Cl F4 Fe N P2 Pd -","- C43 H39 B Cl F4 Fe N P2 Pd -","- C344 H312 B8 Cl8 F32 Fe8 N8 P16 Pd8 -","8","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0667","0.0393","","","0.0728","0.0801","","","","","","1.022","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047635","10.3024","0.0005","12.6061","0.0006","17.2042","0.0008","94.486","0.002","92.885","0.002","97.209","0.002","2205.82","0.18","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H36 B Cl10 F4 Fe N2 P Pd -","- C36 H36 B Cl10 F4 Fe N2 P Pd -","- C72 H72 B2 Cl20 F8 Fe2 N4 P2 Pd2 -","2","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0339","0.0326","","","0.0789","0.08","","","","","","1.053","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047636","9.9066","0.0003","29.9557","0.0011","11.6226","0.0004","90","","90.081","0.001","90","","3449.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl Fe N P2 Pd -","- C42 H36 Cl Fe N P2 Pd -","- C168 H144 Cl4 Fe4 N4 P8 Pd4 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0398","0.0287","","","0.0623","0.066","","","","","","1.049","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047637","15.4514","0.0006","17.2509","0.0005","30.472","0.0009","90","","90","","90","","8122.3","0.5","150","2","150","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C34 H32 Cl6 F6 Fe N2 P Pd Sb -","- C34 H32 Cl6 F6 Fe N2 P Pd Sb -","- C272 H256 Cl48 F48 Fe8 N16 P8 Pd8 Sb8 -","8","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0404","0.0294","","","0.0646","0.0695","","","","","","1.019","","","","has coordinates,has disorder","229967","2020-10-21","18:00:00",""
"7047638","15.3228","0.0005","9.4826","0.0003","19.3688","0.0006","90","","97.717","0.001","90","","2788.8","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl Fe N2 P Pd -","- C32 H30 Cl Fe N2 P Pd -","- C128 H120 Cl4 Fe4 N8 P4 Pd4 -","4","1","","Škoch, Karel; Císařová, Ivana; Uhlík, Filip; Štěpnička, Petr","Comparing the reactivity of isomeric phosphinoferrocene nitrile and isocyanide in Pd(ii) complexes: synthesis of simple coordination compounds vs. preparation of P-chelated insertion products and Fischer-type carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16082","16101","10.1039/c8dt03564d","","","0.71073","MoKα","","0.0237","0.0201","","","0.0511","0.0529","","","","","","1.042","","","","has coordinates","229967","2020-10-21","18:00:00",""
"7047639","11.5703","0.0012","13.3854","0.0015","11.046","0.0012","90","","118.061","0.003","90","","1509.6","0.3","147","2","147","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H14 Cl2 O2 Sn -","- C14 H14 Cl2 O2 Sn -","- C56 H56 Cl8 O8 Sn4 -","4","1","","Dhindsa, J. S.; Jacobs, B. F.; Lough, A. J.; Foucher, D. A.","""Push-push and push-pull"" polystannanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14094","14100","10.1039/c8dt03043j","","","0.71073","MoKα","","0.0409","0.0318","","","0.0582","0.0613","","","","","","1.102","","","","has coordinates","229497","2020-10-21","18:00:00",""
"7047640","25.118","0.0018","5.8625","0.0004","15.0463","0.0016","90","","90","","90","","2215.6","0.3","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C108 H80 B4 N4 O20 -","- C108 H80 B4 N4 O20 -","- C108 H80 B4 N4 O20 -","1","0.25","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54178","CuKα","","0.0715","0.0482","","","0.097","0.1083","","","","","","1.014","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047641","9.8468","0.0004","10.1242","0.0004","10.1222","0.0003","90","","103.228","0.002","90","","982.32","0.06","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C1.72 H1.24 B0.07 N0.07 O0.21 -","- C1.72414 H1.24138 B0.0689655 N0.0689655 O0.206897 -","- C50 H36 B2 N2 O6 -","29","14.5","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54178","CuKα","","0.0339","0.0327","","","0.0846","0.0858","","","","","","1.046","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047642","14.1106","0.0009","9.7939","0.0006","15.4646","0.0008","90","","90","","90","","2137.2","0.2","173","2","173","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C26 H20 B N O4 -","- C26 H20 B N O4 -","- C104 H80 B4 N4 O16 -","4","1","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54184","CuKα","","0.0644","0.044","","","0.0923","0.1085","","","","","","0.951","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047643","39.352","0.003","13.008","0.0006","16.4737","0.001","90","","95.835","0.007","90","","8389","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 B2 N2 O8 -","- C52 H36 B2 N2 O8 -","- C416 H288 B16 N16 O64 -","8","1","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54184","CuKα","","0.0932","0.05","","","0.105","0.1253","","","","","","1.086","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047644","10.3039","0.0003","15.2929","0.0004","14.3427","0.0004","90","","90.422","0.003","90","","2260.01","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 B N2 O3 -","- C27 H23 B N2 O3 -","- C108 H92 B4 N8 O12 -","4","1","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54184","CuKα","","0.0579","0.0435","","","0.1208","0.1274","","","","","","1.131","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047645","10.3317","0.0013","15.4676","0.0014","15.5196","0.0016","90","","90.33","0.01","90","","2480.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2.95 H2.42 B0.11 N0.21 O0.53 -","- C2.94737 H2.42105 B0.105263 N0.210526 O0.526316 -","- C112 H92 B4 N8 O20 -","38","9.5","","Li, Kang; Cui, Jichun; Yang, Zeren; Huo, Yanmin; Duan, Wenzeng; Gong, Shuwen; Liu, Zhipeng","Solvatochromism, acidochromism and aggregation-induced emission of propeller-shaped spiroborates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15002","15008","10.1039/c8dt03374a","","","1.54178","CuKα","","0.1735","0.0854","","","0.2409","0.2909","","","","","","1.006","","","","has coordinates","229482","2020-10-21","18:00:00",""
"7047646","22.4281","0.0007","22.4281","0.0007","11.1579","0.0008","90","","90","","90","","5612.6","0.5","170","2","170","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C12 H8 N2 O5 Pb2 -","- C12 H8 N2 O5 Pb2 -","- C192 H128 N32 O80 Pb32 -","16","","","Zhai, Lu; Wu, Xiao-Shuo; Wang, Yi-Xiong; Li, Shan-Qing; Qian, Yin; Wang, Xiao-Zu; Ren, Xiaoming","Metal ion coordination enhancing quantum efficiency of ligand phosphorescence in a double-stranded helical chain coordination polymer of Pb2+ with nicotinic acid","Dalton Transactions","2018","","","","","10.1039/C8DT03589J","","","0.71073","MoKα","","0.0482","0.0387","","","0.0886","0.093","","","","","","1.03","","","","has coordinates","211166","2020-10-21","18:00:00",""
"7047647","12.4522","0.001","12.576","0.0009","13.8786","0.0008","116.729","0.002","95.812","0.002","106.593","0.002","1792.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Chloro-{4-Ferrocenyl-1,3-di(2,6-diprop-2-ylphenyl)-3H-[1,2,3]triazol-5-ium}-gold","","- C36 H43 Au Cl Fe N3 -","- C36 H43 Au Cl Fe N3 -","- C72 H86 Au2 Cl2 Fe2 N6 -","2","1","","Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.","Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16072","16081","10.1039/c8dt03116a","","","0.71073","MoKα","","0.0501","0.0342","","","0.0623","0.0665","","","","","","1.021","","","","has coordinates","229969","2020-10-21","18:00:00",""
"7047648","10.6222","0.0005","15.5756","0.0008","22.4569","0.001","84.881","0.002","82.43","0.002","73.391","0.002","3524.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Bis{4-Ferrocenyl-1,3-di(2,6-diprop-2-ylphenyl)-3H-[1,2,3]triazol-5-ium}-silver hexaflurophosphate dicloromethane solvate","","- C73 H88 Ag Cl2 F6 Fe2 N6 P -","- C73 H88 Ag Cl2 F6 Fe2 N6 P -","- C146 H176 Ag2 Cl4 F12 Fe4 N12 P2 -","2","1","","Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.","Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16072","16081","10.1039/c8dt03116a","","","0.71073","MoKα","","0.0536","0.0372","","","0.0847","0.0918","","","","","","1.038","","","","has coordinates,has disorder","229969","2020-10-21","18:00:00",""
"7047649","10.7939","0.0019","22.047","0.004","15.733","0.003","90","","90.785","0.007","90","","3743.7","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{4-Ferrocenyl-1,3-di(2,6-diprop-2-ylphenyl)-3H-[1,2,3]triazol-5-ium}-phenyl-gold","","- C42 H48 Au Fe N3 -","- C42 H48 Au Fe N3 -","- C168 H192 Au4 Fe4 N12 -","4","1","","Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.","Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16072","16081","10.1039/c8dt03116a","","","0.71073","MoKα","","0.0253","0.021","","","0.048","0.05","","","","","","1.088","","","","has coordinates","229969","2020-10-21","18:00:00",""
"7047650","12.2845","0.001","34.873","0.003","22.3896","0.0017","90","","101.251","0.002","90","","9407.3","1.3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Au F6 N3 P2 -","- C50 H54 Au F6 N3 P2 -","- C400 H432 Au8 F48 N24 P16 -","8","2","","Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.","Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16072","16081","10.1039/c8dt03116a","","","0.71073","MoKα","","0.0785","0.0677","","","0.1448","0.1488","","","","","","1.309","","","","has coordinates,has disorder","229969","2020-10-21","18:00:00",""
"7047651","17.8411","0.0008","11.8539","0.0006","26.3035","0.0013","90","","97.359","0.002","90","","5517","0.5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","{4-Ferrocenyl-1,3-di(2,6-diprop-2-ylphenyl)-3H-[1,2,3]triazol-5-ium}-triphenylphosphinyl-gold hexaflurophosphate deutero-tricloromethane solvate","","- C55 H58 Au Cl3 D F6 Fe N3 P2 -","- C55 H58 Au Cl3 D F6 Fe N3 P2 -","- C220 H232 Au4 Cl12 D4 F24 Fe4 N12 P8 -","4","1","","Aucamp, Danielle; Kumar, Sreedhar V.; Liles, David C.; Fernandes, Manuel A.; Harmse, Leonie; Bezuidenhout, Daniela I.","Synthesis of heterobimetallic gold(i) ferrocenyl-substituted 1,2,3-triazol-5-ylidene complexes as potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16072","16081","10.1039/c8dt03116a","","","0.71073","MoKα","","0.0338","0.0244","","","0.0494","0.0523","","","","","","1.027","","","","has coordinates","229969","2020-10-21","18:00:00",""
"7047652","13.8129","0.0004","6.9184","0.0002","29.6985","0.0009","90","","103.268","0.003","90","","2762.33","0.14","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Au Br Cl3 N3 O4 P -","- C23 H23 Au Br Cl3 N3 O4 P -","- C92 H92 Au4 Br4 Cl12 N12 O16 P4 -","4","1","","Afolabi, Fatai; Souissi, Wided; Rivière, Guillaume; Lemaitre, Clément; Roe, S. Mark; Crickmore, Neil; Viseux, Eddy M. E.","Synthesis of novel heteroleptic delocalised cationic pyrazole gold complexes as potent HepG2 cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15338","15343","10.1039/c8dt02832j","","x-ray","1.54184","CuKα","","0.0554","0.0497","","","0.1424","0.1452","","","","","","1.152","","","","has coordinates","229437","2020-10-21","18:00:00",""
"7047653","18.9094","0.0006","16.388","0.0005","17.9115","0.0005","90","","90","","90","","5550.5","0.3","173","","173","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C27 H23 Au Br Cl N3 O4 P -","- C27 H23 Au Br Cl N3 O4 P -","- C216 H184 Au8 Br8 Cl8 N24 O32 P8 -","8","1","","Afolabi, Fatai; Souissi, Wided; Rivière, Guillaume; Lemaitre, Clément; Roe, S. Mark; Crickmore, Neil; Viseux, Eddy M. E.","Synthesis of novel heteroleptic delocalised cationic pyrazole gold complexes as potent HepG2 cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15338","15343","10.1039/c8dt02832j","","x-ray","1.54184","CuKα","","0.0911","0.0755","","","0.201","0.2154","","","","","","1.057","","","","has coordinates","229437","2020-10-21","18:00:00",""
"7047654","13.2511","0.0011","14.8189","0.0013","15.7353","0.0012","66.312","0.008","74.845","0.007","66.97","0.008","2584","0.4","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H23 Au Cl N4 O5 P -","- C24 H23 Au Cl N4 O5 P -","- C96 H92 Au4 Cl4 N16 O20 P4 -","4","2","","Afolabi, Fatai; Souissi, Wided; Rivière, Guillaume; Lemaitre, Clément; Roe, S. Mark; Crickmore, Neil; Viseux, Eddy M. E.","Synthesis of novel heteroleptic delocalised cationic pyrazole gold complexes as potent HepG2 cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15338","15343","10.1039/c8dt02832j","","x-ray","1.54184","CuKα","","0.0376","0.0338","","","0.0905","0.0938","","","","","","1.021","","","","has coordinates,has disorder","229437","2020-10-21","18:00:00",""
"7047655","12.7645","0.0004","15.6061","0.0005","16.4732","0.0004","105.959","0.002","93.268","0.002","112.402","0.003","2868.23","0.17","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H25 Au Br Cl N3 O4 P -","- C28 H25 Au Br Cl N3 O4 P -","- C112 H100 Au4 Br4 Cl4 N12 O16 P4 -","4","2","","Afolabi, Fatai; Souissi, Wided; Rivière, Guillaume; Lemaitre, Clément; Roe, S. Mark; Crickmore, Neil; Viseux, Eddy M. E.","Synthesis of novel heteroleptic delocalised cationic pyrazole gold complexes as potent HepG2 cytotoxic agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15338","15343","10.1039/c8dt02832j","","x-ray","1.54184","CuKα","","0.0618","0.0612","","","0.1639","0.1649","","","","","","1.093","","","","has coordinates","229437","2020-10-21","18:00:00",""
"7047656","31.606","0.002","10.2542","0.0007","18.4969","0.0013","90","","92.8494","0.0015","90","","5987.3","0.7","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H47 N S U -","- C32.009 H29 N S1.3886 U -","- C256.072 H232 N8 S11.1088 U8 -","8","1","","Pagano, Justin K.; Arney, David S. J.; Scott, Brian L.; Morris, David E.; Kiplinger, Jaqueline L.; Burns, Carol J.","A sulphur and uranium fiesta! Synthesis, structure, and characterization of neutral terminal uranium(vi) monosulphide, uranium(vi) η<sup>2</sup>-disulphide, and uranium(iv) phosphine sulphide complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","50","57","10.1039/c8dt02932f","","","0.71073","MoKα","","0.0454","0.0343","","","0.0861","0.0922","","","","","","1.092","","","","has coordinates,has disorder","223940","2020-10-21","18:00:00",""
"7047657","8.88","0.0019","11.262","0.003","13.201","0.003","90.873","0.004","104.888","0.004","105.925","0.005","1221.7","0.5","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H41 Ge N3 Si2 -","- C17 H41 Ge N3 Si2 -","- C34 H82 Ge2 N6 Si4 -","2","1","","Sodreau, Alexandre; Mallet-Ladeira, Sonia; Lachaize, Sebastien; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Madec, David; Nayral, Céline; Delpech, Fabien","Designed single-source precursors for iron germanide nanoparticles: colloidal synthesis and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15114","15120","10.1039/c8dt02942c","","","0.71073","MoKα","","0.0497","0.0336","","","0.086","0.0921","","","","","","1.038","","","","has coordinates","229481","2020-10-21","18:00:00",""
"7047658","14.2986","0.001","12.8496","0.0008","15.7161","0.001","90","","96.027","0.002","90","","2871.6","0.3","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 Fe Ge N3 O4 Si2 -","- C21 H41 Fe Ge N3 O4 Si2 -","- C84 H164 Fe4 Ge4 N12 O16 Si8 -","4","1","","Sodreau, Alexandre; Mallet-Ladeira, Sonia; Lachaize, Sebastien; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Madec, David; Nayral, Céline; Delpech, Fabien","Designed single-source precursors for iron germanide nanoparticles: colloidal synthesis and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15114","15120","10.1039/c8dt02942c","","x-ray","0.71073","MoKα","","0.0379","0.0256","","","0.06","0.0662","","","","","","1.047","","","","has coordinates","229481","2020-10-21","18:00:00",""
"7047659","10.282","0.0003","11.9687","0.0003","14.2478","0.0005","90","","103.695","0.0008","90","","1703.52","0.09","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TcN(Cl)2bpa","","- C14 H16 Cl2 N5 Tc -","- C14 H16 Cl2 N5 Tc -","- C56 H64 Cl8 N20 Tc4 -","4","1","","Yoshimura, Takashi; Nagata, Kojiro; Shiroyama, Tatsuki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi","A luminescent dicyanidonitridotechnetium(v) core with tridentate ligand coordination sites.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16027","16030","10.1039/c8dt02935k","","","0.71075","MoKα","","0.0469","0.0333","","","0.0736","0.0958","","","","","","1.164","","","","has coordinates","229966","2020-10-21","18:00:00",""
"7047660","7.3182","0.0003","10.7602","0.0004","12.5043","0.0005","66.5421","0.0017","87.0938","0.0014","72.793","0.002","860.32","0.06","170","","170","","","","","","","","","4","P -1","-P 1","2","","TcNCN2bpa","","- C17.5 H17 N6 Tc -","- C17.5 H17 N6 Tc -","- C35 H34 N12 Tc2 -","2","1","","Yoshimura, Takashi; Nagata, Kojiro; Shiroyama, Tatsuki; Kino, Yasushi; Takayama, Tsutomu; Sekine, Tsutomu; Shinohara, Atsushi","A luminescent dicyanidonitridotechnetium(v) core with tridentate ligand coordination sites.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16027","16030","10.1039/c8dt02935k","","","0.71075","MoKα","","0.0901","0.0795","","","0.1953","0.2022","","","","","","1.209","","","","has coordinates,has disorder","229966","2020-10-21","18:00:00",""
"7047661","11.2403","0.0006","18.4973","0.0009","25.9605","0.0014","90","","95.945","0.002","90","","5368.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H79 B2 Ge2 N7 -","- C54 H79 B2 Ge2 N7 -","- C216 H316 B8 Ge8 N28 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Ketkov, Sergey; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Diverse reactivity of a boraguanidinato germylene toward organic pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14880","14883","10.1039/c8dt03357a","","","0.71073","MoKα","","0.0573","0.0417","","","0.0954","0.1066","","","","","","1.12","","","","has coordinates","229477","2020-10-21","18:00:00",""
"7047662","8.3231","0.0019","18.979","0.004","19.558","0.004","90","","90","","90","","3089.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B Ge N4 O -","- C33 H47 B Ge N4 O -","- C132 H188 B4 Ge4 N16 O4 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Ketkov, Sergey; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Diverse reactivity of a boraguanidinato germylene toward organic pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14880","14883","10.1039/c8dt03357a","","","0.71073","MoKα","","0.1249","0.1063","","","0.2785","0.2857","","","","","","1.217","","","","has coordinates","229477","2020-10-21","18:00:00",""
"7047663","12.1642","0.0006","15.7945","0.0009","16.2275","0.0008","64.044","0.002","81.299","0.003","86.724","0.003","2770.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 B Ge N4 O -","- C27 H41 B Ge N4 O -","- C108 H164 B4 Ge4 N16 O4 -","4","2","","Böserle, Jiří; Zhigulin, Grigory; Ketkov, Sergey; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Diverse reactivity of a boraguanidinato germylene toward organic pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14880","14883","10.1039/c8dt03357a","","","0.71073","MoKα","","0.1336","0.0738","","","0.1495","0.1741","","","","","","1.047","","","","has coordinates","229477","2020-10-21","18:00:00",""
"7047664","17.3594","0.0008","11.7876","0.0005","36.489","0.0017","90","","91.649","0.001","90","","7463.5","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H103 B3 Ge3 N9 S -","- C66 H96 B3 Ge3 N9 S -","- C264 H384 B12 Ge12 N36 S4 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Ketkov, Sergey; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Diverse reactivity of a boraguanidinato germylene toward organic pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14880","14883","10.1039/c8dt03357a","","","0.71073","MoKα","","0.046","0.0332","","","0.0746","0.0792","","","","","","1.021","","","","has coordinates","229477","2020-10-21","18:00:00",""
"7047665","12.138","0.003","14.763","0.004","21.449","0.006","80.601","0.004","82.922","0.003","76.161","0.003","3667.6","1.7","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C6 H29.5 K0.1 Mo6 N6 Na0.9 O33.25 P4 -","- C6 H31.7 K0.1 Mo6 N6 Na0.9 O33.25 P4 -","- C24 H126.8 K0.4 Mo24 N24 Na3.6 O133 P16 -","4","2","","Tian, Xuerui; Hou, Lin; Wang, Jiaojiao; Xin, Xing; Zhang, Heng; Ma, Yuan-Yuan; Wang, Yali; Zhang, Lina; Han, Zhangang","Novel fully reduced phosphomolybdates for highly efficient removal of inorganic hexavalent chromium and organic dye methylene blue","Dalton Transactions","2018","","","","","10.1039/C8DT03250E","","","0.71073","MoKα","","0.0653","0.0533","","","0.1428","0.1719","","","","","","1.109","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7047666","13.4222","0.0006","13.8149","0.0005","14.9831","0.0006","69.457","0.003","72.168","0.004","69.964","0.004","2388.88","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H17 Mo6 N2 Na2 O39 P4 Sr -","- C13 H18 Mo6 N2 Na2 O39 P4 Sr -","- C26 H36 Mo12 N4 Na4 O78 P8 Sr2 -","2","1","","Tian, Xuerui; Hou, Lin; Wang, Jiaojiao; Xin, Xing; Zhang, Heng; Ma, Yuan-Yuan; Wang, Yali; Zhang, Lina; Han, Zhangang","Novel fully reduced phosphomolybdates for highly efficient removal of inorganic hexavalent chromium and organic dye methylene blue","Dalton Transactions","2018","","","","","10.1039/C8DT03250E","","","0.71073","MoKα","","0.0522","0.0422","","","0.1091","0.1167","","","","","","1.047","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7047667","31.777","0.0004","31.777","0.0004","36.0323","0.0008","90","","90","","90","","36384.6","1","293","2","293","2","","","","","","","","8","I 41/a c d","-I 4bd 2c","142","","","","- C52 H64 Ca2 Mo24 N8 Na4 O132 P16 -","- C52 H64 Ca2 Mo24 N8 Na4 O136 P16 -","- C416 H512 Ca16 Mo192 N64 Na32 O1088 P128 -","8","","","Tian, Xuerui; Hou, Lin; Wang, Jiaojiao; Xin, Xing; Zhang, Heng; Ma, Yuan-Yuan; Wang, Yali; Zhang, Lina; Han, Zhangang","Novel fully reduced phosphomolybdates for highly efficient removal of inorganic hexavalent chromium and organic dye methylene blue","Dalton Transactions","2018","","","","","10.1039/C8DT03250E","","","0.71073","MoKα","","0.0855","0.0686","","","0.1484","0.1622","","","","","","1.113","","","","has coordinates,has disorder","211208","2020-10-21","18:00:00",""
"7047668","25.313","0.0006","19.1246","0.0005","15.9741","0.0004","90","","100.847","0.002","90","","7594.9","0.3","170","2","170","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H108 K N12 Nb9 Ni3 O46 Ti -","- C30 H72 K N12 Nb9 Ni3 O46 Ti -","- C120 H288 K4 N48 Nb36 Ni12 O184 Ti4 -","4","0.5","","Dopta, Joanna; Grzanna, Sven; Näther, Christian; Bensch, Wolfgang","On the influence of the titanium source on the composition and structure of novel titanoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15103","15113","10.1039/c8dt02835d","","","0.71073","MoKα","","0.0604","0.0522","","","0.1376","0.1415","","","","","","1.184","","","","has coordinates,has disorder","229478","2020-10-21","18:00:00",""
"7047669","11.6781","0.0005","13.7488","0.0008","22.6762","0.0013","103.762","0.004","90.404","0.004","98.135","0.004","3497.6","0.3","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H100 K N12 Nb9 Ni3 O42 Ti -","- C30 H72 K N12 Nb9 Ni3 O42 Ti -","- C60 H144 K2 N24 Nb18 Ni6 O84 Ti2 -","2","1","","Dopta, Joanna; Grzanna, Sven; Näther, Christian; Bensch, Wolfgang","On the influence of the titanium source on the composition and structure of novel titanoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15103","15113","10.1039/c8dt02835d","","","0.71073","MoKα","","0.0864","0.0573","","","0.1392","0.1548","","","","","","1.021","","","","has coordinates,has disorder","229478","2020-10-21","18:00:00",""
"7047670","18.8775","0.0006","21.9384","0.0005","14.6624","0.0004","90","","128.456","0.002","90","","4755.1","0.3","170","2","170","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H140 N16 Nb8 Ni4 O50 Ti2 -","- C40 H96 N16 Nb8 Ni4 O50 Ti2 -","- C80 H192 N32 Nb16 Ni8 O100 Ti4 -","2","0.25","","Dopta, Joanna; Grzanna, Sven; Näther, Christian; Bensch, Wolfgang","On the influence of the titanium source on the composition and structure of novel titanoniobates.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15103","15113","10.1039/c8dt02835d","","","0.71073","MoKα","","0.0348","0.0299","","","0.0837","0.0863","","","","","","1.057","","","","has coordinates,has disorder","229478","2020-10-21","18:00:00",""
"7047671","8.0365","0.0006","18.6296","0.0014","20.1267","0.0015","66.46","0.002","83.003","0.002","82.317","0.002","2730","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H128 Co N8 O10 -","- C136 H128 Co N8 O10 -","- C136 H128 Co N8 O10 -","1","0.5","","Nar, Ilgın; Atsay, Armağan; Pekbelgin Karaoğlu, Hande; Altındal, Ahmet; Hamuryudan, Esin","π-Extended hexadeca-substituted cobalt phthalocyanine as an active layer for organic field-effect transistors.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15017","15023","10.1039/c8dt02948b","","","0.71073","MoKα","","0.1123","0.0634","","","0.1455","0.1713","","","","","","1.038","","","","has coordinates","229487","2020-10-21","18:00:00",""
"7047672","12.8448","0.0006","24.345","0.0014","13.5498","0.0007","90","","110.8","0.006","90","","3961","0.4","170","2","170","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C80 H67 Cl6 Fe4 N17 O9 -","- C80 H67 Cl6 Fe4 N17 O9 -","- C160 H134 Cl12 Fe8 N34 O18 -","2","0.5","","Ayad, Massinisa; Klein Gebbink, Robertus J. M.; Le Mest, Yves; Schollhammer, Philippe; Le Poul, Nicolas; Pétillon, François Y; Mandon, Dominique","Mononuclear iron(ii) complexes containing a tripodal and macrocyclic nitrogen ligand: synthesis, reactivity and application in cyclohexane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15596","15612","10.1039/c8dt02952k","","x-ray","0.71073","MoKα","","0.1408","0.0749","","","0.1736","0.2199","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7047673","15.153","0.003","13.63","0.002","16.654","0.003","90","","107.23","0.02","90","","3285.3","1.1","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H29 Cl2 Fe N7 O2 -","- C37 H29 Cl2 Fe N7 O2 -","- C148 H116 Cl8 Fe4 N28 O8 -","4","1","","Ayad, Massinisa; Klein Gebbink, Robertus J. M.; Le Mest, Yves; Schollhammer, Philippe; Le Poul, Nicolas; Pétillon, François Y; Mandon, Dominique","Mononuclear iron(ii) complexes containing a tripodal and macrocyclic nitrogen ligand: synthesis, reactivity and application in cyclohexane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15596","15612","10.1039/c8dt02952k","","x-ray","0.71073","MoKα","","0.1888","0.0769","","","0.0771","0.0969","","","","","","0.822","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7047674","11.6048","0.0004","13.6563","0.0006","14.1144","0.0004","116.401","0.004","92.178","0.003","109.682","0.004","1839.14","0.16","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 F6 Fe N7 O6 S2 -","- C34 H31 F6 Fe N7 O6 S2 -","- C68 H62 F12 Fe2 N14 O12 S4 -","2","1","","Ayad, Massinisa; Klein Gebbink, Robertus J. M.; Le Mest, Yves; Schollhammer, Philippe; Le Poul, Nicolas; Pétillon, François Y; Mandon, Dominique","Mononuclear iron(ii) complexes containing a tripodal and macrocyclic nitrogen ligand: synthesis, reactivity and application in cyclohexane oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15596","15612","10.1039/c8dt02952k","","x-ray","0.71073","MoKα","","0.0524","0.0396","","","0.0982","0.106","","","","","","1.054","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7047675","15.8911","0.0004","10.2319","0.0003","38.2603","0.0017","90","","98.395","0.003","90","","6154.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H74 Co F3 N2 O7 S -","- C69 H74 Co F3 N2 O7 S -","- C276 H296 Co4 F12 N8 O28 S4 -","4","1","","Piskunov, Alexandr V.; Pashanova, Kira I.; Bogomyakov, Artem S.; Smolyaninov, Ivan V.; Starikov, Andrey G.; Fukin, Georgy K.","Cobalt complexes with hemilabile o-iminobenzoquinonate ligands: a novel example of redox-induced electron transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15049","15060","10.1039/c8dt02733a","","","0.71073","MoKα","","0.1395","0.0847","","","0.1813","0.21","","","","","","1.063","","","","has coordinates,has disorder","229486","2020-10-21","18:00:00",""
"7047676","9.8173","0.0005","18.7393","0.001","24.5585","0.0013","90","","90","","90","","4518","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H58 Co N2 O4 -","- C54 H58 Co N2 O4 -","- C216 H232 Co4 N8 O16 -","4","0.5","","Piskunov, Alexandr V.; Pashanova, Kira I.; Bogomyakov, Artem S.; Smolyaninov, Ivan V.; Starikov, Andrey G.; Fukin, Georgy K.","Cobalt complexes with hemilabile o-iminobenzoquinonate ligands: a novel example of redox-induced electron transfer.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15049","15060","10.1039/c8dt02733a","","","0.71073","MoKα","","0.042","0.0361","","","0.0934","0.0964","","","","","","1.038","","","","has coordinates","229486","2020-10-21","18:00:00",""
"7047677","10.1716","0.0004","20.3819","0.0009","16.9731","0.0007","90","","91.121","0.002","90","","3518.1","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(phen)2Ru(dmbp)]Cl2","","","- C38 H33 Cl2 N7 O3 Ru -","- C38 H33 Cl2 N7 O3 Ru -","- C152 H132 Cl8 N28 O12 Ru4 -","4","1","","Qu, Fengrui; Martinez, Kristina; Arcidiacono, Ashley M.; Park, Seungjo; Zeller, Matthias; Schmehl, Russell H.; Paul, Jared J.; Kim, Yonghyun; Papish, Elizabeth T.","Sterically demanding methoxy and methyl groups in ruthenium complexes lead to enhanced quantum yields for blue light triggered photodissociation.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15685","15693","10.1039/c8dt03295e","","","0.71073","MoKα","","0.0308","0.0249","","","0.0638","0.0681","","","","","","1.044","","","","has coordinates","229286","2020-10-21","18:00:00",""
"7047678","11.3144","0.0006","12.0995","0.0006","15.7429","0.0008","91.563","0.003","97.122","0.003","107.14","0.002","2038.94","0.18","223","2","223","2","","","","","","","","6","P -1","-P 1","2","[(neo)2Ru(4,4'-dhbp)]Cl2","","","- C38 H32 Cl2 N6 O2 Ru -","- C38 H32 Cl2 N6 O2 Ru -","- C76 H64 Cl4 N12 O4 Ru2 -","2","1","","Qu, Fengrui; Martinez, Kristina; Arcidiacono, Ashley M.; Park, Seungjo; Zeller, Matthias; Schmehl, Russell H.; Paul, Jared J.; Kim, Yonghyun; Papish, Elizabeth T.","Sterically demanding methoxy and methyl groups in ruthenium complexes lead to enhanced quantum yields for blue light triggered photodissociation.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15685","15693","10.1039/c8dt03295e","","","0.71073","MoKα","","0.0481","0.038","","","0.0934","0.0977","","","","","","1.05","","","","has coordinates","229286","2020-10-21","18:00:00",""
"7047679","20.228","0.003","16.09","0.002","14.644","0.002","90","","99.626","0.002","90","","4699.1","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N4 O15 Zn2 -","- C35 H24 N2 O11 Zn2 -","- C140 H96 N8 O44 Zn8 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Xiao-Hui; Kang, Yan-Shang; Wang, Peng; Sun, Wei-Yin","Novel metal-organic frameworks with high stability for selectively sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15399","15404","10.1039/c8dt03551b","","","0.71073","MoKα","","0.0716","0.0468","","","0.155","0.1893","","","","","","1.002","","","","has coordinates","229434","2020-10-21","18:00:00",""
"7047680","20.2688","0.001","16.1961","0.0007","14.506","0.0006","90","","100.178","0.001","90","","4687","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Co2 N4 O16 -","- C35 H24 Co2 N2 O11 -","- C140 H96 Co8 N8 O44 -","4","1","","Liu, Yi; Zhao, Yue; Liu, Xiao-Hui; Kang, Yan-Shang; Wang, Peng; Sun, Wei-Yin","Novel metal-organic frameworks with high stability for selectively sensing nitroaromatics.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15399","15404","10.1039/c8dt03551b","","","0.71073","MoKα","","0.0478","0.0368","","","0.1075","0.1155","","","","","","1.081","","","","has coordinates","229434","2020-10-21","18:00:00",""
"7047681","7.3864","0.0003","12.2916","0.0004","12.5264","0.0004","115.972","0.001","106.724","0.001","94.804","0.001","949.67","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu2 I2 S2 -","- C16 H14 Cu2 I2 S2 -","- C32 H28 Cu4 I4 S4 -","2","1","","Bai, Shi-Qiang; Wong, Ivy Hoi Ka; Zhang, Nan; Lin Ke, Karen; Lin, Ming; Young, David James; Hor, T. S. Andy","A new 3-D coordination polymer as a precursor for CuI-based thermoelectric composites.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16292","16298","10.1039/c8dt03219j","","","0.71073","MoKα","","0.0405","0.0298","","","0.0719","0.0793","","","","","","1.067","","","","has coordinates","229958","2020-10-21","18:00:00",""
"7047682","10.0657","0.0003","37.2319","0.0009","18.482","0.0005","90","","117.426","0.002","90","","6147.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H35 Dy3 F18 N2 O15 -","- C58 H35 Dy3 F18 N2 O15 -","- C232 H140 Dy12 F72 N8 O60 -","4","1","","Chen, Zhi; Lan, Yanhua; Su, Chenliang; Zhang, Yi-Quan; Wernsdorfer, Wolfgang","A belt-like one-dimensional Dy chain exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15298","15302","10.1039/c8dt03751e","","","0.71073","MoKα","","0.0746","0.0492","","","0.0854","0.0908","","","","","","1.007","","","","has coordinates,has disorder","229442","2020-10-21","18:00:00",""
"7047683","25.4257","0.0012","25.2741","0.0012","24.3365","0.0012","90","","90.9478","0.0016","90","","15636.8","1.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H36 N4 S4 Th -","- C44 H36 N4 S4 Th -","- C704 H576 N64 S64 Th16 -","16","4","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0957","0.0522","","","0.1002","0.1175","","","","","","0.958","","","","has coordinates,has disorder","229342","2020-10-21","18:00:00",""
"7047684","26.3395","0.0013","12.7499","0.0006","17.3963","0.0008","90","","114.297","0.0009","90","","5324.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 F20 N4 O2 Se4 Th -","- C52 H32 F20 N4 O2 Se4 Th -","- C208 H128 F80 N16 O8 Se16 Th4 -","4","0.5","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0358","0.0271","","","0.0605","0.0635","","","","","","1.005","","","","has coordinates,has disorder","229342","2020-10-21","18:00:00",""
"7047685","15.1881","0.001","21.6317","0.0014","15.651","0.001","90","","111.146","0.001","90","","4795.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N6 S4 Th -","- C54 H46 N6 S4 Th -","- C216 H184 N24 S16 Th4 -","4","1","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0596","0.0394","","","0.0736","0.0792","","","","","","1.004","","","","has coordinates","229342","2020-10-21","18:00:00",""
"7047686","20.895","0.002","9.4734","0.0011","22.815","0.003","90","","100.916","0.0014","90","","4434.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 N5 Se4 Th -","- C49 H41 N5 Se4 Th -","- C196 H164 N20 Se16 Th4 -","4","1","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0572","0.0404","","","0.0879","0.0952","","","","","","1.03","","","","has coordinates","229342","2020-10-21","18:00:00",""
"7047687","26.2472","0.0011","12.598","0.0005","17.2129","0.0007","90","","114.189","0.0007","90","","5191.9","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 F20 N4 O2 S4 Th -","- C52 H32 F20 N4 O2 S4 Th -","- C208 H128 F80 N16 O8 S16 Th4 -","4","0.5","","Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14652","14661","10.1039/c8dt02543f","","","0.71073","MoKα","","0.0349","0.0289","","","0.0648","0.0669","","","","","","1.009","","","","has coordinates,has disorder","229342","2020-10-21","18:00:00",""
"7047688","12.9717","0.0005","12.9717","0.0005","16.319","0.0007","90","","90","","90","","2745.92","0.19","139","2","139","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Gd4 N1.4 O38.6 S4 -","- C30.8 H45.4 Gd4 N1.4 O38.6 S4 -","- C61.6 H90.8 Gd8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0186","0.018","","","0.0389","0.0391","","","","","","1.061","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047689","12.8363","0.0002","12.8363","0.0002","16.2028","0.0004","90","","90","","90","","2669.75","0.09","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Er4 N1.4 O38.6 S4 -","- C30.8 H45.4 Er4 N1.4 O38.6 S4 -","- C61.6 H90.8 Er8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0226","0.0216","","","0.0406","0.041","","","","","","1.018","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047690","12.8759","0.0006","12.8759","0.0006","16.2369","0.0007","90","","90","","90","","2691.9","0.2","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Ho4 N1.4 O38.6 S4 -","- C30.8 H45.4 Ho4 N1.4 O38.6 S4 -","- C61.6 H90.8 Ho8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.0208","0.0201","","","0.0395","0.0397","","","","","","1.004","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047691","12.8964","0.0004","12.8964","0.0004","16.2519","0.0006","90","","90","","90","","2702.97","0.15","296","2","296.15","","","","","","","","","6","I -4","I -4","82","","","","- C30.8 H45.4 Dy4 N1.4 O38.6 S4 -","- C30.8 H45.4 Dy4 N1.4 O38.6 S4 -","- C61.6 H90.8 Dy8 N2.8 O77.2 S8 -","2","0.25","","Bera, Siba Prasad; Mondal, Arpan; Roy, Subhadip; Dey, Bijoy; Santra, Atanu; Konar, Sanjit","3D isomorphous lanthanide coordination polymers displaying magnetic refrigeration, slow magnetic relaxation and tunable proton conduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15405","15415","10.1039/c8dt03498b","","","0.71073","MoKα","","0.017","0.0166","","","0.0338","0.034","","","","","","0.918","","","","has coordinates,has disorder","229435","2020-10-21","18:00:00",""
"7047692","34.7169","0.0013","34.7169","0.0013","45.3651","0.0019","90","","90","","90","","54677","4","296","2","296","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- Cu14 H62 Na9 O195 Si4 Te10 W36 -","- Cu14 Na9 O175.5 Si4 Te10 W36 -","- Cu112 Na72 O1404 Si32 Te80 W288 -","8","0.5","","Chen, Wei-Chao; Wu, Si-Tong; Qin, Chao; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","An unprecedented {CuTe} core incorporated in a 36-tungsto-4-silicate polyoxometalate with visible light-driven catalytic hydrogen evolution activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16403","16407","10.1039/c8dt03658f","","","0.71073","MoKα","","0.0886","0.0555","","","0.133","0.1521","","","","","","0.999","","","","has coordinates","229636","2020-10-21","18:00:00",""
"7047693","11.9622","0.0003","10.2305","0.0002","14.0273","0.0003","90","","107.128","0.001","90","","1640.52","0.06","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Fe2(N3)2(Py2F2BTA)2(N3)2]","[Fe2(N3)2(Py2F2BTA)2(N3)2]","","- C24 H20 B2 F4 Fe2 N22 -","- C24 H20 B2 F4 Fe2 N22 -","- C48 H40 B4 F8 Fe4 N44 -","2","0.5","","Savard, Jamie M.; Brunet, Gabriel; Srinivasan, Anandi; Murugesu, Muralee; Brusso, Jaclyn L.","Ferromagnetically coupled dinuclear M<sup>II</sup> complexes based on a boratriazine ligand framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14875","14879","10.1039/c8dt03145b","","","0.71073","MoKα","","0.1217","0.0563","","","0.1185","0.1499","","","","","","1.005","","","","has coordinates","229480","2020-10-21","18:00:00",""
"7047694","11.8492","0.0016","10.2697","0.0014","13.9894","0.0019","90","","107.402","0.002","90","","1624.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co2(N3)2(Py2F2BTA)2(N3)2]","[Co2(N3)2(Py2F2BTA)2(N3)2]","","- C24 H20 B2 Co2 F4 N22 -","- C24 H20 B2 Co2 F4 N22 -","- C48 H40 B4 Co4 F8 N44 -","2","0.5","","Savard, Jamie M.; Brunet, Gabriel; Srinivasan, Anandi; Murugesu, Muralee; Brusso, Jaclyn L.","Ferromagnetically coupled dinuclear M<sup>II</sup> complexes based on a boratriazine ligand framework.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14875","14879","10.1039/c8dt03145b","","","0.71073","MoKα","","0.0896","0.0582","","","0.1342","0.1612","","","","","","1.057","","","","has coordinates","229480","2020-10-21","18:00:00",""
"7047695","10.4179","0.0003","10.4179","0.0003","14.7046","0.0005","90","","90","","90","","1595.93","0.08","293","","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C6 H14 Cl6 N2 Pb2 -","- C6 H12 Cl6 N2 Pb2 -","- C24 H48 Cl24 N8 Pb8 -","4","0.5","","Song, Jun-Ling; Chen, Wen-Jun; Chu, Kai-Bin; Zhou, Yu-Hua","A facile synthesis of two new IR optical perovskites based on 1,4-diazabicyclo[2,2,2]octane with a high laser damage threshold.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14497","14502","10.1039/c8dt03047b","","","0.71073","MoKα","","0.029","0.0268","","","0.0624","0.0636","","","","","","1.021","","","","has coordinates","229344","2020-10-21","18:00:00",""
"7047696","9.7459","0.0007","9.7459","0.0007","14.2773","0.0011","90","","90","","120","","1174.41","0.15","293","2","293","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C6 H15 Br6 N2 O0.5 Pb -","- C6 Br6 N2 O Pb -","- C12 Br12 N4 O2 Pb2 -","2","0.166667","","Song, Jun-Ling; Chen, Wen-Jun; Chu, Kai-Bin; Zhou, Yu-Hua","A facile synthesis of two new IR optical perovskites based on 1,4-diazabicyclo[2,2,2]octane with a high laser damage threshold.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14497","14502","10.1039/c8dt03047b","","","0.71073","MoKα","","0.074","0.0623","","","0.1345","0.1444","","","","","","1.139","","","","has coordinates","229344","2020-10-21","18:00:00",""
"7047697","8.4179","0.0003","9.1478","0.0004","16.4206","0.0005","84.686","0.003","84.283","0.003","71.497","0.003","1190.65","0.08","292.3","0.6","292.3","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N6 O14 Zn2 -","- C18 H16 N6 O14 Zn2 -","- C36 H32 N12 O28 Zn4 -","2","1","","Shi, Jingyu; Li, Jing; Zeng, Hongmei; Zou, Guohong; Zhang, Qinghua; Lin, Zhien","Water stable oxalate-based coordination polymers with in situ generated cyclic dipeptides showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15288","15292","10.1039/c8dt03659d","","x-ray","0.71073","MoKα","","0.0404","0.032","","","0.0801","0.0844","","","","","","1.12","","","","has coordinates","229445","2020-10-21","18:00:00",""
"7047698","9.78208","0.00016","11.574","0.00017","14.918","0.0002","90","","95.6582","0.0014","90","","1680.75","0.04","293","1","293","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Mn N6 O6 -","- C14 H14 Mn N6 O6 -","- C56 H56 Mn4 N24 O24 -","4","1","","Shi, Jingyu; Li, Jing; Zeng, Hongmei; Zou, Guohong; Zhang, Qinghua; Lin, Zhien","Water stable oxalate-based coordination polymers with in situ generated cyclic dipeptides showing high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15288","15292","10.1039/c8dt03659d","","x-ray","1.54184","CuKα","","0.0481","0.0456","","","0.1172","0.1211","","","","","","0.982","","","","has coordinates","229445","2020-10-21","18:00:00",""
"7047699","12.871","0.01","12.871","0.01","18.56","0.03","90","","90","","90","","3075","6","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 S4 Zn -","- Ga Na3 S4 Zn -","- Ga16 Na48 S64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0377","0.0264","","","0.0565","0.0612","","","","","","1.047","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047700","13.481","0.007","13.481","0.007","19.26","0.02","90","","90","","90","","3500","4","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 Se4 Zn -","- Ga Na3 Se4 Zn -","- Ga16 Na48 Se64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0568","0.0312","","","0.057","0.0641","","","","","","1.047","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047701","13.175","0.007","13.175","0.007","18.995","0.02","90","","90","","90","","3297","4","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In Na3 S4 Zn -","- In Na3 S4 Zn -","- In16 Na48 S64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0292","0.0247","","","0.0563","0.0592","","","","","","1.112","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047702","13.655","0.01","13.655","0.01","19.59","0.03","90","","90","","90","","3653","7","296","2","296","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- In Na3 Se4 Zn -","- In Na3 Se4 Zn -","- In16 Na48 Se64 Zn16 -","16","0.5","","Chen, Ruijiao; Wu, Xiaowen; Su, Zhi","Structural insights into T<sub>2</sub>-cluster-containing chalcogenides with vertex-, edge- and face-sharing connection modes of NaQ<sub>6</sub> ligands: Na<sub>3</sub>ZnM<sup>III</sup>Q<sub>4</sub> (M<sup>III</sup> = In, Ga; Q = S, Se).","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15538","15544","10.1039/c8dt03281e","","","0.71073","MoKα","","0.0469","0.0336","","","0.0756","0.0801","","","","","","1.097","","","","has coordinates","229433","2020-10-21","18:00:00",""
"7047703","12.262","0.0004","18.1554","0.0006","9.4626","0.0003","90","","90","","90","","2106.58","0.12","223","","223","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C34 H40 Cl2 Dy2 N4 O16 -","- C34 H40 Cl2 Dy2 N4 O16 -","- C68 H80 Cl4 Dy4 N8 O32 -","2","0.5","","Qin, Yaru; Jing, Yu; Ge, Yu; Liu, Wei; Li, Yahong; Zhang, Yi-Quan","Enhanced energy barriers triggered by magnetic anisotropy modulation via tuning the functional groups on the bridging ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15197","15205","10.1039/c8dt03506g","","","0.71073","MoKα","","0.0286","0.0213","","","0.0411","0.0427","","","","","","1.062","","","","has coordinates,has disorder","229475","2020-10-21","18:00:00",""
"7047704","16.996","0.002","13.699","0.002","15.727","0.002","90","","96.623","0.005","90","","3637.3","0.8","120","2","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Dy2 N4 O14 -","- C32 H34 Dy2 N4 O14 -","- C128 H136 Dy8 N16 O56 -","4","1","","Qin, Yaru; Jing, Yu; Ge, Yu; Liu, Wei; Li, Yahong; Zhang, Yi-Quan","Enhanced energy barriers triggered by magnetic anisotropy modulation via tuning the functional groups on the bridging ligands in Dy<sub>2</sub> single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15197","15205","10.1039/c8dt03506g","","","0.71073","MoKα","","0.0573","0.0437","","","0.0739","0.0786","","","","","","1.149","","","","has coordinates","229475","2020-10-21","18:00:00",""
"7047705","18.3179","0.0004","22.8489","0.0004","21.3193","0.0006","90","","114.712","0.003","90","","8105.9","0.4","130","0.1","130","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H68 Ag3 B2 F4 N3 O0 P6 -","- C72 H68 Ag3 B2 F4 N3 P6 -","- C288 H272 Ag12 B8 F16 N12 P24 -","4","1","","Ma, Howard Z.; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Canty, Allan J.; O'Hair, Richard A J","Synthesis, structure, and condensed-phase reactivity of [Ag<sub>3</sub>(μ<sub>3</sub>-H)(μ<sub>3</sub>-BH<sub>4</sub>)L<sup>Ph</sup><sub>3</sub>](BF<sub>4</sub>) (L<sup>Ph</sup> = bis(diphenylphosphino)amine) with CS<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14713","14725","10.1039/c8dt02437e","","x-ray","1.54184","CuKα","","0.0767","0.0538","","","0.1379","0.1549","","","","","","1.034","","","","has coordinates,has disorder","229347","2020-10-21","18:00:00",""
"7047706","8.176","0.002","8.598","0.002","9.537","0.003","71.597","0.007","70.183","0.007","72.123","0.007","583.3","0.3","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H26 Cl2 Cu F6 N4 O8 -","- C14 H26 Cl2 Cu F6 N4 O8 -","- C14 H26 Cl2 Cu F6 N4 O8 -","1","0.5","","Enriquez, José S; Yu, Meng; Bouley, Bailey S.; Xie, Da; Que, Emily L.","Copper(ii) complexes for cysteine detection using <sup>19</sup>F magnetic resonance.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15024","15030","10.1039/c8dt03780a","","","0.71073","MoKα","","0.0601","0.0533","","","0.1299","0.1339","","","","","","1.094","","","","has coordinates","229479","2020-10-21","18:00:00",""
"7047707","8.2343","0.001","8.8063","0.0012","20.987","0.003","90","","99.076","0.003","90","","1502.8","0.3","106","2","106","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 Cu F6 N4 O8 -","- C26 H34 Cl2 Cu F6 N4 O8 -","- C52 H68 Cl4 Cu2 F12 N8 O16 -","2","0.5","","Enriquez, José S; Yu, Meng; Bouley, Bailey S.; Xie, Da; Que, Emily L.","Copper(ii) complexes for cysteine detection using <sup>19</sup>F magnetic resonance.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15024","15030","10.1039/c8dt03780a","","","0.71073","MoKα","","0.0327","0.0273","","","0.0694","0.0718","","","","","","1.066","","","","has coordinates","229479","2020-10-21","18:00:00",""
"7047708","8.0393","0.0018","8.317","0.002","17.362","0.003","87.878","0.007","84.964","0.008","88.185","0.006","1155.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H29 Cl2 Cu F3 N4 O8 -","- C18 H29 Cl2 Cu F3 N4 O8 -","- C36 H58 Cl4 Cu2 F6 N8 O16 -","2","1","","Enriquez, José S; Yu, Meng; Bouley, Bailey S.; Xie, Da; Que, Emily L.","Copper(ii) complexes for cysteine detection using <sup>19</sup>F magnetic resonance.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15024","15030","10.1039/c8dt03780a","","","0.71073","MoKα","","0.0538","0.0352","","","0.0679","0.0728","","","","","","1.04","","","","has coordinates","229479","2020-10-21","18:00:00",""
"7047709","12.5612","0.0006","24.1634","0.001","16.9752","0.0009","90","","96.627","0.002","90","","5117.9","0.4","193","2","193","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 Cl2 Ge N2 O P2 Ru S -","- C54 H60 Cl2 Ge N2 O P2 Ru S -","- C216 H240 Cl8 Ge4 N8 O4 P8 Ru4 S4 -","4","1","","Lentz, Nicolas; Mallet-Ladeira, Sonia; Baceiredo, Antoine; Kato, Tsuyoshi; Madec, David","Germylene-sulfoxide as a potential hemilabile ligand: application in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15751","15756","10.1039/c8dt03669a","","x-ray","0.71073","MoKα","","0.0866","0.0446","","","0.0996","0.1195","","","","","","1.032","","","","has coordinates","229272","2020-10-21","18:00:00",""
"7047710","9.9512","0.0004","11.6654","0.0005","13.3526","0.0006","79.847","0.001","77.244","0.002","70.587","0.002","1416.88","0.11","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C50 H80 Ge2 N4 O8 S2 W -","- C50 H80 Ge2 N4 O8 S2 W -","- C50 H80 Ge2 N4 O8 S2 W -","1","0.5","","Lentz, Nicolas; Mallet-Ladeira, Sonia; Baceiredo, Antoine; Kato, Tsuyoshi; Madec, David","Germylene-sulfoxide as a potential hemilabile ligand: application in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15751","15756","10.1039/c8dt03669a","","x-ray","0.71073","MoKα","","0.0396","0.0301","","","0.0544","0.0576","","","","","","1.114","","","","has coordinates,has disorder","229272","2020-10-21","18:00:00",""
"7047711","9.9669","0.0005","11.7085","0.0008","13.3702","0.001","79.929","0.003","77.221","0.002","70.656","0.002","1426.94","0.16","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H80 Ge2 Mo N4 O8 S2 -","- C50 H80 Ge2 Mo N4 O8 S2 -","- C50 H80 Ge2 Mo N4 O8 S2 -","1","0.5","","Lentz, Nicolas; Mallet-Ladeira, Sonia; Baceiredo, Antoine; Kato, Tsuyoshi; Madec, David","Germylene-sulfoxide as a potential hemilabile ligand: application in coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15751","15756","10.1039/c8dt03669a","","","0.71073","MoKα","","0.0947","0.0658","","","0.0867","0.0939","","","","","","1.123","","","","has coordinates,has disorder","229272","2020-10-21","18:00:00",""
"7047713","14.8","0.01","6.623","0.005","10.02","0.01","90","","90","","90","","982.2","1.4","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H20 Cu N2 O4 S4 -","- C14 H20 Cu N2 O4 S4 -","- C28 H40 Cu2 N4 O8 S8 -","2","0.5","","Brustolin, L.; Nardon, C.; Pettenuzzo, N.; Zuin Fantoni, N.; Quarta, S.; Chiara, F.; Gambalunga, A.; Trevisan, A.; Marchiò, L; Pontisso, P.; Fregona, D.","Synthesis, chemical characterization and cancer cell growth-inhibitory activities of Cu(ii) and Ru(iii) aliphatic and aromatic dithiocarbamato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15477","15486","10.1039/c8dt02965b","","","0.71073","MoKα","","0.057","0.0367","","","0.0771","0.0847","","","","","","1.008","","","","has coordinates","229436","2020-10-21","18:00:00",""
"7047714","27.5162","0.0019","6.7012","0.0005","17.479","0.0013","90","","119.506","0.003","90","","2805","0.4","250","","250","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C20 H32 Cu N2 O4 S4 -","- C20 H32 Cu N2 O4 S4 -","- C80 H128 Cu4 N8 O16 S16 -","4","1","","Brustolin, L.; Nardon, C.; Pettenuzzo, N.; Zuin Fantoni, N.; Quarta, S.; Chiara, F.; Gambalunga, A.; Trevisan, A.; Marchiò, L; Pontisso, P.; Fregona, D.","Synthesis, chemical characterization and cancer cell growth-inhibitory activities of Cu(ii) and Ru(iii) aliphatic and aromatic dithiocarbamato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15477","15486","10.1039/c8dt02965b","","","0.71073","MoKα","","0.0423","0.0352","","","0.0952","0.0995","","","","","","1.068","","","","has coordinates","229436","2020-10-21","18:00:00",""
"7047715","9.554","0.003","12.015","0.004","15.069","0.005","90.875","0.006","92.171","0.006","104.872","0.006","1670.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H60 Al2 Mg O5 -","- C26 H60 Al2 Mg O5 -","- C52 H120 Al4 Mg2 O10 -","2","1","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.1286","0.0859","","","0.1946","0.2143","","","","","","1.064","","","","has coordinates,has disorder","229476","2020-10-21","18:00:00",""
"7047716","17.888","0.0004","8.64","0.0002","14.9623","0.0003","90","","90","","90","","2312.46","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H40 Al2 Mg O4 -","- C14 H40 Al2 Mg O4 -","- C56 H160 Al8 Mg4 O16 -","4","1","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.0253","0.0243","","","0.0645","0.0651","","","","","","1.065","","","","has coordinates,has disorder","229476","2020-10-21","18:00:00",""
"7047717","9.746","0.005","15.225","0.008","15.88","0.009","90","","90","","90","","2356","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Al Mg O2 -","- C21 H41 Al Mg O2 -","- C84 H164 Al4 Mg4 O8 -","4","1","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.0331","0.0313","","","0.0837","0.0854","","","","","","1.075","","","","has coordinates","229476","2020-10-21","18:00:00",""
"7047718","10.4747","0.0007","14.0615","0.0009","15.7685","0.001","90","","95.423","0.004","90","","2312.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H84 Al4 Mg2 O4 -","- C30 H84 Al4 Mg2 O4 -","- C60 H168 Al8 Mg4 O8 -","2","0.5","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","","","0.0742","0.0449","","","0.1027","0.1173","","","","","","1.027","","","","has coordinates","229476","2020-10-21","18:00:00",""
"7047719","22.886","0.003","12.4234","0.0017","18.993","0.003","90","","91.203","0.005","90","","5398.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H50 Al2 Mg O3 -","- C18 H50 Al2 Mg O3 -","- C144 H400 Al16 Mg8 O24 -","8","2","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.089","0.0649","","","0.1533","0.1693","","","","","","1.053","","","","has coordinates,has disorder","229476","2020-10-21","18:00:00",""
"7047720","11.8748","0.0009","12.7887","0.001","11.2417","0.0007","90","","117.102","0.002","90","","1519.75","0.19","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LClHAlMe2 (4)","","- C15 H15 Al Cl N S -","- C15 H15 Al Cl N S -","- C60 H60 Al4 Cl4 N4 S4 -","4","1","","Huang, Ting-Wei; Su, Rou-Rong; Lin, Yi-Chen; Lai, Hsin-Yu; Yang, Chien-Yi; Senadi, Gopal Chandru; Lai, Yi-Chun; Chiang, Michael Y.; Chen, Hsuan-Ying","Improvement in aluminum complexes bearing a Schiff base in ring-opening polymerization of ε-caprolactone: the synergy of the N,S-Schiff base in a five-membered ring aluminum system.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15565","15573","10.1039/c8dt03285h","","","0.71073","MoKα","","0.0429","0.0324","","","0.0753","0.0816","","","","","","1.038","","","","has coordinates","229444","2020-10-21","18:00:00",""
"7047721","6.2318","0.0004","34.13","0.003","6.9115","0.0004","90","","95.703","0.007","90","","1462.74","0.18","173","1","173","1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","cobalt(II) benzoate trihydrate","","- C14 H16 Co O7 -","- C14 H16 Co O7 -","- C56 H64 Co4 O28 -","4","0.5","","Vráblová, Anna; Černák, Juraj; Rajnák, Cyril; Dlháň, Ľubor; Tomás, Milagros; Falvello, Larry R.; Boča, Roman","Exceptionally slow magnetic relaxation in cobalt(ii) benzoate trihydrate.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15523","15529","10.1039/c8dt03610a","","x-ray","0.71073","MoKα","","0.0558","0.0426","","","0.0976","0.1056","","","","","","1.044","","","","has coordinates","229438","2020-10-21","18:00:00",""
"7047722","15.1363","0.0002","15.7836","0.0002","14.456","0.0002","90","","90","","90","","3453.62","0.08","150","","150","","","","","","","","Research School of Chemistry","7","P n m a","-P 2ac 2n","62","","","","- C30 H49 B N6 O2 Sn W -","- C30 H49 B N6 O2 Sn W -","- C120 H196 B4 N24 O8 Sn4 W4 -","4","0.5","","Reinholdt, Anders; Bendix, Jesper; Hill, Anthony F.; Manzano, Richard A.","Confluence of disparate carbido chemistries: [WRuAu<sub>2</sub>(μ-C)<sub>2</sub>Cl<sub>2</sub>(CO)<sub>2</sub>(PCy<sub>3</sub>)<sub>2</sub>(Tp*)].","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14893","14896","10.1039/c8dt03851a","","","1.54184","CuKα","","0.0697","0.0666","","0.1517","0.1488","0.1517","","","","","","0.9264","","","","has coordinates","229485","2020-10-21","18:00:00",""
"7047723","13.8516","0.0003","14.6061","0.0003","17.1538","0.0004","73.1381","0.0017","81.6834","0.0017","65.5781","0.0018","3022.92","0.12","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C55 H88 Au2 B Cl3 N6 O2 P2 Ru W -","- C55 H88 Au2 B Cl3 N6 O2 P2 Ru W -","- C110 H176 Au4 B2 Cl6 N12 O4 P4 Ru2 W2 -","2","1","","Reinholdt, Anders; Bendix, Jesper; Hill, Anthony F.; Manzano, Richard A.","Confluence of disparate carbido chemistries: [WRuAu<sub>2</sub>(μ-C)<sub>2</sub>Cl<sub>2</sub>(CO)<sub>2</sub>(PCy<sub>3</sub>)<sub>2</sub>(Tp*)].","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14893","14896","10.1039/c8dt03851a","","x-ray","0.71073","MoKα","","0.0401","0.0319","","","0.0698","0.0734","","","","","","1.116","","","","has coordinates,has disorder","229485","2020-10-21","18:00:00",""
"7047724","9.7052","0.0006","18.0704","0.0011","14.1301","0.001","90","","107.853","0.0015","90","","2358.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 N3 Ni O2 -","- C27 H29 N3 Ni O2 -","- C108 H116 N12 Ni4 O8 -","4","1","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0638","0.0436","","","0.1194","0.1353","","","","","","1.025","","","","has coordinates","229446","2020-10-21","18:00:00",""
"7047725","9.3643","0.0008","9.978","0.0008","14.3688","0.0012","101.276","0.007","95.203","0.007","99.728","0.007","1287.05","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N3 Ni O2 -","- C28 H33 N3 Ni O2 -","- C56 H66 N6 Ni2 O4 -","2","1","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0671","0.047","","","0.1246","0.1377","","","","","","1.028","","","","has coordinates","229446","2020-10-21","18:00:00",""
"7047726","15.866","0.0008","14.5267","0.0007","22.0264","0.0011","90","","90","","90","","5076.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H33 Cu N3 O2 -","- C28 H33 Cu N3 O2 -","- C224 H264 Cu8 N24 O16 -","8","1","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0835","0.047","","","0.1103","0.1261","","","","","","1.013","","","","has coordinates,has disorder","229446","2020-10-21","18:00:00",""
"7047727","11.5267","0.0008","16.6156","0.001","13.6845","0.0009","90","","104.524","0.007","90","","2537.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 Ni O2 -","- C28 H33 N3 Ni O2 -","- C112 H132 N12 Ni4 O8 -","4","1","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0439","0.0335","","","0.0862","0.0923","","","","","","1.087","","","","has coordinates","229446","2020-10-21","18:00:00",""
"7047728","24.983","0.003","6.9452","0.0007","16.3797","0.0017","90","","90","","90","","2842.1","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C29 H33 Cu N4 O -","- C29 H33 Cu N4 O -","- C116 H132 Cu4 N16 O4 -","4","0.5","","Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen","Redox active ligand and metal cooperation for C(sp<sup>2</sup>)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15293","15297","10.1039/c8dt03477j","","","0.71073","MoKα","","0.0812","0.0561","","","0.1476","0.1637","","","","","","1.043","","","","has coordinates","229446","2020-10-21","18:00:00",""
"7047730","12.2217","0.0005","12.2217","0.0005","10.6077","0.0007","90","","90","","120","","1372.19","0.12","298","2","298","2","","","","","","","","6","P 32","P 32","145","","","","- C17 H24 Cl Ge N O -","- C17 H24 Cl Ge N O -","- C51 H72 Cl3 Ge3 N3 O3 -","3","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0687","0.0497","","","0.1088","0.1235","","","","","","1.004","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7047731","17.1906","0.0013","11.1401","0.0007","24.7705","0.0017","90","","107.867","0.008","90","","4514.9","0.6","150","","150","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C33 H57 Cl2 Ge Ir N2 O Si2 -","- C33 H57 Cl2 Ge Ir N2 O Si2 -","- C132 H228 Cl8 Ge4 Ir4 N8 O4 Si8 -","4","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0935","0.0759","","","0.2126","0.233","","","","","","1.027","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7047732","43.1777","0.0013","31.7106","0.0009","12.5293","0.0003","90","","90","","90","","17155","0.8","247","40","247","40","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C33 H58 Cl2 Ge N2 O Rh Si2 -","- C33 H58 Cl2 Ge N2 O Rh Si2 -","- C528 H928 Cl32 Ge16 N32 O16 Rh16 Si32 -","16","1","","Bakthavachalam, K.; Dutta, Sayan; C, Arivazhagan; Raghavendra, Beesam; Haridas, Anagha; Sen, Sakya S.; Koley, Debasis; Ghosh, Sundargopal","Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15835","15844","10.1039/c8dt03166e","","","0.71073","MoKα","","0.0423","0.0357","","","0.0962","0.1011","","","","","","1.072","","","","has coordinates","229269","2020-10-21","18:00:00",""
"7047733","11.8865","0.0009","16.409","0.0008","6.0486","0.0004","90","","96.452","0.006","90","","1172.28","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Co N7 -","- C10 H9 Co N7 -","- C40 H36 Co4 N28 -","4","1","","Rajnák, Cyril; Dlháň, Ľubor; Moncol, Ján; Titiš, Ján; Boča, Roman","Slow magnetic relaxation in a μ<sub>1,1'</sub>-azido cobalt(ii) methylquinoline chain complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15745","15750","10.1039/c8dt03351j","","","1.54186","CuKα","","0.1017","0.077","","","0.1887","0.2007","","","","","","0.95","","","","has coordinates,has disorder","229277","2020-10-21","18:00:00",""
"7047734","5.257","0.002","12.404","0.005","7.098","0.003","90","","102.765","0.009","90","","451.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Lead Iron Phosphate Fluoride","","- F2 Fe O4 P Pb -","- F2 Fe O4 P Pb -","- F8 Fe4 O16 P4 Pb4 -","4","1","","Lu, Hongcheng; Kageyama, Hiroshi","PbFePO<sub>4</sub>F<sub>2</sub> with a 1/6th bond depleted triangular lattice.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15303","15306","10.1039/c8dt03802c","","x-ray","0.71073","MoKα","","0.0394","0.0367","","","0.0679","0.0696","","","","","","1.01","","","","has coordinates","229443","2020-10-21","18:00:00",""
"7047735","6.7776","0.0002","6.7893","0.0002","8.8775","0.0003","86.438","0.002","84.513","0.003","65.677","0.003","370.42","0.02","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C8 H16 Cl2 Mn N2 O2 S2 -","- C8 H16 Cl2 Mn N2 O2 S2 -","- C8 H16 Cl2 Mn N2 O2 S2 -","1","0.5","","Xia, Bin; Zhou, Yu; Wang, Qing-Lun; Xu, Xiu-Fang; Tong, Yu-Zhang; Bu, Xian-He; Li, Jian-Rong","Photoinduced electron transfer and remarkable enhancement of magnetic susceptibility in bridging pyrazine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15888","15896","10.1039/c8dt03422b","","","1.54184","CuKα","","0.0228","0.0228","","","0.0602","0.0602","","","","","","1.078","","","","has coordinates","229275","2020-10-21","18:00:00",""
"7047736","6.7931","0.0002","6.8204","0.0002","8.7665","0.0003","87.754","0.003","85.399","0.003","63.63","0.003","362.73","0.02","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C8 H16 Cl2 Fe N2 O2 S2 -","- C8 H16 Cl2 Fe N2 O2 S2 -","- C8 H16 Cl2 Fe N2 O2 S2 -","1","0.5","","Xia, Bin; Zhou, Yu; Wang, Qing-Lun; Xu, Xiu-Fang; Tong, Yu-Zhang; Bu, Xian-He; Li, Jian-Rong","Photoinduced electron transfer and remarkable enhancement of magnetic susceptibility in bridging pyrazine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15888","15896","10.1039/c8dt03422b","","","1.54184","CuKα","","0.0262","0.0262","","","0.0725","0.0725","","","","","","1.062","","","","has coordinates","229275","2020-10-21","18:00:00",""
"7047737","6.771","0.003","6.81","0.004","8.783","0.006","87.82","0.04","85.27","0.04","63.03","0.02","359.7","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H16 Cl2 Co N2 O2 S2 -","- C8 H16 Cl2 Co N2 O2 S2 -","- C8 H16 Cl2 Co N2 O2 S2 -","1","0.5","","Xia, Bin; Zhou, Yu; Wang, Qing-Lun; Xu, Xiu-Fang; Tong, Yu-Zhang; Bu, Xian-He; Li, Jian-Rong","Photoinduced electron transfer and remarkable enhancement of magnetic susceptibility in bridging pyrazine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15888","15896","10.1039/c8dt03422b","","","0.71073","MoKα","","0.0734","0.0688","","","0.1743","0.1769","","","","","","1.217","","","","has coordinates","229275","2020-10-21","18:00:00",""
"7047738","26.34708","0.00015","26.34708","0.00015","26.34708","0.00015","90","","90","","90","","18289.3","0.18","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H100 Co20 N78 O42 S26 -","- C67 H96.9954 Co20 N78 O41.9916 S26.0004 -","- C268 H387.982 Co80 N312 O167.966 S104.002 -","4","0.166667","","Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu","Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15141","15147","10.1039/c8dt03444c","","","0.71073","MoKα","","0.089","0.0607","","","0.1563","0.207","","","","","","1.091","","","","has coordinates,has disorder","229484","2020-10-21","18:00:00",""
"7047739","26.0903","0.0001","26.0903","0.0001","26.0903","0.0001","90","","90","","90","","17759.8","0.12","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C67 H100 N78 Ni20 O42 S26 -","- C48 H48 N72 Ni20 O31.9992 S25.9998 -","- C192 H192 N288 Ni80 O127.997 S103.999 -","4","0.166667","","Wang, Hui; Xu, Xiaoling; Jiang, Yimin; Yao, Pengfei; Li, Bo; Zou, Huahong; Zhou, Jinglin; Chen, Zilu","Synthesis, structure and magnetic properties of two mixed-valence icosanuclear nanocages.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15141","15147","10.1039/c8dt03444c","","","0.71073","MoKα","","0.0663","0.0491","","","0.1215","0.1516","","","","","","1.07","","","","has coordinates","229484","2020-10-21","18:00:00",""
"7047740","19.6096","0.0011","17.4627","0.001","23.4976","0.0013","90","","90","","90","","8046.4","0.8","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H43 Cl F6 Ir O P3 -","- C41 H43 Cl F6 Ir O P3 -","- C328 H344 Cl8 F48 Ir8 O8 P24 -","8","1","","Li, JuanJuan; Tian, Zhenzhen; Xu, Zhishan; Zhang, Shumiao; Feng, Yaqian; Zhang, Lingdong; Liu, Zhe","Highly potent half-sandwich iridium and ruthenium complexes as lysosome-targeted imaging and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15772","15782","10.1039/c8dt02963f","","","0.71073","MoKα","","0.061","0.048","","","0.11","0.115","","","","","","1.141","","","","has coordinates","229274","2020-10-21","18:00:00",""
"7047741","16.0389","0.0009","15.8195","0.0009","19.3415","0.0011","90","","106.839","0.001","90","","4697","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cl F6 Ir P3 -","- C55 H47 Cl F6 Ir P3 -","- C220 H188 Cl4 F24 Ir4 P12 -","4","1","","Li, JuanJuan; Tian, Zhenzhen; Xu, Zhishan; Zhang, Shumiao; Feng, Yaqian; Zhang, Lingdong; Liu, Zhe","Highly potent half-sandwich iridium and ruthenium complexes as lysosome-targeted imaging and anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15772","15782","10.1039/c8dt02963f","","","0.71073","MoKα","","0.0335","0.0254","","","0.0611","0.0645","","","","","","1.037","","","","has coordinates","229274","2020-10-21","18:00:00",""
"7047742","13.5827","0.0009","10.683","0.0007","20.4334","0.0013","90","","96.186","0.003","90","","2947.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Ir O P2 -","- C13 H19 Ir O P2 -","- C104 H152 Ir8 O8 P16 -","8","2","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","x-ray","0.71073","MoKα","","0.0547","0.0485","","","0.1225","0.1281","","","","","","1.096","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047743","22.1041","0.001","9.3471","0.0005","18.9388","0.0009","90","","109.749","0.002","90","","3682.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Ir P3 -","- C15 H30 Ir P3 -","- C120 H240 Ir8 P24 -","8","2","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","x-ray","0.71073","MoKα","","0.0254","0.0194","","","0.0434","0.0458","","","","","","1.008","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047744","10.0756","0.0012","12.0992","0.0017","25.28","0.004","90","","90","","90","","3081.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H21 Ir O P2 -","- C13 H21 Ir O P2 -","- C104 H168 Ir8 O8 P16 -","8","1","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","x-ray","0.71073","MoKα","","0.0727","0.0329","","","0.0571","0.0721","","","","","","1.077","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047745","12.3793","0.0006","14.3928","0.0008","32.473","0.002","90","","91.108","0.004","90","","5784.7","0.6","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C27.5 H51 Ir O P2 -","- C27.5 H51 Ir O P2 -","- C220 H408 Ir8 O8 P16 -","8","1","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","","0.71073","MoKα","","0.0365","0.0217","","","0.0376","0.042","","","","","","1.046","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047746","11.2062","0.0007","14.0106","0.0008","28.6995","0.0018","90","","98.215","0.003","90","","4459.7","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Ir2 O2 P4 -","- C42 H70 Ir2 O2 P4 -","- C168 H280 Ir8 O8 P16 -","4","1","","Lekich, Travis T.; Gary, J. Brannon; Bellows, Sarina M.; Cundari, Thomas R.; Guard, Louise M.; Heinekey, D. Michael","H<sub>2</sub> addition to (<sup>Me4</sup>PCP)Ir(CO): studies of the isomerization mechanism.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16119","16125","10.1039/c8dt02861c","","","0.71073","MoKα","","0.0482","0.0342","","","0.0719","0.0751","","","","","","0.98","","","","has coordinates","229959","2020-10-21","18:00:00",""
"7047747","14.249","0.004","12.49","0.004","15.997","0.004","90","","109.471","0.008","90","","2684.2","1.3","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Eu N2 O9 S2 -","- C28 H21 Eu N2 O9 S2 -","- C112 H84 Eu4 N8 O36 S8 -","4","1","","Yang, Chun; Zheng, Jie-Yu; Cai, Wen-Jing; Guo, Fu-Sheng; Wang, Yao-Yu","Two isostructural Ln-MOFs showing luminescent sensing (Eu) and slow magnetic relaxation (Dy) properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15656","15660","10.1039/c8dt03458c","","","0.71073","MoKα","","0.0255","0.0215","","","0.0508","0.053","","","","","","1.059","","","","has coordinates","229278","2020-10-21","18:00:00",""
"7047748","14.1939","0.0016","12.4831","0.0014","15.9204","0.0018","90","","109.934","0.002","90","","2651.8","0.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 Dy N2 O9 S2 -","- C28 H21 Dy N2 O9 S2 -","- C112 H84 Dy4 N8 O36 S8 -","4","1","","Yang, Chun; Zheng, Jie-Yu; Cai, Wen-Jing; Guo, Fu-Sheng; Wang, Yao-Yu","Two isostructural Ln-MOFs showing luminescent sensing (Eu) and slow magnetic relaxation (Dy) properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15656","15660","10.1039/c8dt03458c","","","0.71073","MoKα","","0.0524","0.0368","","","0.1065","0.1421","","","","","","1.057","","","","has coordinates","229278","2020-10-21","18:00:00",""
"7047749","17.2258","0.0006","19.4733","0.0008","25.423","0.001","90","","90","","90","","8528","0.6","298","2","298.15","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C46 H46 F6 Ir N6 P -","- C46 H46 F6 Ir N6 P -","- C368 H368 F48 Ir8 N48 P8 -","8","0.5","","Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta","Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15873","15881","10.1039/c8dt02461h","","","0.71073","MoKα","","0.0689","0.0367","","","0.0767","0.0934","","","","","","1.07","","","","has coordinates,has disorder","229287","2020-10-21","18:00:00",""
"7047750","17.724","0.002","23.066","0.002","15.945","0.003","90","","113.863","0.003","90","","5961.4","1.4","150","","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H70 F6 Ir N6 P -","- C58 H70 F6 Ir N6 P -","- C232 H280 F24 Ir4 N24 P4 -","4","0.5","","Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta","Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15873","15881","10.1039/c8dt02461h","","","0.71073","MoKα","","0.0505","0.0463","","","0.1433","0.148","","","","","","1.161","","","","has coordinates","229287","2020-10-21","18:00:00",""
"7047751","15.2226","0.001","21.0932","0.0014","18.1419","0.0011","90","","104.978","0.002","90","","5627.3","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 F6 Ir N6 O P S -","- C60 H72 F6 Ir N6 O P S -","- C240 H288 F24 Ir4 N24 O4 P4 S4 -","4","1","","Laha, Paltan; De, Umasankar; Chandra, Falguni; Dehury, Niranjan; Khullar, Sadhika; Kim, Hyung Sik; Patra, Srikanta","Alkyl chain-modified cyclometalated iridium complexes as tunable anticancer and imaging agents.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15873","15881","10.1039/c8dt02461h","","","0.71073","MoKα","","0.0494","0.0408","","","0.106","0.1144","","","","","","1.053","","","","has coordinates","229287","2020-10-21","18:00:00",""
"7047752","8.1284","0.0004","15.5849","0.0009","21.5096","0.0012","90.483","0.004","92.381","0.003","90.819","0.003","2722.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26.25 H23.5 Cl0.5 O6 Rh S2 Ti -","- C26.25 H23.5 Cl0.5 O6 Rh S2 Ti -","- C105 H94 Cl2 O24 Rh4 S8 Ti4 -","4","2","","Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel","Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15391","15398","10.1039/c8dt02641f","","","0.71073","MoKα","","0.0903","0.0649","","","0.1399","0.1503","","","","","","1.13","","","","has coordinates,has disorder","229448","2020-10-21","18:00:00",""
"7047753","22.77","0.02","21.68","0.02","14.279","0.016","90","","90","","90","","7049","12","180","2","180","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C64 H80 Li2 O13 S4 Ti2 -","- C64 H80 Li2 O13 S4 Ti2 -","- C256 H320 Li8 O52 S16 Ti8 -","4","0.5","","Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel","Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15391","15398","10.1039/c8dt02641f","","","0.71073","MoKα","","0.2977","0.0819","","","0.1987","0.2436","","","","","","0.669","","","","has coordinates,has disorder","229448","2020-10-21","18:00:00",""
"7047754","12.711","0.004","13.703","0.004","16.828","0.005","70.501","0.005","87.218","0.005","67.906","0.006","2550.1","1.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H52 Cl4 O6 P Rh S2 Ti -","- C49 H52 Cl4 O6 P Rh S2 Ti -","- C98 H104 Cl8 O12 P2 Rh2 S4 Ti2 -","2","1","","Fandos, Rosa; Bruña, Sonia; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Terreros, Pilar; Cuadrado, Isabel","Titanium thiosalicylate complexes: functional metalloligands for the construction of redox-active heterometallic architectures.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15391","15398","10.1039/c8dt02641f","","","0.71073","MoKα","","0.1763","0.0862","","","0.1903","0.2492","","","","","","0.937","","","","has coordinates","229448","2020-10-21","18:00:00",""
"7047755","11.5895","0.0014","18.322","0.002","14.4238","0.0018","90","","104.335","0.007","90","","2967.4","0.6","90","2","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H41 N9 O0.5 -","- C29.5 H41 N9 O0.5 -","- C118 H164 N36 O2 -","4","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.71073","MoKα","","0.0903","0.0551","","","0.135","0.155","","","","","","1.04","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047756","11.2711","0.0009","15.7793","0.0012","19.454","0.0016","108.834","0.002","104.839","0.002","97.646","0.002","3076.2","0.4","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","Yb(CzTiPr)[N(SiMe3)2]","(1,8-Bis(2?-H-tetrazo-5?-yl)-3,6-di-tert-butylcarbazolyl)bis((bis(trimethylsilyl)amido ytterbium(III)","","- C54 H88 N11 Si4 Yb -","- C54 H88 N11 Si4 Yb -","- C108 H176 N22 Si8 Yb2 -","2","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.7749","","","0.0314","0.0271","","","0.065","0.067","","","","","","0.981","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047757","36.2178","0.0014","16.741","0.0007","31.6549","0.0012","90","","102.274","0.0013","90","","18754.3","1.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C90.09 H114.96 N27 Y -","- C88.6669 H113.334 N27 Y -","- C709.335 H906.669 N216 Y8 -","8","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.71073","MoKα","","0.0635","0.0453","","","0.1189","0.1294","","","","","","1.044","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047758","13.0237","0.0013","15.8464","0.0015","18.8408","0.0019","82.905","0.003","88.389","0.003","87.902","0.003","3854.9","0.7","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C75.31 H99.64 N18 O Si Yb -","- C59 H80 N18 O Si Yb -","- C118 H160 N36 O2 Si2 Yb2 -","2","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.7749","synchrotron","","0.0781","0.0558","","","0.1263","0.1417","","","","","","1.055","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047759","16.49","0.0019","19.382","0.002","21.328","0.002","73.382","0.003","72.642","0.003","89.771","0.003","6209.7","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","[Sm(CzTiPr)2]2(mu-OH)2","Sm(κ3-CzTiPr)(κ3-μ-CzTiPr)(μ-OH)2Sm(κ3-CzTiPr)(κ2-CzTiPr)","","- C115.5 H148 N36 O2 Sm2 -","- C115.5 H148 N36 O2 Sm2 -","- C231 H296 N72 O4 Sm4 -","2","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","1.0332","synchrotron","","0.1436","0.0932","","","0.2425","0.2805","","","","","","1.032","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047760","13.0938","0.0007","15.8303","0.0008","18.8202","0.0009","82.643","0.003","88.231","0.003","88.254","0.003","3865.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C76.5 H101 Er N18 O Si -","- C76.5 H101 Er N18 O Si -","- C153 H202 Er2 N36 O2 Si2 -","2","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.71073","MoKα","","0.0597","0.0445","","","0.0984","0.1063","","","","","","1.076","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047761","11.1978","0.0005","15.7727","0.0008","19.3549","0.0009","108.997","0.002","104.761","0.002","97.811","0.002","3034.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Er(CzTiPr)[N(SiMe3)2]2","(1,8-Bis(2?-H-tetrazo-5?-yl)-3,6-di-tert-butylcarbazolyl)bis((bis(trimethylsilyl)amido erbium(III)","","- C54 H88 Er N11 Si4 -","- C54 H88 Er N11 Si4 -","- C108 H176 Er2 N22 Si8 -","2","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.71073","MoKα","","0.0736","0.0435","","","0.0759","0.0846","","","","","","1.015","","","","has coordinates","229440","2020-10-21","18:00:00",""
"7047762","40.053","0.007","18.203","0.003","28.621","0.005","90","","128.185","0.004","90","","16402","5","120","2","119.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ce(CzTiPr)2[N(SiMe3)2]","Bis(1,8-Bis(2?-H-tetrazo-5?-yl)-3,6-di-tert-butylcarbazolyl)(bis(trimethylsilyl)amido) cerium(III)","","- C79.5 H110 Ce N19 Si2 -","- C79.5 H110 Ce N19 Si2 -","- C636 H880 Ce8 N152 Si16 -","8","1","","Gajecki, Leah; Berg, David J.; Hoenisch, Josh; Oliver, Allen G.","Variable coordination of carbazolyl-bis(tetrazole) ligands in lanthanide chemistry.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15487","15496","10.1039/c8dt02757a","","","0.71073","MoKα","","0.0541","0.0406","","","0.0937","0.1013","","","","","","1.082","","","","has coordinates,has disorder","229440","2020-10-21","18:00:00",""
"7047763","19.481","0.004","9.5492","0.0019","21.762","0.004","90","","106.72","0.03","90","","3877.2","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H50 Be6 Cl6 O16 -","- C24 H48 Be6 Cl4 O16 -","- C96 H192 Be24 Cl16 O64 -","4","0.5","","Buchner, Magnus R.; Müller, Matthias; Dankert, Fabian; Reuter, Kirsten; von Hänisch, Carsten","The coordination behaviour and reactivity of partially silicon based crown ethers towards beryllium chloride.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16393","16397","10.1039/c8dt03963a","","","0.71073","MoKα","","0.0636","0.0525","","","0.1403","0.1482","","","","","","1.069","","","","has coordinates","229635","2020-10-21","18:00:00",""
"7047764","9.8872","0.0005","12.0013","0.0006","12.2122","0.0006","108.235","0.002","103.883","0.002","106.623","0.002","1229.35","0.11","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Be6 Cl4 O14 -","- C48 H52 Be6 Cl4 O14 -","- C48 H52 Be6 Cl4 O14 -","1","0.5","","Buchner, Magnus R.; Müller, Matthias; Dankert, Fabian; Reuter, Kirsten; von Hänisch, Carsten","The coordination behaviour and reactivity of partially silicon based crown ethers towards beryllium chloride.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16393","16397","10.1039/c8dt03963a","","","0.71073","MoKα","","0.0486","0.0402","","","0.0959","0.1004","","","","","","1.046","","","","has coordinates","229635","2020-10-21","18:00:00",""
"7047765","14.36351","0.00009","14.36351","0.00009","15.72381","0.00012","90","","90","","120","","2809.37","0.03","123.1","0.3","123.1","0.3","","","","","","","","8","P -3","-P 3","147","","","","- C88.98 H26.96 Al2 Cl5.96 Cu2 F92 N7 O6 -","- C88.9802 H26.9604 Al2 Cl5.9604 Cu2 F92 N7 O6 -","- C88.9802 H26.9604 Al2 Cl5.9604 Cu2 F92 N7 O6 -","1","0.166667","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.0313","0.0293","","","0.0721","0.0732","","","","","","1.049","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047766","11.2007","0.0003","18.7374","0.0004","21.9873","0.0006","111.28","0.002","95.785","0.002","96.565","0.002","4220.9","0.2","123","1","123","1","","","","","","","","9","P -1","-P 1","2","","","","- C66 H24 Al Cl4 Cu F46 Mo4 O11 P4 -","- C64 H20 Al Cu F46 Mo4 O11 P4 -","- C128 H40 Al2 Cu2 F92 Mo8 O22 P8 -","2","1","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","0.71073","MoKα","","0.077","0.0479","","","0.0994","0.1126","","","","","","0.959","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047767","10.612","0.0001","17.1552","0.0002","23.73","0.0003","90","","90","","90","","4320.07","0.08","122.95","0.18","122.95","0.18","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 Al Cu F36 N5 O4 -","- C26 H15 Al Cu F36 N5 O4 -","- C104 H60 Al4 Cu4 F144 N20 O16 -","4","1","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.0334","0.0311","","","0.079","0.081","","","","","","1.046","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047768","28.2675","0.0002","18.7719","0.0001","25.8322","0.0002","90","","100.462","0.001","90","","13479.6","0.16","122.9","0.2","122.9","0.2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C109 H34 Al2 Cl2 Cu2 F92 Mo4 N4 O14 P4 -","- C109 H34 Al2 Cl2 Cu2 F92 Mo4 N4 O14 P4 -","- C436 H136 Al8 Cl8 Cu8 F368 Mo16 N16 O56 P16 -","4","0.5","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.037","0.0364","","","0.0968","0.0974","","","","","","1.031","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047769","10.9037","0.0003","27.5664","0.0006","17.8993","0.0003","90","","98.166","0.002","90","","5325.5","0.2","123","","123","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 Al Cl2 Cu F36 Fe N2 O4 P5 -","- C31 H23 Al Cl2 Cu F36 Fe N2 O4 P5 -","- C124 H92 Al4 Cl8 Cu4 F144 Fe4 N8 O16 P20 -","4","1","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","0.71073","MoKα","","0.0523","0.0398","","","0.0934","0.1006","","","","","","1.024","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047770","11.46563","0.00004","19.19874","0.00006","30.69781","0.00011","90","","92.1269","0.0003","90","","6752.72","0.04","123.1","0.2","123.1","0.2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C51 H23 Al Cl2 Cu F46 Fe N2 O3 P5 -","- C50 H21 Al Cu F46 Fe N2 O3 P5 -","- C200 H84 Al4 Cu4 F184 Fe4 N8 O12 P20 -","4","1","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0671","0.0674","","","","","","1.035","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047772","12.116","0.002","14.374","0.003","21.414","0.004","108.55","0.03","91.9","0.03","99.07","0.03","3477.6","1.4","200","","200","","","","","","","","","8","P -1","-P 1","2","(2, 3-DAP)-tri-manganese-18-tungstoantimonate","","","- C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19 -","- C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19 -","- C48 H67.2 K4 Mn3 N16 O80.1 Sb2 W19 -","1","0.5","","Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette","Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15651","15655","10.1039/c8dt02787k","","x-ray","0.71073","MoKα","","0.1026","0.0553","","","0.1289","0.1451","","","","","","1.017","","","","has coordinates,has disorder","229268","2020-10-21","18:00:00",""
"7047773","12.6796","0.0007","14.1057","0.0007","20.5025","0.0011","92.665","0.003","93.3","0.003","115.147","0.003","3303.7","0.3","200","","200","","","","","","","","","8","P -1","-P 1","2","(2, 3-DAP)-di-zinc-18-tungstoantimonate","","","- C48 H53 N16 Na5 O83 Sb2 W19.89 Zn2.11 -","- C48 H53 N16 Na5 O83 Sb2 W19.892 Zn2.108 -","- C48 H53 N16 Na5 O83 Sb2 W19.892 Zn2.108 -","1","0.5","","Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette","Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15651","15655","10.1039/c8dt02787k","","x-ray","0.71073","MoKα","","0.0519","0.0403","","","0.0915","0.0956","","","","","","1.018","","","","has coordinates,has disorder","229268","2020-10-21","18:00:00",""
"7047774","12.3753","0.0007","13.652","0.0008","17.091","0.001","70.12","0.002","83.879","0.002","65.614","0.002","2471.2","0.3","102","2","101.85","","","","","","","","","10","P -1","-P 1","2","Krebs-Cadmium-tungstoantimonate","Di-cadmium-di-manganese octadecatungstoantimonate","","- C8 H32 Cd2 Cl Mn2 N2 Na6 O93.5 Sb2 W18 -","- C8 H32 Cd2 Cl Mn2 N2 Na6 O93.5 Sb2 W18 -","- C8 H32 Cd2 Cl Mn2 N2 Na6 O93.5 Sb2 W18 -","1","0.5","","Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette","Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15651","15655","10.1039/c8dt02787k","","x-ray","0.71073","MoKα","","0.0713","0.0652","","","0.1693","0.178","","","","","","1.109","","","","has coordinates,has disorder","229268","2020-10-21","18:00:00",""
"7047775","12.4792","0.0008","17.4813","0.0013","17.6938","0.0011","94.425","0.004","109.14","0.003","104.946","0.004","3467.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","Hexa-zinc-18-tungstoantimonate","","","- C68 H109 N22 O94 Sb2 W18 Zn6 -","- C68 H105 N22 O94.6 Sb2 W17.9 Zn6 -","- C68 H105 N22 O94.6 Sb2 W17.9 Zn6 -","1","0.5","","Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette","Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15651","15655","10.1039/c8dt02787k","","x-ray","0.71073","MoKα","","0.0683","0.0449","","","0.1007","0.1124","","","","","","1.027","","","","has coordinates,has disorder","229268","2020-10-21","18:00:00",""
"7047776","14.5029","0.0012","23.1699","0.0012","18.1162","0.0011","90","","95.44","0.004","90","","6060.2","0.7","100","","100","","","","","","","","","7","C 1 2/m 1","-C 2y","12","(TMA)4Hexa-zinc-18-tungstoantimonate","","","- C16 H48 N4 O72 Sb2 W18 Zn6 -","- C16 H48 N4 O72 Sb2 W18 Zn6 -","- C32 H96 N8 O144 Sb4 W36 Zn12 -","2","0.25","","Tanuhadi, Elias; Roller, Alexander; Giester, Gerald; Kampatsikas, Ioannis; Rompel, Annette","Synthesis of the first Zn<sub>6</sub>-hexagon sandwich-tungstoantimonate via rearrangement of a non-lacunary Krebs-type polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15651","15655","10.1039/c8dt02787k","","","0.71073","MoKα","","0.0783","0.0753","","","0.1982","0.2026","","","","","","1.069","","","","has coordinates","229268","2020-10-21","18:00:00",""
"7047778","8.0169","0.0006","12.0185","0.0009","23.9871","0.0017","90","","90.409","0.003","90","","2311.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","LS113","","","- C26 H29 N3 -","- C26 H29 N3 -","- C104 H116 N12 -","4","1","","Shaw, Thomas E.; Shultz, Lorianne R.; Garayeva, Louiza R.; Blair, Richard G.; Noll, Bruce C.; Jurca, Titel","Mechanochemical routes for the synthesis of acetyl- and bis-(imino)pyridine ligands and organometallics.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16876","16884","10.1039/c8dt03608j","","","1.54178","CuKα","","0.0653","0.0598","","","0.1483","0.1524","","","","","","1.08","","","","has coordinates,has disorder","229674","2020-10-21","18:00:00",""
"7047779","8.445","0.003","11.908","0.003","12.414","0.004","99.74","0.03","103.51","0.03","90.24","0.03","1195.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl Co N4 O10 -","- C22 H22 Cl Co N4 O10 -","- C44 H44 Cl2 Co2 N8 O20 -","2","1","","Safdari, Rasoul; Mohammadi, Mohammad Reza; Hołyńska, Małgorzata; Chernev, Petko; Dau, Holger; Najafpour, Mohammad Mahdi","A mononuclear cobalt complex for water oxidation: new controversies and puzzles.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16668","16673","10.1039/c8dt03147a","","","0.71073","MoKα","","0.0283","0.0258","","","0.0739","0.0755","","","","","","1.016","","","","has coordinates,has disorder","229639","2020-10-21","18:00:00",""
"7047780","14.1451","0.0007","15.0385","0.001","20.0036","0.0009","94.129","0.002","100.295","0.002","117.96","0.001","3638.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","(^CF3^ap)3Mo . 2.5(CHCl3) . CH3CN","Tris-(2-(4-trifluoromethylphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) chloroform solvate acetonitrile solvate","","- C67.5 H77.5 Cl7.5 F9 Mo N4 O3 -","- C67.5 H77.5 Cl7.5 F9 Mo N4 O3 -","- C135 H155 Cl15 F18 Mo2 N8 O6 -","2","1","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0909","0.0581","","","0.1475","0.1655","","","","","","1.042","","","","has coordinates,has disorder","229432","2020-10-21","18:00:00",""
"7047781","16.4155","0.0008","23.0354","0.0011","22.6673","0.0011","90","","109.016","0.0015","90","","8103.6","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","/m(O)-(Mo(O)(^H^ap)(^H^apH))~2~ . C7D8","μ-oxo-bis(oxo-(2-(phenylamido)-4,6-di-tert-butylphenoxo)- (2-(phenylamino)-4,6-di-tert-butylphenoxo)molybdenum(VI))deuterotoluene solvate","","- C87 H102 D8 Mo2 N4 O7 -","- C87 H102 D8 Mo2 N4 O7 -","- C348 H408 D32 Mo8 N16 O28 -","4","1","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.045","0.0313","","","0.073","0.0808","","","","","","1.07","","","","has coordinates","229432","2020-10-21","18:00:00",""
"7047782","13.9143","0.0006","25.948","0.0012","24.7282","0.0012","90","","93.1909","0.0016","90","","8914.2","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Mo(^tbu2C6H3^ap)3 . CDCl3 . 2.5(CH3CN)","Tris-(2-(3,5-di-tert-butylphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) deuterochloroform solvate acetonitrile solvate","","- C180 H261 Cl6 D2 Mo2 N11 O6 -","- C180 H261 Cl6 D2 Mo2 N11 O6 -","- C360 H522 Cl12 D4 Mo4 N22 O12 -","2","0.5","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0454","0.0348","","","0.0889","0.0943","","","","","","1.056","","","","has coordinates,has disorder","229432","2020-10-21","18:00:00",""
"7047783","10.6486","0.0009","10.2739","0.0005","17.2886","0.0008","90","","96.788","0.002","90","","1878.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","^CF3^Ph^iq^","2-(4-trifluoromethylphenylimino)-4,6-di-tert-butyl-1,2-benzoquinone","","- C21 H24 F3 N O -","- C21 H24 F3 N O -","- C84 H96 F12 N4 O4 -","4","1","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0453","0.0369","","","0.0965","0.1013","","","","","","1.041","","","","has coordinates","229432","2020-10-21","18:00:00",""
"7047784","15.6829","0.0011","17.7027","0.0013","21.193","0.0015","90","","94.044","0.003","90","","5869.2","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(^H^ap)3Mo . C6H6","Tris(2-(phenylamido)-4,6-di-tert-butylphenoxo)molybdenum(VI) benzene solvate","","- C66 H81 Mo N3 O3 -","- C66 H81 Mo N3 O3 -","- C264 H324 Mo4 N12 O12 -","4","1","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0532","0.0337","","","0.0798","0.0901","","","","","","1.033","","","","has coordinates","229432","2020-10-21","18:00:00",""
"7047785","28.0584","0.0018","35.163","0.0018","19.4064","0.001","90","","106.411","0.0017","90","","18366.6","1.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Mo(^OCH3^ap)3 . 0.67(CH3CN)","Tris-(2-(4-methoxyphenyl)-amido-4,6-di-tert-butylphenoxide)molybdenum(VI) acetonitrile solvate","","- C64.33 H83 Mo N3.67 O6 -","- C64.3333 H83 Mo N3.66667 O6 -","- C772 H996 Mo12 N44 O72 -","12","3","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0583","0.0397","","","0.0901","0.0984","","","","","","1.072","","","","has coordinates,has disorder","229432","2020-10-21","18:00:00",""
"7047786","15.1553","0.0008","15.2866","0.0008","23.9707","0.0012","75.331","0.0016","79.4159","0.0017","72.7891","0.0016","5096.1","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","/m(O)-(Mo(O)(^PhCH2^ap)(^PhCH2^apH))~2~ . C7H8","μ-oxo-bis(oxo-(2-(4-benzylphenylamido-4,6-di-tert-butylphenoxo)- (2-(4-benzylphenylamino)-4,6-di-tert-butylphenoxo)molybdenum(VI))toluene solvate","","- C115 H134 Mo2 N4 O7 -","- C108 H126 Mo2 N4 O7 -","- C216 H252 Mo4 N8 O14 -","2","1","","Erickson, Alexander N.; Brown, Seth N.","Molybdenum(vi) tris(amidophenoxide) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15583","15595","10.1039/c8dt03392g","","","0.71073","MoKα","","0.0971","0.0641","","","0.1577","0.1721","","","","","","1.085","","","","has coordinates,has disorder","229432","2020-10-21","18:00:00",""
"7047787","10.9146","0.0004","17.6184","0.0005","15.8629","0.0006","90","","105.614","0.004","90","","2937.83","0.18","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H96 Cu2 N6 O12 -","- C54 H96 Cu2 N6 O12 -","- C108 H192 Cu4 N12 O24 -","2","0.5","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0586","0.0528","","","0.142","0.1475","","","","","","0.939","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047788","29.0609","0.0015","15.6531","0.0008","12.2183","0.0005","90","","92.987","0.004","90","","5550.5","0.5","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C154 H242 Cu16 N54 O54 -","- C154 H242 Cu16 N54 O54 -","- C154 H242 Cu16 N54 O54 -","1","0.125","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0723","0.063","","","0.1712","0.1776","","","","","","1.013","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047789","15.0218","0.0008","11.1523","0.0005","31.38","0.0016","90","","90","","90","","5257","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H64 Cu4 N12 O15 -","- C40 H64 Cu4 N12 O15 -","- C160 H256 Cu16 N48 O60 -","4","0.5","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0764","0.0618","","","0.1362","0.1418","","","","","","1.16","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047790","12.5142","0.0004","14.8174","0.0004","17.5522","0.0008","90","","110.656","0.004","90","","3045.4","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cu3 N7 O9 -","- C28 H35 Cu3 N7 O9 -","- C112 H140 Cu12 N28 O36 -","4","1","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0438","0.0363","","","0.0942","0.099","","","","","","1.043","","","","has coordinates","229960","2020-10-21","18:00:00",""
"7047791","11.12","0.0003","23.06","0.0008","21.5519","0.0006","90","","92.68","0.003","90","","5520.4","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H138 Cu8 N28 O27 -","- C82 H138 Cu8 N28 O27 -","- C164 H276 Cu16 N56 O54 -","2","0.5","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0686","0.0543","","","0.1477","0.1596","","","","","","1.021","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047792","11.0508","0.0003","17.5032","0.0005","15.586","0.0005","90","","108.782","0.003","90","","2854.18","0.15","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H87 Cu2 N7 O8 -","- C52 H87 Cu2 N7 O8 -","- C104 H174 Cu4 N14 O16 -","2","0.5","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","1.54184","CuKα","","0.0922","0.0813","","","0.2402","0.2543","","","","","","1.092","","","","has coordinates,has disorder","229960","2020-10-21","18:00:00",""
"7047793","15.1842","0.0004","17.1284","0.0004","22.2597","0.0006","90","","109.748","0.003","90","","5448.8","0.3","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H86 Cu2 N8 O6 -","- C52 H86 Cu2 N8 O6 -","- C208 H344 Cu8 N32 O24 -","4","1","","Weheabby, Saddam; Abdulmalic, Mohammad A.; Atzori, Matteo; Sessoli, Roberta; Aliabadi, Azar; Rüffer, Tobias","Promotion of antiferromagnetic exchange interaction in multinuclear copper(ii) complexes via fused oxamato/oxamidato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16164","16181","10.1039/c8dt03691h","","","0.71073","MoKα","","0.0436","0.0324","","","0.0803","0.0848","","","","","","1.031","","","","has coordinates","229960","2020-10-21","18:00:00",""
"7047794","15.7882","0.0007","19.1313","0.0009","14.6344","0.0008","90","","90","","90","","4420.3","0.4","170","2","170","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C40 H26 F6 Mn N10 O6 S6 -","- C40 H26 F6 Mn N10 O6 S6 -","- C160 H104 F24 Mn4 N40 O24 S24 -","4","0.5","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0619","0.0412","","","0.0933","0.106","","","","","","1.042","","","","has coordinates,has disorder","229280","2020-10-21","18:00:00",""
"7047795","10.9579","0.0004","11.0245","0.0004","22.8045","0.0008","90","","103.522","0.0012","90","","2678.54","0.17","150","2","150","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C43.2 H30.8 F6 Fe N11.6 O7 S6 -","- C43.2 H30.8 F6 Fe N11.6 O7.001 S6 -","- C86.4 H61.6 F12 Fe2 N23.2 O14.002 S12 -","2","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0465","0.0433","","","0.118","0.12","","","","","","1.086","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047796","22.486","0.007","6.0358","0.0018","11.857","0.004","90","","90","","90","","1609.2","0.9","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H12 N4 S2 -","- C19 H12 N4 S2 -","- C76 H48 N16 S8 -","4","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0611","0.0458","","","0.0982","0.1096","","","","","","1.033","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047797","11.157","0.0008","11.277","0.0009","18.8943","0.0013","75.071","0.003","82.746","0.003","89.138","0.003","2278.2","0.3","173","2","172.98","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cl2 N10 Ni O4 S4 -","- C42 H42 Cl2 N10 Ni O4 S4 -","- C84 H84 Cl4 N20 Ni2 O8 S8 -","2","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.064","0.0506","","","0.11","0.12","","","","","","1.128","","","","has coordinates,has disorder","229280","2020-10-21","18:00:00",""
"7047798","11.185","0.004","12.015","0.005","13.609","0.008","102.372","0.019","94.93","0.02","107.958","0.017","1676.5","1.4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N5 S2 -","- C19 H13 N5 S2 -","- C76 H52 N20 S8 -","4","2","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0699","0.0496","","","0.1016","0.1204","","","","","","1.132","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047799","17.532","0.004","11.793","0.003","18.17","0.004","90","","91.443","0.008","90","","3755.5","1.5","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cl2 Co N10 S4 -","- C38 H26 Cl2 Co N10 S4 -","- C152 H104 Cl8 Co4 N40 S16 -","4","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0562","0.0425","","","0.0898","0.1059","","","","","","1.126","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047800","10.4736","0.0007","11.5949","0.0007","20.9064","0.0015","95.96","0.003","95.697","0.003","94.746","0.003","2501.6","0.3","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H32.5 B2 F8 Fe N11.5 O S4 -","- C41 H30.5 B2 F8 Fe N11.5 O S4 -","- C82 H61 B4 F16 Fe2 N23 O2 S8 -","2","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.1145","0.0924","","","0.2449","0.2643","","","","","","1.078","","","","has coordinates,has disorder","229280","2020-10-21","18:00:00",""
"7047801","27.6103","0.0009","11.4305","0.0004","29.8443","0.0008","90","","103.998","0.001","90","","9139.1","0.5","173","2","173.19","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 F6 N10 O7 S6 Zn -","- C41 H30 F6 N10 O7 S6 Zn -","- C328 H240 F48 N80 O56 S48 Zn8 -","8","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0672","0.0541","","","0.1127","0.1182","","","","","","1.159","","","","has coordinates,has disorder","229280","2020-10-21","18:00:00",""
"7047802","9.3785","0.0004","18.3497","0.0009","14.957","0.0007","90","","92.422","0.0016","90","","2571.7","0.2","173","2","172.82","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cu N8 O7 S2 -","- C22 H20 Cu N8 O7 S2 -","- C88 H80 Cu4 N32 O28 S8 -","4","1","","Pringouri, Konstantina; Anwar, Muhammad U.; Mansour, Liz; Doupnik, Nathan; Beldjoudi, Yassine; Gavey, Emma L.; Pilkington, Melanie; Rawson, Jeremy M.","A novel bis-1,2,4-benzothiadiazine pincer ligand: synthesis, characterization and first row transition metal complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15725","15736","10.1039/c8dt03346c","","","0.71073","MoKα","","0.0425","0.0355","","","0.0796","0.0872","","","","","","1.179","","","","has coordinates","229280","2020-10-21","18:00:00",""
"7047803","11.902","0.0017","15.599","0.002","16.875","0.002","95.136","0.002","106.825","0.002","94.628","0.002","2968.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- As6 Fe7 H126 Mo22 N25 O111 -","- As6 Fe7 Mo22 O136 -","- As6 Fe7 Mo22 O136 -","1","0.5","","Wu, Panfeng; Zhang, Yanping; Feng, Caiting; Liu, Bin; Hu, Huaiming; Xue, Ganglin","A large, X-shaped polyoxometalate [As<sub>6</sub>Fe<sub>7</sub>Mo<sub>22</sub>O<sub>98</sub>]<sup>25-</sup> assembled from [AsMo<sub>7</sub>O<sub>27</sub>]<sup>9-</sup> and [FeMo<sub>4</sub>O<sub>19</sub>]<sup>11-</sup> moieties.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15661","15665","10.1039/c8dt02647e","","","0.71073","MoKα","","0.1008","0.0599","","","0.1535","0.1814","","","","","","0.992","","","","has coordinates","229267","2020-10-21","18:00:00",""
"7047804","10.1814","0.0003","13.3856","0.0004","37.3018","0.0012","90","","90","","90","","5083.6","0.3","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N8 O2 Zn2 -","- C56 H56 N8 O2 Zn2 -","- C224 H224 N32 O8 Zn8 -","4","1","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.0326","0.0301","","","0.075","0.0765","","","","","","1.054","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7047805","13.6954","0.0008","13.8027","0.0008","19.603","0.0011","78.331","0.003","89.408","0.003","81.562","0.003","3589","0.4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H60 N4 O Si2 Zn -","- C29 H60 N4 O Si2 Zn -","- C116 H240 N16 O4 Si8 Zn4 -","4","2","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.1085","0.0644","","","0.1432","0.166","","","","","","1.021","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7047806","18.872","0.0005","18.6906","0.0005","12.3226","0.0003","90","","105.365","0.001","90","","4191.18","0.19","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H66 N4 O Si2 Zn -","- C39 H66 N4 O Si2 Zn -","- C156 H264 N16 O4 Si8 Zn4 -","4","1","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.0567","0.0509","","","0.1396","0.1462","","","","","","1.044","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7047807","11.4428","0.0007","11.9319","0.0008","14.2169","0.0009","90","","90","","90","","1941.1","0.2","100","2","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C44 H44 N6 Zn -","- C44 H44 N6 Zn -","- C88 H88 N12 Zn2 -","2","0.5","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.0391","0.0361","","","0.0896","0.0909","","","","","","1.12","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7047808","9.9872","0.0006","24.3367","0.0016","11.7387","0.0007","90","","102.843","0.002","90","","2781.8","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H47 N3 O Zn -","- C25 H47 N3 O Zn -","- C100 H188 N12 O4 Zn4 -","4","1","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.54178","CuKα","","0.0882","0.0586","","","0.1964","0.2791","","","","","","1.271","","","","has coordinates,has disorder","229968","2020-10-21","18:00:00",""
"7047809","28.994","0.008","10.646","0.003","23.517","0.007","90","","119.288","0.005","90","","6331","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Cl6 Dy N3 O4 -","- C30 H20 Cl6 Dy N3 O4 -","- C240 H160 Cl48 Dy8 N24 O32 -","8","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0681","0.0379","","","0.093","0.1096","","","","","","1.021","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047810","11.1454","0.0003","17.8782","0.0003","13.0034","0.0003","90","","100.471","0.002","90","","2547.9","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Dy N7 O9 -","- C24 H16 Dy N7 O9 -","- C96 H64 Dy4 N28 O36 -","4","0.5","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","x-ray","0.71073","MoKα","","0.0242","0.0211","","","0.0431","0.0447","","","","","","1.097","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047811","13.367","0.0004","13.7483","0.0004","20.973","0.0006","71.835","0.003","79.055","0.003","86.694","0.003","3595.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C123 H82 Br24 Cl9 Dy4 N12 O16 -","- C123 H82 Br24 Cl9 Dy4 N12 O16 -","- C123 H82 Br24 Cl9 Dy4 N12 O16 -","1","0.5","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","1.54184","CuKα","","0.0539","0.0481","","","0.1256","0.1293","","","","","","1.038","","","","has coordinates,has disorder","229288","2020-10-21","18:00:00",""
"7047812","13.552","0.004","16.758","0.005","14.397","0.004","90","","97.625","0.004","90","","3240.7","1.6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Br4 Er N5 O5 -","- C32 H20 Br4 Er N5 O5 -","- C128 H80 Br16 Er4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0378","0.0253","","","0.0576","0.0616","","","","","","1.039","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047813","13.221","0.003","16.762","0.004","14.398","0.003","90","","97.62","0.004","90","","3162.6","1.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl4 N5 O5 Tb -","- C32 H20 Cl4 N5 O5 Tb -","- C128 H80 Cl16 N20 O20 Tb4 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0317","0.0246","","","0.0664","0.0709","","","","","","1.023","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047814","13.2312","0.0018","16.689","0.002","14.353","0.0019","90","","97.769","0.002","90","","3140.3","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl4 Ho N5 O5 -","- C32 H20 Cl4 Ho N5 O5 -","- C128 H80 Cl16 Ho4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0303","0.0222","","","0.0594","0.0637","","","","","","1.054","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047815","13.2305","0.0003","16.654","0.0003","14.3223","0.0003","90","","97.802","0.002","90","","3126.57","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl4 Er N5 O5 -","- C32 H20 Cl4 Er N5 O5 -","- C128 H80 Cl16 Er4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","x-ray","0.71073","MoKα","","0.0313","0.0237","","","0.0493","0.0529","","","","","","1.04","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047816","13.5432","0.0011","16.8109","0.0013","14.4543","0.0011","90","","97.514","0.001","90","","3262.6","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Br4 N5 O5 Tb -","- C32 H20 Br4 N5 O5 Tb -","- C128 H80 Br16 N20 O20 Tb4 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0443","0.028","","","0.0571","0.0623","","","","","","1.009","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047817","13.5558","0.0002","16.7642","0.0002","14.3978","0.0002","90","","97.621","0.001","90","","3243.03","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Br4 Ho N5 O5 -","- C32 H20 Br4 Ho N5 O5 -","- C128 H80 Br16 Ho4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","x-ray","0.71073","MoKα","","0.0337","0.0242","","","0.05","0.0523","","","","","","1.043","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047818","13.0622","0.0006","16.6648","0.0008","14.2828","0.0006","90","","97.727","0.001","90","","3080.8","0.2","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cl4 Dy N5 O5 -","- C32 H20 Cl4 Dy N5 O5 -","- C128 H80 Cl16 Dy4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0457","0.0284","","","0.056","0.0619","","","","","","1.078","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047819","13.583","0.003","16.809","0.004","14.442","0.003","90","","97.666","0.004","90","","3267.9","1.3","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Br4 Dy N5 O5 -","- C32 H20 Br4 Dy N5 O5 -","- C128 H80 Br16 Dy4 N20 O20 -","4","1","","Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei","Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15929","15940","10.1039/c8dt03133a","","","0.71073","MoKα","","0.0532","0.0303","","","0.0686","0.0767","","","","","","1.021","","","","has coordinates","229288","2020-10-21","18:00:00",""
"7047820","11.0708","0.001","10.9858","0.001","25.3641","0.0019","90","","98.531","0.002","90","","3050.7","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H43 Lu N4 Si -","- C32 H43 Lu N4 Si -","- C128 H172 Lu4 N16 Si4 -","4","1","","Li, Min; Wang, Chaopan; Chen, Jue; Guo, Zhiyong; Mou, Zehuai; Luo, Yunjie","Controlled iso-specific polymerization of 2-vinylpyridine catalyzed by arylamide-ligated rare-earth metal aminobenzyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15967","15976","10.1039/c8dt03330g","","","0.71073","MoKα","","0.049","0.0333","","","0.0856","0.1024","","","","","","1.02","","","","has coordinates","229282","2020-10-21","18:00:00",""
"7047821","10.7785","0.0014","19.049","0.002","20.938","0.003","107.62","0.003","99.596","0.003","90.938","0.003","4029.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H108 N10 Y2 -","- C88 H108 N10 Y2 -","- C176 H216 N20 Y4 -","2","1","","Li, Min; Wang, Chaopan; Chen, Jue; Guo, Zhiyong; Mou, Zehuai; Luo, Yunjie","Controlled iso-specific polymerization of 2-vinylpyridine catalyzed by arylamide-ligated rare-earth metal aminobenzyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15967","15976","10.1039/c8dt03330g","","","0.71073","MoKα","","0.2254","0.0944","","","0.2261","0.2933","","","","","","0.92","","","","has coordinates","229282","2020-10-21","18:00:00",""
"7047822","11.253","0.003","15.77","0.004","16.526","0.005","90","","90.94","0.008","90","","2932.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 La N4 -","- C32 H41 La N4 -","- C128 H164 La4 N16 -","4","1","","Li, Min; Wang, Chaopan; Chen, Jue; Guo, Zhiyong; Mou, Zehuai; Luo, Yunjie","Controlled iso-specific polymerization of 2-vinylpyridine catalyzed by arylamide-ligated rare-earth metal aminobenzyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15967","15976","10.1039/c8dt03330g","","","0.71073","MoKα","","0.1247","0.089","","","0.2052","0.2416","","","","","","1.005","","","","has coordinates","229282","2020-10-21","18:00:00",""
"7047823","9.2659","0.0012","16.3431","0.0016","6.6326","0.0005","90","","90","","90","","1004.4","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B14 F4 Na6 O22 -","- B14 F4 Na6 O22 -","- B28 F8 Na12 O44 -","2","0.25","","Tang, Changcheng; Jiang, XingXing; Yin, Wenlong; Liu, Lijuan; Xia, Mingjun; Huang, Qian; Song, Gaomin; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian","Na<sub>3</sub>B<sub>7</sub>O<sub>11</sub>F<sub>2</sub>: a new sodium-rich fluorooxoborate with a unique [B<sub>14</sub>O<sub>24</sub>F<sub>4</sub>] ring and a short ultraviolet absorption edge.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","21","24","10.1039/c8dt03348j","","","0.71073","MoKα","","0.0514","0.0386","","","0.1081","0.1184","","","","","","1.052","","","","has coordinates","223943","2020-10-21","18:00:00",""
"7047824","8.4013","0.0006","9.4328","0.0006","16.0385","0.0011","84.045","0.002","84.266","0.002","78.661","0.002","1235.35","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Cl4 Cu2 N8 O16 -","- C44 H42 Cl4 Cu2 N8 O16 -","- C44 H42 Cl4 Cu2 N8 O16 -","1","0.5","","Suktanarak, Pattira; Watchasit, Sarayut; Chitchak, Kantima; Plainpan, Nukorn; Chainok, Kittipong; Vanalabhpatana, Parichatr; Pienpinijtham, Prompong; Suksai, Chomchai; Tuntulani, Thawatchai; Ruangpornvisuti, Vithaya; Leeladee, Pannee","Tuning the reactivity of copper complexes supported by tridentate ligands leading to two-electron reduction of dioxygen.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16337","16349","10.1039/c8dt03183e","","x-ray","0.71073","MoKα","K-L~3~","0.1027","0.0596","","","0.1361","0.1562","","","","","","1.031","","","","has coordinates,has disorder","229962","2020-10-21","18:00:00",""
"7047825","10.038","0.0003","10.6269","0.0003","12.7725","0.0004","109.764","0.001","95.845","0.001","97.653","0.001","1254.94","0.07","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Cl4 Cu2 N8 O18 -","- C44 H46 Cl4 Cu2 N8 O18 -","- C44 H46 Cl4 Cu2 N8 O18 -","1","0.5","","Suktanarak, Pattira; Watchasit, Sarayut; Chitchak, Kantima; Plainpan, Nukorn; Chainok, Kittipong; Vanalabhpatana, Parichatr; Pienpinijtham, Prompong; Suksai, Chomchai; Tuntulani, Thawatchai; Ruangpornvisuti, Vithaya; Leeladee, Pannee","Tuning the reactivity of copper complexes supported by tridentate ligands leading to two-electron reduction of dioxygen.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16337","16349","10.1039/c8dt03183e","","x-ray","0.71073","MoKα","K-L~3~","0.0618","0.043","","","0.1074","0.1175","","","","","","1.024","","","","has coordinates,has disorder","229962","2020-10-21","18:00:00",""
"7047826","11.5432","0.0011","12.0648","0.0012","20.011","0.0018","90","","94.684","0.003","90","","2777.6","0.5","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Cl4 Cu2 N6 O8 -","- C54 H46 Cl4 Cu2 N6 O8 -","- C108 H92 Cl8 Cu4 N12 O16 -","2","0.5","","Suktanarak, Pattira; Watchasit, Sarayut; Chitchak, Kantima; Plainpan, Nukorn; Chainok, Kittipong; Vanalabhpatana, Parichatr; Pienpinijtham, Prompong; Suksai, Chomchai; Tuntulani, Thawatchai; Ruangpornvisuti, Vithaya; Leeladee, Pannee","Tuning the reactivity of copper complexes supported by tridentate ligands leading to two-electron reduction of dioxygen.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16337","16349","10.1039/c8dt03183e","","x-ray","0.71073","MoKα","K-L~3~","0.0693","0.0448","","","0.112","0.124","","","","","","1.023","","","","has coordinates,has disorder","229962","2020-10-21","18:00:00",""
"7047827","11.7397","0.0004","13.8992","0.0005","21.0927","0.0008","90","","90.547","0.002","90","","3441.6","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 Cu N3 O3.5 -","- C17 H22 Cu N3 O3.5 -","- C136 H176 Cu8 N24 O28 -","8","1","","Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16747","16754","10.1039/c8dt03210f","","","0.71073","MoKα","","0.0326","0.0287","","","0.0708","0.0725","","","","","","1.07","","","","has coordinates","229651","2020-10-21","18:00:00",""
"7047828","14.5925","0.0006","13.2202","0.0006","16.1405","0.0006","90","","101.955","0.002","90","","3046.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cl Cu N3 O -","- C15 H18 Cl Cu N3 O -","- C120 H144 Cl8 Cu8 N24 O8 -","8","1","","Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16747","16754","10.1039/c8dt03210f","","","0.71073","MoKα","","0.0259","0.0228","","","0.0582","0.0598","","","","","","1.043","","","","has coordinates","229651","2020-10-21","18:00:00",""
"7047829","13.75","0.003","7.8669","0.0017","16.223","0.004","90","","98.271","0.01","90","","1736.6","0.7","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H42 Cu2 N6 O6 -","- C34 H42 Cu2 N6 O6 -","- C68 H84 Cu4 N12 O12 -","2","0.5","","Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16747","16754","10.1039/c8dt03210f","","","0.71073","MoKα","","0.0633","0.047","","","0.1163","0.1253","","","","","","1.05","","","","has coordinates","229651","2020-10-21","18:00:00",""
"7047830","14.8335","0.0005","13.3212","0.0004","16.1662","0.0005","90","","101.822","0.001","90","","3126.68","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Br Cu N3 O -","- C15 H18 Br Cu N3 O -","- C120 H144 Br8 Cu8 N24 O8 -","8","1","","Pandiri, Hanumanprasad; Gonnade, Rajesh G.; Punji, Benudhar","Synthesis of quinolinyl-based pincer copper(ii) complexes: an efficient catalyst system for Kumada coupling of alkyl chlorides and bromides with alkyl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16747","16754","10.1039/c8dt03210f","","","0.71073","MoKα","","0.0252","0.0209","","","0.051","0.0527","","","","","","1.058","","","","has coordinates","229651","2020-10-21","18:00:00",""
"7047831","28.8235","0.0009","24.5281","0.0008","20.8021","0.0007","90","","105.82","0.002","90","","14149.7","0.8","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H111 Cu5 N6 Na O28.33 Si12 -","- C114 H111 Cu5 N6 Na O28.3333 Si12 -","- C456 H444 Cu20 N24 Na4 O113.333 Si48 -","4","1","","Kulakova, Alena N.; Bilyachenko, Alexey N.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Bantreil, Xavier; Lamaty, Frédéric; Shubina, Elena S.; Levitsky, Mikhail M.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.","A new ""bicycle helmet""-like copper(ii),sodiumphenylsilsesquioxane. Synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15666","15669","10.1039/c8dt03209b","","","1.54178","CuKα","","0.1013","0.091","","","0.2299","0.2395","","","","","","1.012","","","","has coordinates,has disorder","229279","2020-10-21","18:00:00",""
"7047833","8.3726","0.0002","12.5886","0.0004","20.3571","0.0006","90","","99.644","0.003","90","","2115.3","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1a","","- C21 H26 N O5 Ru -","- C21 H26 N O5 Ru -","- C84 H104 N4 O20 Ru4 -","4","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","","0.71073","MoKα","","0.038","0.029","","","0.0883","0.1102","","","","","","1.277","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047834","9.772","0.0004","11.2425","0.0004","11.654","0.0003","71.213","0.003","85.477","0.003","79.983","0.003","1193.28","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5b","","- C23 H24 Cl N O6 Ru -","- C23 H24 Cl N O6 Ru -","- C46 H48 Cl2 N2 O12 Ru2 -","2","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0669","0.0512","","","0.1424","0.1739","","","","","","1.086","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047835","11.3588","0.0012","12.8458","0.0013","15.7582","0.0018","107.603","0.01","97.419","0.009","90.534","0.008","2170.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1c","","- C44 H56 N2 O12 Ru2 -","- C44 H56 N2 O12 Ru2 -","- C88 H112 N4 O24 Ru4 -","2","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.1611","0.0946","","","0.1932","0.2347","","","","","","1.078","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047836","12.4919","0.0004","8.8549","0.0002","22.3944","0.0006","90","","105.445","0.003","90","","2387.69","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4c","","- C22 H28 N2 O6 Ru -","- C22 H28 N2 O6 Ru -","- C88 H112 N8 O24 Ru4 -","4","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0299","0.0265","","","0.062","0.0643","","","","","","1.059","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047837","9.4676","0.0003","11.9575","0.0004","12.7857","0.0003","64.818","0.003","78.619","0.003","69.402","0.003","1224.21","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","5c","","- C12 H15 N0.5 O3.5 Ru0.5 -","- C12 H15 N0.5 O3.5 Ru0.5 -","- C48 H60 N2 O14 Ru2 -","4","2","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0621","0.0446","","","0.1033","0.1228","","","","","","1.112","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047838","8.4297","0.0002","12.4543","0.0003","20.9818","0.0005","90","","99.129","0.002","90","","2174.89","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C21 H26 N O4 Ru S -","- C21 H26 N O4 Ru S -","- C84 H104 N4 O16 Ru4 S4 -","4","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0236","0.0218","","","0.0653","0.0672","","","","","","1.189","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047839","8.2589","0.0003","12.7453","0.0004","20.9922","0.0005","90","","97.68","0.002","90","","2189.86","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1b","","- C21 H25 Cl N O5 Ru -","- C21 H25 Cl N O5 Ru -","- C84 H100 Cl4 N4 O20 Ru4 -","4","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0286","0.0242","","","0.0601","0.0627","","","","","","1.066","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047840","9.7016","0.0003","11.2609","0.0003","11.3567","0.0003","107.004","0.002","109.034","0.002","99.357","0.002","1074.96","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","4b","","- C21 H25 Cl N2 O5 Ru -","- C21 H25 Cl N2 O5 Ru -","- C42 H50 Cl2 N4 O10 Ru2 -","2","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0273","0.0237","","","0.055","0.0563","","","","","","1.057","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047841","9.1225","0.0003","11.024","0.0004","11.8754","0.0003","90.007","0.003","107.513","0.003","102.473","0.003","1109.31","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3b","","- C21 H25 Cl N2 O4 Ru -","- C21 H26 Cl N2 O4 Ru -","- C42 H52 Cl2 N4 O8 Ru2 -","2","1","","Bera, Sudip Kumar; Panda, Sanjib; Dey Baksi, Sourajit; Lahiri, Goutam Kumar","Diverse modes of functionalisation of ruthenium coordinated β-ketoiminate analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15897","15906","10.1039/c8dt02940g","","x-ray","0.71073","MoKα","","0.0314","0.0269","","","0.0632","0.0651","","","","","","1.083","","","","has coordinates","229271","2020-10-21","18:00:00",""
"7047842","7.2283","0.0004","10.467","0.0004","11.1858","0.0007","90","","90","","90","","846.3","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ZJU-129","","- C5 H11 N O6 Zn -","- C5 H11 N O6 Zn -","- C20 H44 N4 O24 Zn4 -","4","1","","Lin, Wenxin; Cui, Yuanjing; Yang, Yu; Hu, Quan; Qian, Guodong","A biocompatible metal-organic framework as a pH and temperature dual-responsive drug carrier.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15882","15887","10.1039/c8dt03202e","","","0.71073","MoKα","","0.0169","0.016","","","0.0428","0.0433","","","","","","1.011","","","","has coordinates","229283","2020-10-21","18:00:00",""
"7047843","16.503","0.005","10.164","0.005","19.571","0.005","90","0.005","95.459","0.005","90","0.005","3268","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 N0 O2 P2 Pd2 -","- C36 H28 Cl2 O2 P2 Pd2 -","- C144 H112 Cl8 O8 P8 Pd8 -","4","1","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71069","MoKα","","0.0751","0.0438","","","0.0875","0.0979","","","","","","1.017","","","","has coordinates","229281","2020-10-21","18:00:00",""
"7047844","17.7768","0.0007","9.452","0.0004","42.7751","0.0014","90","","98.266","0.002","90","","7112.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H36 N O1.5 P2 Pd -","- C43.5 H36 N O1.5 P2 Pd -","- C348 H288 N8 O12 P16 Pd8 -","8","1","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71073","MoKα","","0.0557","0.0465","","","0.0871","0.093","","","","","","0.748","","","","has coordinates","229281","2020-10-21","18:00:00",""
"7047845","13.6607","0.0005","16.4857","0.0006","19.0403","0.0008","90","","108.269","0.002","90","","4071.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 Cl N2 O2 P2 Pd2 -","- C48 H37 Cl N2 O2 P2 Pd2 -","- C192 H148 Cl4 N8 O8 P8 Pd8 -","4","1","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71073","MoKα","","0.0683","0.0463","","","0.0878","0.0942","","","","","","1.058","","","","has coordinates,has disorder","229281","2020-10-21","18:00:00",""
"7047846","24.4601","0.0012","14.8032","0.0007","25.3318","0.0012","90","","98.606","0.003","90","","9069.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 N O P3 Pd -","- C50 H42 N O P3 Pd -","- C400 H336 N8 O8 P24 Pd8 -","8","1","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71073","MoKα","","0.0683","0.0419","","","0.1027","0.1099","","","","","","1.059","","","","has coordinates","229281","2020-10-21","18:00:00",""
"7047847","23.8548","0.0012","9.0603","0.0005","35.985","0.002","90","","106.589","0.003","90","","7453.8","0.7","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C77 H64 Cl6 N2 O2 P4 Pd2 -","- C77 H64 Cl6 N2 O2 P4 Pd2 -","- C308 H256 Cl24 N8 O8 P16 Pd8 -","4","0.5","","Fernández-Figueiras, Adolfo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Polo-Ces, Paula; Reigosa, Francisco; Adams, Harry; Pereira, M. Teresa; Vila, José M","Palladium iminophosphorane complexes: the pre-cursors to the missing link in triphenylphosphane chalcogenide metallacycles.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15801","15807","10.1039/c8dt03062f","","","0.71073","MoKα","","0.0641","0.0492","","","0.1327","0.1396","","","","","","1.105","","","","has coordinates","229281","2020-10-21","18:00:00",""
"7047848","12.04","0.002","15.83","0.003","17.855","0.004","78.4","0.03","76.3","0.03","72.7","0.03","3125.2","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 F18 La N2 O6 -","- C25 H11 F18 La N2 O6 -","- C100 H44 F72 La4 N8 O24 -","4","2","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.0839","0.0554","","","0.1262","0.1428","","","","","","1.067","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047849","11.993","0.002","15.829","0.003","17.833","0.004","78.46","0.03","76.46","0.03","72.69","0.03","3111.1","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 Ce F18 N2 O6 -","- C25 H11 Ce F17.985 N2 O6 -","- C100 H44 Ce4 F71.94 N8 O24 -","4","2","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.1387","0.0653","","","0.1582","0.2038","","","","","","1.051","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047850","21.819","0.004","11.828","0.002","18.116","0.004","90","","118.98","0.03","90","","4089.9","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 Ce F18 N4 O6 -","- C35 H19 Ce F18 N4 O6 -","- C140 H76 Ce4 F72 N16 O24 -","4","0.5","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.0652","0.044","","","0.0807","0.0934","","","","","","1.074","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047851","11.9492","0.0003","15.854","0.0005","17.8253","0.0005","78.5449","0.0014","76.6137","0.0016","72.7269","0.0015","3106.17","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 F18 N2 O6 Pr -","- C25 H11 F18 N2 O6 Pr -","- C100 H44 F72 N8 O24 Pr4 -","4","2","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.084","0.0485","","","0.111","0.1313","","","","","","1.042","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047852","21.767","0.0002","11.76298","0.00008","18.04081","0.00018","90","","118.823","0.0013","90","","4047","0.08","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F18 N4 Nd O6 -","- C35 H19 F18 N4 Nd O6 -","- C140 H76 F72 N16 Nd4 O24 -","4","0.5","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.0238","0.0232","","","0.0573","0.0579","","","","","","1.032","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047853","11.92","0.0003","15.8414","0.0003","17.8065","0.0004","78.642","0.002","76.711","0.002","72.859","0.002","3096.69","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 F18 N2 Nd O6 -","- C25 H11 F18 N2 Nd O6 -","- C100 H44 F72 N8 Nd4 O24 -","4","2","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.0559","0.0549","","","0.1454","0.1461","","","","","","1.068","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047854","21.786","0.004","11.792","0.002","18.081","0.004","90","","118.89","0.03","90","","4066.9","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F18 N4 O6 Pr -","- C35 H19 F18 N4 O6 Pr -","- C140 H76 F72 N16 O24 Pr4 -","4","0.5","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.0623","0.0459","","","0.0976","0.108","","","","","","1.058","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047855","21.775","0.004","11.724","0.002","18.017","0.004","90","","118.73","0.03","90","","4033.3","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H19 F18 N4 O6 Sm -","- C35 H19 F18 N4 O6 Sm -","- C140 H76 F72 N16 O24 Sm4 -","4","0.5","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.052","0.0459","","","0.1138","0.1186","","","","","","1.082","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047856","11.8612","0.0019","15.851","0.003","17.88","0.003","78.721","0.003","76.813","0.004","72.85","0.003","3097.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 F18 N2 O6 Sm -","- C25 H11 F18 N2 O6 Sm -","- C100 H44 F72 N8 O24 Sm4 -","4","2","","Fatila, Elisabeth M.; Maahs, Adam C.; Hetherington, Erin E.; Cooper, Brandon J.; Cooper, Riley E.; Daanen, Nick N.; Jennings, Michael; Skrabalak, Sara E.; Preuss, Kathryn E.","Stoichiometric control: 8- and 10-coordinate Ln(hfac)<sub>3</sub>(bpy) and Ln(hfac)<sub>3</sub>(bpy)<sub>2</sub> complexes of the early lanthanides La-Sm.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16232","16241","10.1039/c8dt03286f","","","0.71073","MoKα","","0.1162","0.0587","","","0.1123","0.1331","","","","","","1.003","","","","has coordinates,has disorder","229963","2020-10-21","18:00:00",""
"7047857","21.424","0.006","11.429","0.003","21.431","0.006","90","","90.541","0.005","90","","5247","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H85 N4 O24.5 S4 V4 -","- C32 H84 N4 O24.5 S4 V4 -","- C128 H336 N16 O98 S16 V16 -","4","0.5","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.1483","0.0711","","","0.1619","0.2","","","","","","1.02","","","","has coordinates","229276","2020-10-21","18:00:00",""
"7047858","11.3206","0.0008","19.3232","0.0013","11.4459","0.0008","90","","105.226","0.0008","90","","2415.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H31 N3 O28 S4 V6 -","- C18.998 H11 N2.999 O28 S4 V6 -","- C37.996 H22 N5.998 O56 S8 V12 -","2","0.5","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.6939","synchrotron","","0.0599","0.0502","","","0.1569","0.1662","","","","","","1.062","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047859","13.4462","0.0015","13.5404","0.0016","35.104","0.004","90","","90","","90","","6391.3","1.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H92 N9 O25 S4 V5 -","- C38 H92 N9 O25 S4 V5 -","- C152 H368 N36 O100 S16 V20 -","4","1","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.0407","0.0348","","","0.0803","0.0826","","","","","","1.078","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047860","13.459","0.002","14.92","0.003","16.674","0.003","95.233","0.003","111.125","0.003","112.613","0.003","2778.6","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H152 N4 O28 S8 V2 -","- C102 H152 N4 O28 S8 V2 -","- C102 H152 N4 O28 S8 V2 -","1","0.5","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.7749","synchrotron","","0.1115","0.0693","","","0.1276","0.1502","","","","","","1.074","","","","has coordinates","229276","2020-10-21","18:00:00",""
"7047861","16.7286","0.0007","18.2453","0.0008","18.7113","0.0013","101.228","0.007","105.15","0.007","105.573","0.007","5090.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H153 N6 O10 V -","- C108 H153 N6 O10 V -","- C216 H306 N12 O20 V2 -","2","1","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.146","0.0855","","","0.206","0.2372","","","","","","1.038","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047862","11.3807","0.0002","10.7803","0.0002","15.5914","0.0002","90","","100.059","0.001","90","","1883.47","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H56 N2 O19 V6 -","- C20 H56 N2 O19 V6 -","- C40 H112 N4 O38 V12 -","2","0.5","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.0473","0.0396","","","0.0844","0.089","","","","","","1.072","","","","has coordinates","229276","2020-10-21","18:00:00",""
"7047863","13.2439","0.0004","13.3679","0.0004","31.3605","0.001","90","","100.444","0.0005","90","","5460.2","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H82 N5 O26 S4 V5 -","- C30 H80 N5 O26 S4 V5 -","- C120 H320 N20 O104 S16 V20 -","4","2","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.0454","0.0383","","","0.0947","0.0992","","","","","","1.019","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047864","19.595","0.002","8.8375","0.001","6.8748","0.0008","90","","90","","90","","1190.5","0.2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al2 Ba2 Na2 S6 -","- Al2 Ba2 Na2 S6 -","- Al8 Ba8 Na8 S24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0305","0.0223","","","0.0441","0.0479","","","","","","1.055","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047865","19.63","0.02","8.851","0.009","6.869","0.007","90","","90","","90","","1193","2","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga2 Na2 S6 -","- Ba2 Ga2 Na2 S6 -","- Ba8 Ga8 Na8 S24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.039","0.0286","","","0.0638","0.069","","","","","","1.033","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047866","20.461","0.013","9.177","0.006","7.177","0.004","90","","90","","90","","1347.6","1.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga2 Na2 Se6 -","- Ba2 Ga2 Na2 Se6 -","- Ba8 Ga8 Na8 Se24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0408","0.0271","","","0.0447","0.0487","","","","","","1.026","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047867","20.384","0.006","9.171","0.003","7.162","0.002","90","","90","","90","","1338.9","0.7","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Al2 Ba2 Na2 Se6 -","- Al2 Ba2 Na2 Se6 -","- Al8 Ba8 Na8 Se24 -","4","0.5","","Abudurusuli, Ailijiang; Wu, Kui; Rouzhahong, Yilimiranmu; Yang, Zhihua; Pan, Shilie","NaBaM<sup>III</sup>Q<sub>3</sub> (M<sup>III</sup> = Al, Ga; Q = S, Se): first quaternary chalcogenides with isolated edge-sharing (MQ<sub>6</sub>)<sup>6-</sup> dimers.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16044","16047","10.1039/c8dt04048f","","","0.71073","MoKα","","0.0315","0.0232","","","0.0446","0.048","","","","","","1.029","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7047868","14.8629","0.0013","13.3642","0.0012","14.9295","0.0015","90","","90.368","0.003","90","","2965.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Br2 Co N4 -","- C28 H36 Br2 Co N4 -","- C112 H144 Br8 Co4 N16 -","4","0.5","","Chen, Lei; Song, Jingbo; Zhao, Wen; Yi, Gangji; Zhou, Zhikuan; Yuan, Aihua; Song, You; Wang, Zhenxing; Ouyang, Zhong-Wen","A mononuclear five-coordinate Co(ii) single molecule magnet with a spin crossover between the S = 1/2 and 3/2 states.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16596","16602","10.1039/c8dt03783c","","","0.71073","MoKα","","0.088","0.0523","","","0.1691","0.2066","","","","","","1.163","","","","has coordinates","229629","2020-10-21","18:00:00",""
"7047869","14.5641","0.0013","13.2078","0.0012","14.5859","0.0013","90","","90.854","0.001","90","","2805.4","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Br2 Co N4 -","- C28 H36 Br2 Co N4 -","- C112 H144 Br8 Co4 N16 -","4","0.5","","Chen, Lei; Song, Jingbo; Zhao, Wen; Yi, Gangji; Zhou, Zhikuan; Yuan, Aihua; Song, You; Wang, Zhenxing; Ouyang, Zhong-Wen","A mononuclear five-coordinate Co(ii) single molecule magnet with a spin crossover between the S = 1/2 and 3/2 states.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16596","16602","10.1039/c8dt03783c","","","0.71073","MoKα","","0.0259","0.0236","","","0.0637","0.065","","","","","","1.091","","","","has coordinates","229629","2020-10-21","18:00:00",""
"7047870","10.4346","0.0005","33.9316","0.0012","10.1175","0.0005","90","","111.302","0.005","90","","3337.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 O20 Rh4 -","- C54 H90 O20 Rh4 -","- C108 H180 O40 Rh8 -","2","0.5","","Kataoka, Yusuke; Arakawa, Kazuki; Ueda, Hikaru; Yano, Natsumi; Kawamoto, Tatsuya; Handa, Makoto","Experimental and theoretical study of dimer-of-dimers-type tetrarhodium(ii) complexes bridged by 1,4-benzenedicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17233","17242","10.1039/c8dt03293a","","","0.71075","MoKα","","0.0461","0.0392","","","0.1047","0.1093","","","","","","1.109","","","","has coordinates,has disorder","229722","2020-10-21","18:00:00",""
"7047871","11.5391","0.0018","17.587","0.002","16.956","0.003","90","","109.225","0.003","90","","3249.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H86 F4 O20 Rh4 -","- C54 H86 F4 O20 Rh4 -","- C108 H172 F8 O40 Rh8 -","2","0.5","","Kataoka, Yusuke; Arakawa, Kazuki; Ueda, Hikaru; Yano, Natsumi; Kawamoto, Tatsuya; Handa, Makoto","Experimental and theoretical study of dimer-of-dimers-type tetrarhodium(ii) complexes bridged by 1,4-benzenedicarboxylate linkers.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17233","17242","10.1039/c8dt03293a","","","0.71075","MoKα","","0.0321","0.0297","","","0.0708","0.0731","","","","","","1.062","","","","has coordinates","229722","2020-10-21","18:00:00",""
"7047872","14.5624","0.0007","18.1327","0.0011","19.1519","0.0011","90","","90","","90","","5057.2","0.5","140","2","140","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H48 Cl2 Co O4 P4 -","- C60 H48 Cl2 Co O4 P4 -","- C240 H192 Cl8 Co4 O16 P16 -","4","0.5","","Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo; Konar, Sanjit","Single-ion magnetic anisotropy in a vacant octahedral Co(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","25","29","10.1039/c8dt03862g","","","0.71073","MoKα","","0.1112","0.0583","","","0.1114","0.1331","","","","","","1.026","","","","has coordinates","223930","2020-10-21","18:00:00",""
"7047873","11.5264","0.0011","14.2406","0.0014","15.0986","0.0015","72.543","0.003","68.325","0.003","69.161","0.003","2111.5","0.4","150","","150.01","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H92 B2 Fe3 N8 O8 -","- C100 H92 B2 Fe3 N8 O8 -","- C100 H92 B2 Fe3 N8 O8 -","1","0.5","","Liu, Shihao; Deng, Yi-Fei; Li, Chang'An; Chang, Xiaoyong; Zhang, Yuan-Zhu","A linear trinuclear ferrous single molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16704","16708","10.1039/c8dt03410a","","","0.71073","MoKα","","0.0929","0.0625","","","0.1368","0.1524","","","","","","1.111","","","","has coordinates,has disorder","229637","2020-10-21","18:00:00",""
"7047874","11.1506","0.0005","13.696","0.0006","11.6476","0.0005","90","","112.259","0.002","90","","1646.25","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl Cu N4 O -","- C18 H15 Cl Cu N4 O -","- C72 H60 Cl4 Cu4 N16 O4 -","4","1","","Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16242","16254","10.1039/c8dt03137a","","","0.71073","MoKα","","0.0306","0.0269","","","0.0727","0.0752","","","","","","1.058","","","","has coordinates","229954","2020-10-21","18:00:00",""
"7047875","11.418","0.005","14.822","0.007","11.554","0.005","90","","118.16","0.005","90","","1723.9","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl Cu N4 O -","- C19 H15 Cl Cu N4 O -","- C76 H60 Cl4 Cu4 N16 O4 -","4","1","","Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16242","16254","10.1039/c8dt03137a","","","0.71073","MoKα","","0.0478","0.0316","","","0.0624","0.068","","","","","","1.014","","","","has coordinates","229954","2020-10-21","18:00:00",""
"7047876","9.4219","0.0006","10.0037","0.0007","10.3783","0.0007","114.711","0.004","98.049","0.005","106.462","0.005","813.82","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Cu2 N8 O6 -","- C40 H26 Cu2 N8 O6 -","- C40 H26 Cu2 N8 O6 -","1","0.5","","Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16242","16254","10.1039/c8dt03137a","","","0.71073","MoKα","","0.0672","0.0445","","","0.1013","0.114","","","","","","1.032","","","","has coordinates","229954","2020-10-21","18:00:00",""
"7047877","8.5866","0.0007","8.9466","0.0007","12.3484","0.0008","85.996","0.006","73.744","0.006","75.759","0.007","882.7","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl Cu N4 O2 -","- C19 H17 Cl Cu N4 O2 -","- C38 H34 Cl2 Cu2 N8 O4 -","2","1","","Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.","Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16242","16254","10.1039/c8dt03137a","","","0.71073","MoKα","","0.0727","0.0587","","","0.1445","0.1641","","","","","","1.078","","","","has coordinates","229954","2020-10-21","18:00:00",""
"7047878","7.893","0.0002","16.179","0.0004","19.596","0.0007","90","","90","","90","","2502.43","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Cl2 Cu2 P3 -","- C18 H39 Cl2 Cu2 P3 -","- C72 H156 Cl8 Cu8 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0791","0.052","","","0.0919","0.1025","","","","","","1.036","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047879","10.16","0.0002","15.919","0.0004","14.156","0.0004","90","","91.038","0.001","90","","2289.17","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Br Cu P3 -","- C18 H39 Br Cu P3 -","- C72 H156 Br4 Cu4 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0521","0.0359","","","0.0668","0.0723","","","","","","1.027","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047880","8.5902","0.0001","15.6586","0.0003","32.0807","0.0005","90","","90","","90","","4315.19","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl2 Cu2 P3 -","- C15 H33 Cl2 Cu2 P3 -","- C120 H264 Cl16 Cu16 P24 -","8","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0727","0.0489","","","0.0983","0.109","","","","","","1.023","","","","has coordinates,has disorder","229955","2020-10-21","18:00:00",""
"7047881","13.448","0.0003","10.6233","0.0003","13.7607","0.0005","90","","92.123","0.003","90","","1964.53","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H33 Br Cu P3 -","- C15 H33 Br Cu P3 -","- C60 H132 Br4 Cu4 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","1.54184","CuKα","","0.0622","0.0584","","","0.1689","0.1713","","","","","","1.152","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047882","14.0792","0.0006","10.7291","0.0004","13.5869","0.0004","90","","90","","90","","2052.4","0.13","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H33 Cu I P3 -","- C15 H33 Cu I P3 -","- C60 H132 Cu4 I4 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0921","0.0507","","","0.0932","0.1106","","","","","","1.049","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047883","8.7892","0.0004","12.9061","0.0006","19.9507","0.0009","90","","90","","90","","2263.09","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H33 Br2 Cu2 P3 -","- C15 H33 Br2 Cu2 P3 -","- C60 H132 Br8 Cu8 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","1.54184","CuKα","","0.0361","0.0335","","","0.0891","0.0921","","","","","","1.05","","","","has coordinates,has disorder","229955","2020-10-21","18:00:00",""
"7047884","9.036","0.0003","16.175","0.0006","16.94","0.0006","90","","105.035","0.002","90","","2391.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 Cu I P3 -","- C18 H39 Cu I P3 -","- C72 H156 Cu4 I4 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.1241","0.0637","","","0.1203","0.1407","","","","","","1.032","","","","has coordinates,has disorder","229955","2020-10-21","18:00:00",""
"7047885","10.4693","0.0005","7.4863","0.0005","7.2867","0.0006","90","","92.411","0.005","90","","570.6","0.07","298","","300","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Manganese Cobalt Sodium Hexacyanoferrate(III) hydrate","","- C12 Co1.1 Fe2 Mn0.9 N12 Na4 O4 -","- C12 Co1.1 Fe2 Mn0.9 N12 Na4 O4 -","- C12 Co1.1 Fe2 Mn0.9 N12 Na4 O4 -","1","0.25","","Oliver-Tolentino, M; González M, M; Osiry, H.; Ramos-Sánchez, G; González, I","Electronic density distribution of Mn-N bonds by a tuning effect through partial replacement of Mn by Co or Ni in a sodium-rich hexacyanoferrate and its influence on the stability as a cathode for Na-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16492","16501","10.1039/c8dt03595d","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","10.697","1.538","","","","","","","has coordinates","229634","2020-10-21","18:00:00",""
"7047886","10.401","0.002","7.475","0.001","7.227","0.001","90","","91.664","0.009","90","","561.64","0.15","298","","300","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Manganese Nickel Sodium Hexacyanoferrate(III) hydrate","","- C12 Fe2 Mn N12 Na4 Ni O4 -","- C12 Fe2 Mn N12 Na4 Ni O4 -","- C12 Fe2 Mn N12 Na4 Ni O4 -","1","0.25","","Oliver-Tolentino, M; González M, M; Osiry, H.; Ramos-Sánchez, G; González, I","Electronic density distribution of Mn-N bonds by a tuning effect through partial replacement of Mn by Co or Ni in a sodium-rich hexacyanoferrate and its influence on the stability as a cathode for Na-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16492","16501","10.1039/c8dt03595d","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","5.942","1.466","","","","","","","has coordinates","229634","2020-10-21","18:00:00",""
"7047887","10.5726","0.0002","7.524","0.0003","7.32639","0.00003","90","","92.114","0.003","90","","582.4","0.03","298","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Manganese Sodium Hexacyanoferrate(III) hydrate","","- C6 Fe Mn N6 Na2 O2 -","- C6 Fe Mn N6 Na2 O2 -","- C12 Fe2 Mn2 N12 Na4 O4 -","2","0.5","","Oliver-Tolentino, M; González M, M; Osiry, H.; Ramos-Sánchez, G; González, I","Electronic density distribution of Mn-N bonds by a tuning effect through partial replacement of Mn by Co or Ni in a sodium-rich hexacyanoferrate and its influence on the stability as a cathode for Na-ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16492","16501","10.1039/c8dt03595d","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","6.966","1.667","","","","","","","has coordinates","229634","2020-10-21","18:00:00",""
"7047888","12.7551","0.0003","22.9462","0.0004","16.8432","0.0004","90","","110.074","0.002","90","","4630.21","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H110 Cl2 N14 Ni O28 -","- C86 H110 Cl2 N14 Ni O28 -","- C172 H220 Cl4 N28 Ni2 O56 -","2","0.5","","Woźny, Mateusz; Więckowska, Agnieszka; Trzybiński, Damian; Sutuła, Szymon; Domagała, Sławomir; Woźniak, Krzysztof","[3]rotaxanes composed of two dibenzo-24-crown-8 ether wheels and an azamacrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15845","15856","10.1039/c8dt03225d","","","0.71073","MoKα","","0.041","0.0318","","","0.0703","0.0748","","","","","","1.057","","","","has coordinates","229285","2020-10-21","18:00:00",""
"7047889","11.7523","0.0003","13.4144","0.0003","16.389","0.0004","76.0271","0.0019","89.369","0.002","81.8124","0.0019","2480.98","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C87.92 H118.26 F12 N12 Ni O30.89 P2 -","- C87.9156 H118.254 F12 N12 Ni O30.8876 P2 -","- C87.9156 H118.254 F12 N12 Ni O30.8876 P2 -","1","0.5","","Woźny, Mateusz; Więckowska, Agnieszka; Trzybiński, Damian; Sutuła, Szymon; Domagała, Sławomir; Woźniak, Krzysztof","[3]rotaxanes composed of two dibenzo-24-crown-8 ether wheels and an azamacrocyclic complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15845","15856","10.1039/c8dt03225d","","x-ray","1.54184","CuKα","","0.0467","0.0399","","","0.1071","0.113","","","","","","1.026","","","","has coordinates,has disorder","229285","2020-10-21","18:00:00",""
"7047890","12.509","0.0009","13.1454","0.0007","14.0524","0.0009","90","","98.914","0.005","90","","2282.8","0.3","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 I N2 Ni S2 -","- C20 H25 I N2 Ni S2 -","- C80 H100 I4 N8 Ni4 S8 -","4","1","","Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra","In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16944","16957","10.1039/c8dt03079k","","","1.34139","GaKα","","0.1777","0.0924","","","0.2394","0.3285","","","","","","1.058","","","","has coordinates","229695","2020-10-21","18:00:00",""
"7047891","12.5312","0.0003","12.19","0.0003","22.246","0.0006","90","","90","","90","","3398.2","0.15","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H19 I N2 Ni S2 -","- C16 H19 I N2 Ni S2 -","- C128 H152 I8 N16 Ni8 S16 -","8","1","","Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra","In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16944","16957","10.1039/c8dt03079k","","","1.34139","GaKα","","0.0492","0.0439","","","0.1153","0.1218","","","","","","1.054","","","","has coordinates","229695","2020-10-21","18:00:00",""
"7047892","9.0954","0.0012","10.4357","0.0013","11.0814","0.0014","64.612","0.004","89.389","0.006","87.803","0.006","949.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H23 I N2 Ni S2 -","- C18 H23 I N2 Ni S2 -","- C36 H46 I2 N4 Ni2 S4 -","2","1","","Hosseini-Kharat, Mahboubeh; Zargarian, Davit; Alizadeh, Ali Mohammad; Karami, Kazem; Saeidifar, Maryam; Khalighfard, Solmaz; Dubrulle, Laurent; Zakariazadeh, Mostafa; Cloutier, Jean-Philippe; Sohrabijam, Zahra","In vitro and in vivo antiproliferative activity of organo-nickel SCS-pincer complexes on estrogen responsive MCF7 and MC4L2 breast cancer cells. Effects of amine fragment substitutions on BSA binding and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16944","16957","10.1039/c8dt03079k","","","1.34139","GaKα","","0.0794","0.0666","","","0.1677","0.1811","","","","","","1.112","","","","has coordinates","229695","2020-10-21","18:00:00",""
"7047893","14.8246","0.0015","13.5546","0.0015","15.491","0.0016","90","","101.881","0.006","90","","3046.1","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C152 H144 N16 -","8","2","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0705","0.0454","","","0.1166","0.1272","","","","","","1.061","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047894","9.8624","0.0009","12.9884","0.0012","13.0264","0.0011","70.021","0.005","74.259","0.005","68.722","0.004","1440.5","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H44 N2 -","- C32 H44 N2 -","- C64 H88 N4 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0868","0.0501","","","0.1085","0.1189","","","","","","1.015","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047895","4.7922","0.0001","13.7718","0.0003","20.841","0.0006","90","","90","","90","","1375.45","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H9 F5 N2 -","- C17 H9 F5 N2 -","- C68 H36 F20 N8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0797","0.0503","","","0.1094","0.1181","","","","","","0.982","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047896","11.818","0.002","11.243","0.002","26.174","0.005","90","","92.984","0.01","90","","3473","1.1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C168 H176 N16 -","8","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0873","0.0516","","","0.1206","0.1308","","","","","","1.045","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047897","10.7581","0.0008","11.5604","0.0009","16.0156","0.0012","81.266","0.004","88.811","0.004","86.331","0.005","1964.6","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N4 O -","- C46 H54 N4 O -","- C92 H108 N8 O2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0899","0.05","","","0.1153","0.1285","","","","","","1.041","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047898","13.5296","0.0004","15.0823","0.0005","19.7874","0.0006","90","","90","","90","","4037.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H54 N4 O -","- C46 H54 N4 O -","- C184 H216 N16 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.051","0.0366","","","0.077","0.0816","","","","","","1.015","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047899","20.749","0.004","11.3247","0.0019","17.904","0.003","90","","93.833","0.008","90","","4197.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H43 F6 N2 Ni P -","- C49 H43 F6 N2 Ni P -","- C196 H172 F24 N8 Ni4 P4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.3232","0.117","","","0.2564","0.391","","","","","","0.951","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047900","13.74","0.02","8.779","0.015","22.72","0.04","90","","104.18","0.07","90","","2657","8","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N3 -","- C27 H29 N3 -","- C108 H116 N12 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.2302","0.0877","","","0.2178","0.2684","","","","","","0.866","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047901","11.6","0.003","11.6","0.003","23.772","0.006","90","","90","","90","","3198.8","1.4","150","2","150","2","","","","","","","","4","P 42/n","-P 4bc","86","","","","- C38 H34 N4 Ni -","- C38 H34 N4 Ni -","- C152 H136 N16 Ni4 -","4","","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.2082","0.0974","","","0.2898","0.3422","","","","","","0.996","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047902","10.1181","0.0008","13.5337","0.0009","19.3762","0.0016","108.714","0.003","94.968","0.003","106.611","0.003","2361.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H63 N2 Ni P -","- C56 H63 N2 Ni P -","- C112 H126 N4 Ni2 P2 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0816","0.0504","","","0.1115","0.1209","","","","","","1.001","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047903","11.4768","0.0008","14.1372","0.0011","23.436","0.0016","90","","93.967","0.003","90","","3793.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 N2 Ni P -","- C47 H45 N2 Ni P -","- C188 H180 N8 Ni4 P4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0524","0.0313","","","0.0671","0.0725","","","","","","1.026","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047904","13.1214","0.0007","8.8622","0.0004","31.0382","0.0015","90","","101.361","0.002","90","","3538.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 F5 N2 Ni P -","- C41 H28 F5 N2 Ni P -","- C164 H112 F20 N8 Ni4 P4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0863","0.0497","","","0.108","0.1175","","","","","","1.028","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047905","10.3715","0.0015","33.585","0.005","10.5727","0.0017","90","","94.572","0.001","90","","3671","1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H88 N4 Ni2 P2 -","- C92 H88 N4 Ni2 P2 -","- C184 H176 N8 Ni4 P4 -","2","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.2049","0.0861","","","0.172","0.2088","","","","","","0.91","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047906","40.613","0.004","11.4486","0.0012","18.1713","0.0018","90","","107.82","0.004","90","","8043.6","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H49 N2 Ni P -","- C49 H49 N2 Ni P -","- C392 H392 N16 Ni8 P8 -","8","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.092","0.0526","","","0.1101","0.119","","","","","","1.05","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047907","11.9364","0.0003","32.1736","0.0009","10.3382","0.0003","90","","108.603","0.001","90","","3762.81","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 N2 Ni P -","- C45 H41 N2 Ni P -","- C180 H164 N8 Ni4 P4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0528","0.0382","","","0.0923","0.0964","","","","","","1.043","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047908","14.9049","0.0004","8.066","0.0002","9.5902","0.0003","90","","90","","90","","1152.96","0.06","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 I3 N Pb -","- C5 H6 I3 N Pb -","- C20 H24 I12 N4 Pb4 -","4","0.5","","Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.","Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16313","16319","10.1039/c8dt03041c","","","0.71073","MoKα","","0.0337","0.0306","","","0.0717","0.0732","","","","","","1.136","","","","has coordinates,has disorder","229957","2020-10-21","18:00:00",""
"7047909","14.0045","0.0006","7.769","0.0004","9.178","0.0005","90","","90","","90","","998.58","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Br3 N Pb -","- C5 H6 Br3 N Pb -","- C20 H24 Br12 N4 Pb4 -","4","0.5","","Selivanov, N. I.; Murashkina, A. A.; Kevorkyants, R.; Emeline, A. V.; Bahnemann, D. W.","Pyridinium lead tribromide and pyridinium lead triiodide: quasi-one-dimensional perovskites with an optically active aromatic π-system.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16313","16319","10.1039/c8dt03041c","","","0.71073","MoKα","","0.0696","0.0579","","","0.135","0.142","","","","","","1.171","","","","has coordinates,has disorder","229957","2020-10-21","18:00:00",""
"7047910","11.1688","0.0003","12.1405","0.0003","6.0137","0.0002","90","","95.111","0.002","90","","812.18","0.04","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Co2 N17 -","- C10 H6 Co2 N17 -","- C20 H12 Co4 N34 -","2","0.25","","Zhang, Zu-Zhen; Lee, Gene-Hsiang; Yang, Chen-I","The use of a semi-flexible bipyrimidyl ligand for the construction of azide-based coordination polymers: structural diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16709","16722","10.1039/c8dt03928c","","","0.71073","MoKα","","0.0436","0.0305","","","0.0752","0.0799","","","","","","1.062","","","","has coordinates","229649","2020-10-21","18:00:00",""
"7047911","15.7824","0.0017","6.3744","0.0006","10.4133","0.001","90","","96.15","0.002","90","","1041.58","0.18","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Co N10 -","- C8 H6 Co N10 -","- C32 H24 Co4 N40 -","4","0.5","","Zhang, Zu-Zhen; Lee, Gene-Hsiang; Yang, Chen-I","The use of a semi-flexible bipyrimidyl ligand for the construction of azide-based coordination polymers: structural diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16709","16722","10.1039/c8dt03928c","","","0.71073","MoKα","","0.0218","0.0199","","","0.0517","0.0528","","","","","","1.046","","","","has coordinates","229649","2020-10-21","18:00:00",""
"7047912","7.912","0.004","10.297","0.006","10.861","0.006","106.636","0.007","90.289","0.008","100.046","0.008","833.4","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N30 Ni3 O2 -","- C24 H22 N30 Ni3 O2 -","- C24 H22 N30 Ni3 O2 -","1","0.5","","Zhang, Zu-Zhen; Lee, Gene-Hsiang; Yang, Chen-I","The use of a semi-flexible bipyrimidyl ligand for the construction of azide-based coordination polymers: structural diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16709","16722","10.1039/c8dt03928c","","","0.71073","MoKα","","0.0515","0.0396","","","0.1078","0.119","","","","","","1.098","","","","has coordinates","229649","2020-10-21","18:00:00",""
"7047913","14.6496","0.0011","7.5253","0.0006","20.2225","0.0015","90","","90","","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Mn N10 -","- C8 H6 Mn N10 -","- C64 H48 Mn8 N80 -","8","1","","Zhang, Zu-Zhen; Lee, Gene-Hsiang; Yang, Chen-I","The use of a semi-flexible bipyrimidyl ligand for the construction of azide-based coordination polymers: structural diversities and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16709","16722","10.1039/c8dt03928c","","","0.71073","MoKα","","0.044","0.0297","","","0.0646","0.0709","","","","","","1.029","","","","has coordinates","229649","2020-10-21","18:00:00",""
"7047914","11.3342","0.0004","15.8645","0.0006","21.0886","0.0008","77.217","0.001","76.317","0.001","81.23","0.001","3572.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H19 F12 Ir N6 O2 -","- C38 H19 F12 Ir N6 O2 -","- C152 H76 F48 Ir4 N24 O8 -","4","2","","Han, Hua-Bo; Wu, Zheng-Guang; Yan, Zhi-Ping; Zhao, Yue; Zheng, You-Xuan","Efficient green photoluminescence and electroluminescence of iridium complexes with high electron mobility.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16543","16550","10.1039/c8dt02961j","","","0.71073","MoKα","","0.0552","0.035","","","0.0698","0.0759","","","","","","1.026","","","","has coordinates","229628","2020-10-21","18:00:00",""
"7047915","10.1801","0.0005","10.4639","0.0005","19.0893","0.0009","77.968","0.001","81.762","0.001","65.341","0.001","1803.79","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H17 F12 Ir N8 O2 -","- C36 H17 F12 Ir N8 O2 -","- C72 H34 F24 Ir2 N16 O4 -","2","1","","Han, Hua-Bo; Wu, Zheng-Guang; Yan, Zhi-Ping; Zhao, Yue; Zheng, You-Xuan","Efficient green photoluminescence and electroluminescence of iridium complexes with high electron mobility.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16543","16550","10.1039/c8dt02961j","","","0.71073","MoKα","","0.0481","0.0381","","","0.1085","0.1358","","","","","","0.978","","","","has coordinates","229628","2020-10-21","18:00:00",""
"7047916","11.5322","0.0005","10.5191","0.0006","26.4134","0.0012","90","","100.875","0.003","90","","3146.6","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 Ir N3 O2 P -","- C36 H37 Ir N3 O2 P -","- C144 H148 Ir4 N12 O8 P4 -","4","1","","Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés","Hydroboration of carbon dioxide with catechol- and pinacolborane using an Ir-CNP* pincer complex. Water influence on the catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16766","16776","10.1039/c8dt03951h","","","0.71073","MoKα","","0.0904","0.046","","","0.0785","0.088","","","","","","0.959","","","","has coordinates,has disorder","229646","2020-10-21","18:00:00",""
"7047917","23.454","0.005","21.606","0.004","25.214","0.005","90","","103.396","0.003","90","","12429","4","175","2","175","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H60 Cu4 Mn Mo6 N6 O34 -","- C74 H60 Cu4 Mn Mo6 N6 O34 -","- C296 H240 Cu16 Mn4 Mo24 N24 O136 -","4","0.5","","Li, Xin-Xiong; Deng, Chu-Chu; Zhao, Dan; Yu, Hao; Zeng, Qing-Xin; Zheng, Shou-Tian","Composite cluster-organic frameworks based on polyoxometalates and copper/cobalt-oxygen clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16408","16412","10.1039/c8dt03401j","","","0.71073","MoKα","","0.1104","0.069","","","0.1799","0.1974","","","","","","1.01","","","","has coordinates","229643","2020-10-21","18:00:00",""
"7047918","26.3211","0.0011","22.8123","0.001","35.4863","0.0014","90","","105.266","0.004","90","","20555.7","1.5","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H80 Co5 Mn Mo6 N8 O38 -","- C102 H80 Co5 Mn Mo6 N8 O38 -","- C408 H320 Co20 Mn4 Mo24 N32 O152 -","4","1","","Li, Xin-Xiong; Deng, Chu-Chu; Zhao, Dan; Yu, Hao; Zeng, Qing-Xin; Zheng, Shou-Tian","Composite cluster-organic frameworks based on polyoxometalates and copper/cobalt-oxygen clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16408","16412","10.1039/c8dt03401j","","","0.71073","MoKα","","0.1634","0.0833","","","0.2047","0.2262","","","","","","0.897","","","","has coordinates,has disorder","229643","2020-10-21","18:00:00",""
"7047919","13.8211","0.0008","13.8211","0.0008","41.437","0.002","90","","90","","90","","7915.4","0.8","298","2","298","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C7.5 H13.5 Cu N O4.5 -","- C7.5 H13.5 Cu N O4.5 -","- C240 H432 Cu32 N32 O144 -","32","","","Fernandes, Tiago; Kirillova, Marina; André, Vânia; Kirillov, Alexander M.","Interplay between H-bonding and interpenetration in aqueous copper(II)−aminoalcohol−pyromellitic acid system: Self-assembly synthesis, structural features and catalysis","Dalton Transactions","2018","","","","","10.1039/C8DT02983K","","","0.71073","MoKα","","0.0686","0.0325","","","0.0702","0.082","","","","","","1.048","","","","has coordinates","211715","2020-10-21","18:00:00",""
"7047920","8.7444","0.0017","10.4904","0.0017","11.452","0.003","102.033","0.007","91.299","0.012","100.042","0.009","1009.8","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 Cu2 N4 O16 -","- C30 H54 Cu2 N4 O16 -","- C30 H54 Cu2 N4 O16 -","1","0.5","","Fernandes, Tiago; Kirillova, Marina; André, Vânia; Kirillov, Alexander M.","Interplay between H-bonding and interpenetration in aqueous copper(II)−aminoalcohol−pyromellitic acid system: Self-assembly synthesis, structural features and catalysis","Dalton Transactions","2018","","","","","10.1039/C8DT02983K","","","0.71073","MoKα","","0.0521","0.037","","","0.0917","0.1059","","","","","","1.049","","","","has coordinates,has disorder","211715","2020-10-21","18:00:00",""
"7047921","10.4074","0.0005","12.8993","0.0006","15.6284","0.0007","110.988","0.001","106.237","0.002","92.198","0.002","1858.17","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tris-2-pyridyl methane-tris-ortho-tolylphosphino copper(I) hexafluorophosphate salt","[Cu(tpym)(P(o-tol)3]PF6","","- C37.5 H35 Cl Cu F6 N3 P2 -","- C37.5 H35 Cl Cu F6 N3 P2 -","- C75 H70 Cl2 Cu2 F12 N6 P4 -","2","1","","Schinabeck, Alexander; Rau, Nicholas; Klein, Marius; Sundermeyer, Jörg; Yersin, Hartmut","Deep blue emitting Cu(i) tripod complexes. Design of high quantum yield materials showing TADF-assisted phosphorescence.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17067","17076","10.1039/c8dt04093a","","","0.71073","MoKα","","0.082","0.0574","","","0.1398","0.1518","","","","","","1.044","","","","has coordinates,has disorder","229676","2020-10-21","18:00:00",""
"7047922","7.7155","0.0002","10.5198","0.0002","16.7965","0.0004","90","","100.985","0.001","90","","1338.32","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 K N10 O9 -","- C5 H5 K N10 O9 -","- C20 H20 K4 N40 O36 -","4","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16558","16566","10.1039/c8dt03616k","","","0.71073","MoKα","","0.0414","0.0303","","","0.0775","0.0834","","","","","","1.03","","","","has coordinates,has disorder","229644","2020-10-21","18:00:00",""
"7047923","7.2945","0.0015","7.6721","0.0016","12.581","0.003","95.648","0.008","95.017","0.008","117.937","0.008","611.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 K2 N8 O9 -","- C5 K2 N8 O9 -","- C10 K4 N16 O18 -","2","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16558","16566","10.1039/c8dt03616k","","","1.54178","CuKα","","0.0353","0.0297","","","0.0782","0.0794","","","","","","1.033","","","","has coordinates","229644","2020-10-21","18:00:00",""
"7047924","7.122","0.0007","7.5186","0.0009","12.6185","0.0017","76.121","0.006","74.829","0.006","67.346","0.005","594.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N12 O5 -","- C5 H8 N12 O5 -","- C10 H16 N24 O10 -","2","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16558","16566","10.1039/c8dt03616k","","","0.71073","MoKα","","0.0917","0.0437","","","0.0928","0.1124","","","","","","1.001","","","","has coordinates","229644","2020-10-21","18:00:00",""
"7047925","7.456","0.0003","8.5912","0.0003","9.9008","0.0004","73.599","0.002","83.431","0.002","65.465","0.002","553.46","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N10 O6 -","- C4 H8 N10 O6 -","- C8 H16 N20 O12 -","2","1","","Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16558","16566","10.1039/c8dt03616k","","","1.54178","CuKα","","0.0422","0.0381","","","0.1015","0.1096","","","","","","1.111","","","","has coordinates","229644","2020-10-21","18:00:00",""
"7047926","11.656","0.01","6.647","0.006","22.485","0.019","90","","102.93","0.02","90","","1698","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 Ba3 Br2 O17 -","- B10 Ba3 Br2 O17 -","- B40 Ba12 Br8 O68 -","4","0.5","","Han, S. J.; Wu, H. P.; Li, H.; Yang, Z. H.; Pan, S. L.; Yu, H. H.","Ba<sub>3</sub>B<sub>10</sub>O<sub>17</sub>Br<sub>2</sub>: a new barium borate halide with B-O layered structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16418","16421","10.1039/c8dt04052d","","","0.71073","MoKα","","0.0373","0.0296","","","0.0688","0.0732","","","","","","1.093","","","","has coordinates","229632","2020-10-21","18:00:00",""
"7047927","13.913","0.003","15.805","0.004","9.095","0.002","90","","90","","90","","1999.9","0.8","93","","93","","","","","","","","","9","P m m n","-P 2ab 2a","59","","","","- C31 H41 Br2 Cl F12 N6 O1.5 P2 Ru2 -","- C31 H38 Br2 Cl F12 N6 O1.5 P2 Ru2 -","- C62 H76 Br4 Cl2 F24 N12 O3 P4 Ru4 -","2","","","Misawa-Suzuki, T.; Matsuya, K.; Watanabe, T.; Nagao, H.","Triply bridged dinuclear ruthenium complexes bearing alkylbis(2-pyridylmethyl)amine in the mixed-valence state of Ru(ii)‒Ru(iii)","Dalton Transactions","2018","","","","","10.1039/C8DT03507E","","","0.71075","MoKα","","0.0304","0.03","","","0.07","0.0702","","","","","","1.093","","","","has coordinates","211734","2020-10-21","18:00:00",""
"7047928","12.479","0.011","26.9","0.02","13.186","0.012","90","","118.459","0.012","90","","3891","6","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cl3 F12 N6 O P2 Ru2 -","- C30 H34 Cl3 F12 N6 O P2 Ru2 -","- C120 H136 Cl12 F48 N24 O4 P8 Ru8 -","4","1","","Misawa-Suzuki, T.; Matsuya, K.; Watanabe, T.; Nagao, H.","Triply bridged dinuclear ruthenium complexes bearing alkylbis(2-pyridylmethyl)amine in the mixed-valence state of Ru(ii)‒Ru(iii)","Dalton Transactions","2018","","","","","10.1039/C8DT03507E","","","0.71075","MoKα","","0.0581","0.0529","","","0.1242","0.1291","","","","","","1.085","","","","has coordinates","211734","2020-10-21","18:00:00",""
"7047929","12.85","0.0007","18.1669","0.0008","16.6491","0.0009","90","","90","","90","","3886.6","0.3","93","","93","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C30 H42 Br F12 N6 O3 P2 Ru2 -","- C30 H40 Br F12 N6 O3 P2 Ru2 -","- C120 H160 Br4 F48 N24 O12 P8 Ru8 -","4","0.5","","Misawa-Suzuki, T.; Matsuya, K.; Watanabe, T.; Nagao, H.","Triply bridged dinuclear ruthenium complexes bearing alkylbis(2-pyridylmethyl)amine in the mixed-valence state of Ru(ii)‒Ru(iii)","Dalton Transactions","2018","","","","","10.1039/C8DT03507E","","","0.7107","MoKα","","0.0463","0.0459","","","0.1089","0.1092","","","","","","1.104","","","","has coordinates","211734","2020-10-21","18:00:00",""
"7047930","14.1966","0.0009","8.5378","0.0008","11.9968","0.0016","90","","90","","90","","1454.1","0.3","100","2","99.98","0.11","","","","","","","","5","P n n 2","P 2 -2n","34","","Ammonium tetrakis[4-(dihydroxyboryl)phenyl]borate","","- C24 H35 B5 N O12 -","- C24 H35 B5 N O12 -","- C48 H70 B10 N2 O24 -","2","0.5","","Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16627","16637","10.1039/c8dt04068k","","x-ray","1.54184","CuKα","","0.0778","0.0684","","","0.1975","0.2076","","","","","","1.072","","","","has coordinates","229650","2020-10-21","18:00:00",""
"7047931","17.56","0.003","22.0645","0.0018","16.8909","0.0018","90","","114.517","0.015","90","","5954.4","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Lithium tetrakis[4-(N-tert-butylcarbamoyl)phenyl]borate","","- C53 H74 B Li N4 O7.5 -","- C53 H74 B Li N4 O7.5 -","- C212 H296 B4 Li4 N16 O30 -","4","1","","Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16627","16637","10.1039/c8dt04068k","","x-ray","1.54184","CuKα","","0.1956","0.1089","","","0.2856","0.3516","","","","","","1.06","","","","has coordinates,has disorder","229650","2020-10-21","18:00:00",""
"7047932","15.1982","0.0011","17.4686","0.0005","17.705","0.002","90","","101.258","0.014","90","","4610.1","0.7","100","2","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Lithium tetrakis(3-carboxyphenyl)borate","","- C37 H37 B Li O10.5 -","- C37 H37.002 B Li O10.5 -","- C148 H148.008 B4 Li4 O42 -","4","1","","Tomaszewski, Patryk; Wiszniewski, Marcin; Serwatowski, Janusz; Woźniak, Krzysztof; Durka, Krzysztof; Luliński, Sergiusz","Synthesis of tetraarylborates via tetralithio intermediates and the effect of polar functional groups and cations on their crystal structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16627","16637","10.1039/c8dt04068k","","x-ray","1.54184","CuKα","","0.1653","0.1392","","","0.39","0.4246","","","","","","1.754","","","","has coordinates,has disorder","229650","2020-10-21","18:00:00",""
"7047933","25.79","0.0018","12.2532","0.0009","18.9008","0.0013","90","","99.779","0.001","90","","5886.1","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd-TCAA","Cd-TCAA","","- C31 H16 Cd1.5 N3 O8.5 -","- C31 H16 Cd1.5 N3 O8.5 -","- C248 H128 Cd12 N24 O68 -","8","1","","Xia, Lingling; Ni, Jiawen; Wu, Pengyan; Ma, Ju; Bao, Liang; Shi, Yanhui; Wang, Jian","Photoactive metal-organic framework as a bifunctional material for 4-hydroxy-4'-nitrobiphenyl detection and photodegradation of methylene blue.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16551","16557","10.1039/c8dt03278e","","","0.71073","MoKα","","0.0518","0.0415","","","0.1216","0.1269","","","","","","1.118","","","","has coordinates","229641","2020-10-21","18:00:00",""
"7047934","18.3047","0.0006","18.3047","0.0006","37.9711","0.0015","90","","90","","120","","11018.2","0.7","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C78 H85 Cd3 N13 O25 -","- C75 H66 Cd3 N12 O18 -","- C300 H264 Cd12 N48 O72 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71073","MoKα","","0.0897","0.0578","","","0.1583","0.1737","","","","","","0.974","","","","has coordinates","229956","2020-10-21","18:00:00",""
"7047935","19.456","0.0011","19.456","0.0011","37.381","0.003","90","","90","","120","","12254.3","1.4","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C84 H95 N15 O28 Zn3 -","- C75 H63 N12 O21 Zn3 -","- C300 H252 N48 O84 Zn12 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71073","MoKα","","0.1137","0.0763","","","0.2162","0.2403","","","","","","0.957","","","","has coordinates,has disorder","229956","2020-10-21","18:00:00",""
"7047936","18.113","0.0005","18.113","0.0005","39.272","0.0015","90","","90","","120","","11158.2","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C81 H78 Cd3 N12 O18 -","- C81 H78 Cd3 N12 O18 -","- C324 H312 Cd12 N48 O72 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71069","MoKα","","0.0954","0.0687","","","0.1809","0.2037","","","","","","1.093","","","","has coordinates","229956","2020-10-21","18:00:00",""
"7047937","9.4044","0.0003","13.4377","0.0005","16.6972","0.0006","71.404","0.001","86.031","0.001","77.443","0.001","1952.08","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Gd N9 O11 -","- C36 H40 Gd N9 O11 -","- C72 H80 Gd2 N18 O22 -","2","1","","Borisova, Nataliya E.; Sumyanova, Tsagana B.; Kharcheva, Anastasia V.; Matveev, Petr I.; Ivanov, Alexey V.; Razumova, Elizaveta A.; Patsaeva, Svetlana V.","The lanthanide complexes of 2,2'-bipyridyl-6,6'-dicarboxylic dimethylanilides: the influence of a secondary coordination sphere on the stability, structure, luminescence and f-element extraction.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16755","16765","10.1039/c8dt03734e","","","0.71073","MoKα","","0.0234","0.0204","","","0.048","0.0492","","","","","","1.015","","","","has coordinates","229645","2020-10-21","18:00:00",""
"7047938","47.88","0.004","8.6436","0.0007","17.1229","0.0013","90","","101.877","0.002","90","","6934.7","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Eu N7 O11 -","- C32 H34 Eu N7 O11 -","- C256 H272 Eu8 N56 O88 -","8","1","","Borisova, Nataliya E.; Sumyanova, Tsagana B.; Kharcheva, Anastasia V.; Matveev, Petr I.; Ivanov, Alexey V.; Razumova, Elizaveta A.; Patsaeva, Svetlana V.","The lanthanide complexes of 2,2'-bipyridyl-6,6'-dicarboxylic dimethylanilides: the influence of a secondary coordination sphere on the stability, structure, luminescence and f-element extraction.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16755","16765","10.1039/c8dt03734e","","","0.71073","MoKα","","0.0952","0.0543","","","0.122","0.1414","","","","","","1.062","","","","has coordinates,has disorder","229645","2020-10-21","18:00:00",""
"7047939","48.332","0.009","8.6695","0.0016","16.778","0.003","90","","101.483","0.005","90","","6890","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N7 O11 Tb -","- C32 H34 N7 O11 Tb -","- C256 H272 N56 O88 Tb8 -","8","1","","Borisova, Nataliya E.; Sumyanova, Tsagana B.; Kharcheva, Anastasia V.; Matveev, Petr I.; Ivanov, Alexey V.; Razumova, Elizaveta A.; Patsaeva, Svetlana V.","The lanthanide complexes of 2,2'-bipyridyl-6,6'-dicarboxylic dimethylanilides: the influence of a secondary coordination sphere on the stability, structure, luminescence and f-element extraction.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16755","16765","10.1039/c8dt03734e","","","0.71073","MoKα","","0.1053","0.0599","","","0.1318","0.1558","","","","","","1.007","","","","has coordinates,has disorder","229645","2020-10-21","18:00:00",""
"7047940","26.0636","0.0018","8.1361","0.0006","16.2987","0.0011","90","","93.831","0.002","90","","3448.5","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Dy N7 O11 -","- C32 H34 Dy N7 O11 -","- C128 H136 Dy4 N28 O44 -","4","1","","Borisova, Nataliya E.; Sumyanova, Tsagana B.; Kharcheva, Anastasia V.; Matveev, Petr I.; Ivanov, Alexey V.; Razumova, Elizaveta A.; Patsaeva, Svetlana V.","The lanthanide complexes of 2,2'-bipyridyl-6,6'-dicarboxylic dimethylanilides: the influence of a secondary coordination sphere on the stability, structure, luminescence and f-element extraction.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16755","16765","10.1039/c8dt03734e","","","0.71073","MoKα","","0.0637","0.04","","","0.0718","0.0804","","","","","","0.999","","","","has coordinates","229645","2020-10-21","18:00:00",""
"7047941","48.3072","0.0008","8.4925","0.0001","16.9413","0.0003","90","","98.815","0.001","90","","6868.06","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 Dy N7 O11 -","- C32 H34 Dy N7 O11 -","- C256 H272 Dy8 N56 O88 -","8","1","","Borisova, Nataliya E.; Sumyanova, Tsagana B.; Kharcheva, Anastasia V.; Matveev, Petr I.; Ivanov, Alexey V.; Razumova, Elizaveta A.; Patsaeva, Svetlana V.","The lanthanide complexes of 2,2'-bipyridyl-6,6'-dicarboxylic dimethylanilides: the influence of a secondary coordination sphere on the stability, structure, luminescence and f-element extraction.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16755","16765","10.1039/c8dt03734e","","","1.54178","CuKα","","0.0351","0.0325","","","0.081","0.0829","","","","","","1.03","","","","has coordinates,has disorder","229645","2020-10-21","18:00:00",""
"7047943","9.2541","0.0004","13.9651","0.0006","17.909","0.0009","90","","90","","90","","2314.46","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-azonia-spiro[4,4]nonane tetrabromomanganese","","- C16 H32 Br4 Mn N2 -","- C16 H32 Br4 Mn N2 -","- C64 H128 Br16 Mn4 N8 -","4","1","","Xu, Li; Gao, Ji-Xing; Chen, Xiao-Gang; Hua, Xiu-Ni; Liao, Wei-Qiang","A temperature-triggered triplex bistable switch in a hybrid multifunctional material: [(CH<sub>2</sub>)<sub>4</sub>N(CH<sub>2</sub>)<sub>4</sub>]<sub>2</sub>[MnBr<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16995","17003","10.1039/c8dt03456g","","","0.71073","MoKα","","0.0815","0.0509","","","0.1167","0.1243","","","","","","1.02","","","","has coordinates","229680","2020-10-21","18:00:00",""
"7047944","22.556","0.005","12.003","0.002","16.456","0.003","90","","90","","90","","4455.3","1.5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C52 H58 Co N6 O2 -","- C52 H58 Co N6 O2 -","- C208 H232 Co4 N24 O8 -","4","1","","Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi","Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism","Dalton Transactions","2018","","","","","10.1039/C8DT03257B","","","0.71073","MoKα","","0.0619","0.0491","","","0.1056","0.1143","","","","","","1.023","","","","has coordinates,has disorder","211772","2020-10-21","18:00:00",""
"7047945","22.6297","0.0014","14.1505","0.0009","17.512","0.0011","90","","90","","90","","5607.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C64 H71 Co2 N7 O2 -","- C64 H71 Co2 N7 O2 -","- C256 H284 Co8 N28 O8 -","4","1","","Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi","Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism","Dalton Transactions","2018","","","","","10.1039/C8DT03257B","","","0.71073","MoKα","","0.0636","0.0484","","","0.1049","0.1125","","","","","","0.987","","","","has coordinates,has disorder","211772","2020-10-21","18:00:00",""
"7047946","31.315","0.003","31.315","0.003","29.732","0.005","90","","90","","120","","25250","5","100","2","100","2","","","","","","","","7","R 3 c","R 3 -2""c","161","","","","- C52 H58 Co F6 N6 O2 P -","- C52 H58 Co F5.99999 N6 O2 P -","- C936 H1044 Co18 F108 N108 O36 P18.0001 -","18","","","Rajput, Amit; Sharma, Anuj K.; Barman, Suman K.; Lloret, Francesc; Mukherjee, Rabi","Six-coordinate [CoIII(L)2]z (z = 1‒, 0, 1+) complexes of an azo-appended o-aminophenolate in amidate(2‒) and iminosemiquinonate π-radical (1‒) redox-levels: existence of valence-tautomerism","Dalton Transactions","2018","","","","","10.1039/C8DT03257B","","","0.71073","MoKα","","0.1038","0.0786","","","0.1985","0.2197","","","","","","1.0419","","","","has coordinates,has disorder","211772","2020-10-21","18:00:00",""
"7047947","8.47444","0.00006","13.56258","0.00009","8.57401","0.00006","90","","90","","90","","985.456","0.012","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B4 H20 N2 Sr -","- B4 H20 N2 Sr -","- B16 H80 N8 Sr4 -","4","0.5","","Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.","Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16737","16746","10.1039/c8dt03654c","powder diffraction","","0.69449","Synchrotron","","","","","","","","","2.2128","","","","","","","","has coordinates","229630","2020-10-21","18:00:00",""
"7047948","8.59299","0.0001","13.68873","0.00015","8.50066","0.0001","90","","90","","90","","999.91","0.02","344","","344","","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- B4 H20 N2 Sr -","- B4 H20 N2 Sr -","- B16 H80 N8 Sr4 -","4","0.5","","Jørgensen, Mathias; Lee, Young-Su; Bjerring, Morten; Jepsen, Lars H.; Akbey, Ümit; Cho, Young Whan; Jensen, Torben R.","Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH<sub>4</sub>)<sub>2</sub>(NH<sub>3</sub>BH<sub>3</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16737","16746","10.1039/c8dt03654c","powder diffraction","","0.69449","Synchrotron","","","","","","","","","3.6651","","","","","","","","has coordinates","229630","2020-10-21","18:00:00",""
"7047949","14.5831","0.0005","14.0002","0.0006","17.5535","0.0008","90","","111.277","0.001","90","","3339.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B K O6 -","- C36 H44 B K O6 -","- C144 H176 B4 K4 O24 -","4","1","","Yuan, Guo-Jun; Shao, Dong-Sheng; Yao, Zhi-Yuan; Liu, Wen-Long; Ren, Xiao-Ming","An organometallic half-sandwich supramolecular complex {K(18-Crown-6)(η<sup>n</sup>-C<sub>6</sub>H<sub>5</sub>B(C<sub>6</sub>H<sub>5</sub>)<sub>3</sub>)} (n = 1-6) exhibiting a reversible breaking-symmetry phase transition and switchable dielectric behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16835","16839","10.1039/c8dt04060e","","","0.71073","MoKα","","0.0884","0.0526","","","0.1377","0.164","","","","","","1.033","","","","has coordinates,has disorder","229685","2020-10-21","18:00:00",""
"7047950","14.6855","0.001","14.1873","0.0012","17.7565","0.0015","90","","111.078","0.002","90","","3452","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 B K O6 -","- C36 H44 B K O6 -","- C144 H176 B4 K4 O24 -","4","1","","Yuan, Guo-Jun; Shao, Dong-Sheng; Yao, Zhi-Yuan; Liu, Wen-Long; Ren, Xiao-Ming","An organometallic half-sandwich supramolecular complex {K(18-Crown-6)(η<sup>n</sup>-C<sub>6</sub>H<sub>5</sub>B(C<sub>6</sub>H<sub>5</sub>)<sub>3</sub>)} (n = 1-6) exhibiting a reversible breaking-symmetry phase transition and switchable dielectric behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16835","16839","10.1039/c8dt04060e","","","0.71073","MoKα","","0.1501","0.0698","","","0.1807","0.2259","","","","","","1.014","","","","has coordinates,has disorder","229685","2020-10-21","18:00:00",""
"7047951","26.2242","0.0009","14.1111","0.0005","18.0007","0.0007","90","","101.268","0.001","90","","6532.8","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B K O6 -","- C36 H44 B K O6 -","- C288 H352 B8 K8 O48 -","8","2","","Yuan, Guo-Jun; Shao, Dong-Sheng; Yao, Zhi-Yuan; Liu, Wen-Long; Ren, Xiao-Ming","An organometallic half-sandwich supramolecular complex {K(18-Crown-6)(η<sup>n</sup>-C<sub>6</sub>H<sub>5</sub>B(C<sub>6</sub>H<sub>5</sub>)<sub>3</sub>)} (n = 1-6) exhibiting a reversible breaking-symmetry phase transition and switchable dielectric behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16835","16839","10.1039/c8dt04060e","","","0.71073","MoKα","","0.0879","0.0677","","","0.1541","0.1628","","","","","","1.146","","","","has coordinates","229685","2020-10-21","18:00:00",""
"7047952","15.44","0.005","15.44","0.005","26.265","0.005","90","0.005","90","0.005","90","0.005","6261","3","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C21 H11 Co0.5 Cu0.58 N3 O10.25 -","- C21 H13 Co0.5 Cu0.576 N3 O10.25 -","- C168 H104 Co4 Cu4.608 N24 O82 -","8","0.5","","Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev","Copper based coordination polymers based on metalloligands: utilization as heterogeneous oxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16985","16994","10.1039/c8dt03836h","","","0.71073","MoKα","","0.0759","0.069","","","0.2044","0.2086","","","","","","1.128","","","","has coordinates","229693","2020-10-21","18:00:00",""
"7047953","9.3461","0.0003","9.3461","0.0003","32.8191","0.0012","90","","90","","90","","2866.73","0.17","173","2","173","2","","","101.3","","","","synthesis","7","P 41 21 2","P 4abw 2nw","92","work","","","- C20 H30 F6 Mn N6 O6 S2 -","- C20 H30 F6 Mn N6 O6 S2 -","- C80 H120 F24 Mn4 N24 O24 S8 -","4","0.5","","Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J.","Catalytic oxidation of alcohols with novel non-heme N<sub>4</sub>-tetradentate manganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16534","16542","10.1039/c8dt03808b","","x-ray","0.71073","MoKα","","0.0645","0.0561","","","0.1523","0.1646","","","","","","1.078","","","","has coordinates","229652","2020-10-21","18:00:00",""
"7047954","9.348","0.002","9.348","0.002","32.8311","0.0015","90","","90","","90","","2868.9","0.9","293","2","293","2","","","101.3","","","","synthesis","7","P 43 21 2","P 4nw 2abw","96","S,S-C4","","","- C20 H30 F6 Mn N6 O6 S2 -","- C20 H30 F6 Mn N6 O6 S2 -","- C80 H120 F24 Mn4 N24 O24 S8 -","4","0.5","","Vermaak, Vincent; Young, Desmond A.; Swarts, Andrew J.","Catalytic oxidation of alcohols with novel non-heme N<sub>4</sub>-tetradentate manganese(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16534","16542","10.1039/c8dt03808b","","x-ray","0.71075","MoKα","","0.0761","0.0555","","","0.138","0.1573","","","","","","1.056","","","","has coordinates","229652","2020-10-21","18:00:00",""
"7047959","15.0823","0.0015","22.183","0.002","7.363","0.0008","90","","94.243","0.002","90","","2456.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 Ge N4 O4 -","- C54 H64 Ge N4 O4 -","- C108 H128 Ge2 N8 O8 -","2","0.5","","Nikolaevskaya, Elena N.; Saverina, Evgeniya A.; Starikova, Alyona A.; Farhati, Amel; Kiskin, Mikhail A.; Syroeshkin, Mikhail A.; Egorov, Mikhail P.; Jouikov, Viatcheslav V.","Halogen-free GeO<sub>2</sub> conversion: electrochemical reduction vs. complexation in (DTBC)<sub>2</sub>Ge[Py(CN)<sub>n</sub>] (n = 0…2) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17127","17133","10.1039/c8dt03397h","","","0.71073","MoKα","","0.101","0.0513","","","0.1246","0.1605","","","","","","1.012","","","","has coordinates,has disorder","229692","2020-10-21","18:00:00",""
"7047960","17.337","0.001","16.5488","0.0008","10.692","0.005","90","","104.976","0.005","90","","2963.4","1.4","350","2","350","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.0898","0.0553","","","0.1504","0.1839","","","","","","0.806","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7047961","17.1725","0.0004","16.0377","0.0004","10.683","0.0003","90","","106.691","0.003","90","","2818.22","0.13","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 B2 F8 Fe N10 O4 -","- C24 H18 B2 F8 Fe N10 O4 -","- C96 H72 B8 F32 Fe4 N40 O16 -","4","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.71073","MoKα","","0.0433","0.0347","","","0.0839","0.0886","","","","","","1.046","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047962","15.1365","0.0003","21.8413","0.0004","22.3085","0.0004","90","","90","","90","","7375.2","0.2","300","2","300","0.1","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C55 H42 F12 Fe2 N20 O21 S4 -","- C55 H42 F12 Fe2 N20 O21 S4 -","- C220 H168 F48 Fe8 N80 O84 S16 -","4","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.0688","0.0501","","","0.1491","0.1654","","","","","","1.069","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047963","23.6034","0.0015","23.6034","0.0015","14.9526","0.0017","90","","90","","90","","8330.4","1.2","300","2","299.9","0.3","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C27 H24 F12 Fe N10 O5 Sb2 -","- C27 H24 F12 Fe N10 O5 Sb2 -","- C216 H192 F96 Fe8 N80 O40 Sb16 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","x-ray","0.71073","MoKα","","0.1756","0.0679","","","0.1328","0.1825","","","","","","0.957","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047964","23.3533","0.0003","23.3533","0.0003","14.3811","0.0003","90","","90","","90","","7843.1","0.2","120","2","120.05","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C30 H30 As2 F12 Fe N10 O6 -","- C30 H30 As2 F12 Fe N10 O6 -","- C240 H240 As16 F96 Fe8 N80 O48 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.0536","0.0391","","","0.0771","0.0854","","","","","","1.046","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047965","23.4653","0.0002","23.4653","0.0002","14.6485","0.0003","90","","90","","90","","8065.76","0.19","120","2","120","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C30 H30 F12 Fe N10 O6 Sb2 -","- C30 H30 F12 Fe N10 O6 Sb2 -","- C240 H240 F96 Fe8 N80 O48 Sb16 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.037","0.0315","","","0.0727","0.0773","","","","","","1.114","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047966","14.8997","0.0004","21.7329","0.0005","22.2566","0.0004","90","","90","","90","","7207","0.3","120","2","120","0.1","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C29 H24 F6 Fe N10 O11 S2 -","- C29 H24 F6 Fe N10 O11 S2 -","- C232 H192 F48 Fe8 N80 O88 S16 -","8","1","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.095","0.0513","","","0.0878","0.1032","","","","","","1.029","","","","has coordinates","229682","2020-10-21","18:00:00",""
"7047967","23.4197","0.0009","23.4197","0.0009","14.6422","0.0008","90","","90","","90","","8031","0.6","300","2","300","0.1","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C27 H24 As2 F12 Fe N10 O5 -","- C27 H24 As2 F12 Fe N10 O5 -","- C216 H192 As16 F96 Fe8 N80 O40 -","8","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.139","0.0609","","","0.1421","0.1845","","","","","","0.962","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7047968","17.574","0.003","16.554","0.002","10.8254","0.0015","90","","104.686","0.015","90","","3046.4","0.8","400","0.1","400","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Fe N10 O12 -","- C24 H18 Cl2 Fe N10 O12 -","- C96 H72 Cl8 Fe4 N40 O48 -","4","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.7107","MoKα","","0.1481","0.0702","","","0.1936","0.2628","","","","","","0.846","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7047969","8.4649","0.0003","21.2806","0.0005","23.1689","0.0008","110.978","0.003","95.65","0.003","91.629","0.003","3868.9","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C65 H70 Cl4 Fe2 N20 O27 -","- C65 H70 Cl4 Fe2 N20 O27 -","- C130 H140 Cl8 Fe4 N40 O54 -","2","1","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","x-ray","0.71073","MoKα","","0.1555","0.0682","","","0.1499","0.2041","","","","","","1.036","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7047970","8.5561","0.0004","21.3922","0.0009","23.5484","0.0011","69.009","0.004","83.33","0.004","89.892","0.004","3993.2","0.3","300","0.1","300","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C121 H126 Cl8 Fe4 N40 O51 -","- C121 H126 Cl8 Fe4 N40 O51 -","- C121 H126 Cl8 Fe4 N40 O51 -","1","0.5","","García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio","Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16958","16968","10.1039/c8dt03511c","","","0.71073","MoKα","","0.225","0.1136","","","0.3075","0.4051","","","","","","1.062","","","","has coordinates,has disorder","229682","2020-10-21","18:00:00",""
"7047971","37.194","0.002","8.2421","0.0004","15.7504","0.0009","90","","113.193","0.004","90","","4438.2","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H29 N P2 -","- C24 H29 N P2 -","- C192 H232 N8 P16 -","8","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1032","0.077","","","0.2279","0.2517","","","","","","1.138","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047972","12.3408","0.0008","14.1744","0.0008","14.1341","0.001","90","","107.363","0.005","90","","2359.7","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 N2 P2 -","- C22 H42 N2 P2 -","- C88 H168 N8 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1381","0.0682","","","0.1281","0.1576","","","","","","1.02","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047973","9.3641","0.0018","10.299","0.002","12.778","0.003","91.018","0.017","95.368","0.016","105.102","0.016","1183.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 N2 P2 -","- C24 H38 N2 P2 -","- C48 H76 N4 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0442","0.0371","","","0.0977","0.1026","","","","","","1.036","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047974","15.252","0.003","10.681","0.002","43.197","0.009","90","","90","","90","","7037","2","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H46 N2 P2 -","- C20 H46 N2 P2 -","- C240 H552 N24 P24 -","12","3","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1417","0.0615","","","0.1071","0.1349","","","","","","0.921","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047975","9.1194","0.0005","10.2329","0.0006","13.1351","0.0007","78.296","0.004","89.626","0.004","63.969","0.004","1073.75","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H37 N P2 -","- C20 H37 N P2 -","- C40 H74 N2 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0513","0.0384","","","0.1104","0.1205","","","","","","0.961","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047976","10.3368","0.0003","13.5116","0.0007","17.2599","0.0007","90","","90","","90","","2410.63","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H46 N2 P2 -","- C20 H46 N2 P2 -","- C80 H184 N8 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1232","0.0965","","","0.2623","0.2943","","","","","","1.098","","","","has coordinates,has disorder","229678","2020-10-21","18:00:00",""
"7047977","12.309","0.0003","20.075","0.0004","16.535","0.0004","90","","109.95","0.002","90","","3840.66","0.16","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 P2 -","- C22 H24 P2 -","- C176 H192 P16 -","8","2","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0748","0.0583","","","0.1441","0.1551","","","","","","1.09","","","","has coordinates,has disorder","229678","2020-10-21","18:00:00",""
"7047978","17.4482","0.0013","6.2244","0.0003","17.8241","0.0011","90","","98.474","0.006","90","","1914.6","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 P2 -","- C20 H28 P2 -","- C80 H112 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","","0.71073","MoKα","","0.1179","0.0812","","","0.225","0.2643","","","","","","1.095","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047979","8.5271","0.0005","9.529","0.0005","13.9449","0.0009","93.186","0.005","90.722","0.005","110.634","0.004","1058.13","0.11","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H41 N P2 -","- C18 H41 N P2 -","- C36 H82 N2 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0776","0.0498","","","0.1255","0.1396","","","","","","1.072","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047980","8.5142","0.0008","9.8037","0.001","12.7706","0.0012","100.535","0.008","96.438","0.008","109.184","0.007","972.63","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H38 N2 P2 -","- C16 H38 N2 P2 -","- C32 H76 N4 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0512","0.0449","","","0.1241","0.1293","","","","","","1.046","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047981","23.2044","0.0013","28.9097","0.0017","7.4145","0.0004","90","","90","","90","","4973.9","0.5","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C24 H38 N2 O3 P2 -","- C24 H38 N2 O3 P2 -","- C192 H304 N16 O24 P16 -","8","0.5","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1353","0.0765","","","0.2154","0.2993","","","","","","1.071","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047982","9.3935","0.0005","11.1597","0.0006","11.2752","0.0006","110.014","0.004","100.623","0.004","95.397","0.004","1075.63","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H33 N P2 -","- C22 H33 N P2 -","- C44 H66 N2 P4 -","2","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.0801","0.0637","","","0.1669","0.1784","","","","","","1.032","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047983","14.3144","0.001","12.112","0.0009","12.1179","0.001","90","","90","","90","","2101","0.3","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H37 N P2 -","- C20 H37 N P2 -","- C80 H148 N4 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","1.54186","CuKα","","0.0668","0.0602","","","0.162","0.1785","","","","","","1.107","","","","has coordinates","229678","2020-10-21","18:00:00",""
"7047984","9.902","0.0005","18.9837","0.0007","11.9159","0.0006","90","","95.506","0.004","90","","2229.58","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 N2 P2 -","- C20 H38 N2 P2 -","- C80 H152 N8 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1617","0.0656","","","0.149","0.1872","","","","","","1.002","","","","has coordinates,has disorder","229678","2020-10-21","18:00:00",""
"7047985","14.77","0.003","11.093","0.002","15.89","0.003","90","","108","0.03","90","","2476.1","0.9","293","2","293.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Cu3 I3 N12 O6 -","- C48 H36 Cu3 I3 N12 O6 -","- C96 H72 Cu6 I6 N24 O12 -","2","0.5","","Guo, Xiaoqing; Huang, Chao; Yang, Haiyan; Shao, Zhichao; Gao, Kuan; Qin, Na; Li, Gaoxiang; Wu, Jie; Hou, Hongwei","Cu(i) coordination polymers (CPs) as tandem catalysts for three-component sequential click/alkynylation cycloaddition reaction with regiocontrol.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16895","16901","10.1039/c8dt04067b","","","0.71073","MoKα","","0.075","0.0681","","","0.1491","0.1536","","","","","","1.193","","","","has coordinates,has disorder","229683","2020-10-21","18:00:00",""
"7047986","31.938","0.006","7.7414","0.0015","20.506","0.004","90","","120","0.03","90","","4391","2","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br Cu N6 O3 -","- C24 H18 Br Cu N6 O3 -","- C192 H144 Br8 Cu8 N48 O24 -","8","1","","Guo, Xiaoqing; Huang, Chao; Yang, Haiyan; Shao, Zhichao; Gao, Kuan; Qin, Na; Li, Gaoxiang; Wu, Jie; Hou, Hongwei","Cu(i) coordination polymers (CPs) as tandem catalysts for three-component sequential click/alkynylation cycloaddition reaction with regiocontrol.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16895","16901","10.1039/c8dt04067b","","","0.71073","MoKα","","0.0633","0.05","","","0.1217","0.1303","","","","","","1.08","","","","has coordinates","229683","2020-10-21","18:00:00",""
"7047987","49.652","0.003","12.0617","0.0004","27.909","0.002","90","","102.619","0.006","90","","16310.6","1.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H93 Br0.72 Cl10.28 N4 O10 -","- C78 H93 Br0.718 Cl10.28 N4 O10 -","- C624 H744 Br5.744 Cl82.24 N32 O80 -","8","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.1289","0.0963","","","0.245","0.2799","","","","","","1.291","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047988","16.2495","0.0007","12.2253","0.0006","21.1205","0.0007","90","","92.453","0.004","90","","4191.8","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C87 H102 I4 N6 O10 Pd2 -","- C87 H102 I4 N6 O10 Pd2 -","- C174 H204 I8 N12 O20 Pd4 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0932","0.0666","","","0.1897","0.2143","","","","","","0.995","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047989","16.3045","0.0005","12.8881","0.0003","20.4913","0.0005","90","","107.067","0.003","90","","4116.3","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C81 H98 Cl3 I2 N4 O10 -","- C78 H95 I N4 O10 -","- C156 H190 I2 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","","0.1761","0.1536","","","0.379","0.4041","","","","","","1.535","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047990","12.5204","0.001","16.9379","0.0008","19.2586","0.0007","77.409","0.004","80.515","0.005","80.739","0.005","3898.2","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H90 Ag2 Br2 Cl6 N4 O10 -","- C77 H90 Ag2 Br2 Cl6 N4 O10 -","- C154 H180 Ag4 Br4 Cl12 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","","0.1889","0.086","","","0.2181","0.2767","","","","","","1.055","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047991","16.4695","0.0004","12.8394","0.0004","20.6024","0.0006","90","","107.615","0.003","90","","4152.3","0.2","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H98 Ag2 Br Cl7 N4 O10 -","- C81 H98 Ag2 Br Cl7 N4 O10 -","- C162 H196 Ag4 Br2 Cl14 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0677","0.0577","","","0.1407","0.1452","","","","","","0.974","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047992","20.0957","0.0006","12.1538","0.0003","37.0911","0.0011","90","","103.157","0.003","90","","8821.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C89 H106 I4 N6 O10 Pd2 -","- C89 H106 I4 N6 O10 Pd2 -","- C356 H424 I16 N24 O40 Pd8 -","4","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","0.71073","MoKα","K-L~2,3~","0.198","0.1116","","","0.294","0.3418","","","","","","1.049","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047993","12.4582","0.0003","16.8795","0.0004","19.1895","0.0005","77.554","0.002","80.633","0.002","80.93","0.002","3856.36","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H90 Ag2 Cl8 N4 O10 -","- C77 H90 Ag2 Cl8 N4 O10 -","- C154 H180 Ag4 Cl16 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.0607","0.0547","","","0.1721","0.1774","","","","","","1.354","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047994","12.1948","0.0005","28.7424","0.0006","12.6578","0.0004","90","","101.327","0.004","90","","4350.2","0.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H93 Ag2 Br2 Cl12 N4 O10 -","- C79 H91 Ag2 Br2 Cl6 N4 O10 -","- C158 H182 Ag4 Br4 Cl12 N8 O20 -","2","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.1232","0.0986","","","0.2766","0.3002","","","","","","1.139","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047995","16.515","0.002","22.309","0.003","24.313","0.002","90","","92.023","0.01","90","","8952.1","1.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79.25 H93.25 Cl13.84 I1.91 N4 O10 Pd -","- C75 H89 Cl1.091 I1.909 N4 O10 Pd -","- C300 H356 Cl4.364 I7.636 N16 O40 Pd4 -","4","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","","0.4321","0.255","","","0.5236","0.626","","","","","","0.93","","","","has coordinates,has disorder","223949","2020-10-21","18:00:00",""
"7047996","20.0828","0.0003","12.8444","0.0002","31.5223","0.0005","90","","102.969","0.0015","90","","7923.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H98 Cl4 I2 N4 O10 -","- C79 H98 Cl4 I2 N4 O10 -","- C316 H392 Cl16 I8 N16 O40 -","4","1","","Langer, Philipp; Yang, Lixu; Pfeiffer, Constance R.; Lewis, William; Champness, Neil R.","Restricting shuttling in bis(imidazolium)…pillar[5]arene rotaxanes using metal coordination.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","58","64","10.1039/c8dt04096f","","x-ray","1.54184","CuKα","K-L~2,3~","0.1512","0.1494","","","0.3317","0.3323","","","","","","1.086","","","","has coordinates","223949","2020-10-21","18:00:00",""
"7047997","8.9362","0.0007","11.4735","0.001","12.7458","0.0011","90","","90","","90","","1306.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-(piperidin-1-ylmethyl)quinolin-8-ol","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","0.71073","MoKα","","0.0643","0.0527","","","0.1402","0.1493","","","","","","1.119","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7047998","25.0347","0.0019","10.5428","0.0007","23.7514","0.0017","90","","93.299","0.002","90","","6258.5","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(7-(morpholin-4-ylmethyl)quinolin-8-ol)-bis-(μ-2-(7-(morpholin-4-ylmethyl)quinolin-8-ol)-di-copper(II) tetrachlorid dimethanol solvate dihydrate","","- C58 H76 Cl4 Cu2 N8 O12 -","- C58 H76 Cl4 Cu2 N8 O12 -","- C232 H304 Cl16 Cu8 N32 O48 -","4","0.5","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","0.71073","MoKα","","0.1015","0.0683","","","0.1236","0.1417","","","","","","1.067","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7047999","7.022","0.0003","9.497","0.0005","13.823","0.0006","95.43","0.002","101.79","0.001","99.44","0.002","882.29","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","5-chloro-7-{[(2-fluorobenzyl)amino]methyl}quinolin-8-ol","","","- C17 H17 Cl2 F N2 O2 -","- C17 H17 Cl2 F N2 O2 -","- C34 H34 Cl4 F2 N4 O4 -","2","1","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","0.71073","MoKα","","0.0452","0.0385","","","0.1021","0.1078","","","","","","1.062","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7048000","6.5336","0.0002","10.8906","0.0004","20.781","0.0007","90","","91.408","0.002","90","","1478.22","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(7-(piperidin-1-ylmethyl)quinolin-8-ol)-copper(II) dichlorid","","- C30 H36 Cl2 Cu N4 O2 -","- C30 H36 Cl2 Cu N4 O2 -","- C60 H72 Cl4 Cu2 N8 O4 -","2","0.5","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","1.54187","CuKα","","0.1542","0.0965","","","0.1839","0.2482","","","","","","1.134","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7048001","11.8498","0.0012","12.9144","0.0011","14.7891","0.0017","76.7","0.003","72.214","0.003","67.89","0.003","1979.5","0.4","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","bis-(5-chloro-7{[(2-fluorobenzyl)amino]methyl}quinolin-8-ol)-aqua-copper(II) zinctetrachlorid methanol solvate","","- C36 H36 Cl6 Cu F2 N4 O4 Zn -","- C36 H36 Cl6 Cu F2 N4 O4 Zn -","- C72 H72 Cl12 Cu2 F4 N8 O8 Zn2 -","2","1","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","0.71073","MoKα","","0.0686","0.0454","","","0.0983","0.1261","","","","","","1.137","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7048004","12.5166","0.0005","12.7218","0.0005","29.2642","0.0012","79.4431","0.0009","79.7267","0.001","82.1866","0.0009","4481.8","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H63.5 B Cl2 Dy O5.5 -","- C46 H63.5 B Cl2 Dy O5.5 -","- C184 H254 B4 Cl8 Dy4 O22 -","4","2","","Long, Jérôme; Selikhov, Alexander N.; Mamontova, Ekaterina; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Single-molecule magnet behaviour in a Dy(iii) pentagonal bipyramidal complex with a quasi-linear Cl-Dy-Cl sequence.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","35","39","10.1039/c8dt04098b","","","0.71073","MoKα","","0.0585","0.0388","","","0.0706","0.0777","","","","","","1.023","","","","has coordinates,has disorder","223944","2020-10-21","18:00:00",""
"7048005","10.424","0.003","14.82","0.005","30.152","0.009","90","","94.81","0.03","90","","4642","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Carbonyl(chloro)iodo[4-(4-nitrophenyl)butadiynyl]bis(triphenylphosphine)iridium(III)","","- C54 H42 Cl I Ir N O3 P2 -","- C54 H42 Cl I Ir N O3 P2 -","- C216 H168 Cl4 I4 Ir4 N4 O12 P8 -","4","1","","Pigulski, Bartłomiej; Jarszak, Agata; Szafert, Sławomir","Selective synthesis of iridium(iii) end-capped polyynes by oxidative addition of 1-iodopolyynes to Vaska's complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17046","17054","10.1039/c8dt04219e","","","0.71073","MoKα","","0.1792","0.0607","","","0.1038","0.1236","","","","","","0.764","","","","has coordinates,has disorder","229684","2020-10-21","18:00:00",""
"7048006","12.454","0.011","14.888","0.013","18.079","0.018","90","","95.797","0.014","90","","3335","5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br F6 Ni P2 Sb -","- C28 H40 Br F6 Ni P2 Sb -","- C112 H160 Br4 F24 Ni4 P8 Sb4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0759","0.0422","","","0.0787","0.0921","","","","","","0.976","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048007","11.7793","0.0005","15.5651","0.0009","20.8787","0.0011","90","","90.523","0.003","90","","3827.9","0.3","173","2","173","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Br F6 N Ni O2 P2 S Sb -","- C35 H47 Br F6 N Ni O2 P2 S Sb -","- C140 H188 Br4 F24 N4 Ni4 O8 P8 S4 Sb4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0481","0.0314","","","0.0654","0.0723","","","","","","1.01","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048008","16.4321","0.0004","14.2612","0.0005","16.6228","0.0005","90","","110.71","0.002","90","","3643.7","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br F6 Ni O P2 Sb -","- C28 H40 Br F6 Ni O P2 Sb -","- C112 H160 Br4 F24 Ni4 O4 P8 Sb4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0912","0.045","","","0.0976","0.1125","","","","","","0.998","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048009","38.776","0.008","51.519","0.01","9.2266","0.0018","90","","90","","90","","18432","6","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C31 H49 Br F6 Ni P3 Sb -","- C31 H49 Br F6 Ni P3 Sb -","- C496 H784 Br16 F96 Ni16 P48 Sb16 -","16","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0552","0.04","","","0.0825","0.0961","","","","","","1.021","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048010","11.019","0.0006","11.1636","0.0007","13.0424","0.0008","107.237","0.002","98.206","0.002","111.768","0.002","1364.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 Br Ni P2 -","- C28 H40 Br Ni P2 -","- C56 H80 Br2 Ni2 P4 -","2","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0478","0.0334","","","0.0748","0.0801","","","","","","1","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048011","14.4344","0.0011","10.4579","0.0007","22.2043","0.0014","90","","98.505","0.003","90","","3315","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 F6 N P2 Sb -","- C28 H40 F6 N P2 Sb -","- C112 H160 F24 N4 P8 Sb4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0771","0.0432","","","0.097","0.1193","","","","","","1.052","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048012","10.9965","0.0003","16.1517","0.0004","18.8351","0.0004","90","","101.979","0.001","90","","3272.49","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 F6 N2 Ni P2 Sb -","- C28 H45 F6 N2 Ni P2 Sb -","- C112 H180 F24 N8 Ni4 P8 Sb4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Gendy, Chris","Redox-state dependent activation of silanes and ammonia with reverse polarity (PC<sub>carbene</sub>P)Ni complexes: electrophilic vs. nucleophilic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16789","16797","10.1039/c8dt04409k","","","0.71073","MoKα","","0.0434","0.0315","","","0.0727","0.0812","","","","","","1.016","","","","has coordinates","229647","2020-10-21","18:00:00",""
"7048013","24.2045","0.001","14.8901","0.0006","27.9788","0.0012","90","","110.265","0.0015","90","","9459.6","0.7","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cl12 F14 Ir2 N10 O2 -","- C92 H76 Cl12 F14 Ir2 N10 O2 -","- C368 H304 Cl48 F56 Ir8 N40 O8 -","4","0.5","","Congrave, Daniel G.; Batsanov, Andrei S.; Bryce, Martin R.","Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16524","16533","10.1039/c8dt04043e","","x-ray","0.71073","MoKα","","0.0612","0.0424","","","0.1035","0.1125","","","","","","1.079","","","","has coordinates,has disorder","229653","2020-10-21","18:00:00",""
"7048014","20.0605","0.001","13.1557","0.0006","30.6755","0.0015","90","","90","","90","","8095.6","0.7","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C88 H68 F18 Ir2 N10 O4 -","- C88 H68 F18 Ir2 N10 O4 -","- C352 H272 F72 Ir8 N40 O16 -","4","0.5","","Congrave, Daniel G.; Batsanov, Andrei S.; Bryce, Martin R.","Highly luminescent 2-phenylpyridine-free diiridium complexes with bulky 1,2-diarylimidazole cyclometalating ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16524","16533","10.1039/c8dt04043e","","x-ray","0.71073","MoKα","","0.061","0.0378","","","0.0738","0.0813","","","","","","1.077","","","","has coordinates,has disorder","229653","2020-10-21","18:00:00",""
"7048015","13.3317","0.0012","17.1334","0.0015","42.567","0.004","90","","96.119","0.002","90","","9667.6","1.5","170","","170","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C70 H67 Cl F24 N15 O24 S8 Sn2 -","- C70 H70 Cl F24 N15 O24 S8 Sn2 -","- C280 H280 Cl4 F96 N60 O96 S32 Sn8 -","4","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","0.71073","MoKα","","0.0991","0.0923","","","0.1945","0.198","","","","","","1.288","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048016","12.9482","0.001","13.7454","0.001","17.427","0.0013","81.027","0.003","71.795","0.002","62.15","0.002","2604.9","0.3","170","","170","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H48 F10 N7 O10 P S3 Sn -","- C39 H48 F10 N7 O10 P S3 Sn -","- C78 H96 F20 N14 O20 P2 S6 Sn2 -","2","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","0.71073","MoKα","","0.0657","0.0473","","","0.1131","0.1229","","","","","","1.021","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048017","24.916","0.0009","18.9906","0.0007","18.5755","0.0007","90","","120.133","0.002","90","","7601.6","0.5","170","","169.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H33 F6 N7 O6 S2 Sn -","- C32 H33 F6 N7 O6 S2 Sn -","- C256 H264 F48 N56 O48 S16 Sn8 -","8","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","1.54178","CuKα","","0.0891","0.0696","","","0.1395","0.1567","","","","","","1.115","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048018","14.3989","0.0011","15.9087","0.0013","18.4727","0.0014","90","","92.894","0.002","90","","4226.1","0.6","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H37.5 F8 N8.5 O6 S2 Sn -","- C35 H37.5 F8 N8.5 O6 S2 Sn -","- C140 H150 F32 N34 O24 S8 Sn4 -","4","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","0.71073","MoKα","","0.1098","0.0692","","","0.1308","0.1768","","","","","","1.232","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048019","24.1425","0.0011","14.5319","0.0007","24.5279","0.0012","90","","90","","90","","8605.3","0.7","170","","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C39 H45 F6 N11 O3 S Sn -","- C39 H45 F6 N11 O3 S Sn -","- C312 H360 F48 N88 O24 S8 Sn8 -","8","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Zijlstra, Harmen S.; Macdonald, Charles L. B.; McIndoe, J. Scott; Burford, Neil","Synthesis, characterization and mass-spectrometric analysis of [LSn(IV)F<sub>4-x</sub>]<sup>x+</sup> salts [L = tris ((1-ethyl-benzoimidazol-2-yl)methyl)amine, x = 1-4].","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16729","16736","10.1039/c8dt03908a","","","0.71073","MoKα","","0.1028","0.0602","","","0.1241","0.1648","","","","","","1.239","","","","has coordinates,has disorder","229648","2020-10-21","18:00:00",""
"7048020","12.895","0.003","20.421","0.004","20.281","0.004","90","","90","","90","","5340.6","1.9","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C8 H26 Ge5.88 N2 O21 Si2.63 -","- C8 H26 Ge5.8778 N2 O21 Si3.6222 -","- C64 H208 Ge47.0224 N16 O168 Si28.9776 -","8","0.5","","Jo, Donghui; Choi, Wanuk; Shin, Jiho; Hong, Suk Bong","An open-framework silicogermanate regularly constructed from natrolite zeolite chains and Ge<sub>9</sub>O<sub>18</sub>(OH)<sub>4</sub> clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17122","17126","10.1039/c8dt04175j","","","0.62","synchrotron","","0.1983","0.1031","","","0.309","0.3558","","","","","","1.089","","","","has coordinates,has disorder","229691","2020-10-21","18:00:00",""
"7048021","9.785","0.002","12.336","0.002","14.142","0.003","92.154","0.004","103.057","0.005","101.48","0.005","1623.5","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Fe N3 O P2 -","- C40 H34 Fe N3 O P2 -","- C80 H68 Fe2 N6 O2 P4 -","2","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.0795","0.0507","","","0.104","0.118","","","","","","1.063","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048022","5.4622","0.0002","25.5595","0.0011","10.5965","0.0005","90","","101.941","0.004","90","","1447.38","0.11","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Chlorophenyl)-phenanthredin-6-one","","- C19 H12 Cl N O -","- C19 H12 Cl N O -","- C76 H48 Cl4 N4 O4 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71073","MoKα","","0.0872","0.0579","","","0.1158","0.1329","","","","","","1.104","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048023","9.8699","0.0009","10.7795","0.0013","16.578","0.002","82.081","0.011","75.184","0.001","65.26","0.008","1547.7","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 Fe N2 O P2 -","- C39 H30 Fe N2 O P2 -","- C78 H60 Fe2 N4 O2 P4 -","2","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.0704","0.0519","","","0.1322","0.1409","","","","","","1.07","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048024","18.299","0.005","14.14","0.004","15.178","0.005","90","","107.351","0.007","90","","3748.6","1.9","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Br2 Fe N2 P2 -","- C38 H54 Br2 Fe N2 P2 -","- C152 H216 Br8 Fe4 N8 P8 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.1139","0.0744","","","0.1754","0.189","","","","","","1.107","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048025","26.075","0.004","10.1672","0.0015","28.018","0.004","90","","93.366","0.003","90","","7415","1.9","93","2","93","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C82 H122 Fe2 N6 P4 -","- C82 H122 Fe2 N6 P4 -","- C328 H488 Fe8 N24 P16 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.1459","0.0771","","","0.148","0.1849","","","","","","1.128","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048026","9.6735","0.0009","12.1191","0.0008","17.898","0.0018","70.273","0.016","74.867","0.016","67.391","0.014","1802.4","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Fe N2 P2 Si -","- C44 H38 Fe N2 P2 Si -","- C88 H76 Fe2 N4 P4 Si2 -","2","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.082","0.0528","","","0.1265","0.1371","","","","","","0.961","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048027","12.0414","0.0019","20.358","0.003","14.058","0.002","90","","107.348","0.003","90","","3289.4","0.9","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cl2 Fe N2 P2 -","- C38 H30 Cl2 Fe N2 P2 -","- C152 H120 Cl8 Fe4 N8 P8 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.0324","0.0259","","","0.0644","0.0669","","","","","","1.028","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048028","15.1645","0.0019","13.1906","0.0019","16.823","0.002","90","","90","","90","","3365.1","0.8","93","2","93","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H56 Fe N2 P2 -","- C38 H56 Fe N2 P2 -","- C152 H224 Fe4 N8 P8 -","4","1","","Takeshita, Tomohiro; Sato, Kazuhiko; Nakajima, Yumiko","Selective hydrosiloxane synthesis via dehydrogenative coupling of silanols with hydrosilanes catalysed by Fe complexes bearing a tetradentate PNNP ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17004","17010","10.1039/c8dt04168g","","","0.71075","MoKα","","0.0419","0.0338","","","0.0774","0.0802","","","","","","1.022","","","","has coordinates","229681","2020-10-21","18:00:00",""
"7048029","13.178","0.0015","13.6064","0.0015","15.8544","0.0017","103.901","0.003","101.012","0.003","117.443","0.003","2293.9","0.5","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C82 H99 Cl4 Dy2 N4 O18.5 Zn2 -","- C82 H99 Cl4 Dy2 N4 O18.5 Zn2 -","- C82 H99 Cl4 Dy2 N4 O18.5 Zn2 -","1","0.5","","Ke, Hongshan; Wei, Wen; Zhang, Yi-Quan; Zhang, Jun; Xie, Gang; Chen, Sanping","Influence of alcoholic solvent and acetate anion coordination mode variations on structures and magnetic properties of heterometallic Zn<sub>2</sub>Dy<sub>2</sub> tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16616","16626","10.1039/c8dt03983f","","","0.71073","MoKα","","0.0718","0.052","","","0.1188","0.1281","","","","","","0.963","","","","has coordinates,has disorder","229642","2020-10-21","18:00:00",""
"7048030","13.92","0.002","14.776","0.002","15.569","0.002","114.089","0.003","92.47","0.003","116.27","0.003","2521.6","0.6","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C84 H106.2 Cl8 Dy2 N4 O20.1 Zn2 -","- C84 H106.2 Cl8 Dy2 N4 O20.1 Zn2 -","- C84 H106.2 Cl8 Dy2 N4 O20.1 Zn2 -","1","0.5","","Ke, Hongshan; Wei, Wen; Zhang, Yi-Quan; Zhang, Jun; Xie, Gang; Chen, Sanping","Influence of alcoholic solvent and acetate anion coordination mode variations on structures and magnetic properties of heterometallic Zn<sub>2</sub>Dy<sub>2</sub> tetranuclear clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16616","16626","10.1039/c8dt03983f","","","0.71073","MoKα","","0.06","0.0466","","","0.1112","0.1186","","","","","","0.991","","","","has coordinates","229642","2020-10-21","18:00:00",""
"7048032","12.52","0.0005","12.52","0.0005","35.8306","0.0008","90","","90","","90","","5616.5","0.3","295","","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C38 H34 Cu4 F12 N4 O11 -","- C38 H34 Cu4 F12 N4 O11 -","- C152 H136 Cu16 F48 N16 O44 -","4","","","Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis","Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges","Dalton Transactions","2018","","","","","10.1039/C8DT03390K","","","0.71073","MoKα","","0.0592","0.0431","","","0.1237","0.1347","","","","","","0.991","","","","has coordinates,has disorder","211911","2020-10-21","18:00:00",""
"7048033","12.3517","0.0004","14.113","0.0005","14.444","0.0005","77.244","0.002","75.506","0.0019","71.192","0.002","2280.45","0.14","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H80 Cl6 Cu6 N6 O40 -","- C72 H80 Cl6 Cu6 N6 O40 -","- C72 H80 Cl6 Cu6 N6 O40 -","1","0.5","","Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis","Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges","Dalton Transactions","2018","","","","","10.1039/C8DT03390K","","","0.71073","MoKα","","0.1014","0.076","","","0.2285","0.2567","","","","","","1.065","","","","has coordinates","211911","2020-10-21","18:00:00",""
"7048034","16.529","0.003","22.599","0.004","14.645","0.003","90","","99.695","0.005","90","","5392.3","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cu4 N4 O12 -","- C58 H54 Cu4 N4 O12 -","- C232 H216 Cu16 N16 O48 -","4","1","","Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis","Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges","Dalton Transactions","2018","","","","","10.1039/C8DT03390K","","","0.71073","MoKα","","0.1397","0.0977","","","0.2025","0.221","","","","","","1.162","","","","has coordinates,has disorder","211911","2020-10-21","18:00:00",""
"7048035","14.33","0.0017","15.8481","0.0019","24.442","0.003","79.731","0.004","80.665","0.004","83.118","0.004","5365.9","1.1","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H121 Cl3 Cu10 N8 O45 -","- C82 H121 Cl3 Cu10 N8 O45 -","- C164 H242 Cl6 Cu20 N16 O90 -","2","1","","Das, Manisha; Canaj, Angelos; Bertolasi, Valerio; Murrie, Mark; Ray, Debashis","Strategic Synthesis of [Cu2], [Cu4] and [Cu5] Complexes: Inhibition and Triggering of Ligand Arm Hydrolysis and Self-aggregation by Chosen Ancillary Bridges","Dalton Transactions","2018","","","","","10.1039/C8DT03390K","","","0.71073","MoKα","","0.1054","0.065","","","0.1631","0.1848","","","","","","1.024","","","","has coordinates,has disorder","211911","2020-10-21","18:00:00",""
"7048036","8.277","0.005","43.32","0.03","8.716","0.005","90","","112.867","0.008","90","","2880","3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H41 N2 P -","- C32 H41 N2 P -","- C128 H164 N8 P4 -","4","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Imino-stabilised phosphinidene (or azaphosphole?) and some of its derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17011","17019","10.1039/c8dt03465f","","","0.71073","MoKα","","0.1134","0.0601","","","0.1433","0.1696","","","","","","0.984","","","","has coordinates","229679","2020-10-21","18:00:00",""
"7048037","21.2829","0.0007","8.2036","0.0003","16.1186","0.0006","90","","90","","90","","2814.25","0.17","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H39 N2 P -","- C32 H39 N2 P -","- C128 H156 N8 P4 -","4","0.5","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Imino-stabilised phosphinidene (or azaphosphole?) and some of its derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17011","17019","10.1039/c8dt03465f","","","0.71073","MoKα","","0.0873","0.0479","","","0.1119","0.1341","","","","","","1.022","","","","has coordinates","229679","2020-10-21","18:00:00",""
"7048038","10.6711","0.0006","20.721","0.0012","13.5816","0.0007","90","","91.933","0.003","90","","3001.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 N2 O2 P -","- C33 H41 N2 O2 P -","- C132 H164 N8 O8 P4 -","4","1","","Nguyen, Minh Tho; Gabidullin, Bulat; Nikonov, Georgii I.","Imino-stabilised phosphinidene (or azaphosphole?) and some of its derivatives.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17011","17019","10.1039/c8dt03465f","","","0.71073","MoKα","","0.1065","0.0607","","","0.1485","0.1816","","","","","","1.015","","","","has coordinates","229679","2020-10-21","18:00:00",""
"7048039","11.325","0.0002","13.8008","0.0003","12.4291","0.0002","90","","92.485","0.0019","90","","1940.77","0.06","173","2","173","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C36 H40 Cu F6 Fe2 N4 O3 P -","- C36 H40 Cu F6 Fe2 N4 O3 P -","- C72 H80 Cu2 F12 Fe4 N8 O6 P2 -","2","0.5","","Wilkinson, Luke A.; Yue, Thomas T. C.; Massey, Emma; White, Andrew J. P.; Long, Nicholas J.","Cyanoferrocenes as redox-active metalloligands for coordination-driven self-assembly.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","72","78","10.1039/c8dt04215b","","","1.54184","CuKα","","0.0788","0.05","","","0.1163","0.135","","","","","","1.038","","","","has coordinates,has disorder","223946","2020-10-21","18:00:00",""
"7048040","11.0955","0.0003","17.6608","0.0004","24.8674","0.0008","90","","101.073","0.003","90","","4782.2","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H40 Cl2 Cu F6 Fe N2 P3 -","- C49 H40 Cl2 Cu F6 Fe N2 P3 -","- C196 H160 Cl8 Cu4 F24 Fe4 N8 P12 -","4","1","","Wilkinson, Luke A.; Yue, Thomas T. C.; Massey, Emma; White, Andrew J. P.; Long, Nicholas J.","Cyanoferrocenes as redox-active metalloligands for coordination-driven self-assembly.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","72","78","10.1039/c8dt04215b","","","0.71073","MoKα","","0.0618","0.0422","","","0.0941","0.1043","","","","","","1.032","","","","has coordinates,has disorder","223946","2020-10-21","18:00:00",""
"7048041","9.4162","0.0005","20.4515","0.001","18.6792","0.0009","90","","98.235","0.002","90","","3560.1","0.3","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 F12 N9 P2 Pd -","- C30 H27 F12 N9 P2 Pd -","- C120 H108 F48 N36 P8 Pd4 -","4","1","","Schroeter, Felix; Císařová, Ivana; Soellner, Johannes; Herdtweck, Eberhardt; Strassner, Thomas","Electron-poor hemilabile dicationic palladium NHC complexes - synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16638","16650","10.1039/c8dt03373k","","","0.71073","MoKα","","0.0317","0.0308","","","0.0772","0.0782","","","","","","1.051","","","","has coordinates","229631","2020-10-21","18:00:00",""
"7048042","7.8636","0.0004","12.5184","0.0007","16.0803","0.0009","75.862","0.002","77.486","0.002","76.016","0.002","1468.45","0.14","150","","150","","","","","","","","see text","6","P -1","-P 1","2","","","","- C26 H18 F14 N8 P2 Pd -","- C26 H18 F14 N8 P2 Pd -","- C52 H36 F28 N16 P4 Pd2 -","2","1","","Schroeter, Felix; Císařová, Ivana; Soellner, Johannes; Herdtweck, Eberhardt; Strassner, Thomas","Electron-poor hemilabile dicationic palladium NHC complexes - synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16638","16650","10.1039/c8dt03373k","","x-ray","0.71073","MoKα","","0.035","0.0284","","","0.0572","0.0595","","","","","","1.076","","","","has coordinates","229631","2020-10-21","18:00:00",""
"7048043","16.0292","0.0009","11.2624","0.0008","18.3984","0.0012","90","","98.024","0.002","90","","3288.9","0.4","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 F14 N9 P2 Pd -","- C28 H21 F14 N9 P2 Pd -","- C112 H84 F56 N36 P8 Pd4 -","4","1","","Schroeter, Felix; Císařová, Ivana; Soellner, Johannes; Herdtweck, Eberhardt; Strassner, Thomas","Electron-poor hemilabile dicationic palladium NHC complexes - synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16638","16650","10.1039/c8dt03373k","","x-ray","0.71073","MoKα","","0.0536","0.0349","","","0.0756","0.0819","","","","","","1.036","","","","has coordinates","229631","2020-10-21","18:00:00",""
"7048044","13.4023","0.0005","20.9123","0.0008","12.4921","0.0004","90","","111.055","0.001","90","","3267.4","0.2","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl F6 N8 P Pd -","- C28 H24 Cl F6 N8 P Pd -","- C112 H96 Cl4 F24 N32 P4 Pd4 -","4","1","","Schroeter, Felix; Císařová, Ivana; Soellner, Johannes; Herdtweck, Eberhardt; Strassner, Thomas","Electron-poor hemilabile dicationic palladium NHC complexes - synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16638","16650","10.1039/c8dt03373k","","x-ray","0.71073","MoKα","","0.0295","0.0258","","","0.0599","0.0621","","","","","","1.052","","","","has coordinates,has disorder","229631","2020-10-21","18:00:00",""
"7048045","10.939","0.002","13.812","0.003","11.949","0.002","90","","95.75","0.03","90","","1796.3","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cl2 Cu2 F1.02 N8 -","- C40 H24 Cl2 Cu2 F1.024 N8 -","- C80 H48 Cl4 Cu4 F2.048 N16 -","2","0.5","","Kwon, Hyunchul; Lee, Eunsung","Fluxional motion in a dinuclear copper(i) complex with a propeller-type ligand: metal hopping on both sides.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17206","17210","10.1039/c8dt03884h","","","0.71073","MoKα","","0.0525","0.0478","","","0.1677","0.1749","","","","","","1.357","","","","has coordinates","229725","2020-10-21","18:00:00",""
"7048046","10.8823","0.0005","14.2847","0.0007","20.7956","0.001","78.593","0.002","81.81","0.002","70.502","0.002","2976.9","0.2","123","","123","","","","","","","","see text","8","P -1","-P 1","2","","","","- C62 H68 Cl5 Ir N4 O2 P2 Ru -","- C62 H68 Cl5 Ir N4 O2 P2 Ru -","- C124 H136 Cl10 Ir2 N8 O4 P4 Ru2 -","2","1","","Pardatscher, Lorenz; Bitzer, Mario J.; Jandl, Christian; Kück, Jens W; Reich, Robert M.; Kühn, Fritz E; Baratta, Walter","Cationic abnormal N-heterocyclic carbene ruthenium complexes as suitable precursors for the synthesis of heterobimetallic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","79","89","10.1039/c8dt03713b","","x-ray","0.71073","MoKα","","0.0308","0.0269","","","0.0682","0.0711","","","","","","1.044","","","","has coordinates","223948","2020-10-21","18:00:00",""
"7048047","12.0683","0.0008","13.5766","0.001","18.7301","0.0013","76.489","0.002","83.192","0.002","77.258","0.002","2903.2","0.4","100","","100","","","","","","","","see text","8","P -1","-P 1","2","","","","- C62 H65 Cl Ir N2 O2 P3 Ru -","- C62 H65 Cl Ir N2 O2 P3 Ru -","- C124 H130 Cl2 Ir2 N4 O4 P6 Ru2 -","2","1","","Pardatscher, Lorenz; Bitzer, Mario J.; Jandl, Christian; Kück, Jens W; Reich, Robert M.; Kühn, Fritz E; Baratta, Walter","Cationic abnormal N-heterocyclic carbene ruthenium complexes as suitable precursors for the synthesis of heterobimetallic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","79","89","10.1039/c8dt03713b","","x-ray","0.71073","MoKα","","0.0389","0.034","","","0.0772","0.0799","","","","","","1.091","","","","has coordinates,has disorder","223948","2020-10-21","18:00:00",""
"7048048","15.193","0.003","14.891","0.003","26.067","0.004","90","","92.246","0.008","90","","5892.8","1.9","100","","100","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 Ag Br N2 O2 P3 Ru -","- C54 H53 Ag Br N2 O2 P3 Ru -","- C216 H212 Ag4 Br4 N8 O8 P12 Ru4 -","4","1","","Pardatscher, Lorenz; Bitzer, Mario J.; Jandl, Christian; Kück, Jens W; Reich, Robert M.; Kühn, Fritz E; Baratta, Walter","Cationic abnormal N-heterocyclic carbene ruthenium complexes as suitable precursors for the synthesis of heterobimetallic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","79","89","10.1039/c8dt03713b","","x-ray","0.71073","MoKα","","0.0534","0.0447","","","0.1283","0.1352","","","","","","1.037","","","","has coordinates,has disorder","223948","2020-10-21","18:00:00",""
"7048049","11.784","0.0015","20.151","0.003","26.982","0.004","90","","102.446","0.004","90","","6256.6","1.5","100","","100","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.05 H74.12 Br N2 O4.51 P3 Ru -","- C64.064 H74.128 Br N2 O4.516 P3 Ru -","- C256.256 H296.512 Br4 N8 O18.064 P12 Ru4 -","4","1","","Pardatscher, Lorenz; Bitzer, Mario J.; Jandl, Christian; Kück, Jens W; Reich, Robert M.; Kühn, Fritz E; Baratta, Walter","Cationic abnormal N-heterocyclic carbene ruthenium complexes as suitable precursors for the synthesis of heterobimetallic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","79","89","10.1039/c8dt03713b","","x-ray","0.71073","MoKα","","0.044","0.0383","","","0.1074","0.1118","","","","","","1.052","","","","has coordinates","223948","2020-10-21","18:00:00",""
"7048050","18.521","0.004","8.217","0.002","5.1493","0.0013","90","","90","","90","","783.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 As F5 N -","- C4 H7 As F5 N -","- C16 H28 As4 F20 N4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0795","0.0506","","","0.0702","0.0762","","","","","","1.137","","","","has coordinates,has disorder","223941","2020-10-21","18:00:00",""
"7048051","6.2721","0.0013","8.1472","0.0017","10.157","0.002","90","","95.375","0.004","90","","516.74","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F5 N Sb -","- C H F5 N Sb -","- C4 H4 F20 N4 Sb4 -","4","1","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0251","0.0224","","","0.0571","0.058","","","","","","1.109","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048052","5.4973","0.0015","5.4973","0.0015","16.475","0.005","90","","90","","90","","497.9","0.2","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","AsF5HCN","","","- C H As F5 N -","- C H As F5 N -","- C4 H4 As4 F20 N4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0288","0.0246","","","0.0552","0.0567","","","","","","1.195","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048053","18.894","0.007","8.416","0.003","5.261","0.002","90","","90","","90","","836.6","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H7 F5 N Sb -","- C4 H7 F5 N Sb -","- C16 H28 F20 N4 Sb4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0239","0.0167","","","0.0335","0.0347","","","","","","1.058","","","","has coordinates,has disorder","223941","2020-10-21","18:00:00",""
"7048054","5.97","0.003","8.897","0.005","9.201","0.005","90","","97.38","0.008","90","","484.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 F10 N2 Sb2 -","- C10 H18 F10 N2 Sb2 -","- C10 H18 F10 N2 Sb2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0649","0.0398","","","0.0715","0.0826","","","","","","1.067","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048055","7.593","0.0013","10.1881","0.0018","12.803","0.002","90","","90","","90","","990.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 As2 F10 N2 -","- C3 H2 As2 F10 N2 -","- C12 H8 As8 F40 N8 -","4","1","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0258","0.0207","","","0.0375","0.0387","","","","","","1.055","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048056","11.705","0.005","12.542","0.006","8.136","0.004","90","","131.518","0.007","90","","894.3","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PhCNAsF5","","","- C7 H5 As F5 N -","- C7 H5 As F5 N -","- C28 H20 As4 F20 N4 -","4","0.5","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0378","0.0341","","","0.0877","0.0914","","","","","","1.072","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048057","5.9896","0.0016","8.66","0.002","8.905","0.002","90","","97.932","0.004","90","","457.48","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 As2 F10 N2 -","- C10 H18 As2 F10 N2 -","- C10 H18 As2 F10 N2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0217","0.0184","","","0.0444","0.0456","","","","","","1.064","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048058","5.3862","0.0016","15.562","0.005","8.49","0.003","90","","102.14","0.005","90","","695.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 F5 N2 Sb -","- C3 H2 F5 N2 Sb -","- C12 H8 F20 N8 Sb4 -","4","1","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0573","0.0402","","","0.0942","0.1024","","","","","","1.107","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048059","5.3379","0.0012","15.257","0.003","8.3529","0.0018","90","","104.096","0.003","90","","659.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 As F5 N2 -","- C3 H2 As F5 N2 -","- C12 H8 As4 F20 N8 -","4","1","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0231","0.0186","","","0.0411","0.0423","","","","","","1.098","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048060","5.227","0.005","8.481","0.007","8.215","0.007","90","","100.37","0.012","90","","358.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 As2 F10 N2 -","- C8 H10 As2 F10 N2 -","- C8 H10 As2 F10 N2 -","1","0.25","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0315","0.0249","","","0.0478","0.049","","","","","","1.096","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048061","10.0603","0.0004","11.0336","0.0005","22.1907","0.0008","90","","90","","90","","2463.2","0.17","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide","","- C12 H10 N6 S -","- C12 H10 N6 S -","- C96 H80 N48 S8 -","8","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0769","0.0481","","","0.0942","0.1032","","","","","","1.048","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048062","51.88","0.002","8.4111","0.0004","17.1533","0.0008","90","","94.245","0.007","90","","7464.6","0.6","290","","290","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Iron(II) bis(2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide) tetrafluorobroate","","- C26 H26 B2 F8 Fe N14 O4 S2 -","- C26 H26 B2 F8 Fe N14 O4 S2 -","- C208 H208 B16 F64 Fe8 N112 O32 S16 -","8","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0844","0.0605","","","0.1663","0.1827","","","","","","1.014","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048063","8.2583","0.0001","40.8625","0.0004","10.8057","0.0001","90","","94.739","0.001","90","","3633.97","0.07","329.98","0.12","329.98","0.12","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Iron(II) bis(N-methyl-2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide ) tetrafluorobroate","","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C108 H108 B8 F32 Fe4 N52 O8 S8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","x-ray","1.54184","CuKα","","0.0441","0.0393","","","0.1076","0.1111","","","","","","1.066","","","","has coordinates,has disorder","223936","2020-10-21","18:00:00",""
"7048064","51.605","0.002","8.3203","0.0004","16.7867","0.0007","90","","93.676","0.007","90","","7192.9","0.5","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Iron(II) bis(2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide) tetrafluorobroate","","- C26 H26 B2 F8 Fe N14 O4 S2 -","- C26 H26 B2 F8 Fe N14 O4 S2 -","- C208 H208 B16 F64 Fe8 N112 O32 S16 -","8","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0606","0.0442","","","0.1097","0.1188","","","","","","1.045","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048065","8.2808","0.0002","10.2621","0.0003","20.5898","0.0005","81.158","0.002","86.276","0.002","89.446","0.002","1725.24","0.08","369.99","0.1","369.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl2 Fe N12 O8 S2 -","- C26 H24 Cl2 Fe N12 O8 S2 -","- C52 H48 Cl4 Fe2 N24 O16 S4 -","2","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","x-ray","1.54184","CuKα","","0.051","0.0468","","","0.1401","0.1439","","","","","","1.088","","","","has coordinates,has disorder","223936","2020-10-21","18:00:00",""
"7048066","8.2973","0.0004","9.748","0.0004","20.6211","0.0009","81.087","0.007","83.793","0.007","90.517","0.006","1637.51","0.13","102","","102","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl2 Fe N12 O8 S2 -","- C26 H24 Cl2 Fe N12 O8 S2 -","- C52 H48 Cl4 Fe2 N24 O16 S4 -","2","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0791","0.0564","","","0.131","0.141","","","","","","1.038","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048067","6.4725","0.0002","13.6562","0.0005","31.8638","0.0011","90","","90","","90","","2816.43","0.17","290","","290","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl-2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide","","- C13 H12 N6 S -","- C13 H12 N6 S -","- C104 H96 N48 S8 -","8","2","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0384","0.0325","","","0.0851","0.0884","","","","","","1.024","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048068","8.0479","0.0003","40.9514","0.0014","10.6303","0.0004","90","","92.164","0.007","90","","3501","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Iron(II) bis(N-methyl-2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide ) tetrafluorobroate","","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C108 H108 B8 F32 Fe4 N52 O8 S8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0493","0.044","","","0.1182","0.1227","","","","","","1.074","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048069","8.2899","0.0003","9.9601","0.0003","20.744","0.0006","80.302","0.006","83.941","0.006","89.321","0.006","1678.86","0.1","290","","290","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cl2 Fe N12 O8 S2 -","- C26 H24 Cl2 Fe N12 O8 S2 -","- C52 H48 Cl4 Fe2 N24 O16 S4 -","2","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0869","0.0639","","","0.1618","0.175","","","","","","1.052","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048070","8.2211","0.0003","40.87","0.0018","10.7721","0.0004","90","","94.349","0.007","90","","3609","0.2","290","","290","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C27 H27 B2 F8 Fe N13 O2 S2 -","- C108 H108 B8 F32 Fe4 N52 O8 S8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.1","0.0773","","","0.2155","0.2351","","","","","","1.031","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048071","26.8865","0.0012","10.0794","0.0004","23.4752","0.0015","90","","110.681","0.006","90","","5951.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61 H73 Cl6 N5 Rh2 -","- C61 H73 Cl6 N5 Rh2 -","- C244 H292 Cl24 N20 Rh8 -","4","0.5","","Günnaz, Salih; Gökçe, Aytaç Gürhan; Türkmen, Hayati","Synthesis of bimetallic complexes bridged by 2,6-bis(benzimidazol-2-yl) pyridine derivatives and their catalytic properties in transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17317","17328","10.1039/c8dt03178a","","","0.71073","MoKα","","0.082","0.0448","","","0.101","0.1165","","","","","","0.992","","","","has coordinates","229721","2020-10-21","18:00:00",""
"7048072","7.356","0.002","15.611","0.005","21.49","0.007","90","","90","","90","","2467.8","1.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(N‒Phenyl‒N'‒quinoxalin‒2‒ylmethylene‒hydrazine)","","- C15 H12 N4 -","- C15 H12 N4 -","- C120 H96 N32 -","8","1","","Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita","A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17077","17085","10.1039/c8dt02449a","","","0.71073","MoKα","","0.0858","0.0479","","","0.1331","0.1596","","","","","","0.964","","","","has coordinates","229690","2020-10-21","18:00:00",""
"7048073","8.8038","0.0003","7.6345","0.0003","15.3532","0.0006","90","","96.243","0.001","90","","1025.81","0.07","295","2","295","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H15 Cl4 Fe N4 O -","- C15 H15 Cl4 Fe N4 O -","- C30 H30 Cl8 Fe2 N8 O2 -","2","1","","Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita","A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17077","17085","10.1039/c8dt02449a","","","0.71073","MoKα","","0.0362","0.0317","","","0.0789","0.0831","","","","","","0.971","","","","has coordinates","229690","2020-10-21","18:00:00",""
"7048074","8.9676","0.0012","8.2574","0.0011","22.319","0.003","90","","94.52","0.004","90","","1647.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N4 O5 -","- C15 H15 Cl N4 O5 -","- C60 H60 Cl4 N16 O20 -","4","1","","Bag, Riya; Sikdar, Yeasin; Sahu, Sutapa; Maiti, Dilip K.; Frontera, Antonio; Bauzá, Antonio; Drew, Michael G. B.; Goswami, Sanchita","A versatile quinoxaline derivative serves as a colorimetric sensor for strongly acidic pH.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17077","17085","10.1039/c8dt02449a","","","0.71073","MoKα","","0.0695","0.052","","","0.1515","0.1677","","","","","","1.043","","","","has coordinates","229690","2020-10-21","18:00:00",""
"7048075","9.6024","0.0009","26.131","0.002","25.176","0.002","90","","90.7143","0.0012","90","","6316.7","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 Ho K2 O15 -","- C60 H100 Ho K2 O15 -","- C240 H400 Ho4 K8 O60 -","4","1","","Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.","Isolation of reactive Ln(ii) complexes with C<sub>5</sub>H<sub>4</sub>Me ligands (Cp<sup>Me</sup>) using inverse sandwich countercations: synthesis and structure of [(18-crown-6)K(μ-Cp<sup>Me</sup>)K(18-crown-6)][Cp<sup>Me</sup><sub>3</sub>Ln<sup>II</sup>] (Ln = Tb, Ho).","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17285","17290","10.1039/c8dt03890b","","","0.71073","MoKα","","0.0617","0.0398","","","0.0904","0.0995","","","","","","1.022","","","","has coordinates,has disorder","229717","2020-10-21","18:00:00",""
"7048076","9.593","0.003","26.141","0.009","25.231","0.008","90","","90.774","0.004","90","","6327","4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H100 K2 O15 Tb -","- C60 H100 K2 O15 Tb -","- C240 H400 K8 O60 Tb4 -","4","1","","Huh, Daniel N.; Ziller, Joseph W.; Evans, William J.","Isolation of reactive Ln(ii) complexes with C<sub>5</sub>H<sub>4</sub>Me ligands (Cp<sup>Me</sup>) using inverse sandwich countercations: synthesis and structure of [(18-crown-6)K(μ-Cp<sup>Me</sup>)K(18-crown-6)][Cp<sup>Me</sup><sub>3</sub>Ln<sup>II</sup>] (Ln = Tb, Ho).","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17285","17290","10.1039/c8dt03890b","","","0.71073","MoKα","","0.0565","0.0389","","","0.0886","0.0959","","","","","","1.046","","","","has coordinates,has disorder","229717","2020-10-21","18:00:00",""
"7048079","21.3014","0.0002","8.0066","0.0001","23.77","0.0003","90","","99.984","0.001","90","","3992.62","0.08","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C92 H108 Cs Eu O8 -","- C92 H108 Cs Eu O8 -","- C184 H216 Cs2 Eu2 O16 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0297","0.0277","","","0.0688","0.0709","","","","","","1.004","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048080","15.0498","0.0001","20.7837","0.0001","19.1261","0.0002","90","","110.583","0.001","90","","5600.57","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C124 H146 Eu2 O20 -","- C124 H146 Eu2 O20 -","- C248 H292 Eu4 O40 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.0359","0.0289","","","0.0667","0.0707","","","","","","1","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048081","18.0271","0.0003","14.4367","0.0002","34.8079","0.0003","90","","102.091","0.001","90","","8857.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C97 H106 O15 Yb2 -","- C97 H102 O15 Yb2 -","- C388 H408 O60 Yb8 -","4","1","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.0727","0.0696","","","0.1772","0.1785","","","","","","1.25","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048082","14.6365","0.0007","29.8941","0.0014","7.4973","0.0007","90","","90","","90","","3280.4","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H76 K O8 Yb -","- C76 H76 K O8 Yb -","- C152 H152 K2 O16 Yb2 -","2","0.25","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.1251","0.0851","","","0.2296","0.2649","","","","","","1.009","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048083","30.1708","0.001","8.3962","0.0001","14.929","0.0009","90","","118.445","0.004","90","","3325.3","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C78 H84 Cs O10 Yb -","- C78 H84 Cs O10 Yb -","- C156 H168 Cs2 O20 Yb2 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0391","0.0368","","","0.1007","0.1029","","","","","","1","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048084","12.7501","0.0003","10.0565","0.0002","22.7503","0.0005","90","","97.672","0.002","90","","2890.96","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 O3 -","- C34 H40 O3 -","- C136 H160 O12 -","4","1","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.0642","0.0438","","","0.1048","0.1183","","","","","","1.002","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048085","14.7842","0.0003","29.7258","0.0005","7.5735","0.0002","90","","90","","90","","3328.34","0.12","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C76 H76 Cs Eu O8 -","- C76 H76 Cs Eu O8 -","- C152 H152 Cs2 Eu2 O16 -","2","0.25","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0617","0.0505","","","0.1589","0.1661","","","","","","1.002","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048086","15.0467","0.0001","20.8306","0.0001","19.1237","0.0002","90","","110.933","0.001","90","","5598.37","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C124 H146 O20 Tb2 -","- C124 H146 O20 Tb2 -","- C248 H292 O40 Tb4 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.0274","0.0241","","","0.0607","0.0628","","","","","","1.002","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048087","27.6844","0.0003","12.2823","0.0001","30.1388","0.0003","90","","105.316","0.001","90","","9884.07","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H61 O7 Yb -","- C58 H61 O7 Yb -","- C464 H488 O56 Yb8 -","8","2","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0586","0.0449","","","0.1146","0.1231","","","","","","1.002","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048088","17.168","0.0005","17.4332","0.0004","18.4379","0.0003","88.513","0.002","80.968","0.002","65.713","0.002","4963","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C228 H228 Cs2 Eu2 O26 -","- C228 H228 Cs2 Eu2 O26 -","- C228 H228 Cs2 Eu2 O26 -","1","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","1.54178","CuKα","","0.0871","0.0707","","","0.1979","0.2161","","","","","","1.034","","","","has coordinates,has disorder","229716","2020-10-21","18:00:00",""
"7048089","17.157","0.0002","14.8841","0.0001","19.6698","0.0002","90","","108.494","0.001","90","","4763.6","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C114 H114 O12 Yb2 -","- C114 H114 O12 Yb2 -","- C228 H228 O24 Yb4 -","2","0.5","","Abad Galán, Laura; Sobolev, Alexandre N.; Zysman-Colman, Eli; Ogden, Mark I.; Massi, Massimiliano","Lanthanoid complexes supported by retro-Claisen condensation products of β-triketonates.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17469","17478","10.1039/c8dt03585g","","","0.71073","MoKα","","0.0631","0.0391","","","0.0841","0.0935","","","","","","1.003","","","","has coordinates","229716","2020-10-21","18:00:00",""
"7048090","20.3854","0.0006","13.8382","0.0006","17.0652","0.0007","90","","118.457","0.003","90","","4232.4","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl4 Co3 F2 N12 -","- C42 H36 Cl4 Co3 F2 N12 -","- C168 H144 Cl16 Co12 F8 N48 -","4","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0416","0.034","","","0.0918","0.0968","","","","","","1.056","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048091","20.4657","0.0015","13.9159","0.0008","17.1718","0.0012","90","","118.216","0.002","90","","4309.4","0.5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl4 Co3 F2 N12 -","- C42 H36 Cl4 Co3 F2 N12 -","- C168 H144 Cl16 Co12 F8 N48 -","4","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0731","0.0459","","","0.1169","0.1328","","","","","","1.035","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048092","15.9782","0.0017","15.8417","0.0018","17.11","0.002","90","","98.357","0.005","90","","4284.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co3 N12 O -","- C44 H42 Cl2 Co3 N12 O -","- C176 H168 Cl8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0637","0.0371","","","0.0868","0.0985","","","","","","1.031","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048093","11.5876","0.0004","14.3205","0.0005","17.858","0.0005","71.833","0.001","76.57","0.001","67.623","0.001","2581.78","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 B Cl8 Co3 F6 N12 -","- C44 H40 B Cl8 Co3 F6 N12 -","- C88 H80 B2 Cl16 Co6 F12 N24 -","2","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0542","0.0423","","","0.1116","0.1175","","","","","","1.02","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048094","15.8217","0.0014","15.6581","0.0012","16.9215","0.0014","90","","98.916","0.003","90","","4141.4","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co3 N12 O -","- C44 H42 Cl2 Co3 N12 O -","- C176 H168 Cl8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0315","0.0246","","","0.0587","0.0622","","","","","","1.006","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048095","20.362","0.005","13.838","0.003","17.1","0.007","90","","118.721","0.008","90","","4225","2","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl4 Co3 F2 N12 -","- C42 H36 Cl4 Co3 F2 N12 -","- C168 H144 Cl16 Co12 F8 N48 -","4","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0287","0.0248","","","0.0626","0.0649","","","","","","1.033","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048096","15.8035","0.0008","15.641","0.0008","16.9161","0.0008","90","","98.981","0.002","90","","4130.1","0.4","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co3 N12 O -","- C44 H42 Cl2 Co3 N12 O -","- C176 H168 Cl8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0238","0.0219","","","0.0539","0.055","","","","","","1.055","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048097","13.0708","0.0007","11.5118","0.0006","14.2242","0.0008","90","","94.58","0.002","90","","2133.5","0.2","120","2","120","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 Cl2 Co3 I2 N12 -","- C42 H36 Cl2 Co3 I2 N12 -","- C84 H72 Cl4 Co6 I4 N24 -","2","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0295","0.0226","","","0.0505","0.0534","","","","","","1.043","","","","has coordinates,has disorder","229633","2020-10-21","18:00:00",""
"7048098","16.1426","0.0014","15.8923","0.0014","17.1821","0.0015","90","","99.607","0.004","90","","4346.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Br2 Co3 N12 O -","- C44 H42 Br2 Co3 N12 O -","- C176 H168 Br8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0606","0.0431","","","0.1293","0.1427","","","","","","1.025","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048099","16.0223","0.0003","15.7356","0.0003","17.0502","0.0003","90","","100.446","0.001","90","","4227.46","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Br2 Co3 N12 O -","- C44 H42 Br2 Co3 N12 O -","- C176 H168 Br8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.043","0.0291","","","0.0685","0.0727","","","","","","1.028","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048100","37.3975","0.0017","12.7054","0.0005","18.998","0.0008","90","","91.748","0.002","90","","9022.7","0.7","240","2","240","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co3 I2 N12 O -","- C44 H42 Co3 I2 N12 O -","- C352 H336 Co24 I16 N96 O8 -","8","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0259","0.0212","","","0.0482","0.0506","","","","","","1.018","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048101","13.127","0.003","11.755","0.002","14.317","0.003","90","","94.369","0.008","90","","2202.8","0.8","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 Cl2 Co3 I2 N12 -","- C42 H36 Cl2 Co3 I2 N12 -","- C84 H72 Cl4 Co6 I4 N24 -","2","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0405","0.0267","","","0.0631","0.0694","","","","","","1.019","","","","has coordinates,has disorder","229633","2020-10-21","18:00:00",""
"7048102","16.0028","0.0004","15.7192","0.0004","17.0322","0.0004","90","","100.48","0.001","90","","4213","0.18","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Br2 Co3 N12 O -","- C44 H42 Br2 Co3 N12 O -","- C176 H168 Br8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0355","0.0263","","","0.0655","0.0682","","","","","","1.06","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048103","37.533","0.009","12.746","0.006","19.056","0.002","90","","91.606","0.01","90","","9113","5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co3 I2 N12 O -","- C44 H42 Co3 I2 N12 O -","- C352 H336 Co24 I16 N96 O8 -","8","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0984","0.0493","","","0.083","0.1036","","","","","","1.127","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048104","37.28","0.004","12.6433","0.0011","18.8935","0.0019","90","","91.748","0.005","90","","8901.2","1.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co3 I2 N12 O -","- C44 H42 Co3 I2 N12 O -","- C352 H336 Co24 I16 N96 O8 -","8","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0715","0.0371","","","0.0675","0.077","","","","","","1.029","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048105","13.0572","0.0005","11.4574","0.0004","14.2468","0.0005","90","","94.467","0.002","90","","2124.87","0.13","85","2","85","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 Cl2 Co3 I2 N12 -","- C42 H36 Cl2 Co3 I2 N12 -","- C84 H72 Cl4 Co6 I4 N24 -","2","0.5","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.026","0.0211","","","0.0486","0.0506","","","","","","1.036","","","","has coordinates,has disorder","229633","2020-10-21","18:00:00",""
"7048106","16.052","0.0012","15.9094","0.0011","17.1371","0.0011","90","","97.995","0.003","90","","4333.9","0.5","350","2","350","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co3 N12 O -","- C44 H42 Cl2 Co3 N12 O -","- C176 H168 Cl8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0664","0.0404","","","0.1038","0.1162","","","","","","1.04","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048107","16.1914","0.0013","15.9355","0.0012","17.2266","0.0014","90","","99.293","0.004","90","","4386.4","0.6","350","2","350","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Br2 Co3 N12 O -","- C44 H42 Br2 Co3 N12 O -","- C176 H168 Br8 Co12 N48 O4 -","4","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0697","0.0491","","","0.1389","0.1579","","","","","","1.035","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048108","37.112","0.003","12.6154","0.0009","18.8581","0.0014","90","","91.526","0.004","90","","8825.9","1.2","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Co3 I2 N12 O -","- C44 H42 Co3 I2 N12 O -","- C352 H336 Co24 I16 N96 O8 -","8","1","","Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A.","Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","46","16798","16806","10.1039/c8dt03833c","","","0.71073","MoKα","","0.0297","0.0231","","","0.0499","0.0524","","","","","","1.054","","","","has coordinates","229633","2020-10-21","18:00:00",""
"7048109","12.7212","0.0004","7.8655","0.0003","37.5174","0.0014","90","","91.927","0.003","90","","3751.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 B2 F4 N10 -","- C42 H28 B2 F4 N10 -","- C168 H112 B8 F16 N40 -","4","1","","Paitandi, Rajendra Prasad; Sharma, Vinay; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Mobin, Shaikh M.; Pandey, Daya Shankar","Pyrazole appended quinoline-BODIPY based arene ruthenium complexes: their anticancer activity and potential applications in cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17500","17514","10.1039/c8dt02947d","","","1.54184","CuKα","","0.0625","0.0495","","","0.1244","0.136","","","","","","0.965","","","","has coordinates","229708","2020-10-21","18:00:00",""
"7048110","10.813","0.0015","17.966","0.002","14.1332","0.0018","90","","100.772","0.004","90","","2697.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 B Cl F8 N5 P Ru -","- C27 H20 B Cl F8 N5 P Ru -","- C108 H80 B4 Cl4 F32 N20 P4 Ru4 -","4","1","","Paitandi, Rajendra Prasad; Sharma, Vinay; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Mobin, Shaikh M.; Pandey, Daya Shankar","Pyrazole appended quinoline-BODIPY based arene ruthenium complexes: their anticancer activity and potential applications in cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17500","17514","10.1039/c8dt02947d","","","0.71073","MoKα","","0.0636","0.0516","","","0.1215","0.1289","","","","","","1.05","","","","has coordinates","229708","2020-10-21","18:00:00",""
"7048111","13.762","0.0015","16.0418","0.0018","14.775","0.0018","90","","90.016","0.003","90","","3261.8","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B Cl F8 N5 O P Ru -","- C32 H30 B Cl F8 N5 O P Ru -","- C128 H120 B4 Cl4 F32 N20 O4 P4 Ru4 -","4","1","","Paitandi, Rajendra Prasad; Sharma, Vinay; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Mobin, Shaikh M.; Pandey, Daya Shankar","Pyrazole appended quinoline-BODIPY based arene ruthenium complexes: their anticancer activity and potential applications in cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17500","17514","10.1039/c8dt02947d","","","0.71073","MoKα","","0.0402","0.03","","","0.0703","0.0757","","","","","","0.988","","","","has coordinates","229708","2020-10-21","18:00:00",""
"7048112","14.0995","0.0004","16.9713","0.0006","25.9304","0.0008","90","","90","","90","","6204.8","0.3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Cu2 Dy2 N10 O18 -","- C64 H56 Cu2 Dy2 N10 O18 -","- C256 H224 Cu8 Dy8 N40 O72 -","4","0.5","","Kumar, Prashant; Griffiths, Kieran; Anson, Christopher E.; Powell, Annie K.; Kostakis, George E.","A tetranuclear CuDy coordination cluster as a Suzuki (C-C) coupling reaction promoter.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17202","17205","10.1039/c8dt04371j","","x-ray","1.54184","CuKα","","0.0767","0.0522","","","0.1183","0.135","","","","","","1.045","","","","has coordinates","229713","2020-10-21","18:00:00",""
"7048113","8.6523","0.0001","9.5168","0.0001","22.296","0.0003","101.586","0.001","98.659","0.001","91.154","0.001","1775.59","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H51 Cl4 N3 O3 Pt -","- C31 H51 Cl4 N3 O3 Pt -","- C62 H102 Cl8 N6 O6 Pt2 -","2","1","","Gimeno-Prat, Antonio; Cortés-Sanchón, Adrián; Martín, Antonio; Baya, Miguel; Casas, José M","Platinum-mediated monohydration of SO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16846","16849","10.1039/c8dt04169e","","","0.71073","MoKα","","0.0207","0.0177","","","0.0403","0.0407","","","","","","1.03","","","","has coordinates","229675","2020-10-21","18:00:00",""
"7048114","9.61808","0.00014","9.79714","0.00012","18.71519","0.00018","75.5405","0.0009","87.5246","0.001","75.2855","0.0011","1651.27","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H50 Cl N3 O5 Pt S -","- C30 H50 Cl N3 O5 Pt S -","- C60 H100 Cl2 N6 O10 Pt2 S2 -","2","1","","Gimeno-Prat, Antonio; Cortés-Sanchón, Adrián; Martín, Antonio; Baya, Miguel; Casas, José M","Platinum-mediated monohydration of SO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16846","16849","10.1039/c8dt04169e","","","0.71073","MoKα","","0.0181","0.0171","","","0.0416","0.042","","","","","","1.028","","","","has coordinates","229675","2020-10-21","18:00:00",""
"7048115","10.697","0.0003","10.8385","0.0004","26.5087","0.0009","90","","98.916","0.002","90","","3036.27","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[N,N-diethyl-N`-2-naphthoylthioureato] lead(II)","","- C32 H34 N4 O2 Pb S2 -","- C32 H34 N4 O2 Pb S2 -","- C128 H136 N16 O8 Pb4 S8 -","4","1","","Ezenwa, Tagbo Emmanuel; McNaughter, Paul D.; Raftery, James; Lewis, David J.; O'Brien, Paul","Full compositional control of PbS<sub>x</sub>Se<sub>1-x</sub> thin films by the use of acylchalcogourato lead(ii) complexes as precursors for AACVD.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16938","16943","10.1039/c8dt03443e","","","1.54178","CuKα","","0.0388","0.0348","","","0.0916","0.0938","","","","","","1.151","","","","has coordinates,has disorder","229686","2020-10-21","18:00:00",""
"7048116","12.577","0.002","16.039","0.003","15.838","0.002","90","","105.293","0.004","90","","3081.7","0.9","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H88 Co2 N8 -","- C66 H88 Co2 N8 -","- C132 H176 Co4 N16 -","2","0.5","","Wang, Yichen; Li, Jing; Zhang, Li; Chen, Chao; Feng, Rui; Zhao, Yue; Zhang, Yi-Quan; Tan, Gengwen; Song, You; Wang, Xinping","Magnetic on-off switching in redox non-innocent ligand bridged binuclear cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17211","17215","10.1039/c8dt04157a","","","0.71073","MoKα","","0.0786","0.0441","","","0.0875","0.1019","","","","","","1.011","","","","has coordinates","229718","2020-10-21","18:00:00",""
"7048117","15.2751","0.0006","16.3305","0.0006","20.2692","0.0007","84.746","0.001","76.353","0.001","72.517","0.001","4685.3","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H116 B Co2 N8 O -","- C94 H116 B Co2 N8 O -","- C188 H232 B2 Co4 N16 O2 -","2","1","","Wang, Yichen; Li, Jing; Zhang, Li; Chen, Chao; Feng, Rui; Zhao, Yue; Zhang, Yi-Quan; Tan, Gengwen; Song, You; Wang, Xinping","Magnetic on-off switching in redox non-innocent ligand bridged binuclear cobalt complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17211","17215","10.1039/c8dt04157a","","","0.71073","MoKα","","0.0582","0.0412","","","0.1017","0.1111","","","","","","1.037","","","","has coordinates,has disorder","229718","2020-10-21","18:00:00",""
"7048118","12.5633","0.0001","12.0997","0.0001","18.4978","0.0002","90","","97.7708","0.0006","90","","2786.07","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B20 N2 O -","- C18 H30 B20 N2 O -","- C72 H120 B80 N8 O4 -","4","1","","Nghia, Nguyen Van; Oh, Jihun; Sujith, Surendran; Jung, Jaehoon; Lee, Min Hyung","Tuning the photophysical properties of carboranyl luminophores by closo- to nido-carborane conversion and application to OFF-ON fluoride sensing.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17441","17449","10.1039/c8dt03771j","","","0.71073","MoKα","","0.0706","0.0539","","","0.1418","0.1556","","","","","","1.041","","","","has coordinates","229719","2020-10-21","18:00:00",""
"7048119","12.2157","0.0013","14.6041","0.0013","21.186","0.002","76.076","0.006","76.307","0.004","89.934","0.007","3558","0.6","120","","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H108 N2 Ni O2.7 S10 -","- C68 H108 N2 Ni O2.7 S10 -","- C136 H216 N4 Ni2 O5.4 S20 -","2","1","","Wright, Iain A.; Wilson, Claire; Coles, Simon J.; Skabara, Peter J.","Broadband near-IR absorbing Au-dithiolene complexes bearing redox-active oligothiophene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","107","116","10.1039/c8dt03915a","","","0.71073","MoKα","","0.3281","0.1625","","","0.2712","0.3599","","","","","","1.082","","","","has coordinates,has disorder","223939","2020-10-21","18:00:00",""
"7048120","9.5279","0.0003","12.243","0.0004","12.4761","0.0004","105.14","0.001","111.771","0.001","105.415","0.001","1193.08","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 Br N2 Ni S -","- C23 H31 Br N2 Ni S -","- C46 H62 Br2 N4 Ni2 S2 -","2","1","","Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent","Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17134","17145","10.1039/c8dt03882a","","","0.71073","MoKα","","0.048","0.035","","","0.0849","0.0937","","","","","","1.026","","","","has coordinates,has disorder","229677","2020-10-21","18:00:00",""
"7048121","9.2425","0.0002","15.5464","0.0004","16.5839","0.0005","90","","95.409","0.001","90","","2372.29","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 F6 N2 Ni P S -","- C21 H27 F6 N2 Ni P S -","- C84 H108 F24 N8 Ni4 P4 S4 -","4","1","","Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent","Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17134","17145","10.1039/c8dt03882a","","","1.54178","CuKα","","0.0638","0.0563","","","0.1446","0.151","","","","","","1.049","","","","has coordinates,has disorder","229677","2020-10-21","18:00:00",""
"7048122","12.2564","0.0003","15.461","0.0004","27.1428","0.0007","90","","90","","90","","5143.5","0.2","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H31 F6 N2 Ni P S -","- C23 H31 F6 N2 Ni P S -","- C184 H248 F48 N16 Ni8 P8 S8 -","8","1","","Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent","Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17134","17145","10.1039/c8dt03882a","","","0.71073","MoKα","","0.0638","0.0377","","","0.0791","0.0924","","","","","","1.082","","","","has coordinates","229677","2020-10-21","18:00:00",""
"7048123","9.561","0.004","15.486","0.006","16.237","0.005","90","","113.976","0.017","90","","2196.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br N2 Ni S -","- C23 H23 Br N2 Ni S -","- C92 H92 Br4 N8 Ni4 S4 -","4","1","","Ulm, Franck; Poblador-Bahamonde, Amalia I; Choppin, Sabine; Bellemin-Laponnaz, Stéphane; Chetcuti, Michael J.; Achard, Thierry; Ritleng, Vincent","Synthesis, characterization, and catalytic application in aldehyde hydrosilylation of half-sandwich nickel complexes bearing (κ<sup>1</sup>-C)- and hemilabile (κ<sup>2</sup>-C,S)-thioether-functionalised NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17134","17145","10.1039/c8dt03882a","","","0.71073","MoKα","","0.0765","0.0409","","","0.0888","0.1096","","","","","","1.02","","","","has coordinates","229677","2020-10-21","18:00:00",""
"7048124","12.2382","0.0004","27.6761","0.001","7.7791","0.0003","90","","113.565","0.002","90","","2415.1","0.15","100","2","100","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C37 H44 Ag2 B0 F3 N18 O6 S -","- C33 H34 Ag2 F3 N18 O5 S -","- C66 H68 Ag4 F6 N36 O10 S2 -","2","0.5","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.0526","0.0426","","","0.0925","0.0972","","","","","","1.017","","","","has coordinates","229687","2020-10-21","18:00:00",""
"7048125","7.7191","0.0002","11.2092","0.0003","11.6297","0.0003","75.435","0.002","89.899","0.002","86.181","0.002","971.64","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H17 B F4 Fe0.5 N9 O -","- C16 H17 B F4 Fe0.5 N9 O -","- C32 H34 B2 F8 Fe N18 O2 -","2","1","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.045","0.0373","","","0.0965","0.1016","","","","","","1.048","","","","has coordinates,has disorder","229687","2020-10-21","18:00:00",""
"7048126","8.158","0.0002","11.6246","0.0003","15.248","0.0004","99.275","0.001","104.487","0.002","100.988","0.002","1340.78","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H23 Cl4 N9 O2 Pd2 S -","- C18 H23 Cl4 N9 O2 Pd2 S -","- C36 H46 Cl8 N18 O4 Pd4 S2 -","2","1","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.0298","0.0254","","","0.0614","0.0646","","","","","","1.085","","","","has coordinates","229687","2020-10-21","18:00:00",""
"7048127","11.9228","0.0005","13.0749","0.0005","14.3672","0.0006","78.345","0.002","84.386","0.002","81.075","0.002","2161.84","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H34 Ag B3 F12 Fe N18 O2 -","- C32 H34 Ag B3 F12 Fe N18 O2 -","- C64 H68 Ag2 B6 F24 Fe2 N36 O4 -","2","1","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.0317","0.0261","","","0.0615","0.0657","","","","","","1.033","","","","has coordinates","229687","2020-10-21","18:00:00",""
"7048128","10.4206","0.0004","13.4302","0.0005","13.6824","0.0006","63.05","0.002","78.311","0.002","71.078","0.002","1611.15","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Br2 N9 O7 Re2 -","- C22 H17 Br2 N9 O7 Re2 -","- C44 H34 Br4 N18 O14 Re4 -","2","1","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.0226","0.0218","","","0.0523","0.0527","","","","","","1.117","","","","has coordinates","229687","2020-10-21","18:00:00",""
"7048129","13.565","0.002","14.327","0.002","17.823","0.002","70.405","0.003","69.494","0.002","62.654","0.002","2817.7","0.7","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H59 Cu F6 Ir N8 P -","- C60 H59 Cu F6 Ir N8 P -","- C120 H118 Cu2 F12 Ir2 N16 P2 -","2","1","","Shi, Chao; Huang, Manli; Li, Qiuxia; Xie, Guohua; Yang, Chuluo; Yuan, Aihua","A Cu-NHC based phosphorescent binuclear iridium(iii)/copper(i) complex with an unpredictable near-linear two-coordination mode.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17299","17303","10.1039/c8dt04007a","","","0.71073","MoKα","","0.0838","0.0549","","","0.0808","0.0864","","","","","","1.041","","","","has coordinates","229723","2020-10-21","18:00:00",""
"7048130","12.387","0.0006","34.33","0.002","18.8754","0.0011","90","","128.432","0.004","90","","6287.7","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H68.5 B2 Fe N7.5 -","- C78 H68.5 B2 Fe N7.5 -","- C312 H274 B8 Fe4 N30 -","4","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1268","0.0777","","","0.127","0.1464","","","","","","1.075","","","","has coordinates,has disorder","223931","2020-10-21","18:00:00",""
"7048131","12.2941","0.0004","33.9568","0.0011","19.028","0.0008","90","","129.852","0.003","90","","6098.3","0.5","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H64 B2 Fe N6 -","- C75 H64 B2 Fe N6 -","- C300 H256 B8 Fe4 N24 -","4","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1332","0.0956","","","0.2","0.2231","","","","","","1.199","","","","has coordinates","223931","2020-10-21","18:00:00",""
"7048132","12.3225","0.0005","34.036","0.0014","19.0462","0.0006","90","","129.769","0.002","90","","6139.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H64 B2 Fe N6 -","- C75 H64 B2 Fe N6 -","- C300 H256 B8 Fe4 N24 -","4","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1006","0.064","","","0.1751","0.2198","","","","","","1.025","","","","has coordinates","223931","2020-10-21","18:00:00",""
"7048133","35.1941","0.0015","19.0227","0.0006","38.5627","0.0011","90","","90","","90","","25817.2","1.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C159 H146 B4 Fe2 N12 O3 -","- C159 H146 B4 Fe2 N12 O3 -","- C1272 H1168 B32 Fe16 N96 O24 -","8","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1267","0.0998","","","0.3002","0.3262","","","","","","1.013","","","","has coordinates,has disorder","223931","2020-10-21","18:00:00",""
"7048134","12.3622","0.0006","34.072","0.002","19.1112","0.0011","90","","129.397","0.004","90","","6220.6","0.7","300","2","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H64 B2 Fe N6 -","- C75 H64 B2 Fe N6 -","- C300 H256 B8 Fe4 N24 -","4","1","","Yang, Feng-Lei; Chen, Xin; Wu, Wen-Hao; Zhang, Jing-Hang; Zhao, Xiang-Mei; Shi, Yan-Hui; Shen, Fei","Spin switching in tris(8-aminoquinoline)iron(ii)(BPh<sub>4</sub>)<sub>2</sub>: quantitative guest-losing dependent spin crossover properties and single-crystal-to-single-crystal transformation.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","231","241","10.1039/c8dt03584a","","","0.71073","MoKα","","0.1666","0.0992","","","0.1475","0.1698","","","","","","1.146","","","","has coordinates,has disorder","223931","2020-10-21","18:00:00",""
"7048135","14.0436","0.0006","7.426","0.0003","18.0722","0.0008","90","","107.725","0.002","90","","1795.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 O18 S3 Tb -","- C30 H39 O18 S3 Tb -","- C60 H78 O36 S6 Tb2 -","2","1","","Peng, Guo; Zhang, Ying-Ying; Li, Bo; Sun, Xiao-Fan; Cai, Hong-Ling; Li, De-Jing; Gu, Zhi-Gang; Kostakis, George E.","Single molecule magnetic behaviour in lanthanide naphthalenesulfonate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17349","17356","10.1039/c8dt03613f","","","0.71073","MoKα","","0.0444","0.0325","","","0.0493","0.0521","","","","","","1.042","","","","has coordinates","229727","2020-10-21","18:00:00",""
"7048136","10.0557","0.0004","12.7534","0.0005","22.0808","0.0008","73.488","0.003","85.53","0.003","72.201","0.004","2584.88","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Cl4 Eu F4 N4 Na O16 -","- C52 H40 Cl4 Eu F4 N4 Na O16 -","- C104 H80 Cl8 Eu2 F8 N8 Na2 O32 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0443","0.0379","","","0.0852","0.0902","","","","","","1.005","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048137","10.0279","0.0003","12.7769","0.0004","22.0478","0.0007","73.703","0.003","86.366","0.002","72.703","0.003","2588.14","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 F4 K N4 O15 Pr -","- C52 H38 Cl4 F4 K N4 O15 Pr -","- C104 H76 Cl8 F8 K2 N8 O30 Pr2 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0441","0.0382","","","0.0795","0.0819","","","","","","1.057","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048138","10.0564","0.0002","12.7324","0.0004","22.0394","0.0007","73.58","0.003","85.371","0.002","72.185","0.002","2577.03","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Cl4 F4 N4 Na O16 Tb -","- C52 H40 Cl4 F4 N4 Na O16 Tb -","- C104 H80 Cl8 F8 N8 Na2 O32 Tb2 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0461","0.0397","","","0.0955","0.1014","","","","","","1.006","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048139","10.0496","0.0003","12.7645","0.0004","21.6687","0.0007","74.538","0.003","86.7","0.003","73.095","0.003","2562.65","0.15","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 F4 K N4 O15 Tb -","- C52 H38 Cl4 F4 K N4 O15 Tb -","- C104 H76 Cl8 F8 K2 N8 O30 Tb2 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0442","0.0367","","","0.0833","0.088","","","","","","1.024","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048140","10.0685","0.0002","12.7366","0.0003","22.0035","0.0007","73.668","0.002","85.27","0.002","72.024","0.002","2575.63","0.12","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Cl4 F4 Ho N4 Na O16 -","- C52 H40 Cl4 F4 Ho N4 Na O16 -","- C104 H80 Cl8 F8 Ho2 N8 Na2 O32 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0396","0.0355","","","0.0907","0.0957","","","","","","1.006","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048141","10.0542","0.0005","12.7549","0.0007","21.7465","0.0012","74.531","0.005","86.276","0.004","72.965","0.005","2569.6","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 Dy F4 K N4 O15 -","- C52 H38 Cl4 Dy F4 K N4 O15 -","- C104 H76 Cl8 Dy2 F8 K2 N8 O30 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0766","0.0666","","","0.151","0.1567","","","","","","1.013","","","","has coordinates","229715","2020-10-21","18:00:00",""
"7048142","10.0569","0.0005","12.7687","0.0006","21.6123","0.0009","74.868","0.004","86.659","0.004","72.952","0.004","2560.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 Er F4 K N4 O15 -","- C52 H38 Cl4 Er F4 K N4 O15 -","- C104 H76 Cl8 Er2 F8 K2 N8 O30 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0764","0.0607","","","0.1415","0.1516","","","","","","1.083","","","","has coordinates","229715","2020-10-21","18:00:00",""
"7048143","10.0529","0.0002","12.7458","0.0003","22.0524","0.0005","73.527","0.002","85.433","0.002","72.228","0.002","2580.26","0.11","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H40 Cl4 F4 Gd N4 Na O16 -","- C52 H40 Cl4 F4 Gd N4 Na O16 -","- C104 H80 Cl8 F8 Gd2 N8 Na2 O32 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0341","0.032","","","0.0832","0.0855","","","","","","1.006","","","","has coordinates,has disorder","229715","2020-10-21","18:00:00",""
"7048144","10.0457","0.0004","12.7511","0.0005","21.569","0.0008","74.844","0.003","86.508","0.003","72.91","0.003","2548.62","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 F4 K N4 O15 Yb -","- C52 H38 Cl4 F4 K N4 O15 Yb -","- C104 H76 Cl8 F8 K2 N8 O30 Yb2 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0719","0.0588","","","0.1324","0.1395","","","","","","1.082","","","","has coordinates","229715","2020-10-21","18:00:00",""
"7048145","10.0373","0.0006","12.7525","0.0008","21.8207","0.0014","74.266","0.006","86.381","0.005","72.833","0.006","2568.2","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H38 Cl4 Eu F4 K N4 O15 -","- C52 H38 Cl4 Eu F4 K N4 O15 -","- C104 H76 Cl8 Eu2 F8 K2 N8 O30 -","2","1","","Zheng, Kai; Liu, Ziqi; Jiang, Yefei; Guo, Penghu; Li, Haoran; Zeng, Chenghui; Ng, Seik Weng; Zhong, Shengliang","Ultrahigh luminescence quantum yield lanthanide coordination polymer as a multifunctional sensor.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17432","17440","10.1039/c8dt03832e","","","0.71073","MoKα","","0.0652","0.0515","","","0.1289","0.1332","","","","","","1.039","","","","has coordinates","229715","2020-10-21","18:00:00",""
"7048146","11.6268","0.0004","12.1381","0.0005","13.2236","0.0004","88.667","0.003","70.775","0.003","64.619","0.004","1576.78","0.12","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C69 H93 N3 O P4 -","- C69 H93 N3 O P4 -","- C69 H93 N3 O P4 -","1","1","","Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.","Chiral [16]-ane P<sub>4</sub>N<sub>2</sub> macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16977","16984","10.1039/c8dt03214a","","","0.71073","MoKα","","0.0857","0.0519","","","0.1195","0.1282","","","","","","0.911","","","","has coordinates,has disorder","229688","2020-10-21","18:00:00",""
"7048147","9.601","0.007","33.967","0.015","13.081","0.004","90","","109.79","0.04","90","","4014","4","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1,9-bis((R,S)-α-methylbenzyl)-3,7,11,15-tetramesityl-1,9-diaza-3,7,11,15-(RSSR)-tetraphosphacyclohexadecane","","- C86 H106 N2 P4 -","- C86 H106 N2 P4 -","- C172 H212 N4 P8 -","2","0.5","","Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.","Chiral [16]-ane P<sub>4</sub>N<sub>2</sub> macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16977","16984","10.1039/c8dt03214a","","","1.54184","CuKα","","0.1159","0.0642","","","0.1796","0.2146","","","","","","1.076","","","","has coordinates","229688","2020-10-21","18:00:00",""
"7048148","11.3719","0.0003","12.9401","0.0005","13.1119","0.0005","105.891","0.003","109.761","0.003","90.192","0.003","1736.61","0.12","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H102 N2 O2 P4 -","- C78 H102 N2 O2 P4 -","- C78 H102 N2 O2 P4 -","1","0.5","","Musina, E. I.; Naumov, R. N.; Kanunnikov, K. B.; Dobrynin, A. B.; Gómez-Ruiz, S; Lönnecke, P; Hey-Hawkins, E; Karasik, A. A.; Sinyashin, O. G.","Chiral [16]-ane P<sub>4</sub>N<sub>2</sub> macrocycles: stereoselective synthesis and unexpected intermolecular exchange of endocyclic fragments.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16977","16984","10.1039/c8dt03214a","","","0.71073","MoKα","","0.0964","0.0742","","","0.191","0.2045","","","","","","1.056","","","","has coordinates,has disorder","229688","2020-10-21","18:00:00",""
"7048149","9.1067","0.0018","12.792","0.003","13.803","0.003","88.02","0.03","87.59","0.03","71.06","0.03","1519.2","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 Cl4 N4 P2 Pt2 -","- C66 H74 Cl4 N4 P2 Pt2 -","- C66 H74 Cl4 N4 P2 Pt2 -","1","0.5","","Rehm, Tobias; Rothemund, Matthias; Bär, Alexander; Dietel, Thomas; Kempe, Rhett; Kostrhunova, Hana; Brabec, Viktor; Kasparkova, Jana; Schobert, Rainer","N,N-Dialkylbenzimidazol-2-ylidene platinum complexes - effects of alkyl residues and ancillary cis-ligands on anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17367","17381","10.1039/c8dt03360a","","","0.71073","MoKα","","0.0183","0.0165","","","0.0395","0.04","","","","","","1.037","","","","has coordinates","229709","2020-10-21","18:00:00",""
"7048150","8.675","0.005","9.264","0.005","10.601","0.005","91.874","0.005","103.182","0.005","94.722","0.005","825.5","0.8","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H20 Cl2 N2 O Pt S -","- C13 H20 Cl2 N2 O Pt S -","- C26 H40 Cl4 N4 O2 Pt2 S2 -","2","1","","Rehm, Tobias; Rothemund, Matthias; Bär, Alexander; Dietel, Thomas; Kempe, Rhett; Kostrhunova, Hana; Brabec, Viktor; Kasparkova, Jana; Schobert, Rainer","N,N-Dialkylbenzimidazol-2-ylidene platinum complexes - effects of alkyl residues and ancillary cis-ligands on anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17367","17381","10.1039/c8dt03360a","","","0.71069","MoKα","","0.0449","0.0329","","","0.0758","0.0851","","","","","","1.032","","","","has coordinates","229709","2020-10-21","18:00:00",""
"7048151","12.578","0.005","10.79","0.005","32.126","0.005","90","0.005","94.531","0.005","90","0.005","4346","3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Cl2 N2 P2 Pt -","- C45 H40 Cl2 N2 P2 Pt -","- C180 H160 Cl8 N8 P8 Pt4 -","4","1","","Rehm, Tobias; Rothemund, Matthias; Bär, Alexander; Dietel, Thomas; Kempe, Rhett; Kostrhunova, Hana; Brabec, Viktor; Kasparkova, Jana; Schobert, Rainer","N,N-Dialkylbenzimidazol-2-ylidene platinum complexes - effects of alkyl residues and ancillary cis-ligands on anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17367","17381","10.1039/c8dt03360a","","","0.71073","MoKα","","0.1157","0.0718","","","0.1722","0.1903","","","","","","0.952","","","","has coordinates","229709","2020-10-21","18:00:00",""
"7048152","21.0227","0.0012","21.0227","0.0012","16.8234","0.0018","90","","90","","120","","6439","0.9","293","2","293","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C51 H30 In6 N6 O52 Tb3 -","- C51 H30 In6 N6 O52 Tb3 -","- C102 H60 In12 N12 O104 Tb6 -","2","0.166667","","Wang, Dongmei; Liu, Zihua; Xu, Lili; Li, Chunxia; Zhao, Dian; Ge, Genwu; Wang, Zhenling; Lin, Jun","A heterometallic metal-organic framework based on multi-nuclear clusters exhibiting high stability and selective gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","278","284","10.1039/c8dt03826k","","","0.71073","MoKα","","0.1289","0.102","","","0.3318","0.3744","","","","","","1.134","","","","has coordinates","223935","2020-10-21","18:00:00",""
"7048153","9.318","0.017","6.445","0.01","7.637","0.014","90","","117.77","0.02","90","","405.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H4 Mn2 O10 Sr V2 -","- Mn2 O10 Sr V2 -","- Mn4 O20 Sr2 V4 -","2","0.25","","Zhang, Su-Yun; Guo, Wen-Bin; He, Zhang-Zhen","Two spin-canted antiferromagnetic orderings and a field-induced metamagnetic transition in SrMn<sub>2</sub>(VO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","65","71","10.1039/c8dt03860k","","","0.71073","MoKα","","0.0636","0.0493","","","0.0937","0.1026","","","","","","1.004","","","","has coordinates","223929","2020-10-21","18:00:00",""
"7048154","14.5","0.003","17.702","0.004","29.025","0.006","90","","92.74","0.03","90","","7442","3","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H87 Co5 Dy4 N4 O50 -","- C36 H85 Co5 Dy4 N4 O50 -","- C144 H340 Co20 Dy16 N16 O200 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","0.71073","MoKα","","0.0783","0.0503","","","0.1114","0.1422","","","","","","1.124","","","","has coordinates","229694","2020-10-21","18:00:00",""
"7048155","13.3061","0.0003","28.4606","0.0008","21.2498","0.0008","90","","100.866","0.003","90","","7903","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.75 H99 Co5 Eu4 N2 O47.75 -","- C41.75 H98.25 Co5 Eu4 N2 O47.75 -","- C167 H393 Co20 Eu16 N8 O191 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","0.71073","MoKα","","0.127","0.0927","","","0.1759","0.1914","","","","","","1.13","","","","has coordinates,has disorder","229694","2020-10-21","18:00:00",""
"7048156","13.335","0.003","28.284","0.006","21.178","0.004","90","","101.85","0.03","90","","7817","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Eu4 N2 Ni5 O50 -","- C40 H86 Eu4 N2 Ni5 O47 -","- C160 H344 Eu16 N8 Ni20 O188 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","0.71073","MoKα","","0.0979","0.0747","","","0.1816","0.1943","","","","","","1.042","","","","has coordinates","229694","2020-10-21","18:00:00",""
"7048157","13.2406","0.0002","28.2759","0.0004","21.0581","0.0005","90","","101.082","0.002","90","","7736.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.67 H96.17 Dy4 N3 Ni5 O48.67 -","- C39.6667 H85 Dy4 N3 Ni5 O48.6667 -","- C158.667 H340 Dy16 N12 Ni20 O194.667 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","1.54178","CuKα","","0.1028","0.0799","","","0.1919","0.2114","","","","","","1.035","","","","has coordinates,has disorder","229694","2020-10-21","18:00:00",""
"7048158","14.4713","0.0005","17.6815","0.0008","28.8491","0.0008","90","","93.626","0.004","90","","7367","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H90 Gd4 N4 Ni5 O50 -","- C36 H89 Gd4 N4 Ni5 O50 -","- C144 H356 Gd16 N16 Ni20 O200 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","1.54178","CuKα","","0.0637","0.0484","","","0.1149","0.1275","","","","","","1.054","","","","has coordinates","229694","2020-10-21","18:00:00",""
"7048159","13.366","0.003","28.431","0.006","21.262","0.004","90","","101.45","0.03","90","","7919","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H96 Co5 Gd4 N2 O47 -","- C41 H86 Co5 Gd4 N2 O47 -","- C164 H344 Co20 Gd16 N8 O188 -","4","1","","Shao, Feng; Zhuang, Jia-Jia; Chen, Ming-Guang; Wang, Ning; Shi, Hai-Yan; Tong, Jia-Ping; Luo, Gang; Tao, Jun; Zheng, Lan-Sun","Facile and environmentally friendly synthesis of six heterometallic dumbbell-shaped MLn (M = Co, Ni; Ln = Eu, Gd, Dy) clusters as cryogenic magnetic coolants and molecular magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16850","16854","10.1039/c8dt04153a","","","0.71073","MoKα","","0.096","0.0747","","","0.1927","0.2074","","","","","","1.06","","","","has coordinates,has disorder","229694","2020-10-21","18:00:00",""
"7048160","13.6337","0.0009","26.2681","0.0017","7.716","0.0005","90","","90","","90","","2763.3","0.3","180","2","180.18","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H32 Au F6 N O P Sb -","- C25 H32 Au F6 N O P Sb -","- C100 H128 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0286","0.0276","","","0.0688","0.0695","","","","","","1.045","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048161","10.2962","0.0008","20.418","0.0017","15.2295","0.0012","90","","95.669","0.002","90","","3186","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Au F6 N O P Sb -","- C30 H36 Au F6 N O P Sb -","- C120 H144 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0566","0.0453","","","0.1062","0.1122","","","","","","1.069","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048162","13.3868","0.0009","16.4862","0.0011","15.8416","0.001","90","","99.779","0.001","90","","3445.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Au F6 N3 O Sb -","- C32 H41 Au F6 N3 O Sb -","- C128 H164 Au4 F24 N12 O4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.03","0.0215","","","0.0431","0.0456","","","","","","1.028","","","","has coordinates,has disorder","223942","2020-10-21","18:00:00",""
"7048163","9.4424","0.0007","24.5485","0.0017","14.4931","0.001","90","","104.18","0.001","90","","3257.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Au F6 N2 O P Sb -","- C30 H39 Au F6 N2 O P Sb -","- C120 H156 Au4 F24 N8 O4 P4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0332","0.0247","","","0.0451","0.0472","","","","","","1.044","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048164","22.3269","0.0018","10.4404","0.0008","27.953","0.002","90","","92.084","0.002","90","","6511.6","0.9","101","2","100.73","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 Au F9 N O P Sb -","- C29 H35 Au F9 N O P Sb -","- C232 H280 Au8 F72 N8 O8 P8 Sb8 -","8","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0437","0.0364","","","0.0907","0.0946","","","","","","1.029","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048165","10.7651","0.0004","10.8864","0.0004","14.9113","0.0006","105.131","0.001","107.565","0.001","99.519","0.001","1550.64","0.1","113","2","113.32","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H0.5 Au F5 N0.5 O0.5 P Sb -","- C29 H38 Au F6 N O2 P Sb -","- C58 H76 Au2 F12 N2 O4 P2 Sb2 -","2","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","","0.71073","MoKα","","0.0253","0.0199","","","0.0392","0.0405","","","","","","1.06","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048166","7.4853","0.0006","29.414","0.002","13.847","0.0011","90","","101.159","0.002","90","","2991.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Au F6 N O P Sb -","- C28 H36 Au F6 N O P Sb -","- C112 H144 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0343","0.0317","","","0.0638","0.0647","","","","","","1.065","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048167","12.6968","0.0008","13.6523","0.0009","15.5684","0.001","85.893","0.001","81.923","0.001","82.646","0.001","2645.9","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H48 Au2 F12 N2 O2 P2 Sb2 -","- C52 H48 Au2 F12 N2 O2 P2 Sb2 -","- C104 H96 Au4 F24 N4 O4 P4 Sb4 -","2","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.047","0.029","","","0.0499","0.0539","","","","","","1.027","","","","has coordinates,has disorder","223942","2020-10-21","18:00:00",""
"7048168","9.7725","0.0009","7.714","0.0008","18.4793","0.0018","90","","102.713","0.002","90","","1358.9","0.2","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Au Cl3 N2 O -","- C10 H12 Au Cl3 N2 O -","- C40 H48 Au4 Cl12 N8 O4 -","4","1","","Jónsson, Helgi Freyr; Fiksdahl, Anne","Studies on gold-nitrone systems.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","142","149","10.1039/c8dt04254c","","x-ray","0.71073","MoKα","","0.0229","0.0203","","","0.0453","0.0459","","","","","","1.178","","","","has coordinates","223942","2020-10-21","18:00:00",""
"7048169","10.648","0.002","18.182","0.004","12.408","0.003","90","","110.205","0.003","90","","2254.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N10 O22 Tb2 -","- C40 H36 N10 O22 Tb2 -","- C80 H72 N20 O44 Tb4 -","2","0.5","","Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro","Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17493","17499","10.1039/c8dt04049d","","","0.71073","MoKα","","0.0482","0.0353","","","0.0708","0.0767","","","","","","0.999","","","","has coordinates","229714","2020-10-21","18:00:00",""
"7048170","10.835","0.005","12.142","0.006","18.646","0.009","90","","105.818","0.007","90","","2360","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 N4 O6 Tb2 -","- C44 H48 Cl6 N4 O6 Tb2 -","- C88 H96 Cl12 N8 O12 Tb4 -","2","0.5","","Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro","Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17493","17499","10.1039/c8dt04049d","","","0.71073","MoKα","","0.1379","0.0787","","","0.1682","0.2197","","","","","","0.913","","","","has coordinates","229714","2020-10-21","18:00:00",""
"7048171","10.793","0.004","12.085","0.004","18.496","0.006","90","","105.298","0.005","90","","2327","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Cl6 N4 O6 Yb2 -","- C44 H48 Cl6 N4 O6 Yb2 -","- C88 H96 Cl12 N8 O12 Yb4 -","2","0.5","","Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro","Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17493","17499","10.1039/c8dt04049d","","","0.71073","MoKα","","0.0874","0.0575","","","0.135","0.1602","","","","","","1.058","","","","has coordinates","229714","2020-10-21","18:00:00",""
"7048172","10.614","0.005","18.172","0.008","12.413","0.006","90","","110.223","0.005","90","","2246.6","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N10 O22 Y2 -","- C40 H36 N10 O22 Y2 -","- C80 H72 N20 O44 Y4 -","2","0.5","","Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro","Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17493","17499","10.1039/c8dt04049d","","","0.71073","MoKα","","0.1318","0.0668","","","0.1002","0.1179","","","","","","1.027","","","","has coordinates","229714","2020-10-21","18:00:00",""
"7048173","10.6","0.003","18.102","0.004","12.383","0.003","90","","110.001","0.003","90","","2232.8","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N10 O22 Yb2 -","- C40 H36 N10 O22 Yb2 -","- C80 H72 N20 O44 Yb4 -","2","0.5","","Mandal, Leena; Biswas, Soumava; Cosquer, Goulven; Shen, Yongbing; Yamashita, Masahiro","Anion-driven structures and SMM behavior of dinuclear terbium and ytterbium complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17493","17499","10.1039/c8dt04049d","","","0.71073","MoKα","","0.0452","0.0316","","","0.064","0.0675","","","","","","1.006","","","","has coordinates","229714","2020-10-21","18:00:00",""
"7048174","10.711","0.0003","10.711","0.0003","6.8995","0.0003","90","","90","","120","","685.5","0.04","153","2","153","2","","","","","","","","5","P 63","P 6c","173","","","","- Ca4 Na3 O15 P3 Te -","- Ca4 Na3 O15 P3 Te -","- Ca8 Na6 O30 P6 Te2 -","2","0.333333","","Li, Zhuang; Zhang, Shengzi; Yin, Wenlong; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","Na<sub>3</sub>Ca<sub>4</sub>(TeO<sub>3</sub>)(PO<sub>4</sub>)<sub>3</sub>: a new noncentrosymmetric tellurite phosphate with fascinating multimember-ring architectures and intriguing nonlinear optical performance.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17198","17201","10.1039/c8dt04354j","","","0.71073","MoKα","","0.0409","0.0409","","","0.0965","0.0965","","","","","","1.196","","","","has coordinates","229729","2020-10-21","18:00:00",""
"7048175","6.0361","0.0003","8.7341","0.0005","9.488","0.0005","64.759","0.001","77.761","0.002","85.895","0.002","442.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 Eu O8 -","- C6 H6 Eu O8 -","- C12 H12 Eu2 O16 -","2","1","","Shi, Yangwei; Ye, Junwei; Qi, Ye; Akram, Muhammad Awais; Rauf, Abdul; Ning, Guiling","An anionic layered europium(iii) coordination polymer for solvent-dependent selective luminescence sensing of Fe<sup>3+</sup> and Cu<sup>2+</sup> ions and latent fingerprint detection.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17479","17485","10.1039/c8dt04042g","","","0.71073","MoKα","","0.0232","0.0215","","","0.0528","0.0541","","","","","","1.054","","","","has coordinates","229724","2020-10-21","18:00:00",""
"7048179","26.2689","0.0018","8.542","0.0006","17.5006","0.0012","90","","98.227","0.001","90","","3886.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 Cl N5 O4 Re -","- C16 H17 Cl N5 O4 Re -","- C128 H136 Cl8 N40 O32 Re8 -","8","1","","Popov, Damir A.; Luna, John M.; Orchanian, Nicholas M.; Haiges, Ralf; Downes, Courtney A.; Marinescu, Smaranda C.","A 2,2'-bipyridine-containing covalent organic framework bearing rhenium(i) tricarbonyl moieties for CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17450","17460","10.1039/c8dt00125a","","","0.71073","MoKα","","0.0163","0.0136","","","0.0308","0.0317","","","","","","1.029","","","","has coordinates,has disorder","229720","2020-10-21","18:00:00",""
"7048182","10.7711","0.0019","13.445","0.003","16.358","0.003","74.367","0.006","82.069","0.007","81.633","0.006","2244.8","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.88 H34.76 B Cl1.75 F12 N P -","- C49.877 H34.754 B Cl1.754 F12 N P -","- C99.754 H69.508 B2 Cl3.508 F24 N2 P2 -","2","1","","Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.","Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","133","141","10.1039/c8dt04070b","","","0.71073","MoKα","","0.1276","0.066","","","0.1587","0.1878","","","","","","1.028","","","","has coordinates,has disorder","223951","2020-10-21","18:00:00",""
"7048183","25.1437","0.0008","10.9915","0.0004","7.9724","0.0003","90","","90","","90","","2203.31","0.13","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 B F2 N -","- C27 H32 B F2 N -","- C108 H128 B4 F8 N4 -","4","1","","Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.","Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","133","141","10.1039/c8dt04070b","","","1.54178","CuKα","","0.0367","0.0347","","","0.0936","0.096","","","","","","1.036","","","","has coordinates","223951","2020-10-21","18:00:00",""
"7048184","31.615","0.003","11.1961","0.0009","22.1924","0.0018","90","","118.058","0.004","90","","6932.1","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H33.5 B F12 N O -","- C38.5 H33.5 B F12 N O -","- C308 H268 B8 F96 N8 O8 -","8","1","","Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.","Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","133","141","10.1039/c8dt04070b","","","0.71073","MoKα","","0.0937","0.0479","","","0.1049","0.1228","","","","","","1.017","","","","has coordinates,has disorder","223951","2020-10-21","18:00:00",""
"7048185","13.262","","18.495","","22.258","","89.11","","76.32","","89.97","","5303.91","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","penta(isonicotinato)-(acetato)-di(?3-hydroxo)-tetra-cobalt(ii)","","- C64 H50 Co8 N10 O28 -","- C64 H50 Co8 N10 O28 -","- C128 H100 Co16 N20 O56 -","2","1","","Zhou, Lei; Fan, Honghong; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Tetranuclear cobalt(ii)-isonicotinic acid frameworks: selective CO<sub>2</sub> capture, magnetic properties, and derived ""Co<sub>3</sub>O<sub>4</sub>"" exhibiting high performance in lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","296","303","10.1039/c8dt04054k","","","0.71073","MoKα","","0.1232","0.0788","","","0.1945","0.2133","","","","","","0.943","","","","has coordinates","223938","2020-10-21","18:00:00",""
"7048186","16.075","","18.529","","17.861","","90","","90.47","","90","","5319.79","","293","2","293","2","","","","","","","solvothermally","6","P 1 21/c 1","-P 2ybc","14","","tetra(isonicotinato)-di(N,N?-dimethylformamide)-di(sulfato)-tetra-cobalt(ii) N,N?-dimethylformamide solvate","","- C39 H51 Co4 N9 O21 S2 -","- C39 H51 Co4 N9 O21 S2 -","- C156 H204 Co16 N36 O84 S8 -","4","1","","Zhou, Lei; Fan, Honghong; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Tetranuclear cobalt(ii)-isonicotinic acid frameworks: selective CO<sub>2</sub> capture, magnetic properties, and derived ""Co<sub>3</sub>O<sub>4</sub>"" exhibiting high performance in lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","296","303","10.1039/c8dt04054k","","","0.71073","MoKα","","0.0924","0.0522","","","0.1057","0.1258","","","","","","1.037","","","","has coordinates","223938","2020-10-21","18:00:00",""
"7048188","12.156","0.003","22.481","0.003","9.293","0.002","90","","111.43","0.03","90","","2364","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N4 O4 Ti -","- C28 H20 N4 O4 Ti -","- C112 H80 N16 O16 Ti4 -","4","0.5","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.1191","0.0942","","","0.2415","0.2639","","","","","","1.025","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048189","22.427","0.003","9.1713","0.001","13.1051","0.0013","90","","105.189","0.011","90","","2601.4","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N4 O6 Ti -","- C30 H24 N4 O6 Ti -","- C120 H96 N16 O24 Ti4 -","4","0.5","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.1483","0.0681","","","0.1417","0.1886","","","","","","0.912","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048190","12.5348","0.0013","22.821","0.002","10.2744","0.0011","90","","107.227","0.011","90","","2807.2","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl2 N4 O4 Ti -","- C30 H22 Cl2 N4 O4 Ti -","- C120 H88 Cl8 N16 O16 Ti4 -","4","0.5","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.0767","0.048","","","0.1205","0.1368","","","","","","1.013","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048191","11.127","0.002","9.0733","0.0012","13.116","0.002","90","","99.543","0.017","90","","1305.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.0816","0.0511","","","0.1155","0.1306","","","","","","1.024","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048192","12.5941","0.0013","22.237","0.002","10.5358","0.0012","90","","107.237","0.012","90","","2818.1","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 O4 Ti -","- C32 H28 N4 O4 Ti -","- C128 H112 N16 O16 Ti4 -","4","0.5","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.1347","0.0855","","","0.2253","0.2576","","","","","","1.064","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048193","15.3453","0.0014","8.0522","0.0007","21.858","0.002","90","","102.079","0.01","90","","2641.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl2 N4 O6 Ti -","- C27 H22 Cl2 N4 O6 Ti -","- C108 H88 Cl8 N16 O24 Ti4 -","4","1","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.1756","0.0818","","","0.1366","0.1721","","","","","","1.024","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048194","8.4653","0.0007","10.9589","0.0007","30.08","0.003","90","","90","","90","","2790.5","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C128 H128 N16 O16 -","8","1","","Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.","Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","304","314","10.1039/c8dt03747g","","","0.71073","MoKα","","0.0749","0.0552","","","0.1362","0.1507","","","","","","1.087","","","","has coordinates","223950","2020-10-21","18:00:00",""
"7048195","6.4672","0.0008","9.7445","0.0015","11.8519","0.0017","90.853","0.012","105.314","0.012","107.173","0.012","684.76","0.18","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H48 Co N2 O10 -","- C22 H48 Co N2 O10 -","- C22 H48 Co N2 O10 -","1","0.5","","Sarto, Carolina; Rouzières, Mathieu; Liu, Jun-Liang; Bamberger, Heiko; van Slageren, Joris; Clérac, Rodolphe; Alborés, Pablo","Slow magnetization dynamics in Co(ii)/Co(iii) triethanolamine/pivalate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17055","17066","10.1039/c8dt04041a","","","0.71073","MoKα","","0.0776","0.0684","","","0.1723","0.1917","","","","","","1.08","","","","has coordinates","229696","2020-10-21","18:00:00",""
"7048196","11.9064","0.0007","15.7978","0.0009","15.8174","0.0009","87.099","0.005","71.868","0.005","82.971","0.005","2805.9","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H90 Co4 N3 O21 -","- C43 H90 Co4 N3 O21 -","- C86 H180 Co8 N6 O42 -","2","1","","Sarto, Carolina; Rouzières, Mathieu; Liu, Jun-Liang; Bamberger, Heiko; van Slageren, Joris; Clérac, Rodolphe; Alborés, Pablo","Slow magnetization dynamics in Co(ii)/Co(iii) triethanolamine/pivalate complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17055","17066","10.1039/c8dt04041a","","","0.71069","MoKα","","0.115","0.0847","","","0.2199","0.2517","","","","","","1.061","","","","has coordinates,has disorder","229696","2020-10-21","18:00:00",""
"7048197","28.1877","0.0007","14.254","0.0003","11.8552","0.0003","90","","91.0523","0.0011","90","","4762.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H65 Cl2 Ir2 N5 -","- C50 H65 Cl2 Ir2 N5 -","- C200 H260 Cl8 Ir8 N20 -","4","0.5","","Quezada-Miriel, Magdalena; Ochoa-Sanfelice, J Rubén; Mendoza-Tellez, Sebastian; Martinez-Otero, Diego; Asay, Matthew","Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17382","17391","10.1039/c8dt04181d","","","1.54178","CuKα","","0.0203","0.0201","","","0.0525","0.0526","","","","","","1.108","","","","has coordinates,has disorder","229711","2020-10-21","18:00:00",""
"7048198","7.91973","0.00009","37.0804","0.0005","11.65888","0.00013","90","","106.652","0.0005","90","","3280.24","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Br2 N4 O2 -","- C32 H44 Br2 N4 O2 -","- C128 H176 Br8 N16 O8 -","4","1","","Quezada-Miriel, Magdalena; Ochoa-Sanfelice, J Rubén; Mendoza-Tellez, Sebastian; Martinez-Otero, Diego; Asay, Matthew","Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17382","17391","10.1039/c8dt04181d","","","0.71073","MoKα","","0.0314","0.0266","","","0.0611","0.0627","","","","","","1.034","","","","has coordinates,has disorder","229711","2020-10-21","18:00:00",""
"7048199","11.8752","0.0002","12.8426","0.0002","15.1054","0.0002","94.7901","0.0005","99.9807","0.0005","100.92","0.0005","2211.58","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H115 Ag2 F12 N13 P2 -","- C86 H115 Ag2 F12 N13 P2 -","- C86 H115 Ag2 F12 N13 P2 -","1","0.5","","Quezada-Miriel, Magdalena; Ochoa-Sanfelice, J Rubén; Mendoza-Tellez, Sebastian; Martinez-Otero, Diego; Asay, Matthew","Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17382","17391","10.1039/c8dt04181d","","","0.71073","MoKα","","0.0204","0.0195","","","0.0505","0.0512","","","","","","1.038","","","","has coordinates,has disorder","229711","2020-10-21","18:00:00",""
"7048200","9.2559","0.0002","10.853","0.0002","20.0395","0.0005","98.4942","0.0011","90.4235","0.001","101.457","0.0009","1949.9","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H57.7 Br2 N4 O2.84 -","- C38 H57.686 Br2 N4 O2.843 -","- C76 H115.372 Br4 N8 O5.686 -","2","1","","Quezada-Miriel, Magdalena; Ochoa-Sanfelice, J Rubén; Mendoza-Tellez, Sebastian; Martinez-Otero, Diego; Asay, Matthew","Metalation behavior of a bis-saturated NHC ligand with a flexible m-xylyl linker.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17382","17391","10.1039/c8dt04181d","","","0.71073","MoKα","","0.0429","0.0387","","","0.1068","0.1086","","","","","","1.125","","","","has coordinates,has disorder","229711","2020-10-21","18:00:00",""
"7048201","12.5264","0.0003","15.3015","0.0004","25.0246","0.0007","103.432","0.001","93.064","0.001","92.022","0.001","4653","0.2","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H71 Ag4 F12 N16 O24 S4 -","- C79 H71 Ag4 F12 N16 O24 S4 -","- C158 H142 Ag8 F24 N32 O48 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.1034","0.0572","","","0.1308","0.1573","","","","","","1.025","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048202","12.1193","0.0013","15.7806","0.0017","24.659","0.003","104.421","0.002","90.943","0.002","91.173","0.002","4565.3","0.9","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C78.25 H60.17 Ag4 F12 N16 O21.75 S4 -","- C78.2501 H60.1674 Ag4 F12 N16 O21.75 S4 -","- C156.5 H120.335 Ag8 F24 N32 O43.5 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","","0.71073","MoKα","","0.116","0.0606","","","0.1665","0.202","","","","","","1.037","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048203","12.5434","0.0004","15.3059","0.0005","25.2934","0.0008","103.303","0.001","93.64","0.001","93.389","0.001","4702.6","0.3","100","2","99.93","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H60 Ag4 Cl4 F12 N16 O24 S4 -","- C77 H64 Ag4 Cl4 F12 N16 O24 S4 -","- C154 H128 Ag8 Cl8 F24 N32 O48 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.0988","0.0654","","","0.1641","0.1849","","","","","","1.07","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048204","12.5643","0.0004","15.0925","0.0005","25.2576","0.0008","103.219","0.001","93.353","0.001","92.554","0.001","4646.3","0.3","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H71.5 Ag4 F12 N16 O25.75 S4 -","- C79 H71.5 Ag4 F12 N16 O25.75 S4 -","- C158 H143 Ag8 F24 N32 O51.5 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.071","0.0436","","","0.1016","0.1177","","","","","","1.054","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048205","12.5618","0.0011","15.229","0.0013","24.842","0.002","102.949","0.001","92.22","0.001","94.374","0.001","4610.4","0.7","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C77.34 H65.67 Ag4 F12 N16 O26.33 S4 -","- C77.0006 H66.5 Ag4 F11.9985 N16 O26.5012 S4.0006 -","- C154.001 H133 Ag8 F23.997 N32 O53.0024 S8.0012 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.1377","0.0583","","","0.1465","0.1934","","","","","","1.005","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048206","12.532","0.003","15.486","0.004","25.142","0.006","107.193","0.002","83.606","0.003","92.8","0.002","4632","2","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C75.84 H64 Ag4 F11.5 N16 O25.77 S3.84 -","- C75.8333 H64 Ag4 F11.4999 N16 O25.7699 S3.8333 -","- C151.667 H128 Ag8 F22.9998 N32 O51.5398 S7.6666 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","","0.71073","MoKα","","0.1499","0.0956","","","0.2","0.2334","","","","","","1.09","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048207","12.1199","0.0006","15.9796","0.0007","24.4413","0.0011","104.598","0.001","88.806","0.002","90.245","0.002","4579.8","0.4","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79.5 H60.75 Ag4 F11.75 N16 O21.75 S4 -","- C79.5 H60.75 Ag4 F11.75 N16 O21.75 S4 -","- C159 H121.5 Ag8 F23.5 N32 O43.5 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.1847","0.082","","","0.1789","0.2198","","","","","","1.011","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048208","9.5753","0.0005","9.5924","0.0005","10.1968","0.0005","112.189","0.003","95.042","0.004","102.088","0.003","833.44","0.08","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cu2 N8 O14 S2 -","- C32 H28 Cu2 N8 O14 S2 -","- C32 H28 Cu2 N8 O14 S2 -","1","0.5","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","1.54178","CuKα","","0.0665","0.0619","","","0.1515","0.1586","","","","","","1.048","","","","has coordinates","229710","2020-10-21","18:00:00",""
"7048209","12.6763","0.0009","15.3591","0.0011","25.2633","0.0018","104.265","0.001","94.103","0.001","90.14","0.001","4753.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.82 H66 Ag4 F12 N16 O23.25 S4 -","- C76.815 H66 Ag4 F12 N16 O23.25 S4 -","- C153.63 H132 Ag8 F24 N32 O46.5 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","","0.71073","MoKα","","0.1147","0.0784","","","0.216","0.2499","","","","","","1.039","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048210","20.4459","0.0007","22.1125","0.0007","28.608","0.0011","90","","104.973","0.002","90","","12494.8","0.8","100","2","99.95","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H10 Ag F3 N4 O5 S -","- C16 H10 Ag F3 N4 O5 S -","- C448 H280 Ag28 F84 N112 O140 S28 -","28","7","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","1.54178","CuKα","","0.066","0.0522","","","0.1203","0.1288","","","","","","1.027","","","","has coordinates","229710","2020-10-21","18:00:00",""
"7048211","7.6519","0.0007","7.1833","0.0007","10.9347","0.0011","90","","100.319","0.002","90","","591.31","0.1","100","2","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","2-Pyrazinacyl pyridinium iodide","","- C11 H10 I N3 O -","- C11 H10 I N3 O -","- C22 H20 I2 N6 O2 -","2","0.5","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.0412","0.0277","","","0.0503","0.0534","","","","","","1.048","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048212","12.499","0.002","15.145","0.003","25.237","0.005","103.55","0.004","93.043","0.006","92.9","0.007","4628","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.01 H67.02 Ag4 F12 N16 O25 S4 -","- C77.011 H67.022 Ag4 F12 N16 O25 S4 -","- C154.022 H134.044 Ag8 F24 N32 O50 S8 -","2","1","","Dalton, Hannah L.; Lynes, Amy D.; Twamley, Brendan; Byrne, Kevin; Schmitt, Wolfgang; Hawes, Chris S.; Gunnlaugsson, Thorfinnur","Exploring the reversible host-guest chemistry of a crystalline octanuclear Ag(i) metallosupramolecular macrocycle formed from a simple pyrazinylpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17266","17275","10.1039/c8dt04583f","","x-ray","0.71073","MoKα","","0.1364","0.0746","","","0.1969","0.2478","","","","","","1.031","","","","has coordinates,has disorder","229710","2020-10-21","18:00:00",""
"7048213","20.275","0.0004","13.9256","0.0003","29.0584","0.0012","90","","106.096","0.003","90","","7882.8","0.4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H43 Br2 Er N4 O17 Zn -","- C28 H29 Br2 Er N4 O13 Zn -","- C224 H232 Br16 Er8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0324","0.0266","","","0.0632","0.0657","","","","","","1.033","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048214","12.5279","0.0005","16.2474","0.0005","20.5317","0.0008","105.959","0.003","97.486","0.003","103.965","0.003","3811.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(9-anthracenecarboxylato-kO:kO')(N,N?-dimethyl-N,N?-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine)bis(nitrato-kO:kO')erbium(III)zinc(II)] (acetonitrile)","","- C37 H32 Br2 Er N5 O12 Zn -","- C37 H32 Br2 Er N5 O12 Zn -","- C148 H128 Br8 Er4 N20 O48 Zn4 -","4","2","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0512","0.0306","","","0.057","0.0595","","","","","","0.93","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048215","15.3456","0.0013","14.4928","0.001","20.6419","0.0015","90","","113.963","0.005","90","","4195.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{[(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) (diclofenac-kO:kO')bis(nitrato-kO:kO')dysprosium(III)zinc(II)] hydrate}","","- C34 H32 Br2 Cl2 Dy N5 O13 Zn -","- C34 H30 Br2 Cl2 Dy N5 O12 Zn -","- C136 H120 Br8 Cl8 Dy4 N20 O48 Zn4 -","4","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0666","0.0389","","","0.071","0.0803","","","","","","1.025","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048216","20.3151","0.0002","13.9186","0.0001","29.0441","0.0005","90","","106.038","0.001","90","","7892.81","0.17","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H43 Br2 Dy N4 O17 Zn -","- C28 H29 Br2 Dy N4 O13 Zn -","- C224 H232 Br16 Dy8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.029","0.0242","","","0.0521","0.0541","","","","","","1.058","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048217","11.96","0.005","13.985","0.005","24.559","0.005","97.15","0.005","95.16","0.005","110.313","0.005","3783","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","{[bis(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine)bis(2-hydroxysalicylato-kO:kO')(nitrato-kO:kO')(methanol-kO)didysprosium(III)dizinc(II)]nitrate penta(methanol)}","","- C62 H80 Br4 Dy2 N6 O28 Zn2 -","- C62 H76 Br4 Dy2 N6 O28 Zn2 -","- C124 H152 Br8 Dy4 N12 O56 Zn4 -","2","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0645","0.0446","","","0.0905","0.0987","","","","","","0.979","","","","has coordinates,has disorder","223953","2020-10-21","18:00:00",""
"7048218","15.2858","0.0006","14.4617","0.0005","20.0422","0.0007","90","","110.541","0.002","90","","4148.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","{[(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) (diclofenac-kO:kO')bis(nitrato-kO:kO')erbium(III)zinc(II)] hydrate}","","- C34 H32 Br2 Cl2 Er N5 O13 Zn -","- C34 H30 Br2 Cl2 Er N5 O12 Zn -","- C136 H120 Br8 Cl8 Er4 N20 O48 Zn4 -","4","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0795","0.0414","","","0.0778","0.0904","","","","","","1.017","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048219","12.5528","0.0006","16.2599","0.0008","20.5009","0.0007","105.887","0.004","97.495","0.003","104.095","0.004","3815.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(9-anthracenecarboxylato-kO:kO')(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine)bis(nitrato-kO:kO')dysprosium(III)zinc(II)] (acetonitrile)","","- C37 H32 Br2 Dy N5 O12 Zn -","- C37 H32 Br2 Dy N5 O12 Zn -","- C148 H128 Br8 Dy4 N20 O48 Zn4 -","4","2","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0817","0.0472","","","0.1106","0.1233","","","","","","0.966","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048220","20.342","0.0006","14.7835","0.0004","28.2615","0.0012","90","","106.543","0.004","90","","8147.2","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","{[bis(N,N'-dimethyl-N,N'-bis(2-hydroxy-3-formyl-5-bromobenzyl)ethylenediamine) bis(2-hydroxysalicylato-kO:kO')bis(nitrato-kO:kO') erbium(III)zinc(II)] di(acetonitrile)}","","- C31 H30 Br2 Er N6 O13 Zn -","- C27 H24 Br2 Er N4 O13 Zn -","- C216 H192 Br16 Er8 N32 O104 Zn8 -","8","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0726","0.0455","","","0.0934","0.105","","","","","","0.998","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048221","13.516","0.001","20.775","0.0015","13.539","0.003","90","","91.534","0.003","90","","3800.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Br2 Er N6 O14 Zn -","- C31 H31 Br2 Er N6 O14 Zn -","- C124 H124 Br8 Er4 N24 O56 Zn4 -","4","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0666","0.0465","","","0.1007","0.1088","","","","","","1.078","","","","has coordinates,has disorder","223953","2020-10-21","18:00:00",""
"7048222","12.0449","0.0005","22.2693","0.001","28.4885","0.0014","90","","90.5","0.002","90","","7641.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H80 Br4 Er2 N6 O28 Zn2 -","- C62 H80 Br4 Er2 N6 O28 Zn2 -","- C248 H320 Br16 Er8 N24 O112 Zn8 -","4","1","","Echenique-Errandonea, E; Zabala-Lekuona, A; Cepeda, J.; Rodríguez-Diéguez, A; Seco, J. M.; Oyarzabal, I.; Colacio, E.","Effect of the change of the ancillary carboxylate bridging ligand on the SMM and luminescence properties of a series of carboxylate-diphenoxido triply bridged dinuclear ZnLn and tetranuclear Zn<sub>2</sub>Ln<sub>2</sub> complexes (Ln = Dy, Er).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","190","201","10.1039/c8dt03800g","","","0.71073","MoKα","","0.0779","0.0522","","","0.1071","0.1154","","","","","","1.165","","","","has coordinates","223953","2020-10-21","18:00:00",""
"7048223","9.0501","0.0008","9.8219","0.0009","11.8177","0.0011","72.18","0.008","73.284","0.008","88.618","0.007","955.45","0.16","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 O8 S4 Sn -","- C32 H56 O8 S4 Sn -","- C32 H56 O8 S4 Sn -","1","0.5","","Kitschke, Philipp; Preda, Ana-Maria; Auer, Alexander A.; Scholz, Sebastian; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael","Spirocyclic tin salicyl alcoholates - a combined experimental and theoretical study on their structures, <sup>119</sup>Sn NMR chemical shifts and reactivity in thermally induced twin polymerization.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","220","230","10.1039/c8dt03695k","","","1.54184","CuKα","","0.0233","0.0233","","","0.0613","0.0613","","","","","","1.104","","","","has coordinates","223945","2020-10-21","18:00:00",""
"7048230","6.0974","0.0004","7.5834","0.0004","18.263","0.001","90","","90","","90","","844.46","0.08","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C8 H10 N4 -","- C8 H10 N4 -","- C32 H40 N16 -","4","1","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0538","0.0433","","","0.1013","0.1066","","","","","","1.072","","","","has coordinates","223952","2020-10-21","18:00:00",""
"7048231","48.4288","0.0016","15.2166","0.0004","35.3645","0.0012","90","","114.385","0.001","90","","23736","1.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H56 Cl2 F12 N2 Sn2 -","- C64.0005 H56 Cl2 F12.0015 N2 Sn2 -","- C1024.01 H896 Cl32 F192.024 N32 Sn32 -","16","2","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.092","0.0519","","","0.0726","0.0814","","","","","","1.074","","","","has coordinates,has disorder","223952","2020-10-21","18:00:00",""
"7048232","9.471","0.0008","14.7989","0.0012","14.9888","0.0011","68.411","0.002","77.42","0.002","75.954","0.003","1875.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H56 N8 Si4 Sn -","- C28 H56 N8 Si4 Sn -","- C56 H112 N16 Si8 Sn2 -","2","1","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0701","0.0421","","","0.0801","0.0903","","","","","","1.121","","","","has coordinates","223952","2020-10-21","18:00:00",""
"7048233","13.6085","0.0007","14.1601","0.0007","14.2919","0.0005","63.076","0.002","61.675","0.002","61.851","0.002","2042.42","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H136 N4 Sn2 -","- C88 H136 N4 Sn2 -","- C88 H136 N4 Sn2 -","1","0.5","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0689","0.0405","","","0.0669","0.0756","","","","","","1.038","","","","has coordinates,has disorder","223952","2020-10-21","18:00:00",""
"7048234","12.3272","0.0009","23.0867","0.0017","22.4402","0.0016","90","","102.327","0.002","90","","6239.1","0.8","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cl N2 Sn -","- C35 H38 Cl N2 Sn -","- C280 H304 Cl8 N16 Sn8 -","8","2","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0857","0.0456","","","0.0632","0.0723","","","","","","1.04","","","","has coordinates,has disorder","223952","2020-10-21","18:00:00",""
"7048235","17.2216","0.0018","9.3053","0.0009","24.296","0.002","90","","91.831","0.003","90","","3891.5","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 F12 N6 Si4 Sn -","- C28 H42 F12 N6 Si4 Sn -","- C112 H168 F48 N24 Si16 Sn4 -","4","0.5","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0287","0.024","","","0.055","0.057","","","","","","1.065","","","","has coordinates,has disorder","223952","2020-10-21","18:00:00",""
"7048236","12.3358","0.0009","14.1132","0.001","14.7235","0.0011","71.592","0.003","73.901","0.003","78.072","0.003","2316.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 N4 Si2 Sn -","- C42 H76 N4 Si2 Sn -","- C84 H152 N8 Si4 Sn2 -","2","1","","Schulz, Axel; Thomas, Max; Villinger, Alexander","Tetrazastannoles versus distannadiazanes - a question of the tin(ii) source.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","125","132","10.1039/c8dt04295k","","","0.71073","MoKα","","0.0546","0.0366","","","0.0692","0.0751","","","","","","1.039","","","","has coordinates,has disorder","223952","2020-10-21","18:00:00",""
"7048238","15.105","0.007","9.426","0.002","17.316","0.008","90","","94.93","0.05","90","","2456.3","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cu2 I8 N6 -","- C10 H8 Cu2 I8 N6 -","- C40 H32 Cu8 I32 N24 -","4","1","","Hu, Jun; Zhou, Jian; Cao, Shumei","An unusual cuprous iodide polymer incorporating I<sup>-</sup>, I<sub>2</sub> and I<sub>3</sub><sup>-</sup> structural units.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17216","17220","10.1039/c8dt04150d","","","0.71073","MoKα","","0.0718","0.0374","","","0.0693","0.0803","","","","","","1.008","","","","has coordinates","229728","2020-10-21","18:00:00",""
"7048239","14.4644","0.0002","14.2915","0.0002","13.0253","0.0001","90","","102.283","0.0013","90","","2630.93","0.06","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 B N6 O P Ru S3 -","- C21 H26 B N6 O P Ru S3 -","- C84 H104 B4 N24 O4 P4 Ru4 S12 -","4","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","1.54184","CuKα","","0.0364","0.0346","","0.0954","0.0928","0.0954","","","","","","1.074","","","","has coordinates","223947","2020-10-21","18:00:00",""
"7048240","13.763","0.002","12.5156","0.0018","13.792","0.003","90","","95.727","0.014","90","","2363.8","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B N6 O P Ru S3 -","- C15.997 H23.991 B N6 O P0.999 Ru S3 -","- C63.988 H95.964 B4 N24 O4 P3.996 Ru4 S12 -","4","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","0.71073","MoKα","","0.0614","0.039","","","0.0784","0.0871","","","","","","1.041","","","","has coordinates,has disorder","223947","2020-10-21","18:00:00",""
"7048241","11.5008","0.0005","12.1448","0.0005","14.27","0.0004","82.893","0.003","81.948","0.003","75.012","0.004","1898.38","0.13","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C32 H50 B Cl2 N6 O P Ru S3 -","- C32 H50 B Cl2 N6 O P Ru S3 -","- C64 H100 B2 Cl4 N12 O2 P2 Ru2 S6 -","2","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","1.5418","CuKα","","0.0455","0.0407","","0.106","0.1021","0.106","","","","","","0.9866","","","","has coordinates","223947","2020-10-21","18:00:00",""
"7048242","11.8771","0.0004","12.3847","0.0004","16.6567","0.0005","93.569","0.002","108.863","0.003","114.826","0.002","2047.58","0.13","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H34 B Cl4 N6 O4 P Ru S3 -","- C33 H34 B Cl4 N6 O4 P Ru S3 -","- C66 H68 B2 Cl8 N12 O8 P2 Ru2 S6 -","2","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","1.54178","CuKα","","0.06","0.0501","","","0.1268","0.1345","","","","","","1.027","","","","has coordinates,has disorder","223947","2020-10-21","18:00:00",""
"7048243","13.3878","0.0011","16.5415","0.0009","25.3837","0.0014","90","","90","","90","","5621.3","0.6","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C19 H30 B N6 O4 P Ru S3 -","- C19 H30 B N6 O4 P Ru S3 -","- C152 H240 B8 N48 O32 P8 Ru8 S24 -","8","1","","Foreman, Mark R St-J; Hill, Anthony F.; Ma, Chenxi; Tshabang, Never; White, Andrew J. P.","Synthesis and ligand substitution reactions of κ<sup>4</sup>-B,S,S',S''-ruthenaboratranes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","209","219","10.1039/c8dt04278k","","","1.54178","CuKα","","0.0713","0.0532","","","0.1343","0.147","","","","","","1.038","","","","has coordinates,has disorder","223947","2020-10-21","18:00:00",""
"7048248","11.2213","0.0003","12.412","0.0003","6.7073","0.0002","90","","90","","90","","934.18","0.04","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H6 B Cl3 F N -","- C6 H6 B Cl3 F N -","- C24 H24 B4 Cl12 F4 N4 -","4","1","","Hahn, Jennifer; Krieg, Matthias; Keck, Constanze; Maichle-Mössmer, Cäcilia; Fink, Reinhold F.; Bettinger, Holger F.","Thermal dehydrochlorination in the 4-fluoroaniline-trichloroborane system: identification of reactive intermediates involved in the formation of B,B',B''-trichloro-N,N',N''-tri((4-fluoro)phenyl)borazine.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17304","17316","10.1039/c8dt03954b","","","0.71073","MoKα","","0.0275","0.0258","","","0.0629","0.0642","","","","","","1.047","","","","has coordinates","229726","2020-10-21","18:00:00",""
"7048249","5.7426","0.0002","27.2822","0.001","13.212","0.0005","90","","101.99","0.002","90","","2024.78","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B3 Cl3 F3 N3 -","- C18 H12 B3 Cl3 F3 N3 -","- C72 H48 B12 Cl12 F12 N12 -","4","1","","Hahn, Jennifer; Krieg, Matthias; Keck, Constanze; Maichle-Mössmer, Cäcilia; Fink, Reinhold F.; Bettinger, Holger F.","Thermal dehydrochlorination in the 4-fluoroaniline-trichloroborane system: identification of reactive intermediates involved in the formation of B,B',B''-trichloro-N,N',N''-tri((4-fluoro)phenyl)borazine.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17304","17316","10.1039/c8dt03954b","","","0.71073","MoKα","","0.0521","0.0439","","","0.1163","0.1258","","","","","","1.095","","","","has coordinates","229726","2020-10-21","18:00:00",""
"7048250","8.377","0.007","10.109","0.009","10.309","0.009","99.27","0.02","112.227","0.016","90.341","0.017","795.4","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 B F3 N3 -","- C18 H15 B F3 N3 -","- C36 H30 B2 F6 N6 -","2","1","","Hahn, Jennifer; Krieg, Matthias; Keck, Constanze; Maichle-Mössmer, Cäcilia; Fink, Reinhold F.; Bettinger, Holger F.","Thermal dehydrochlorination in the 4-fluoroaniline-trichloroborane system: identification of reactive intermediates involved in the formation of B,B',B''-trichloro-N,N',N''-tri((4-fluoro)phenyl)borazine.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17304","17316","10.1039/c8dt03954b","","","0.71073","MoKα","","0.0505","0.0402","","","0.0977","0.1037","","","","","","1.041","","","","has coordinates","229726","2020-10-21","18:00:00",""
"7048251","19.159","0.003","4.1134","0.0006","30.426","0.005","90","","90","","90","","2397.8","0.6","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H25 N5 O3 -","- C28 H25 N5 O3 -","- C112 H100 N20 O12 -","4","1","","Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan","A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","158","167","10.1039/c8dt03690j","","","0.71073","MoKα","","0.0638","0.0415","","","0.1061","0.1196","","","","","","1.024","","","","has coordinates","223933","2020-10-21","18:00:00",""
"7048252","10.8611","0.0005","17.4221","0.0008","18.0546","0.0008","62.612","0.001","81.047","0.001","85.646","0.001","2996.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Cl4 Fe N10 O22.5 -","- C56 H49.5 Cl4 Fe N10 O22.5 -","- C112 H99 Cl8 Fe2 N20 O45 -","2","1","","Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan","A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","158","167","10.1039/c8dt03690j","","","0.71073","MoKα","","0.0977","0.0681","","","0.1639","0.1809","","","","","","1.022","","","","has coordinates,has disorder","223933","2020-10-21","18:00:00",""
"7048253","13.6844","0.0005","18.0033","0.0007","28.3883","0.001","101.503","0.001","93.773","0.001","95.517","0.001","6795.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72.5 H53.5 Fe N18 O21.5 -","- C69.5 H48.5 Fe N16.5 O16 -","- C278 H194 Fe4 N66 O64 -","4","2","","Sonkar, Avinash Kumar; Rai, Abhishek; Tripathi, Kamini; Sharma, Pooja; Roesky, H. W.; Drew, Michael G. B.; Mishra, Lallan","A benzimidazolyl terpyridine-Fe<sup>2+</sup> system and its recognition driven molecular model of a traffic light.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","158","167","10.1039/c8dt03690j","","","0.71073","MoKα","","0.0911","0.0682","","","0.1755","0.1961","","","","","","1.035","","","","has coordinates,has disorder","223933","2020-10-21","18:00:00",""
"7048256","8.2798","0.0002","17.4801","0.0005","18.1002","0.0005","95.484","0.007","100.669","0.007","90.825","0.006","2561.22","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H60 K2 N6 O29 Pt3 -","- C26 H54 K2 N6 O27 Pt3 -","- C52 H108 K4 N12 O54 Pt6 -","2","1","","Hoshino, Norihisa; Fujita, Sena; Akutagawa, Tomoyuki","The trinuclear platinum(ii) complex in Vèzes' red salt as a building block of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","176","181","10.1039/c8dt04121k","","","1.54187","CuKα","","0.1158","0.0859","","","0.2145","0.2337","","","","","","1.05","","","","has coordinates","223932","2020-10-21","18:00:00",""
"7048257","15.8083","0.0003","16.2005","0.0003","18.9885","0.0003","68.585","0.005","84.549","0.006","87.459","0.006","4506.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H54 Ag2 N6 O26 Pt3 -","- C27 H54 Ag2 N6 O26 Pt3 -","- C108 H216 Ag8 N24 O104 Pt12 -","4","2","","Hoshino, Norihisa; Fujita, Sena; Akutagawa, Tomoyuki","The trinuclear platinum(ii) complex in Vèzes' red salt as a building block of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","176","181","10.1039/c8dt04121k","","","1.54187","CuKα","","0.0994","0.0644","","","0.1474","0.1673","","","","","","0.986","","","","has coordinates","223932","2020-10-21","18:00:00",""
"7048258","17.5819","0.0006","20.2747","0.0008","15.0045","0.0006","90","","90","","90","","5348.6","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10.5 H21 Ag2 N6 O16.5 Pt3 -","- C10.5 H18 Ag2 N6 O16.5 Pt3 -","- C84 H144 Ag16 N48 O132 Pt24 -","8","1","","Hoshino, Norihisa; Fujita, Sena; Akutagawa, Tomoyuki","The trinuclear platinum(ii) complex in Vèzes' red salt as a building block of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","176","181","10.1039/c8dt04121k","","","1.54187","CuKα","","0.126","0.0804","","","0.1897","0.2232","","","","","","1.075","","","","has coordinates","223932","2020-10-21","18:00:00",""
"7048259","8.178","0.0002","21.7158","0.0004","18.259","0.0004","90","","92.2","0.007","90","","3240.26","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 Ag2 N6 O20 Pt3 -","- C15 H30 Ag2 N6 O20 Pt3 -","- C60 H120 Ag8 N24 O80 Pt12 -","4","1","","Hoshino, Norihisa; Fujita, Sena; Akutagawa, Tomoyuki","The trinuclear platinum(ii) complex in Vèzes' red salt as a building block of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","176","181","10.1039/c8dt04121k","","","1.54187","CuKα","","0.061","0.0439","","","0.1121","0.1251","","","","","","1.165","","","","has coordinates","223932","2020-10-21","18:00:00",""
"7048267","5.143","0.003","7.656","0.005","8.653","0.005","90","","104.429","0.008","90","","330","0.3","5","0.5","5","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C8 H12 Co2 O12 -","2","0.5","","Nakane, Tomohiro; Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Nakao, Akiko; Ohhara, Takashi; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Aoki, Yuji; Fujita, Wataru","Magnetic, thermal, and neutron diffraction studies of a coordination polymer: bis(glycolato)cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","333","338","10.1039/c8dt04358b","","neutron","","neutron","","0.0767","0.0683","","","0.1234","0.1387","","","","1.24","1.24","1.31","","","","has coordinates","223934","2020-10-21","18:00:00",""
"7048268","5.18","0.003","7.86","0.005","8.659","0.005","90","","105.129","0.008","90","","340.3","0.4","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C8 H12 Co2 O12 -","2","0.5","","Nakane, Tomohiro; Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Nakao, Akiko; Ohhara, Takashi; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Aoki, Yuji; Fujita, Wataru","Magnetic, thermal, and neutron diffraction studies of a coordination polymer: bis(glycolato)cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","333","338","10.1039/c8dt04358b","","neutron","","neutron","","0.1976","0.0783","","","0.107","0.1392","","","","1.24","1.24","1.11","","","","has coordinates","223934","2020-10-21","18:00:00",""
"7048269","5.17","0.003","7.697","0.005","8.701","0.005","90","","104.492","0.008","90","","335.2","0.4","20","0.5","20","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C8 H12 Co2 O12 -","2","0.5","","Nakane, Tomohiro; Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Nakao, Akiko; Ohhara, Takashi; Higashinaka, Ryuji; Matsuda, Tatsuma D.; Aoki, Yuji; Fujita, Wataru","Magnetic, thermal, and neutron diffraction studies of a coordination polymer: bis(glycolato)cobalt(ii).","Dalton transactions (Cambridge, England : 2003)","2018","48","1","333","338","10.1039/c8dt04358b","","neutron","","neutron","","0.0889","0.068","","","0.1116","0.1242","","","","1.11","1.11","1.09","","","","has coordinates","223934","2020-10-21","18:00:00",""
"7048274","12.1738","0.0004","20.5576","0.0006","15.1309","0.0005","90","","113.173","0.004","90","","3481.2","0.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cl2 Fe N8 O8 -","- C38 H28 Cl2 Fe N8 O8 -","- C152 H112 Cl8 Fe4 N32 O32 -","4","0.5","","Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias","Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17257","17265","10.1039/c8dt03652g","","","1.54184","CuKα","","0.0329","0.0307","","","0.083","0.0845","","","","","","1.054","","","","has coordinates,has disorder","229712","2020-10-21","18:00:00",""
"7048275","23.1125","0.0006","12.5935","0.0003","13.1876","0.0003","90","","90","","90","","3838.48","0.16","120","","120","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H26 Cl2 N10 O8 Zn -","- C36 H26 Cl2 N10 O8 Zn -","- C144 H104 Cl8 N40 O32 Zn4 -","4","1","","Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias","Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17257","17265","10.1039/c8dt03652g","","","1.54184","CuKα","","0.1022","0.0941","","","0.2638","0.2744","","","","","","1.048","","","","has coordinates,has disorder","229712","2020-10-21","18:00:00",""
"7048276","12.8712","0.0008","23.363","0.003","12.9312","0.001","90","","90.118","0.007","90","","3888.5","0.6","110","","110","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H32 Cl2 Fe N10 O9 -","- C39 H32 Cl2 Fe N10 O9 -","- C156 H128 Cl8 Fe4 N40 O36 -","4","2","","Petzold, Holm; Hörner, Gerald; Schnaubelt, Linda; Rüffer, Tobias","Slow spin crossover in bis-meridional Fe<sup>2+</sup> complexes through spin-state auto-adaptive N6/N8 coordination.","Dalton transactions (Cambridge, England : 2003)","2018","47","48","17257","17265","10.1039/c8dt03652g","","","0.71073","MoKα","","0.0546","0.0505","","","0.1235","0.1265","","","","","","1.026","","","","has coordinates","229712","2020-10-21","18:00:00",""
"7048313","9.261","0.0004","8.5585","0.0003","12.2971","0.0005","90","","91.923","0.004","90","","974.12","0.07","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H16 Cr N4 Na O12 -","- C12 H16 Cr N4 Na O12 -","- C24 H32 Cr2 N8 Na2 O24 -","2","0.5","","Ptak, Maciej; Zarychta, Bartosz; Stefańska, Dagmara; Ciupa, Aneta; Paraguassu, Waldeci","Novel bimetallic MOF phosphors with an imidazolium cation: structure, phonons, high- pressure phase transitions and optical response.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","242","252","10.1039/c8dt04246b","","","0.71073","MoKα","","0.031","0.0263","","","0.0757","0.0775","","","","","","1.059","","","","has coordinates","223937","2020-10-21","18:00:00",""
"7048314","9.3105","0.0002","8.4501","0.0002","12.2281","0.0002","90","","92.147","0.002","90","","961.37","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H16 Cr N4 Na O12 -","- C12 H16 Cr N4 Na O12 -","- C24 H32 Cr2 N8 Na2 O24 -","2","0.5","","Ptak, Maciej; Zarychta, Bartosz; Stefańska, Dagmara; Ciupa, Aneta; Paraguassu, Waldeci","Novel bimetallic MOF phosphors with an imidazolium cation: structure, phonons, high- pressure phase transitions and optical response.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","242","252","10.1039/c8dt04246b","","","0.71073","MoKα","","0.0213","0.0197","","","0.0509","0.0515","","","","","","1.071","","","","has coordinates","223937","2020-10-21","18:00:00",""
"7048315","12.2888","0.0003","12.416","0.0003","12.7236","0.0003","90","","90.02","0.002","90","","1941.34","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Al N4 Na O12 -","- C12 H16 Al N4 Na O12 -","- C48 H64 Al4 N16 Na4 O48 -","4","1","","Ptak, Maciej; Zarychta, Bartosz; Stefańska, Dagmara; Ciupa, Aneta; Paraguassu, Waldeci","Novel bimetallic MOF phosphors with an imidazolium cation: structure, phonons, high- pressure phase transitions and optical response.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","242","252","10.1039/c8dt04246b","","","0.71073","MoKα","","0.0582","0.0375","","","0.0977","0.1032","","","","","","1.011","","","","has coordinates","223937","2020-10-21","18:00:00",""
"7048316","12.1711","0.0002","12.3854","0.0002","12.6588","0.0002","90","","90.455","0.002","90","","1908.18","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Al N4 Na O12 -","- C12 H16 Al N4 Na O12 -","- C48 H64 Al4 N16 Na4 O48 -","4","1","","Ptak, Maciej; Zarychta, Bartosz; Stefańska, Dagmara; Ciupa, Aneta; Paraguassu, Waldeci","Novel bimetallic MOF phosphors with an imidazolium cation: structure, phonons, high- pressure phase transitions and optical response.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","242","252","10.1039/c8dt04246b","","","0.71073","MoKα","","0.0341","0.025","","","0.0609","0.0629","","","","","","0.953","","","","has coordinates","223937","2020-10-21","18:00:00",""
"7048354","20.6006","0.0008","20.6006","0.0008","10.102","0.0006","90","","90","","90","","4287.1","0.3","116","","116","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C46 H24 Br8 Cl4 Cu N4 -","- C46 H24 Br8 Cl4 Cu N4 -","- C184 H96 Br32 Cl16 Cu4 N16 -","4","","","Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich","Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat","Dalton Transactions","2018","","","","","10.1039/C8DT04135K","","","1.54184","CuKα","","0.0537","0.0461","","","0.1305","0.135","","","","","","1.075","","","","has coordinates,has disorder","212564","2020-10-21","18:00:00",""
"7048355","15.1184","0.0003","23.6167","0.0006","15.6626","0.0005","90","","92.824","0.002","90","","5585.5","0.3","110","","110","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C129 H106 Cl10 Fe8 N4 O2 -","- C129 H106 Cl10 Fe8 N4 O2 -","- C258 H212 Cl20 Fe16 N8 O4 -","2","1","","Rueffer, Tobias; Al-Shewiki, Rasha; Korb, Marcus; Hildebrandt, Alexander; Zahn, Stefan; Naumov, Sergej; Buschbeck, Roy; Lang, Heinrich","Diaqua-β-Octaferrocenyltetraphenylporphyrin: A Multiredox-active and Air-stable 16π Non-Aromat","Dalton Transactions","2018","","","","","10.1039/C8DT04135K","","","1.54184","CuKα","","0.1029","0.0862","","","0.2215","0.2405","","","","","","0.999","","","","has coordinates,has disorder","212564","2020-10-21","18:00:00",""
"7048359","39.2116","0.0008","39.2116","0.0008","11.724","0.0003","90","","90","","120","","15611.2","0.6","100","0.1","100","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C36 H88 Cl4 Co9 N6 O36 -","- C36 H64 Cl4 Co9 N6 O26 -","- C324 H576 Cl36 Co81 N54 O234 -","9","","","Collet, Alexandra; Wilson, Claire; Murrie, Mark","Microwave−assisted synthesis: from a mononuclear {CoII} complex to {CoII9} solvomorphs","Dalton Transactions","2018","","","","","10.1039/C8DT04557G","","x-ray","0.71073","MoKα","K-L~3~","0.0702","0.0538","","","0.1297","0.1385","","","","","","1.005","","","","has coordinates","212566","2020-10-21","18:00:00",""
"7048360","14.7276","0.0004","11.8295","0.0003","15.6451","0.0005","90","","94.809","0.003","90","","2716.1","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H64 Cl4 Co9 N6 O24 -","- C36 H64 Cl4 Co9 N6 O24 -","- C72 H128 Cl8 Co18 N12 O48 -","2","0.5","","Collet, Alexandra; Wilson, Claire; Murrie, Mark","Microwave−assisted synthesis: from a mononuclear {CoII} complex to {CoII9} solvomorphs","Dalton Transactions","2018","","","","","10.1039/C8DT04557G","","x-ray","0.71073","MoKα","","0.0268","0.0232","","","0.0538","0.0553","","","","","","1.029","","","","has coordinates","212566","2020-10-21","18:00:00",""
"7056737","9.5695","0.0011","10.607","0.001","16.3461","0.0015","71.986","0.004","83.215","0.005","85.146","0.005","1564.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cu N6 O6 -","- C33 H33 Cu N6 O6 -","- C66 H66 Cu2 N12 O12 -","2","1","","Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands","New Journal of Chemistry","2018","42","1","246","","10.1039/C7NJ03293E","","","0.71073","MoKα","","0.1027","0.0582","","","0.1351","0.1572","","","","","","1.052","","","","has coordinates,has disorder","230224","2020-10-21","18:00:00",""
"7056738","12.013","0.0014","12.2684","0.0015","12.398","0.0015","70.845","0.004","80.21","0.004","72.219","0.004","1638.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Cu N6 O6 -","- C33 H32 Cu N6 O6 -","- C66 H64 Cu2 N12 O12 -","2","1","","Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands","New Journal of Chemistry","2018","42","1","246","","10.1039/C7NJ03293E","","","0.71073","MoKα","","0.1338","0.0674","","","0.164","0.1908","","","","","","0.997","","","","has coordinates","230224","2020-10-21","18:00:00",""
"7056739","11.0747","0.0003","10.6797","0.0003","25.2355","0.0007","90","","91.65","0.002","90","","2983.48","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Cu N6 O6 -","- C31 H28 Cu N6 O6 -","- C124 H112 Cu4 N24 O24 -","4","1","","Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands","New Journal of Chemistry","2018","42","1","246","","10.1039/C7NJ03293E","","","0.71073","MoKα","","0.1278","0.0789","","","0.2192","0.266","","","","","","1.033","","","","has coordinates,has disorder","230224","2020-10-21","18:00:00",""
"7056748","9.708","0.0012","11.5722","0.0015","14.215","0.002","91.344","0.007","99.494","0.007","106.741","0.007","1504.1","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","68dmprsp","68dmprsp","","- C39 H30 Cl N4 O -","- C39 H30 Cl N4 O -","- C78 H60 Cl2 N8 O2 -","2","1","","Saravana Mani, Kailasam; Kaminsky, Werner; Rajendran, Subramaniam Parameswaran","A facile atom economic one pot multicomponent synthesis of bioactive spiro-indenoquinoxaline pyrrolizines as potent antioxidants and anti-cancer agents","New Journal of Chemistry","2018","42","1","301","","10.1039/C7NJ02993D","","","0.71073","MoKα","","0.1646","0.0562","","","0.1237","0.1649","","","","","","0.897","","","","has coordinates","230221","2020-10-21","18:00:00",""
"7056751","14.162","0.001","38.224","0.003","14.065","0.0011","90","","94.915","0.002","90","","7585.8","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly{[diaquatris(mu4-perylene-3,4,9,10-tetracarboxylato)-eicosakis(dimethylformamide)tetradysprosium] tetrahydrate tetrakis(dimethylformamide)}","","- C60 H99 Dy2 N12 O33 S6 -","- C55.5 H84.5 Dy2 N10.5 O29.5 S6 -","- C222 H338 Dy8 N42 O118 S24 -","4","1","","García-García, Amalia; Oyarzabal, Itziar; Cepeda, Javier; Seco, José M.; García-Valdivia, Antonio A.; Gómez-Ruiz, Santiago; Salinas-Castillo, Alfonso; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio","Slow relaxation of magnetization and luminescence properties of a novel dysprosium and pyrene-1,3,6,8-tetrasulfonate based MOF","New Journal of Chemistry","2018","42","2","832","","10.1039/C7NJ02935G","","","0.71073","MoKα","","0.0607","0.0521","","","0.1316","0.1374","","","","","","1.072","","","","has coordinates,has disorder","230300","2020-10-21","18:00:00",""
"7056754","9.8099","0.0005","14.0372","0.0007","14.7788","0.0011","90","","90.878","0.006","90","","2034.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br2 N O -","- C22 H19 Br2 N O -","- C88 H76 Br8 N4 O4 -","4","1","","Martins, Nayara Silva; Alberto, Eduardo E.","Dibromination of alkenes with LiBr and H2O2 under mild conditions","New Journal of Chemistry","2018","42","1","161","","10.1039/C7NJ04300G","","x-ray","0.71073","MoKα","","0.0775","0.0431","","","0.092","0.1058","","","","","","1.021","","","","has coordinates","230229","2020-10-21","18:00:00",""
"7056755","9.453","0.002","12.533","0.003","23.913","0.005","90","","115.7","0.004","90","","2552.8","1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 B2 Cl4 Fe N8 O6 -","- C16 H23 B2 Cl4 Fe N8 O6 -","- C64 H92 B8 Cl16 Fe4 N32 O24 -","4","1","","Zelinskii, Genrikh E.; Belov, Alexander S.; Belaya, Irina G.; Vologzhanina, Anna V.; Novikov, Valentin V.; Varzatskii, Oleg A.; Voloshin, Yan Z.","The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of new N2-, S2- and O2-alicyclic iron(ii) di- and tetrachloroclathrochelates","New Journal of Chemistry","2018","42","1","56","","10.1039/C7NJ03051G","","","0.71073","MoKα","","0.148","0.114","","","0.2425","0.2549","","","","","","1.052","","","","has coordinates,has disorder","230225","2020-10-21","18:00:00",""
"7056756","11.0772","0.0002","11.0772","0.0002","26.6909","0.0009","90","","90","","90","","3275.09","0.14","120","","120","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C32 H30 B2 Fe N6 O12 -","- C32 H30 B2 Fe N6 O12 -","- C128 H120 B8 Fe4 N24 O48 -","4","0.5","","Zelinskii, Genrikh E.; Belov, Alexander S.; Belaya, Irina G.; Vologzhanina, Anna V.; Novikov, Valentin V.; Varzatskii, Oleg A.; Voloshin, Yan Z.","The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of new N2-, S2- and O2-alicyclic iron(ii) di- and tetrachloroclathrochelates","New Journal of Chemistry","2018","42","1","56","","10.1039/C7NJ03051G","","","0.71073","MoKα","","0.0357","0.03","","","0.0742","0.0772","","","","","","1.008","","","","has coordinates","230225","2020-10-21","18:00:00",""
"7056757","14.486","0.0004","15.3721","0.0003","15.7873","0.0004","117.417","0.001","99.084","0.002","107.035","0.001","2800.59","0.13","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H54 B4 Cl3 Fe2 N12 O12 S9 -","- C37 H54 B4 Cl3 Fe2 N12 O12 S9 -","- C74 H108 B8 Cl6 Fe4 N24 O24 S18 -","2","1","","Zelinskii, Genrikh E.; Belov, Alexander S.; Belaya, Irina G.; Vologzhanina, Anna V.; Novikov, Valentin V.; Varzatskii, Oleg A.; Voloshin, Yan Z.","The molecular design of cage metal complexes for biological applications: pathways of the synthesis, and X-ray structures of a series of new N2-, S2- and O2-alicyclic iron(ii) di- and tetrachloroclathrochelates","New Journal of Chemistry","2018","42","1","56","","10.1039/C7NJ03051G","","","1.54178","CuKα","","0.0644","0.0506","","","0.0981","0.1043","","","","","","0.993","","","","has coordinates,has disorder","230225","2020-10-21","18:00:00",""
"7056758","7.087","0.003","8.894","0.003","16.147","0.006","90","","101.284","0.013","90","","998.1","0.7","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl4 Cu2 N4 O2 -","- C16 H20 Cl4 Cu2 N4 O2 -","- C32 H40 Cl8 Cu4 N8 O4 -","2","0.5","","Jehdaramarn, Attawit; Pornsuwan, Soraya; Chumsaeng, Phongnarin; Phomphrai, Khamphee; Sangtrirutnugul, Preeyanuch","Effects of appended hydroxyl groups and ligand chain length on copper coordination and oxidation activity","New Journal of Chemistry","2018","42","1","654","","10.1039/C7NJ03113K","","","0.71073","","","0.0248","0.0219","","","0.0544","0.0556","","","","","","1.071","","","","has coordinates","230230","2020-10-21","18:00:00",""
"7056759","14.024","0.008","7.716","0.005","17.612","0.013","90","","111.47","0.03","90","","1774","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl3 Cu2 N3 O2 -","- C15 H16 Cl3 Cu2 N3 O2 -","- C60 H64 Cl12 Cu8 N12 O8 -","4","1","","Jehdaramarn, Attawit; Pornsuwan, Soraya; Chumsaeng, Phongnarin; Phomphrai, Khamphee; Sangtrirutnugul, Preeyanuch","Effects of appended hydroxyl groups and ligand chain length on copper coordination and oxidation activity","New Journal of Chemistry","2018","42","1","654","","10.1039/C7NJ03113K","","","0.71073","","","0.0356","0.0243","","","0.0492","0.0523","","","","","","1.03","","","","has coordinates","230230","2020-10-21","18:00:00",""
"7056760","12.9346","0.0007","16.1294","0.0009","18.8407","0.0009","86.086","0.004","84.022","0.004","69.942","0.005","3670","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C133.33 H152.98 Cu10 N16 O45.16 -","- C133.333 H137.334 Cu10 N16 O45.1666 -","- C133.333 H137.334 Cu10 N16 O45.1666 -","1","0.5","","Haldar, Shobhraj; Vijaykumar, Gonela; Carrella, Luca; Musie, Ghezai T.; Bera, Manindranath","Structure and properties of a novel staircase-like decanuclear [CuII10] cluster supported by carbonate and carboxylate bridges","New Journal of Chemistry","2018","42","2","1276","","10.1039/C7NJ03714G","","","0.71073","MoKα","","0.0878","0.0716","","","0.1777","0.1855","","","","","","1.095","","","","has coordinates,has disorder","230304","2020-10-21","18:00:00",""
"7056762","16.7661","0.0015","22.86","0.002","11.406","0.0011","90","","90","","90","","4371.6","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H28 Bi2 I9 N5 -","- C18 H28 Bi2 I9 N5 -","- C72 H112 Bi8 I36 N20 -","4","0.5","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.2059","0.0859","","","0.2283","0.2904","","","","","","1.025","","","","has coordinates","230222","2020-10-21","18:00:00",""
"7056763","18.36","0.02","7.91","0.01","19.67","0.02","90","","90","","90","","2857","6","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 I3 N Pb -","- C7 H10 I3 N Pb -","- C56 H80 I24 N8 Pb8 -","8","1","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.079","0.04","","","0.0824","0.097","","","","","","1.044","","","","has coordinates","230222","2020-10-21","18:00:00",""
"7056764","14.9571","0.0012","8.096","0.0008","9.8979","0.0009","90","","90","","90","","1198.56","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 I3 N Pb -","- C5 H6 I3 N Pb -","- C20 H24 I12 N4 Pb4 -","4","0.5","","Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Hua Lin, Jian","Three in situ-synthesized novel inorganic‒organic hybrid materials based on metal (M = Bi, Pb) iodide and organoamine using one-pot reactions: structures, band gaps and optoelectronic properties","New Journal of Chemistry","2018","42","1","699","","10.1039/C7NJ02815F","","","0.71073","MoKα","","0.1005","0.09","","","0.2185","0.2263","","","","","","1.115","","","","has coordinates,has disorder","230222","2020-10-21","18:00:00",""
"7056765","9.0323","0.0006","10.9047","0.0007","12.9519","0.0009","93.339","0.002","106.159","0.002","102.703","0.002","1185.55","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N3 O2 S -","- C28 H25 N3 O2 S -","- C56 H50 N6 O4 S2 -","2","1","","Shiva Kumar, K.; Kumar, N. Praveen; Rajesham, Bandari; Kishan, Gugulothu; Akula, Sravani; Kancha, Rama Krishna","Silver-catalyzed synthesis of pyrrolopiperazine fused with oxazine/imidazole via a domino approach: evaluation of anti-cancer activity","New Journal of Chemistry","2018","42","1","34","","10.1039/C7NJ03608F","","","0.71073","MoKα","","0.0605","0.0433","","","0.1135","0.1271","","","","","","1.015","","","","has coordinates","230228","2020-10-21","18:00:00",""
"7056766","18.1618","0.0006","12.4595","0.0004","20.2872","0.0008","90","","101.442","0.001","90","","4499.5","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N2 -","- C30 H24 N2 -","- C240 H192 N16 -","8","1","","Manickam, Saravanakumar; Balijapalli, Umamahesh; Sathiyanarayanan, Kulathu Iyer","SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence and their photophysical properties","New Journal of Chemistry","2018","42","2","860","","10.1039/C7NJ03654J","","","0.71073","MoKα","","0.1165","0.072","","","0.2107","0.2507","","","","","","1.048","","","","has coordinates","230295","2020-10-21","18:00:00",""
"7056767","7.3474","0.0003","8.9699","0.0004","16.5075","0.0007","95.021","0.003","95.805","0.002","91.637","0.002","1077.43","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H0 N4 -","- C28 H20 N4 -","- C56 H40 N8 -","2","1","","Manickam, Saravanakumar; Balijapalli, Umamahesh; Sathiyanarayanan, Kulathu Iyer","SnCl2-catalyzed synthesis of dihydro-5H-benzo[f]pyrazolo[3,4-b]quinoline and dihydroindeno[2,1-b]pyrazolo[4,3-e]pyridine with high fluorescence and their photophysical properties","New Journal of Chemistry","2018","42","2","860","","10.1039/C7NJ03654J","","","0.71073","MoKα","","0.106","0.0545","","","0.1492","0.1918","","","","","","1.019","","","","has coordinates","230295","2020-10-21","18:00:00",""
"7056768","9.279","0.0005","9.6051","0.0005","14.5588","0.0008","90","","90.782","0.003","90","","1297.44","0.12","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 S -","- C13 H13 N3 O2 S -","- C52 H52 N12 O8 S4 -","4","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","0.71073","MoKα","","0.0427","0.0365","","","0.1013","0.1065","","","","","","1.054","","","","has coordinates","230223","2020-10-21","18:00:00",""
"7056769","17.2211","0.0008","8.0419","0.0004","20.7942","0.001","90","","106.004","0.003","90","","2768.2","0.2","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 N3 O2 S -","- C14 H15 N3 O2 S -","- C112 H120 N24 O16 S8 -","8","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","0.71073","MoKα","","0.0472","0.037","","","0.0988","0.1055","","","","","","1.045","","","","has coordinates","230223","2020-10-21","18:00:00",""
"7056770","12.809","0.0008","34.6852","0.0019","10.919","0.0005","90","","108.019","0.004","90","","4613.2","0.4","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H43 N3 O3 P2 Ru S -","- C55 H43 N3 O3 P2 Ru S -","- C220 H172 N12 O12 P8 Ru4 S4 -","4","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","1.54184","CuKα","","0.1647","0.1113","","","0.2881","0.3223","","","","","","1.024","","","","has coordinates","230223","2020-10-21","18:00:00",""
"7056771","11.7445","0.0004","13.1594","0.0005","15.1515","0.0006","86.303","0.002","81.895","0.002","65.417","0.002","2108.11","0.14","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39.92 N3 O3.46 P2 Ru S -","- C49 H39 N3 O3.461 P2 Ru S -","- C98 H78 N6 O6.922 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","0.71073","MoKα","","0.0773","0.0479","","","0.1067","0.1193","","","","","","1.049","","","","has coordinates","230223","2020-10-21","18:00:00",""
"7056772","11.8754","0.0004","12.4147","0.0004","17.2352","0.0006","80.4346","0.0018","78.9857","0.0015","63.995","0.0015","2231.85","0.13","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 N3 O3 P2 Ru S -","- C50 H41 N3 O3 P2 Ru S -","- C100 H82 N6 O6 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","0.71073","MoKα","","0.0418","0.0337","","","0.0847","0.0881","","","","","","1.072","","","","has coordinates,has disorder","230223","2020-10-21","18:00:00",""
"7056773","13.0418","0.0003","13.4769","0.0003","13.6076","0.0003","79.4942","0.0012","80.9076","0.0011","71.6378","0.0011","2218.88","0.09","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 N3 O3 P2 Ru S -","- C54 H46 N3 O3 P2 Ru S -","- C108 H92 N6 O6 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Rajkumar, S. Rex Jeya; Dharani, S.; Fronczek, Frank R.; Muthukumar Nadar, M. S. A.; Prabhakaran, R.","Cyclometallated ruthenium(ii) complexes with 3-acetyl-2[H]-chromene-2-one derived CNS chelating ligand systems: synthesis, X-ray characterization and biological evaluation","New Journal of Chemistry","2018","42","1","336","","10.1039/C7NJ02877F","","","0.71073","MoKα","","0.0348","0.0261","","","0.0608","0.0644","","","","","","1.016","","","","has coordinates","230223","2020-10-21","18:00:00",""
"7056774","19.835","0.002","16.2476","0.0017","10.253","0.001","90","","99.974","0.006","90","","3254.3","0.6","100","2","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F12 N4 O4 P2 -","- C28 H22 F12 N4 O4 P2 -","- C112 H88 F48 N16 O16 P8 -","4","1","","Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B.","Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline","New Journal of Chemistry","2018","42","2","891","","10.1039/C7NJ03624H","","","1.54178","CuKα","","0.0817","0.0686","","","0.1921","0.2023","","","","","","1.055","","","","has coordinates","230291","2020-10-21","18:00:00",""
"7056775","11.9807","0.0009","12.2072","0.0014","17.381","0.002","84.137","0.01","73.892","0.009","67.836","0.009","2261.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 N10 Ni O6 S2 -","- C46 H38 N10 Ni O6 S2 -","- C92 H76 N20 Ni2 O12 S4 -","2","1","","Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B.","Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline","New Journal of Chemistry","2018","42","2","891","","10.1039/C7NJ03624H","","x-ray","0.71073","MoKα","","0.1421","0.067","","","0.1638","0.2148","","","","","","0.998","","","","has coordinates","230291","2020-10-21","18:00:00",""
"7056776","10.0919","0.0009","10.1848","0.0006","17.0127","0.0011","81.383","0.005","75.712","0.007","63.935","0.007","1520.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H27 Cl Cu N6 O3 S -","- C33 H27 Cl Cu N6 O3 S -","- C66 H54 Cl2 Cu2 N12 O6 S2 -","2","1","","Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B.","Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline","New Journal of Chemistry","2018","42","2","891","","10.1039/C7NJ03624H","","x-ray","1.54184","CuKα","","0.0635","0.0446","","","0.1055","0.1199","","","","","","1.028","","","","has coordinates","230291","2020-10-21","18:00:00",""
"7056777","10.0254","0.0007","16.5255","0.001","17.0838","0.0008","90","","95.697","0.006","90","","2816.4","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 Cl Cu N6 O2 S -","- C30 H25 Cl Cu N6 O2 S -","- C120 H100 Cl4 Cu4 N24 O8 S4 -","4","1","","Villa-Pérez, C.; Cadavid-Vargas, J. F.; Di Virgilio, A. L.; Echeverría, G. A.; Camí, G. E.; Soria, D. B.","Crystal structure, Hirshfeld surface analysis, spectroscopic and biological studies on sulfamethazine and sulfaquinoxaline ternary complexes with 2,2′-biquinoline","New Journal of Chemistry","2018","42","2","891","","10.1039/C7NJ03624H","","x-ray","1.54184","CuKα","","0.1051","0.064","","","0.1612","0.1912","","","","","","1.023","","","","has coordinates","230291","2020-10-21","18:00:00",""
"7056778","11.3453","0.0013","12.5873","0.0015","13.3419","0.0016","61.922","0.004","83.098","0.004","69.125","0.004","1568.1","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H76 N24 O44 -","- C36 H36 N24 O44 -","- C36 H36 N24 O44 -","1","0.5","","Xia, Xi; Chen, Kai; Yao, Yu-Qing; Shan, Chun-Yan; Tao, Zhu; Zhang, Yun-Qian; Zhou, QingDi; Wei, Gang","Highly selective absorption of polychloromethanes in perhydroxylated cucurbit[6]uril-based supramolecular assemblies","New Journal of Chemistry","2018","42","2","802","","10.1039/C7NJ03446F","","","0.71073","MoKα","","0.1074","0.0956","","","0.3087","0.328","","","","","","1.479","","","","has coordinates,has disorder","230307","2020-10-21","18:00:00",""
"7056779","15.359","0.012","21.896","0.012","18.644","0.012","90","","100.105","0.012","90","","6173","7","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 N24 O46 -","- C36 H36 N24 O46 -","- C144 H144 N96 O184 -","4","0.5","","Xia, Xi; Chen, Kai; Yao, Yu-Qing; Shan, Chun-Yan; Tao, Zhu; Zhang, Yun-Qian; Zhou, QingDi; Wei, Gang","Highly selective absorption of polychloromethanes in perhydroxylated cucurbit[6]uril-based supramolecular assemblies","New Journal of Chemistry","2018","42","2","802","","10.1039/C7NJ03446F","","","0.71073","MoKα","","0.1694","0.1295","","","0.3802","0.4026","","","","","","1.478","","","","has coordinates,has disorder","230307","2020-10-21","18:00:00",""
"7056780","11.4912","0.0009","7.2015","0.0005","16.5491","0.0013","90","","100.277","0.002","90","","1347.53","0.18","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","triazole","Ethyl 2-[5-(2,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]-2-hydroxyacetate","","- C12 H11 Cl2 N3 O3 -","- C12 H11 Cl2 N3 O3 -","- C48 H44 Cl8 N12 O12 -","4","1","","Jannapu Reddy, Raju; Waheed, Md.; Karthik, Thatikonda; Shankar, Angothu","An efficient synthesis of 4,5-disubstituted-2H-1,2,3-triazoles from nitroallylic derivatives via a cycloaddition‒denitration process","New Journal of Chemistry","2018","42","2","980","","10.1039/C7NJ03292G","","","0.71073","MoKα","","0.0465","0.0422","","","0.1138","0.1179","","","","","","1.057","","","","has coordinates","230303","2020-10-21","18:00:00",""
"7056781","6.979","0.0007","8.4645","0.0009","19.895","0.002","90","","90","","90","","1175.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Cl2 N O2 S -","- C10 H9 Cl2 N O2 S -","- C40 H36 Cl8 N4 O8 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0245","0.0239","","","0.0642","0.0648","","","","","","1.023","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056782","31.2006","0.0017","10.1101","0.0005","5.9607","0.0004","90","","93.505","0.004","90","","1876.73","0.19","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H21 N O5 S -","- C16 H21 N O5 S -","- C64 H84 N4 O20 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0537","0.0492","","","0.1182","0.121","","","","","","1.097","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056783","10.0776","0.0004","6.3731","0.0003","13.224","0.0006","90","","90.418","0.001","90","","849.3","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H18 N2 O6 S -","- C15 H18 N2 O6 S -","- C30 H36 N4 O12 S2 -","2","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0239","0.0237","","","0.0646","0.0648","","","","","","1.01","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056784","9.4352","0.0011","10.4526","0.0012","18.336","0.002","90","","90","","90","","1808.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl2 N O4 S -","- C15 H17 Cl2 N O4 S -","- C60 H68 Cl8 N4 O16 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0387","0.0372","","","0.0933","0.0945","","","","","","1.094","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056785","22.5029","0.0005","22.5029","0.0005","6.4423","0.0002","90","","90","","90","","3262.26","0.14","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C120 H152 N8 O40 S8 -","8","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0681","0.0596","","","0.1567","0.1608","","","","","","1.111","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056786","7.607","0.005","11.845","0.005","12.098","0.005","85.314","0.005","76.322","0.005","84.973","0.005","1053","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H60 Ag N9 O17 -","- C32 H60 Ag N9 O17 -","- C32 H60 Ag N9 O17 -","1","0.5","","Yousuf, Imtiyaz; Usman, Mohammad; Ahmad, Musheer; Tabassum, Sartaj; Arjmand, Farukh","Single X-ray crystal structure, DFT studies and topoisomerase I inhibition activity of a tailored ionic Ag(i) nalidixic acid‒piperazinium drug entity specific for pancreatic cancer cells","New Journal of Chemistry","2018","42","1","506","","10.1039/C7NJ03602G","","","0.71073","MoKα","","0.0319","0.0294","","","0.0701","0.0713","","","","","","1.0704","","","","has coordinates,has disorder","230227","2020-10-21","18:00:00",""
"7056787","15.7895","0.0002","18.862","0.0003","18.1257","0.0002","90","","98.459","0.001","90","","5339.5","0.12","130","0.1","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H84 Mo3 N3 O20 V3 -","- C39 H84 Mo3 N3 O20 V3 -","- C156 H336 Mo12 N12 O80 V12 -","4","1","","Karoui, H.; Ritchie, C.","Microwave-assisted synthesis of organically functionalized hexa-molybdovanadates","New Journal of Chemistry","2018","42","1","25","","10.1039/C7NJ02820B","","x-ray","1.54184","CuKα","","0.037","0.0306","","","0.0804","0.0854","","","","","","1.028","","","","has coordinates,has disorder","230226","2020-10-21","18:00:00",""
"7056788","21.4889","0.0013","22.7196","0.0017","24.1556","0.0017","90.952","0.006","93.807","0.005","91.862","0.005","11758.9","1.4","130","0.1","130","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C39 H83 Mo3 N2 O21 V3 -","- C7 H11 Mo3 O21 V3 -","- C56 H88 Mo24 O168 V24 -","8","4","","Karoui, H.; Ritchie, C.","Microwave-assisted synthesis of organically functionalized hexa-molybdovanadates","New Journal of Chemistry","2018","42","1","25","","10.1039/C7NJ02820B","","x-ray","1.54184","CuKα","","0.1909","0.1501","","","0.3839","0.4348","","","","","","1.281","","","","has coordinates,has disorder","230226","2020-10-21","18:00:00",""
"7056789","15.7948","0.0003","18.5129","0.0003","18.243","0.0003","90","","100.088","0.002","90","","5251.92","0.16","130","0.1","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H82 Mo3 N4 O19 V3 -","- C38 H82 Mo3 N4 O19 V3 -","- C152 H328 Mo12 N16 O76 V12 -","4","1","","Karoui, H.; Ritchie, C.","Microwave-assisted synthesis of organically functionalized hexa-molybdovanadates","New Journal of Chemistry","2018","42","1","25","","10.1039/C7NJ02820B","","x-ray","1.54184","CuKα","","0.0758","0.0693","","","0.2428","0.2465","","","","","","1.157","","","","has coordinates,has disorder","230226","2020-10-21","18:00:00",""
"7056790","6.3565","0.0016","13.069","0.003","17.04","0.004","90.315","0.003","97.97","0.003","93.548","0.003","1399.1","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 La2 N2 O20 P2 -","- C18 H30 La2 N2 O20 P2 -","- C36 H60 La4 N4 O40 P4 -","2","1","","Wang, Ting-Ting; Su, Yu-Ming; Jiao, Cheng-Qi; Cai, Xiao-Ou; Sun, Hong-Mei; Zhu, Yan-Yu; Sun, Zhen-Gang","Lanthanide oxalatophosphonates with two types of layered structures: syntheses, structures, luminescence and magnetic properties","New Journal of Chemistry","2018","42","2","1235","","10.1039/C7NJ03690F","","","0.71073","MoKα","","0.0659","0.0433","","","0.1087","0.1237","","","","","","1","","","","has coordinates","230294","2020-10-21","18:00:00",""
"7056791","11.5659","0.0004","14.4845","0.0005","15.8549","0.0005","90","","109.415","0.001","90","","2505.07","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Eu2 N O23 P -","- C13 H26 Eu2 N O23 P -","- C52 H104 Eu8 N4 O92 P4 -","4","1","","Wang, Ting-Ting; Su, Yu-Ming; Jiao, Cheng-Qi; Cai, Xiao-Ou; Sun, Hong-Mei; Zhu, Yan-Yu; Sun, Zhen-Gang","Lanthanide oxalatophosphonates with two types of layered structures: syntheses, structures, luminescence and magnetic properties","New Journal of Chemistry","2018","42","2","1235","","10.1039/C7NJ03690F","","","0.71073","MoKα","","0.0285","0.0217","","","0.0499","0.0525","","","","","","1.035","","","","has coordinates,has disorder","230294","2020-10-21","18:00:00",""
"7056792","6.3158","0.0007","12.9942","0.0013","17.0265","0.0018","90.405","0.001","98.044","0.001","93.494","0.001","1380.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Ce2 N2 O20 P2 -","- C18 H30 Ce2 N2 O20 P2 -","- C36 H60 Ce4 N4 O40 P4 -","2","1","","Wang, Ting-Ting; Su, Yu-Ming; Jiao, Cheng-Qi; Cai, Xiao-Ou; Sun, Hong-Mei; Zhu, Yan-Yu; Sun, Zhen-Gang","Lanthanide oxalatophosphonates with two types of layered structures: syntheses, structures, luminescence and magnetic properties","New Journal of Chemistry","2018","42","2","1235","","10.1039/C7NJ03690F","","","0.71073","MoKα","","0.0524","0.0354","","","0.0954","0.1075","","","","","","1.014","","","","has coordinates","230294","2020-10-21","18:00:00",""
"7056793","11.4663","0.0004","14.3926","0.0005","15.8262","0.0006","90","","109.428","0.001","90","","2463.08","0.15","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Dy2 N O23 P -","- C13 H26 Dy2 N O23 P -","- C52 H104 Dy8 N4 O92 P4 -","4","1","","Wang, Ting-Ting; Su, Yu-Ming; Jiao, Cheng-Qi; Cai, Xiao-Ou; Sun, Hong-Mei; Zhu, Yan-Yu; Sun, Zhen-Gang","Lanthanide oxalatophosphonates with two types of layered structures: syntheses, structures, luminescence and magnetic properties","New Journal of Chemistry","2018","42","2","1235","","10.1039/C7NJ03690F","","","0.71073","MoKα","","0.0324","0.0243","","","0.0538","0.0567","","","","","","1.009","","","","has coordinates,has disorder","230294","2020-10-21","18:00:00",""
"7056794","6.2863","0.0006","12.9372","0.0012","17.022","0.0015","90.348","0.001","98.056","0.001","93.498","0.001","1368","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 N2 O20 P2 Pr2 -","- C18 H30 N2 O20 P2 Pr2 -","- C36 H60 N4 O40 P4 Pr4 -","2","1","","Wang, Ting-Ting; Su, Yu-Ming; Jiao, Cheng-Qi; Cai, Xiao-Ou; Sun, Hong-Mei; Zhu, Yan-Yu; Sun, Zhen-Gang","Lanthanide oxalatophosphonates with two types of layered structures: syntheses, structures, luminescence and magnetic properties","New Journal of Chemistry","2018","42","2","1235","","10.1039/C7NJ03690F","","","0.71073","MoKα","","0.0614","0.0332","","","0.0706","0.082","","","","","","1.023","","","","has coordinates","230294","2020-10-21","18:00:00",""
"7056795","11.785","0.005","12.353","0.005","15.745","0.005","112.037","0.005","103.923","0.005","98.618","0.005","1987.5","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H33 Cl4 Cu4 N12 O -","- C38 H33 Cl4 Cu4 N12 O -","- C76 H66 Cl8 Cu8 N24 O2 -","2","1","","Zabierowski, Piotr; Hodorowicz, Maciej; Szklarzewicz, Janusz","Templated metalophilicity: synthesis of halometallic double salts directed by a dicopper(i) hydrazinyl-tetraimine nanocation","New Journal of Chemistry","2018","42","2","817","","10.1039/C7NJ03919K","","","0.71073","MoKα","","0.0573","0.0437","","","0.1126","0.122","","","","","","1.041","","","","has coordinates","230298","2020-10-21","18:00:00",""
"7056796","10.1182","0.0002","12.9469","0.0003","12.1513","0.0004","90","","99.671","0.002","90","","1569.19","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N6 -","- C18 H16 N6 -","- C72 H64 N24 -","4","1","","Zabierowski, Piotr; Hodorowicz, Maciej; Szklarzewicz, Janusz","Templated metalophilicity: synthesis of halometallic double salts directed by a dicopper(i) hydrazinyl-tetraimine nanocation","New Journal of Chemistry","2018","42","2","817","","10.1039/C7NJ03919K","","","0.71073","MoKα","","0.0699","0.0407","","","0.1102","0.1301","","","","","","0.761","","","","has coordinates","230298","2020-10-21","18:00:00",""
"7056797","11.82","0.0003","12.8808","0.0003","15.647","0.0004","111.058","0.002","104.035","0.002","99.087","0.002","2076.29","0.1","120","2","120.8","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 Cl4 Cu2.5 La0.5 N12 O -","- C38 H38 Cl4 Cu2.5 La0.5 N12 O -","- C76 H76 Cl8 Cu5 La N24 O2 -","2","1","","Zabierowski, Piotr; Hodorowicz, Maciej; Szklarzewicz, Janusz","Templated metalophilicity: synthesis of halometallic double salts directed by a dicopper(i) hydrazinyl-tetraimine nanocation","New Journal of Chemistry","2018","42","2","817","","10.1039/C7NJ03919K","","x-ray","0.71073","MoKα","","0.061","0.0501","","","0.1356","0.1433","","","","","","1.067","","","","has coordinates","230298","2020-10-21","18:00:00",""
"7056798","11.6842","0.0003","12.3404","0.0004","15.7885","0.0003","112.226","0.003","102.317","0.002","98.889","0.003","1988","0.11","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Cl4 Cu3 Mn0.5 N12 O0 -","- C36 H32 Cl4 Cu3 Mn0.5 N12 -","- C72 H64 Cl8 Cu6 Mn N24 -","2","1","","Zabierowski, Piotr; Hodorowicz, Maciej; Szklarzewicz, Janusz","Templated metalophilicity: synthesis of halometallic double salts directed by a dicopper(i) hydrazinyl-tetraimine nanocation","New Journal of Chemistry","2018","42","2","817","","10.1039/C7NJ03919K","","","0.71073","MoKα","","0.0982","0.0731","","","0.1984","0.2262","","","","","","1.034","","","","has coordinates","230298","2020-10-21","18:00:00",""
"7056799","10.0102","0.0003","9.8872","0.0003","38.8711","0.0014","90","","90","","90","","3847.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H20 Co N2 O7 -","- C19 H20 Co N2 O7 -","- C152 H160 Co8 N16 O56 -","8","1","","Scaldini, Felipe Mageste; Ramalho Freitas, Maria Clara; De Souza Reis, Mario; Yoshida, Maria Irene; Krambrock, Klaus; Machado, Flávia Cavalieri","A Co(ii) 1D coordination polymer constructed from 1,3-bisbenzyl-2-oxoimidazoline-4,5-dicarboxylic acid: crystal structure and magnetic properties","New Journal of Chemistry","2018","42","2","1216","","10.1039/C7NJ04564F","","","0.71073","MoKα","","0.0685","0.0398","","","0.0845","0.0939","","","","","","1.037","","","","has coordinates","230301","2020-10-21","18:00:00",""
"7056800","9.3123","0.0019","10.147","0.002","16.201","0.003","83.79","0.03","76.06","0.03","67.55","0.03","1373","0.6","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 F6 N2 O4 P2 Pt2 -","- C50 H36 F6 N2 O4 P2 Pt2 -","- C50 H36 F6 N2 O4 P2 Pt2 -","1","0.5","","Paziresh, Sareh; Babadi Aghakhanpour, Reza; Rashidi, Mehdi; Nabavizadeh, S. Masoud","Simple tuning of the luminescence properties of the double rollover cycloplatinated(ii) structure by halide ligands","New Journal of Chemistry","2018","42","2","1337","","10.1039/C7NJ03817H","","","0.71073","MoKα","","0.0446","0.0326","","","0.068","0.0696","","","","","","0.849","","","","has coordinates","230293","2020-10-21","18:00:00",""
"7056801","9.2377","0.0003","33.9062","0.0009","9.4263","0.0003","90","","97.036","0.003","90","","2930.23","0.16","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H74 N2 O12 Sn4 -","- C50 H74 N2 O12 Sn4 -","- C100 H148 N4 O24 Sn8 -","2","1","","Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin","Fluorescent biogenic Schiff base compounds of dimethyltin","New Journal of Chemistry","2018","42","3","1655","","10.1039/C7NJ03731G","","","0.71073","MoKα","","0.0325","0.0265","","","0.0579","0.0624","","","","","","1.241","","","","has coordinates","230568","2020-10-21","18:00:00",""
"7056802","11.1773","0.0003","14.8332","0.0004","34.5406","0.0012","90","","90","","90","","5726.7","0.3","200","2","200","2","","","","","","","None","6","C 2 2 21","C 2c 2","20","","","","- C48 H70 N2 O12 S2 Sn4 -","- C48 H70 N2 O12 S2 Sn4 -","- C192 H280 N8 O48 S8 Sn16 -","4","0.5","","Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin","Fluorescent biogenic Schiff base compounds of dimethyltin","New Journal of Chemistry","2018","42","3","1655","","10.1039/C7NJ03731G","","","0.71073","MoKα","","0.0536","0.0372","","","0.0789","0.0871","","","","","","1.095","","","","has coordinates","230568","2020-10-21","18:00:00",""
"7056803","9.5407","0.0009","10.9474","0.0009","11.1232","0.0011","79.173","0.007","65.013","0.007","68.424","0.007","978.52","0.17","200","2","200","2","","","","","","","None","5","P -1","-P 1","2","","","","- C19 H23 N O5 Sn -","- C19 H23 N O5 Sn -","- C38 H46 N2 O10 Sn2 -","2","1","","Singh, Navjot; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Brendler, Erica; Wagler, Jörg; Kroke, Edwin","Fluorescent biogenic Schiff base compounds of dimethyltin","New Journal of Chemistry","2018","42","3","1655","","10.1039/C7NJ03731G","","","0.71073","MoKα","","0.022","0.0204","","","0.0514","0.0523","","","","","","1.118","","","","has coordinates","230568","2020-10-21","18:00:00",""
"7056804","9.4379","0.0009","12.1544","0.0011","9.8277","0.0009","90","","96.861","0.001","90","","1119.28","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Zhang, Lanlan; Wu, Yuhao; Shang, Yongjia","Divergent synthesis of 3,4-dihydrodibenzo[b,d]furan-1(2H)-ones and isocoumarins via additive-controlled chemoselective C‒C or C‒N bond cleavage","New Journal of Chemistry","2018","42","3","1673","","10.1039/C7NJ03799F","","","0.71073","MoKα","","0.047","0.0426","","","0.1065","0.1112","","","","","","1.101","","","","has coordinates","230564","2020-10-21","18:00:00",""
"7056805","8.8746","0.0006","15.3282","0.0011","10.0135","0.0007","90","","95.182","0.002","90","","1356.59","0.16","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Zhang, Lanlan; Wu, Yuhao; Shang, Yongjia","Divergent synthesis of 3,4-dihydrodibenzo[b,d]furan-1(2H)-ones and isocoumarins via additive-controlled chemoselective C‒C or C‒N bond cleavage","New Journal of Chemistry","2018","42","3","1673","","10.1039/C7NJ03799F","","","0.71073","MoKα","","0.0583","0.0487","","","0.1189","0.1304","","","","","","1.025","","","","has coordinates","230564","2020-10-21","18:00:00",""
"7056806","9.6856","0.0003","9.6856","0.0003","51.069","0.0016","90","","90","","90","","4790.8","0.3","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C23 H33 N3 O6 -","- C23 H33 N3 O6 -","- C184 H264 N24 O48 -","8","1","","Kotmale, Amol S.; Sangtani, Ekta; Gonnade, Rajesh G.; Sarkar, Dhiman; Burade, Sachin; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational studies of Ant‒Pro motif-incorporated cyclic peptides: gramicidin S and avellanin","New Journal of Chemistry","2018","42","2","1197","","10.1039/C7NJ03701E","","","1.54178","CuKα","","0.0432","0.0384","","","0.0844","0.0869","","","","","","1.022","","","","has coordinates","230296","2020-10-21","18:00:00",""
"7056807","13.3238","0.0005","7.2153","0.0003","13.5409","0.0006","90","","114.187","0.001","90","","1187.48","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 N3 O6 -","- C23 H33 N3 O6 -","- C46 H66 N6 O12 -","2","1","","Kotmale, Amol S.; Sangtani, Ekta; Gonnade, Rajesh G.; Sarkar, Dhiman; Burade, Sachin; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational studies of Ant‒Pro motif-incorporated cyclic peptides: gramicidin S and avellanin","New Journal of Chemistry","2018","42","2","1197","","10.1039/C7NJ03701E","","","0.71073","MoKα","","0.0382","0.0352","","","0.0856","0.0872","","","","","","1.038","","","","has coordinates","230296","2020-10-21","18:00:00",""
"7056808","11.4708","0.0006","14.4673","0.0007","9.4198","0.0005","90","","98.641","0.002","90","","1545.49","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","S130","","","- C34 H38 Cu2 N6 O4 -","- C34 H38 Cu2 N6 O4 -","- C68 H76 Cu4 N12 O8 -","2","0.5","","Khan, Samim; Sproules, Stephen; Natrajan, Louise S.; Harms, Klaus; Chattopadhyay, Shouvik","End-on cyanate or end-to-end thiocyanate bridged dinuclear copper(ii) complexes with a tridentate Schiff base blocking ligand: synthesis, structure and magnetic studies","New Journal of Chemistry","2018","42","3","1634","","10.1039/C7NJ03990E","","","0.71073","MoKα","","0.0231","0.0207","","","0.055","0.0562","","","","","","1.084","","","","has coordinates","230571","2020-10-21","18:00:00",""
"7056809","15.51","0.0004","7.1497","0.0003","19.7873","0.0005","90","","101.121","0.002","90","","2153.05","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cu2 N8 O6 S2 -","- C40 H56 Cu2 N8 O6 S2 -","- C80 H112 Cu4 N16 O12 S4 -","2","0.5","","Khan, Samim; Sproules, Stephen; Natrajan, Louise S.; Harms, Klaus; Chattopadhyay, Shouvik","End-on cyanate or end-to-end thiocyanate bridged dinuclear copper(ii) complexes with a tridentate Schiff base blocking ligand: synthesis, structure and magnetic studies","New Journal of Chemistry","2018","42","3","1634","","10.1039/C7NJ03990E","","","0.71073","MoKα","","0.0281","0.0243","","","0.0738","0.0748","","","","","","1.079","","","","has coordinates","230571","2020-10-21","18:00:00",""
"7056810","14.6027","0.0007","7.1994","0.0004","18.1327","0.001","90","","107.694","0.002","90","","1816.12","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F N4 O2 S -","- C20 H15 F N4 O2 S -","- C80 H60 F4 N16 O8 S4 -","4","1","","Grice, Kyle A.; Patil, Renukadevi; Ghosh, Anandita; Paner, Jesse D.; Guerrero, Michael A.; Camacho, Ehxciquiel Jaeroume M.; Sun Cao, Phoebus; Niyazi, Aeshah H.; Zainab, Sitwat; Sommer, Roger D.; Waris, Gulam; Patil, Shivaputra","Understanding the structure and reactivity of the C‒S linkage in biologically active 5-arylthio-5H-chromenopyridines","New Journal of Chemistry","2018","42","2","1151","","10.1039/C7NJ03724D","","","0.71073","MoKα","","0.0553","0.0377","","","0.093","0.1018","","","","","","1.025","","","","has coordinates","230290","2020-10-21","18:00:00",""
"7056811","21.6226","0.0004","14.4826","0.0004","13.0479","0.0003","90","","112.052","0.002","90","","3787.05","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SP123","","","- C21 H18 N4 O3 S -","- C21 H18 N4 O3 S -","- C168 H144 N32 O24 S8 -","8","1","","Grice, Kyle A.; Patil, Renukadevi; Ghosh, Anandita; Paner, Jesse D.; Guerrero, Michael A.; Camacho, Ehxciquiel Jaeroume M.; Sun Cao, Phoebus; Niyazi, Aeshah H.; Zainab, Sitwat; Sommer, Roger D.; Waris, Gulam; Patil, Shivaputra","Understanding the structure and reactivity of the C‒S linkage in biologically active 5-arylthio-5H-chromenopyridines","New Journal of Chemistry","2018","42","2","1151","","10.1039/C7NJ03724D","","","0.71073","MoKα","","0.056","0.0393","","","0.0945","0.1053","","","","","","1.029","","","","has coordinates","230290","2020-10-21","18:00:00",""
"7056812","12.513","0.002","23.56","0.004","12.192","0.002","90","","113.435","0.002","90","","3297.8","0.9","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Co2 Dy2 N2 O20 -","- C66 H64 Co2 Dy2 N2 O20 -","- C132 H128 Co4 Dy4 N4 O40 -","2","0.5","","Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; He, Zhangzhen","Synthesis, structures and magnetic properties of linear {CoII2LnIII2} coordination clusters","New Journal of Chemistry","2018","42","2","1284","","10.1039/C7NJ04022A","","","0.71073","MoKα","","0.0278","0.0261","","","0.0739","0.0748","","","","","","1.083","","","","has coordinates","230299","2020-10-21","18:00:00",""
"7056813","12.481","0.007","23.401","0.013","12.163","0.008","90","","113.477","0.011","90","","3258","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Co2 N2 O20 Y2 -","- C66 H64 Co2 N2 O20 Y2 -","- C132 H128 Co4 N4 O40 Y4 -","2","0.5","","Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; He, Zhangzhen","Synthesis, structures and magnetic properties of linear {CoII2LnIII2} coordination clusters","New Journal of Chemistry","2018","42","2","1284","","10.1039/C7NJ04022A","","","0.71073","MoKα","","0.0592","0.0522","","","0.1297","0.134","","","","","","1.109","","","","has coordinates","230299","2020-10-21","18:00:00",""
"7056814","12.454","0.005","23.648","0.009","12.216","0.005","90","","113.724","0.007","90","","3294","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Co2 Gd2 N2 O20 -","- C66 H64 Co2 Gd2 N2 O20 -","- C132 H128 Co4 Gd4 N4 O40 -","2","0.5","","Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; He, Zhangzhen","Synthesis, structures and magnetic properties of linear {CoII2LnIII2} coordination clusters","New Journal of Chemistry","2018","42","2","1284","","10.1039/C7NJ04022A","","","0.71073","MoKα","","0.0537","0.0426","","","0.0874","0.0928","","","","","","1.05","","","","has coordinates","230299","2020-10-21","18:00:00",""
"7056815","11.7364","0.0003","11.7364","0.0003","11.7364","0.0003","90","","90","","90","","1616.61","0.07","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","(Hg6P4)(CrCl6)Cl","","- Cl7 Cr Hg6 P4 -","- Cl7 Cr Hg6 P4 -","- Cl28 Cr4 Hg24 P16 -","4","0.166667","","Peng, Si-Yan; Yang, Liu-Sai; Yao, Ming-Shui; Yu, Le-Shu","A new pnictidehalide with van der Waals host‒guest interactions exhibiting both geometric spin frustration and resistive humidity sensitivity","New Journal of Chemistry","2018","42","3","1787","","10.1039/C7NJ03351F","","","0.71073","MoKα","","0.0284","0.0264","","","0.0681","0.0687","","","","","","1.097","","","","has coordinates","230570","2020-10-21","18:00:00",""
"7056816","19.1652","0.0002","15.1252","0.0004","7.3394","0.0001","90","","90","","90","","2127.53","0.07","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mn(2-MIm)2[Fe(CN)5NO]2H2O","Manganese bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe2 Mn2 N20 O6 -","- C13 Fe Mn N10 O3 -","- C52 Fe4 Mn4 N40 O12 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","13.671","1.449","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056817","19.0005","0.0002","14.7563","0.0001","7.1233","0.0005","90","","90","","90","","1997.21","0.14","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ni(2-MIm)2[Fe(CN)5NO]2H2O","Nikel bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe2 N20 Ni2 O6 -","- C26 Fe2 N20 Ni2 O6 -","- C52 Fe4 N40 Ni4 O12 -","2","0.5","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","7.253","1.769","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056818","19","0.0005","14.9003","0.0005","7.1784","0.0002","90","","90","","90","","2032.25","0.1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co(2-MIm)2[Fe(CN)5NO]2H2O","Cobalt bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Co2 Fe2 N20 O6 -","- C13 Co Fe N10 O2 -","- C52 Co4 Fe4 N40 O8 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","13.219","1.2","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056819","19.0271","0.0004","14.9773","0.0005","7.249","0.0001","90","","90","","90","","2065.78","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fe(2-MIm)2[Fe(CN)5NO]2H2O","Iron bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe4 N20 O6 -","- C13 Fe2 N10 O2 -","- C52 Fe8 N40 O8 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","11.633","1.191","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056820","20.7006","0.0007","10.2318","0.0003","14.8913","0.0005","90","","133.694","0.001","90","","2280.5","0.13","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C120 H88 N8 O16 -","8","1","","Lozano-Gonzalez, Mariana; Ramírez-Apan, María Teresa; Nieto-Camacho, Antonio; Toscano, Ruben Alfredo; Sanchez-Sandoval, Ana Laura; Alvarez-Toledano, Cecilio","Anticarcinogenic and metal chelation properties of novel hydroxybenzylidene-1-indanone derivatives in the U-251 glioblastoma cell line","New Journal of Chemistry","2018","42","5","3878","","10.1039/C7NJ04266C","","","0.71073","MoKα","","0.0638","0.0424","","","0.0973","0.113","","","","","","1.029","","","","has coordinates","230255","2020-10-21","18:00:00",""
"7056821","22.449","0.005","12.536","0.003","11.224","0.002","90","","99.98","0.004","90","","3110.9","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe O2 -","- C20 H16 Fe O2 -","- C160 H128 Fe8 O16 -","8","2","","Lozano-Gonzalez, Mariana; Ramírez-Apan, María Teresa; Nieto-Camacho, Antonio; Toscano, Ruben Alfredo; Sanchez-Sandoval, Ana Laura; Alvarez-Toledano, Cecilio","Anticarcinogenic and metal chelation properties of novel hydroxybenzylidene-1-indanone derivatives in the U-251 glioblastoma cell line","New Journal of Chemistry","2018","42","5","3878","","10.1039/C7NJ04266C","","","0.71073","MoKα","","0.1906","0.1139","","","0.1075","0.1194","","","","","","1.134","","","","has coordinates,has disorder","230255","2020-10-21","18:00:00",""
"7056822","33.5336","0.0006","13.8058","0.0003","15.6001","0.0004","90","","111.439","0.002","90","","6722.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Cl2 Fe2 N7 P3 -","- C28 H36 Cl2 Fe2 N7 P3 -","- C224 H288 Cl16 Fe16 N56 P24 -","8","1","","Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer","Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities","New Journal of Chemistry","2018","42","3","1740","","10.1039/C7NJ03643D","","","0.71073","MoKα","","0.1056","0.0725","","","0.1394","0.1595","","","","","","1.06","","","","has coordinates","230566","2020-10-21","18:00:00",""
"7056823","12.0597","0.0003","12.0704","0.0003","13.6777","0.0004","94.87","0.003","94.937","0.003","118.558","0.004","1724.11","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 Fe2 N7 P3 -","- C30 H40 Cl2 Fe2 N7 P3 -","- C60 H80 Cl4 Fe4 N14 P6 -","2","1","","Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer","Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities","New Journal of Chemistry","2018","42","3","1740","","10.1039/C7NJ03643D","","","0.71073","MoKα","","0.067","0.0547","","","0.1347","0.1457","","","","","","1.185","","","","has coordinates","230566","2020-10-21","18:00:00",""
"7056824","9.2205","0.0003","18.7632","0.0005","19.8553","0.0005","90","","97.007","0.003","90","","3409.43","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 Cl2 Fe2 N7 P3 -","- C30 H40 Cl2 Fe2 N7 P3 -","- C120 H160 Cl8 Fe8 N28 P12 -","4","1","","Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer","Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities","New Journal of Chemistry","2018","42","3","1740","","10.1039/C7NJ03643D","","","0.71073","MoKα","","0.0546","0.0383","","","0.0818","0.0927","","","","","","1.09","","","","has coordinates","230566","2020-10-21","18:00:00",""
"7056825","14.6671","0.0003","16.1963","0.0004","17.2882","0.0004","85.935","0.004","69.201","0.003","64.861","0.003","3460.02","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 Fe2 N7 P3 -","- C30 H40 Cl2 Fe2 N7 P3 -","- C120 H160 Cl8 Fe8 N28 P12 -","4","2","","Tümer, Yasemin; Asmafiliz, Nuran; Zeyrek, C. Tuğrul; Kılıç, Zeynel; Açık, Leyla; Çelik, S. Pınar; Türk, Mustafa; Çağdaş Tunalı, B.; Ünver, Hüseyin; Hökelek, Tuncer","Syntheses, spectroscopic and crystallographic characterizations of cis- and trans-dispirocyclic ferrocenylphosphazenes: molecular dockings, cytotoxic and antimicrobial activities","New Journal of Chemistry","2018","42","3","1740","","10.1039/C7NJ03643D","","","0.71073","MoKα","","0.0843","0.0531","","","0.1319","0.1562","","","","","","1.059","","","","has coordinates","230566","2020-10-21","18:00:00",""
"7056826","7.4895","0.0004","28.0652","0.0015","9.2016","0.0006","90","","91.862","0.002","90","","1933.1","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H22 Cl3 N3 O Zr -","- C17 H22 Cl3 N3 O Zr -","- C68 H88 Cl12 N12 O4 Zr4 -","4","1","","Pinheiro, A. C.; da Silva, S. M.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Synthesis and structural characterization of zirconium complexes supported by tridentate pyrrolide-imino ligands with pendant N-, O- and S-donor groups and their application in ethylene polymerization","New Journal of Chemistry","2018","42","2","1477","","10.1039/C7NJ04074A","","x-ray","0.71073","MoKα","","0.0458","0.0323","","","0.0654","0.0712","","","","","","1.049","","","","has coordinates","230302","2020-10-21","18:00:00",""
"7056827","15.6351","0.0004","7.2529","0.0002","16.5555","0.0003","90","","95.551","0.001","90","","1868.59","0.08","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H21 Cl2 N3 O Zr -","- C17 H21 Cl2 N3 O Zr -","- C68 H84 Cl8 N12 O4 Zr4 -","4","1","","Pinheiro, A. C.; da Silva, S. M.; Roisnel, T.; Kirillov, E.; Carpentier, J.-F.; Casagrande, Osvaldo L.","Synthesis and structural characterization of zirconium complexes supported by tridentate pyrrolide-imino ligands with pendant N-, O- and S-donor groups and their application in ethylene polymerization","New Journal of Chemistry","2018","42","2","1477","","10.1039/C7NJ04074A","","x-ray","0.71073","MoKα","","0.0342","0.0279","","","0.0717","0.0753","","","","","","1.053","","","","has coordinates","230302","2020-10-21","18:00:00",""
"7056828","16.5855","0.0007","15.671","0.0008","23.4002","0.0012","90","","90","","90","","6082","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Cl N3 O3 Rh -","- C32 H37 Cl N3 O3 Rh -","- C256 H296 Cl8 N24 O24 Rh8 -","8","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0437","0.0356","","","0.0732","0.0763","","","","","","1.111","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056829","11.5855","0.0007","20.6617","0.0011","15.7428","0.0009","90","","101.585","0.006","90","","3691.7","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 F3 N6 O4 Rh -","- C37 H38 F3 N6 O4 Rh -","- C148 H152 F12 N24 O16 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0934","0.0603","","","0.1151","0.1278","","","","","","1.083","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056830","8.07","0.005","15.118","0.005","24.291","0.005","90","","90","","90","","2964","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Cl3 N6 Rh -","- C29 H28 Cl3 N6 Rh -","- C116 H112 Cl12 N24 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0488","0.0425","","","0.0808","0.0833","","","","","","1.102","","","","has coordinates,has disorder","230567","2020-10-21","18:00:00",""
"7056831","8.5148","0.0005","23.9553","0.0015","15.3322","0.0009","90","","104.954","0.006","90","","3021.5","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H37 Cl N3 Rh -","- C32 H37 Cl N3 Rh -","- C128 H148 Cl4 N12 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0281","0.0258","","","0.0603","0.0615","","","","","","1.1","","","","has coordinates,has disorder","230567","2020-10-21","18:00:00",""
"7056832","9.108","0.005","15.326","0.007","15.923","0.003","70.18","0.03","76.95","0.03","91.43","0.04","2024.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 Cl6 N6 O4 Rh -","- C36 H35 Cl6 N6 O4 Rh -","- C72 H70 Cl12 N12 O8 Rh2 -","2","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.1041","0.0685","","","0.1493","0.1775","","","","","","1.052","","","","has coordinates,has disorder","230567","2020-10-21","18:00:00",""
"7056833","8.019","0.0013","15.4071","0.0012","12.3484","0.0018","90","","96.644","0.014","90","","1515.4","0.4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H37 Cl Ir N3 O3 -","- C32 H37 Cl Ir N3 O3 -","- C64 H74 Cl2 Ir2 N6 O6 -","2","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0371","0.0321","","","0.0531","0.0559","","","","","","1.016","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056834","8.8527","0.0008","20.0313","0.0013","16.1061","0.0009","90","","104.206","0.007","90","","2768.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 F3 N6 Rh -","- C29 H28 F3 N6 Rh -","- C116 H112 F12 N24 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.1087","0.0737","","","0.1201","0.1308","","","","","","1.164","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056835","7.7877","0.0002","10.8878","0.0003","18.3953","0.0005","93.177","0.002","100.148","0.002","98.666","0.002","1512.43","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 N6 O3 Rh -","- C32 H37 N6 O3 Rh -","- C64 H74 N12 O6 Rh2 -","2","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0333","0.0303","","","0.0786","0.0804","","","","","","1.11","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056836","11.477","0.0004","21.3791","0.0006","12.3167","0.0004","90","","98.643","0.003","90","","2987.8","0.17","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 N6 Rh -","- C32 H37 N6 Rh -","- C128 H148 N24 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0644","0.0457","","","0.088","0.0951","","","","","","1.068","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056837","9.2161","0.0004","25.0946","0.0009","16.4992","0.0006","90","","102.663","0.004","90","","3723","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H43 N6 O7 Rh -","- C38 H43 N6 O7 Rh -","- C152 H172 N24 O28 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.1238","0.0738","","","0.1191","0.1362","","","","","","1.088","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056838","46.5307","0.001","8.6162","0.0003","15.9481","0.0003","90","","93.121","0.002","90","","6384.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H43 Cl N3 Rh -","- C35 H43 Cl N3 Rh -","- C280 H344 Cl8 N24 Rh8 -","8","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0566","0.0475","","","0.1047","0.1088","","","","","","1.15","","","","has coordinates","230567","2020-10-21","18:00:00",""
"7056839","3.9167","0.0005","12.712","0.002","27.168","0.004","90","","91.078","0.007","90","","1352.4","0.3","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Kachwal, Vishal; Alam, Parvej; Yadav, Hare Ram; Pasha, Sheik Saleem; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman","Simple ratiometric push‒pull with an ‘aggregation induced enhanced emission’ active pyrene derivative: a multifunctional and highly sensitive fluorescent sensor","New Journal of Chemistry","2018","42","2","1133","","10.1039/C7NJ03964F","","","0.71075","MoKα","","0.1185","0.0722","","","0.1687","0.1985","","","","","","1.105","","","","has coordinates","230297","2020-10-21","18:00:00",""
"7056840","8.8094","0.0005","11.2917","0.0008","14.9528","0.0009","73.214","0.005","85.325","0.004","83.268","0.005","1412.43","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>'-[(<i>E</i>)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide","<i>N</i>'-[(<i>E</i>)-(2-methoxyphenyl)methylidene]benzenesulfonohydrazide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","2","","Hussain, Mohammad Musarraf; Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","Fabrication of a Ga3+ sensor probe based on methoxybenzylidenebenzenesulfonohydrazide (MBBSH) by an electrochemical approach","New Journal of Chemistry","2018","42","2","1169","","10.1039/C7NJ01891F","","","0.71073","MoKα","","0.0529","0.041","","","0.1098","0.1222","","","","","","0.963","","","","has coordinates","230292","2020-10-21","18:00:00",""
"7056841","12.1076","0.0009","8.003","0.0004","15.9338","0.0013","90","","110.86","0.009","90","","1442.74","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>'-[(<i>E</i>)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide","<i>N</i>'-[(<i>E</i>)-(4-methoxyphenyl)methylidene]benzenesulfonohydrazide","","- C14 H14 N2 O3 S -","- C14 H14 N2 O3 S -","- C56 H56 N8 O12 S4 -","4","1","","Hussain, Mohammad Musarraf; Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","Fabrication of a Ga3+ sensor probe based on methoxybenzylidenebenzenesulfonohydrazide (MBBSH) by an electrochemical approach","New Journal of Chemistry","2018","42","2","1169","","10.1039/C7NJ01891F","","","0.71073","MoKα","","0.0783","0.0538","","","0.1417","0.1697","","","","","","0.865","","","","has coordinates,has disorder","230292","2020-10-21","18:00:00",""
"7056842","10.662","0.005","9.759","0.005","12.764","0.006","90","","113.318","0.016","90","","1219.6","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Oxadiazaborinium","'1,1-difluoro-3-(p-tolyl)-1H-pyrido[1,2-C][1,3,5,2] oxadiazaborinin-9-ium-1-uide'","","- C13 H11 B F2 N2 O -","- C13 H11 B F2 N2 O -","- C52 H44 B4 F8 N8 O4 -","4","1","","Bonacorso, Helio G.; Calheiro, Tainara P.; Iglesias, Bernardo A.; Acunha, Thiago V.; Franceschini, Steffany Z.; Ketzer, Alex; Meyer, Alexandre R.; Rodrigues, Letícia V.; Nogara, Pablo A.; Rocha, João B. T.; Zanatta, Nilo; Martins, Marcos A. P.","1,1-Difluoro-3-aryl(heteroaryl)-1H-pyrido[1,2-c][1,3,5,2]oxadiazaborinin-9-ium-1-uides: synthesis; structure; and photophysical, electrochemical, and BSA-binding studies","New Journal of Chemistry","2018","42","3","1913","","10.1039/C7NJ04032F","","x-ray","0.71073","MoKα","","0.0691","0.0592","","","0.152","0.1592","","","","","","1.079","","","","has coordinates","230572","2020-10-21","18:00:00",""
"7056843","17.3115","0.0008","6.3966","0.0002","18.3592","0.0009","90","","111.585","0.006","90","","1890.43","0.16","298.5","","298.5","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1'-((1-benzyl-1H-tetrazol-5-yl)methyl)spiro[indoline-3,3'-pyrrolidin]-2-one","","- C20 H20 N6 O -","- C20 H20 N6 O -","- C80 H80 N24 O4 -","4","1","","Alvarez-Rodríguez, Nancy V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Cárdenas-Galindo, Luis E.; Unnamatla, M. V. Basavanag; Gámez-Montaño, Rocío","Synthesis of 1′-tetrazolylmethyl-spiro[pyrrolidine-3,3′-oxindoles] via two coupled one-pot processes Ugi-azide/Pictet‒Spengler and oxidative spiro-rearrangement","New Journal of Chemistry","2018","42","3","1600","","10.1039/C7NJ03829A","","x-ray","0.71073","MoKα","","0.101","0.075","","","0.2133","0.2298","","","","","","1.0505","","","","has coordinates","230563","2020-10-21","18:00:00",""
"7056844","8.22814","0.00016","32.213","0.0005","7.46549","0.00015","90","","109.201","0.002","90","","1868.67","0.06","294","","294","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-((1-(2,6-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2,3,4,9-tetrahydro-1H-2l4-pyrido[3,4-b]indole","","- C21 H23 N6 -","- C21 H23 N6 -","- C84 H92 N24 -","4","1","","Alvarez-Rodríguez, Nancy V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Cárdenas-Galindo, Luis E.; Unnamatla, M. V. Basavanag; Gámez-Montaño, Rocío","Synthesis of 1′-tetrazolylmethyl-spiro[pyrrolidine-3,3′-oxindoles] via two coupled one-pot processes Ugi-azide/Pictet‒Spengler and oxidative spiro-rearrangement","New Journal of Chemistry","2018","42","3","1600","","10.1039/C7NJ03829A","","x-ray","1.54184","CuKα","","0.0554","0.0489","","","0.1366","0.1433","","","","","","1.054","","","","has coordinates","230563","2020-10-21","18:00:00",""
"7056845","9.386","0.0016","3.5384","0.0006","12.154","0.002","90","","109.139","0.006","90","","381.34","0.11","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","3-amino-1,2,4-oxadiazol-5-one","amino oxadiazolone","","- C2 H3 N3 O2 -","- C2 H3 N3 O2 -","- C8 H12 N12 O8 -","4","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.0417","0.0388","","","0.0862","0.0875","","","","","","1.113","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7056846","8.5972","0.0003","9.4798","0.0003","14.2271","0.0005","90","","96.2613","0.0013","90","","1152.59","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dioxime (4c)","Dioxime (4c)","","- C3 H8 N4 O2 -","- C3 H8 N4 O2 -","- C24 H64 N32 O16 -","8","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.0589","0.0474","","","0.119","0.132","","","","","","1.085","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7056847","7.0644","0.0002","6.1129","0.0002","12.3876","0.0005","90","","105.656","0.0012","90","","515.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","AOD-Hydroxylamine","AOD-HyAm","","- C2 H6 N4 O3 -","- C2 H6 N4 O3 -","- C8 H24 N16 O12 -","4","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.0466","0.0384","","","0.0872","0.091","","","","","","1.077","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7056848","13.3609","0.0004","10.8742","0.0004","3.7046","0.0001","90","","90","","90","","538.24","0.03","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","AOD-HY","AOD-Hydrazinium","","- C2 H7 N5 O2 -","- C2 H7 N5 O2 -","- C8 H28 N20 O8 -","4","1","","Kumar, A. Sudheer; Sasidharan, Nimesh; Ganguly, Rakesh; Leow, Dasheng; Hng, Huey Hoon","3-Amino-1,2,4(4H)-oxadiazol-5-one (AOD) and its nitrogen-rich salts: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","3","1840","","10.1039/C7NJ03950F","","","0.71073","MoKα","","0.032","0.0296","","","0.0712","0.073","","","","","","1.079","","","","has coordinates","230573","2020-10-21","18:00:00",""
"7056849","16.9402","0.001","12.8694","0.0008","21.046","0.0013","90","","90","","90","","4588.2","0.5","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H40 Cl2 N10 O22 Zn2 -","- C36 H39.976 Cl2 N10 O21.976 Zn2 -","- C144 H159.904 Cl8 N40 O87.904 Zn8 -","4","0.5","","Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.","Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity","New Journal of Chemistry","2018","42","3","2204","","10.1039/C7NJ03759G","","","0.71073","MoKα","","0.0766","0.0553","","","0.1662","0.1786","","","","","","1.069","","","","has coordinates,has disorder","230562","2020-10-21","18:00:00",""
"7056850","24.6376","0.0011","13.3432","0.0005","22.2182","0.0009","90","","116.285","0.003","90","","6548.9","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H71 N16 O25 Zn3 -","- C60 H69 N16 O25 Zn3 -","- C240 H276 N64 O100 Zn12 -","4","0.5","","Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.","Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity","New Journal of Chemistry","2018","42","3","2204","","10.1039/C7NJ03759G","","","0.71073","MoKα","","0.0576","0.0382","","","0.0909","0.1027","","","","","","1.101","","","","has coordinates,has disorder","230562","2020-10-21","18:00:00",""
"7056851","14.083","0.0009","14.4192","0.0009","18.1214","0.0012","82.062","0.002","80.733","0.002","67.905","0.002","3353","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H57 N17 O18 Zn3 -","- C60 H57 N17 O18 Zn3 -","- C120 H114 N34 O36 Zn6 -","2","1","","Joshi, Pooja; Hussain, Navid; Ali, Shah Raj; Rishu, Rishu; Bhardwaj, Vimal K.","Enhanced activity of trinuclear Zn(ii) complexes towards phosphate ester bond cleavage by introducing three-metal cooperativity","New Journal of Chemistry","2018","42","3","2204","","10.1039/C7NJ03759G","","","0.71073","MoKα","","0.0476","0.0371","","","0.1004","0.1054","","","","","","1.074","","","","has coordinates,has disorder","230562","2020-10-21","18:00:00",""
"7056852","9.6163","0.0019","10.933","0.002","15.489","0.003","82.36","0.03","79.31","0.03","72.56","0.03","1521.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 B Cu N4 P S2 -","- C32 H24 B Cu N4 P S2 -","- C64 H48 B2 Cu2 N8 P2 S4 -","2","1","","Neshat, Abdollah; Varestan, Solmaz; Halvagar, Mohammad Reza","Cu(i) complexes of dihydrobis(2-mercapto-benzimidazolyl)borate and dihydrobis(2-mercapto-benzothiazolyl)borate ligands: structural, photophysical and computational studies","New Journal of Chemistry","2018","42","3","2036","","10.1039/C7NJ03521G","","","0.71073","MoKα","","0.3028","0.066","","","0.1114","0.1742","","","","","","0.565","","","","has coordinates","230569","2020-10-21","18:00:00",""
"7056853","10.495","0.002","23.223","0.005","14.166","0.003","90","","90.5","0.03","90","","3452.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 B Cu N2 P S4 -","- C32 H43 B Cu N2 P S4 -","- C128 H172 B4 Cu4 N8 P4 S16 -","4","1","","Neshat, Abdollah; Varestan, Solmaz; Halvagar, Mohammad Reza","Cu(i) complexes of dihydrobis(2-mercapto-benzimidazolyl)borate and dihydrobis(2-mercapto-benzothiazolyl)borate ligands: structural, photophysical and computational studies","New Journal of Chemistry","2018","42","3","2036","","10.1039/C7NJ03521G","","","0.71073","MoKα","","0.128","0.0589","","","0.1233","0.1345","","","","","","0.816","","","","has coordinates","230569","2020-10-21","18:00:00",""
"7056854","10.0889","0.0019","12.557","0.002","14.792","0.003","90","","99.009","0.002","90","","1850.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 F2 N4 O11 U2 -","- C34 H22 F2 N4 O11 U2 -","- C68 H44 F4 N8 O22 U4 -","2","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.044","0.0346","","","0.0815","0.0877","","","","","","1.101","","","","has coordinates,has disorder","230561","2020-10-21","18:00:00",""
"7056855","8.3678","0.0018","9.0091","0.0019","12.351","0.003","108.014","0.004","90.369","0.002","107.51","0.003","839.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl2 N4 O10 U2 -","- C34 H24 Cl2 N4 O10 U2 -","- C34 H24 Cl2 N4 O10 U2 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0373","0.0277","","","0.0549","0.057","","","","","","1.096","","","","has coordinates","230561","2020-10-21","18:00:00",""
"7056856","9.8501","0.0008","12.573","0.001","14.8854","0.0011","90","","100.432","0.004","90","","1813","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 I2 N4 O10 U2 -","- C34 H24 I2 N4 O10 U2 -","- C68 H48 I4 N8 O20 U4 -","2","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0494","0.0433","","","0.1121","0.1166","","","","","","1.047","","","","has coordinates,has disorder","230561","2020-10-21","18:00:00",""
"7056857","10.732","0.003","10.901","0.003","11.2","0.003","66.59","0.004","89.273","0.005","61.239","0.004","1027.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Br6 N4 O10 U2 -","- C36 H24 Br6 N4 O10 U2 -","- C36 H24 Br6 N4 O10 U2 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0641","0.0424","","","0.0837","0.091","","","","","","1.015","","","","has coordinates,has disorder","230561","2020-10-21","18:00:00",""
"7056858","10.209","0.004","10.899","0.005","16.989","0.005","107.023","0.003","101.547","0.005","97.572","0.004","1734","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O10 U2 -","- C36 H30 N4 O10 U2 -","- C72 H60 N8 O20 U4 -","2","1","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0824","0.0443","","","0.0905","0.1034","","","","","","1.029","","","","has coordinates","230561","2020-10-21","18:00:00",""
"7056859","13.883","0.004","9.735","0.003","23.617","0.007","90","","96.254","0.005","90","","3172.9","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N4 O10 S2 U2 -","- C30 H22 N4 O10 S2 U2 -","- C120 H88 N16 O40 S8 U8 -","4","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0703","0.046","","","0.079","0.0847","","","","","","1.147","","","","has coordinates","230561","2020-10-21","18:00:00",""
"7056860","10.521","0.004","10.766","0.005","11.35","0.004","95.865","0.005","105.083","0.004","116.297","0.003","1077.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H28 Br4 N4 O14 U2 -","- C38 H28 Br4 N4 O14 U2 -","- C38 H28 Br4 N4 O14 U2 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0325","0.0257","","","0.0557","0.0577","","","","","","1.038","","","","has coordinates","230561","2020-10-21","18:00:00",""
"7056861","8.172","0.005","20.318","0.013","10.369","0.007","90","","111.78","0.009","90","","1598.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br4 N4 O10 U2 -","- C24 H18 Br4 N4 O10 U2 -","- C48 H36 Br8 N8 O20 U4 -","2","0.5","","Ridenour, J. August; Cahill, Christopher L.","Synthesis, structural analysis, and supramolecular assembly of a series of in situ generated uranyl‒peroxide complexes with functionalized 2,2′-bipyridine and varied carboxylic acid ligands","New Journal of Chemistry","2018","42","3","1816","","10.1039/C7NJ03828C","","x-ray","0.71073","MoKα","","0.0244","0.0192","","","0.0377","0.0389","","","","","","1.047","","","","has coordinates","230561","2020-10-21","18:00:00",""
"7056862","8.586","0.001","8.607","0.001","9.1858","0.0012","85.11","0.014","84.7","0.013","78.652","0.016","661.15","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Cu2(Et3en)2(N3)4]","","","- C16 H40 Cu2 N16 -","- C16 H40 Cu2 N16 -","- C16 H40 Cu2 N16 -","1","0.5","","Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.","Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality","New Journal of Chemistry","2018","42","4","2627","","10.1039/C7NJ04150K","","","0.71073","MoKα","","0.0389","0.0355","","","0.0931","0.0958","","","","","","1.058","","","","has coordinates","230281","2020-10-21","18:00:00",""
"7056863","11.873","0.001","12.0334","0.0011","19.5852","0.0014","90","","107.191","0.009","90","","2673.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Cu(N3)(en(isopropyl)2]2","","","- C16 H40 Cu2 N16 -","- C16 H40 Cu2 N16 -","- C64 H160 Cu8 N64 -","4","1","","Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.","Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality","New Journal of Chemistry","2018","42","4","2627","","10.1039/C7NJ04150K","","","0.71073","MoKα","","0.0451","0.0407","","","0.0936","0.095","","","","","","1.115","","","","has coordinates","230281","2020-10-21","18:00:00",""
"7056864","12.326","0.0014","6.81","0.001","13.466","0.0016","90","","117.036","0.003","90","","1006.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cu(ambza)(N3)2]n","","","- C7 H10 Cu N8 -","- C7 H10 Cu N8 -","- C28 H40 Cu4 N32 -","4","1","","Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.","Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality","New Journal of Chemistry","2018","42","4","2627","","10.1039/C7NJ04150K","","","0.71073","MoKα","","0.056","0.0457","","","0.0992","0.1034","","","","","","1.117","","","","has coordinates","230281","2020-10-21","18:00:00",""
"7056865","7.8921","0.0009","12.8529","0.0012","13.2899","0.0014","70.941","0.013","82.294","0.014","82.146","0.014","1256.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu2(N3)3(Et2,Me-en)2]n(ClO4)n","","","- C14 H36 Cl Cu2 N13 O4 -","- C14 H36 Cl Cu2 N13 O4 -","- C28 H72 Cl2 Cu4 N26 O8 -","2","1","","Massoud, Salah S.; Henary, Maher M.; Maxwell, Lindley; Martín, Alejandro; Ruiz, Eliseo; Vicente, Ramon; Fischer, Roland C.; Mautner, Franz A.","Structure, magnetic properties and DFT calculations of azido-copper(ii) complexes with different azido-bonding, nuclearity and dimensionality","New Journal of Chemistry","2018","42","4","2627","","10.1039/C7NJ04150K","","","0.71073","MoKα","","0.0437","0.0406","","","0.1047","0.1072","","","","","","1.024","","","","has coordinates","230281","2020-10-21","18:00:00",""
"7056866","5.1221","0.0001","17.608","0.0002","22.7903","0.0003","90","","90","","90","","2055.46","0.05","285","1","285","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H10 F3 I3 -","- C22 H10 F3 I3 -","- C88 H40 F12 I12 -","4","0.5","","Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun","Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes","New Journal of Chemistry","2018","42","13","10633","","10.1039/C7NJ04536K","","x-ray","1.54184","CuKα","","0.0542","0.0511","","","0.1382","0.1425","","","","","","1.072","","","","has coordinates","230374","2020-10-21","18:00:00",""
"7056867","7.8395","0.0003","14.7083","0.0004","17.2969","0.0005","90","","102.132","0.003","90","","1949.89","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyr-TBrPB","","- C22 H10 Br3 F3 -","- C22 H10 Br3 F3 -","- C88 H40 Br12 F12 -","4","1","","Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun","Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes","New Journal of Chemistry","2018","42","13","10633","","10.1039/C7NJ04536K","","x-ray","1.54184","CuKα","","0.091","0.0824","","","0.2335","0.2438","","","","","","1.063","","","","has coordinates","230374","2020-10-21","18:00:00",""
"7056868","10.9583","0.0001","14.3685","0.0001","11.3862","0.0001","90","","98.885","0.001","90","","1771.29","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 Br3 F3 -","- C20 H10 Br3 F3 -","- C80 H40 Br12 F12 -","4","1","","Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun","Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes","New Journal of Chemistry","2018","42","13","10633","","10.1039/C7NJ04536K","","x-ray","1.54184","CuKα","","0.0192","0.0176","","","0.0428","0.0435","","","","","","1.087","","","","has coordinates","230374","2020-10-21","18:00:00",""
"7056869","6.7866","0.0004","24.3582","0.0014","9.1687","0.0005","90","","99.93","0.006","90","","1492.97","0.15","100.01","0.15","100.01","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H5 F3 I3 -","- C13 H5 F3 I3 -","- C52 H20 F12 I12 -","4","1","","Li, Lili; Wu, Wen Xin; Liu, Zheng Fei; Jin, Wei Jun","Effect of geometry factors on the priority of σ-hole⋯π and π-hole⋯π bond in phosphorescent cocrystals formed by pyrene or phenanthrene and trihaloperfluorobenzenes","New Journal of Chemistry","2018","42","13","10633","","10.1039/C7NJ04536K","","x-ray","0.71073","MoKα","","0.036","0.028","","","0.0477","0.0508","","","","","","1.071","","","","has coordinates,has disorder","230374","2020-10-21","18:00:00",""
"7056870","6.0295","0.0003","9.1751","0.0005","11.9172","0.0007","94.105","0.004","100.519","0.004","96.335","0.004","641.39","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","imidazolium diphenylacetate diphenylacetic acid","","- C31 H28 N2 O4 -","- C30.996 H28 N2 O4 -","- C30.996 H28 N2 O4 -","1","0.5","","Jauhar, RO. MU.; Era, Paavai; Viswanathan, V.; Vivek, P.; Vinitha, G.; D., Velmurugan; Murugakoothan, P.","Crystal structure, molecular packing, FMO, NBO, nonlinear optical and optical limiting properties of an organic imidazolium diphenylacetate diphenylacetic acid single crystal","New Journal of Chemistry","2018","42","4","2439","","10.1039/C7NJ03693K","","","0.71073","MoKα","","0.0941","0.0693","","","0.1729","0.1996","","","","","","1.026","","","","has coordinates,has disorder","230280","2020-10-21","18:00:00",""
"7056871","7.3568","0.0004","14.9891","0.0009","21.0736","0.0011","90","","96.417","0.004","90","","2309.3","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 I N2 O P Pt -","- C25 H26 I N2 O P Pt -","- C100 H104 I4 N8 O4 P4 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Fereidoonnezhad, Masood","An in-depth investigation on the C‒I bond activation by rollover cycloplatinated(ii) complexes bearing monodentate phosphane ligands: kinetic and kinetic isotope effect","New Journal of Chemistry","2018","42","4","2564","","10.1039/C7NJ04159D","","","0.71073","MoKα","","0.0819","0.0636","","","0.1739","0.1823","","","","","","0.984","","","","has coordinates","230275","2020-10-21","18:00:00",""
"7056872","9.0622","0.0007","16.381","0.0013","19.4841","0.0016","90","0.07","102.514","0.007","90","0.06","2823.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","GS-68","","- C34 H20 Cl3 N5 -","- C34 H20 Cl3 N5 -","- C136 H80 Cl12 N20 -","4","1","","Gupta, Shalu; Milton, Marilyn D.","Synthesis of novel AIEE active pyridopyrazines and their applications as chromogenic and fluorogenic probes for Hg2+ detection in aqueous media","New Journal of Chemistry","2018","42","4","2838","","10.1039/C7NJ04573E","","","0.71073","MoKα","","0.2076","0.0923","","","0.1803","0.2316","","","","","","1.022","","","","has coordinates","230269","2020-10-21","18:00:00",""
"7056873","18.857","0.0006","4.9822","0.0001","21.8645","0.0007","90","","115.277","0.001","90","","1857.48","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sup","","- C18 H23 Br N4 O2 -","- C18 H23 Br N4 O2 -","- C72 H92 Br4 N16 O8 -","4","1","","Gaonkar, Supreet; Savanur, Mohammed Azharuddin; Sunagar, Manjunath G.; Puthusseri, Bijesh; Deshapande, Narahari; Nadaf, Afra A.; Khazi, Imtiyaz Ahmed M.","Exploring the potential of newly synthesized 4-methyl-6-morpholino-pyrimidine derivatives as antiproliferative agents","New Journal of Chemistry","2018","42","4","2790","","10.1039/C7NJ04157H","","x-ray","0.71073","MoKα","","0.0437","0.0393","","","0.1106","0.1144","","","","","","1.131","","","","has coordinates","230270","2020-10-21","18:00:00",""
"7056874","15.986","0.007","8.403","0.003","28.487","0.013","90","","96.253","0.005","90","","3804","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N2 Nd O11 -","- C37 H29 N2 Nd O8 -","- C148 H116 N8 Nd4 O32 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.1089","0.0879","","","0.1979","0.2108","","","","","","1.169","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056875","15.682","0.005","8.316","0.003","28.526","0.011","90","","96.325","0.009","90","","3697","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Ho N2 O11 -","- C37 H29 Ho N2 O8 -","- C148 H116 Ho4 N8 O32 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.1053","0.0842","","","0.1685","0.1804","","","","","","1.183","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056876","15.793","0.007","8.363","0.003","28.515","0.012","90","","96.516","0.007","90","","3742","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N2 O10 Sm -","- C37 H29 N2 O8 Sm -","- C148 H116 N8 O32 Sm4 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.0935","0.077","","","0.1846","0.1976","","","","","","1.125","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056877","15.776","0.003","8.3587","0.0016","28.529","0.005","90","","96.501","0.004","90","","3737.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Eu N2 O10 -","- C37 H29 Eu N2 O8 -","- C148 H116 Eu4 N8 O32 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.0645","0.053","","","0.1253","0.1325","","","","","","1.108","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056878","15.735","0.007","8.29","0.003","28.436","0.012","90","","96.414","0.008","90","","3686","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Dy N2 O10 -","- C37 H29 Dy N2 O8 -","- C148 H116 Dy4 N8 O32 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.0609","0.0511","","","0.125","0.1319","","","","","","1.094","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056879","15.696","0.004","8.307","0.002","28.47","0.008","90","","96.418","0.005","90","","3688.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 Gd N2 O10 -","- C37 H29 Gd N2 O8 -","- C148 H116 Gd4 N8 O32 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.0598","0.0496","","","0.1199","0.1264","","","","","","1.133","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056880","15.729","0.004","8.3089","0.0018","28.483","0.007","90","","96.448","0.004","90","","3698.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N2 O10 Tb -","- C37 H29 N2 O8 Tb -","- C148 H116 N8 O32 Tb4 -","4","1","","Chen, Dong-Hui; Lin, Ling; Sheng, Tian-Lu; Wen, Yue-Hong; Zhu, Xiao-Quan; Zhang, Lin-Tao; Hu, Sheng-Min; Fu, Rui-Biao; Wu, Xin-Tao","Syntheses, structures, luminescence and magnetic properties of seven isomorphous metal‒organic frameworks based on 2,7-bis(4-benzoic acid)-N-(4-benzoic acid)carbazole","New Journal of Chemistry","2018","42","4","2830","","10.1039/C7NJ04048B","","","0.71073","MoKα","","0.0678","0.0573","","","0.1373","0.1448","","","","","","1.119","","","","has coordinates,has disorder","230278","2020-10-21","18:00:00",""
"7056881","22.2","0.0015","15.2908","0.001","27.5057","0.0019","90","","95.473","0.001","90","","9294.4","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(2-naphthoxy)phosphorus(V)- tris 5,10,15-(pentafluorophenyl) corrole","","- C57 H22 F15 N4 O2 P -","- C57 H22 F15 N4 O2 P -","- C456 H176 F120 N32 O16 P8 -","8","1","","Achary, B. Shivaprasad; Ramya, A. R.; Nanubolu, Jagadeesh Babu; Seetharaman, Sairaman; Lim, Gary N.; Jang, Youngwoo; D’Souza, Francis; Giribabu, Lingamallu","Axially substituted phosphorous(v) corrole with polycyclic aromatic hydrocarbons: syntheses, X-ray structures, and photoinduced energy and electron transfer studies","New Journal of Chemistry","2018","42","10","8230","","10.1039/C7NJ04363E","","","0.71073","MoKα","","0.068","0.0546","","","0.135","0.1455","","","","","","1.057","","","","has coordinates","230197","2020-10-21","18:00:00",""
"7056882","6.7603","0.0007","13.0051","0.0007","16.5751","0.0009","90","","97.889","0.007","90","","1443.46","0.19","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Ag N4 O4 -","- C14 H13 Ag N4 O4 -","- C56 H52 Ag4 N16 O16 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Takahashi, Jacqueline A.; Rodrigues, Gabriel L. S.; Pinheiro, Carlos B.; Teixeira, Letícia R.; Rocha, Willian R.; Beraldo, Heloisa","Silver(i) complexes with 2-acetylpyridinebenzoylhydrazones exhibit antimicrobial effects against yeast and filamentous fungi","New Journal of Chemistry","2018","42","3","2125","","10.1039/C7NJ04280A","","","0.71073","MoKα","","0.1019","0.0625","","","0.1508","0.1764","","","","","","1.079","","","","has coordinates","230560","2020-10-21","18:00:00",""
"7056883","7.2535","0.0004","13.2543","0.0007","17.9111","0.0008","90","","99.214","0.004","90","","1699.76","0.15","270","2","270","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ag N5 O7 -","- C14 H14 Ag N5 O7 -","- C56 H56 Ag4 N20 O28 -","4","1","","Santos, Ane F.; Ferreira, Isabella P.; Takahashi, Jacqueline A.; Rodrigues, Gabriel L. S.; Pinheiro, Carlos B.; Teixeira, Letícia R.; Rocha, Willian R.; Beraldo, Heloisa","Silver(i) complexes with 2-acetylpyridinebenzoylhydrazones exhibit antimicrobial effects against yeast and filamentous fungi","New Journal of Chemistry","2018","42","3","2125","","10.1039/C7NJ04280A","","","0.71073","MoKα","","0.0932","0.0623","","","0.1419","0.1617","","","","","","1.023","","","","has coordinates","230560","2020-10-21","18:00:00",""
"7056884","8.4416","0.0006","12.9864","0.0005","14.7636","0.0006","112.115","0.004","99.194","0.004","95.337","0.004","1459.23","0.14","270","2","270","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Ag N7 O5 -","- C30 H30 Ag N7 O5 -","- C60 H60 Ag2 N14 O10 -","2","1","","Santos, Ane F.; Ferreira, Isabella P.; Takahashi, Jacqueline A.; Rodrigues, Gabriel L. S.; Pinheiro, Carlos B.; Teixeira, Letícia R.; Rocha, Willian R.; Beraldo, Heloisa","Silver(i) complexes with 2-acetylpyridinebenzoylhydrazones exhibit antimicrobial effects against yeast and filamentous fungi","New Journal of Chemistry","2018","42","3","2125","","10.1039/C7NJ04280A","","","0.71073","MoKα","","0.0409","0.0293","","","0.0655","0.0708","","","","","","1.032","","","","has coordinates,has disorder","230560","2020-10-21","18:00:00",""
"7056885","8.2925","0.0004","13.1239","0.0007","14.7518","0.0007","112.238","0.005","98.638","0.004","96.159","0.004","1445.35","0.14","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ag Cl2 N7 O5 -","- C28 H24 Ag Cl2 N7 O5 -","- C56 H48 Ag2 Cl4 N14 O10 -","2","1","","Santos, Ane F.; Ferreira, Isabella P.; Takahashi, Jacqueline A.; Rodrigues, Gabriel L. S.; Pinheiro, Carlos B.; Teixeira, Letícia R.; Rocha, Willian R.; Beraldo, Heloisa","Silver(i) complexes with 2-acetylpyridinebenzoylhydrazones exhibit antimicrobial effects against yeast and filamentous fungi","New Journal of Chemistry","2018","42","3","2125","","10.1039/C7NJ04280A","","","0.71073","MoKα","","0.0735","0.0452","","","0.1024","0.1204","","","","","","1.037","","","","has coordinates,has disorder","230560","2020-10-21","18:00:00",""
"7056886","9.631","0.0004","9.5059","0.0004","12.459","0.0004","90","","93.923","0.003","90","","1137.97","0.08","110","2","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl2 Ga N O -","- C8 H14 Cl2 Ga N O -","- C32 H56 Cl8 Ga4 N4 O4 -","4","1","","O’Donoghue, Richard; Rahman, Shafiqur; Mallick, Bert; Winter, Manuela; Rogalla, Detlef; Becker, Hans-Werner; Devi, Anjana","Molecular engineering of Ga-ketoiminates: synthesis, structure and evaluation as precursors for the additive-free spin-coated deposition of gallium oxide thin films","New Journal of Chemistry","2018","42","5","3196","","10.1039/C7NJ04334A","","","1.54178","CuKα","","0.0292","0.0239","","","0.0558","0.0592","","","","","","1.029","","","","has coordinates","230264","2020-10-21","18:00:00",""
"7056887","9.6212","0.0002","13.9767","0.0003","17.2781","0.0005","90","","91.153","0.002","90","","2322.96","0.1","99.8","0.2","99.8","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36 Cl Ga N2 O4 -","- C20 H36 Cl Ga N2 O4 -","- C80 H144 Cl4 Ga4 N8 O16 -","4","1","","O’Donoghue, Richard; Rahman, Shafiqur; Mallick, Bert; Winter, Manuela; Rogalla, Detlef; Becker, Hans-Werner; Devi, Anjana","Molecular engineering of Ga-ketoiminates: synthesis, structure and evaluation as precursors for the additive-free spin-coated deposition of gallium oxide thin films","New Journal of Chemistry","2018","42","5","3196","","10.1039/C7NJ04334A","","x-ray","1.54184","CuKα","","0.0351","0.0281","","","0.0759","0.0806","","","","","","1.056","","","","has coordinates","230264","2020-10-21","18:00:00",""
"7056888","7.7637","0.0002","14.6029","0.0004","13.3304","0.0004","90","","99.544","0.003","90","","1490.38","0.07","101.3","0.2","101.3","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 Ga N3 O -","- C12 H26 Ga N3 O -","- C48 H104 Ga4 N12 O4 -","4","1","","O’Donoghue, Richard; Rahman, Shafiqur; Mallick, Bert; Winter, Manuela; Rogalla, Detlef; Becker, Hans-Werner; Devi, Anjana","Molecular engineering of Ga-ketoiminates: synthesis, structure and evaluation as precursors for the additive-free spin-coated deposition of gallium oxide thin films","New Journal of Chemistry","2018","42","5","3196","","10.1039/C7NJ04334A","","x-ray","1.54184","CuKα","","0.0405","0.0324","","","0.0797","0.0853","","","","","","1.091","","","","has coordinates","230264","2020-10-21","18:00:00",""
"7056889","18.4543","0.0004","8.6596","0.0001","22.4511","0.0009","90","","122.791","0.002","90","","3016.12","0.16","111.1","0.3","111.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 Ga N3 O6 -","- C27 H48 Ga N3 O6 -","- C108 H192 Ga4 N12 O24 -","4","1","","O’Donoghue, Richard; Rahman, Shafiqur; Mallick, Bert; Winter, Manuela; Rogalla, Detlef; Becker, Hans-Werner; Devi, Anjana","Molecular engineering of Ga-ketoiminates: synthesis, structure and evaluation as precursors for the additive-free spin-coated deposition of gallium oxide thin films","New Journal of Chemistry","2018","42","5","3196","","10.1039/C7NJ04334A","","x-ray","1.54178","CuKα","","0.0376","0.0311","","","0.0777","0.0823","","","","","","1.036","","","","has coordinates","230264","2020-10-21","18:00:00",""
"7056890","21.0903","0.0013","4.5204","0.0003","17.9165","0.001","90","","90","","90","","1708.1","0.18","296","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H16 N6 O2 Se2 -","- C14 H16 N6 O2 Se2 -","- C56 H64 N24 O8 Se8 -","4","1","","Sharma, Nidhi; Kumar, Sanjeev; Kumar, Sangit; Mehta, S. K.; Bhasin, K. K.","Synthesis and characterization of fused imidazole heterocyclic selenoesters and their application for chemical detoxification of HgCl2","New Journal of Chemistry","2018","42","4","2702","","10.1039/C7NJ03908E","","","0.71073","MoKα","","0.0465","0.0319","","","0.0591","0.0628","","","","","","0.988","","","","has coordinates","230272","2020-10-21","18:00:00",""
"7056891","13.9786","0.0018","5.8864","0.0006","22.939","0.003","90","","98.038","0.004","90","","1869","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C88 H84 N12 O4 -","4","1","","İnan, Ayşe; İkiz, Mesut; Tayhan, Seçil Erden; Bilgin, Sema; Genç, Nusret; Sayın, Koray; Ceyhan, Gökhan; Köse, Muhammet; Dağ, Ayşe; İspir, Esin","Antiproliferative, antioxidant, computational and electrochemical studies of new azo-containing Schiff base ruthenium(ii) complexes","New Journal of Chemistry","2018","42","4","2952","","10.1039/C7NJ04420H","","","0.71073","MoKα","","0.0967","0.0596","","","0.1399","0.1727","","","","","","1.042","","","","has coordinates","230277","2020-10-21","18:00:00",""
"7056892","26.761","0.005","4.7207","0.0007","12.577","0.002","90","","91.88","0.006","90","","1588","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","İnan, Ayşe; İkiz, Mesut; Tayhan, Seçil Erden; Bilgin, Sema; Genç, Nusret; Sayın, Koray; Ceyhan, Gökhan; Köse, Muhammet; Dağ, Ayşe; İspir, Esin","Antiproliferative, antioxidant, computational and electrochemical studies of new azo-containing Schiff base ruthenium(ii) complexes","New Journal of Chemistry","2018","42","4","2952","","10.1039/C7NJ04420H","","","0.71073","MoKα","","0.0968","0.0551","","","0.1244","0.144","","","","","","1.034","","","","has coordinates","230277","2020-10-21","18:00:00",""
"7056893","10.5213","0.0012","11.9176","0.0015","12.2605","0.0016","61.411","0.004","85.811","0.004","88.731","0.004","1346.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Cl N3 O2 Ru -","- C30 H30 Cl N3 O2 Ru -","- C60 H60 Cl2 N6 O4 Ru2 -","2","1","","İnan, Ayşe; İkiz, Mesut; Tayhan, Seçil Erden; Bilgin, Sema; Genç, Nusret; Sayın, Koray; Ceyhan, Gökhan; Köse, Muhammet; Dağ, Ayşe; İspir, Esin","Antiproliferative, antioxidant, computational and electrochemical studies of new azo-containing Schiff base ruthenium(ii) complexes","New Journal of Chemistry","2018","42","4","2952","","10.1039/C7NJ04420H","","","0.71073","MoKα","","0.0367","0.0298","","","0.0667","0.0721","","","","","","1.117","","","","has coordinates","230277","2020-10-21","18:00:00",""
"7056894","6.372","0.0006","9.3611","0.0009","14.5803","0.0011","90","","90","","90","","869.7","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 F N6 O4 -","- C4 H5 F N6 O4 -","- C16 H20 F4 N24 O16 -","4","1","","Wang, Weixia; Cheng, Guangbin; Xiong, Hualin; Yang, Hongwei","Functionalization of fluorodinitroethylamino derivatives based on azole: a new family of insensitive energetic materials","New Journal of Chemistry","2018","42","4","2994","","10.1039/C7NJ05009G","","","0.71073","MoKα","","0.0601","0.0384","","","0.0599","0.0652","","","","","","1.086","","","","has coordinates,has disorder","230276","2020-10-21","18:00:00",""
"7056895","5.0674","0.0007","22.537","0.003","8.318","0.001","90","","102.747","0.004","90","","926.5","0.2","172","2","172","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 F N7 O6 -","- C3.998 H3.998 F0.999 N6.998 O5.996 -","- C15.992 H15.992 F3.996 N27.992 O23.984 -","4","1","","Wang, Weixia; Cheng, Guangbin; Xiong, Hualin; Yang, Hongwei","Functionalization of fluorodinitroethylamino derivatives based on azole: a new family of insensitive energetic materials","New Journal of Chemistry","2018","42","4","2994","","10.1039/C7NJ05009G","","","0.71073","MoKα","","0.1278","0.0812","","","0.1619","0.1797","","","","","","1.103","","","","has coordinates,has disorder","230276","2020-10-21","18:00:00",""
"7056896","9.4897","0.0015","7.522","0.0011","11.9071","0.0018","90","","105.455","0.005","90","","819.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 F N6 O4 -","- C4 H5 F N6 O4 -","- C16 H20 F4 N24 O16 -","4","1","","Wang, Weixia; Cheng, Guangbin; Xiong, Hualin; Yang, Hongwei","Functionalization of fluorodinitroethylamino derivatives based on azole: a new family of insensitive energetic materials","New Journal of Chemistry","2018","42","4","2994","","10.1039/C7NJ05009G","","","0.71073","MoKα","","0.1046","0.0515","","","0.0821","0.0963","","","","","","1.018","","","","has coordinates","230276","2020-10-21","18:00:00",""
"7056897","11.4591","0.0005","16.6924","0.0005","13.1556","0.0005","90","","101.234","0.004","90","","2468.19","0.16","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N8 O6 Zn -","- C18 H20 N8 O6 Zn -","- C72 H80 N32 O24 Zn4 -","4","0.5","","Jin, Jun-Cheng; Wu, Jian; Liu, Wei-Cong; Ma, Ai-Qing; Liu, Jian-Qiang; Singh, Amita; Kumar, Abhinav","A new Zn(ii) metal‒organic framework having 3D CdSO4 topology as luminescent sensor and photocatalyst for degradation of organic dyes","New Journal of Chemistry","2018","42","4","2767","","10.1039/C7NJ04355D","","x-ray","1.54184","CuKα","","0.0538","0.0478","","","0.1223","0.1258","","","","","","1.02","","","","has coordinates","230279","2020-10-21","18:00:00",""
"7056898","26.4924","0.0003","17.347","0.0002","27.3768","0.0003","90","","106.53","0.001","90","","12061.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H108 Fe6 N12 O42 P12 -","- C36 H108 Fe6 N12 O42 P12 -","- C144 H432 Fe24 N48 O168 P48 -","4","1","","Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Tucek, Jiri; Plass, Winfried; Pinkas, Jiri","Hexanuclear iron(iii) α-aminophosphonate: synthesis, structure, and magnetic properties of a molecular wheel","New Journal of Chemistry","2018","42","3","1931","","10.1039/C7NJ03606J","","","0.71075","MolybdenumKα","","0.0468","0.0447","","","0.121","0.1224","","","","","","1.058","","","","has coordinates","230565","2020-10-21","18:00:00",""
"7056899","8.181","0.002","9.014","0.002","11.892","0.004","86.414","0.006","70.448","0.005","69.436","0.004","772.2","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H44 N2 -","- C38 H44 N2 -","- C38 H44 N2 -","1","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0789","0.0461","","","0.1048","0.121","","","","","","1.021","","","","has coordinates,has disorder","230268","2020-10-21","18:00:00",""
"7056900","8.234","0.007","9.416","0.006","13.972","0.011","82.68","0.05","76.62","0.07","69.13","0.07","983.5","1.4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N2 Si2 -","- C44 H56 N2 Si2 -","- C44 H56 N2 Si2 -","1","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0807","0.0684","","","0.2201","0.2512","","","","","","1.043","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056901","8.3622","0.0004","8.7201","0.0005","11.3838","0.0006","69.821","0.002","81.103","0.002","70.285","0.002","732.79","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C36 H40 N2 -","1","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0567","0.0416","","","0.103","0.1136","","","","","","1.025","","","","has coordinates,has disorder","230268","2020-10-21","18:00:00",""
"7056902","9.937","0.003","13.257","0.004","22","0.007","90","","96.887","0.007","90","","2877.3","1.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 N2 -","- C36 H38 N2 -","- C144 H152 N8 -","4","1","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.2371","0.0794","","","0.1934","0.2926","","","","","","0.947","","","","has coordinates,has disorder","230268","2020-10-21","18:00:00",""
"7056903","8.839","0.003","12.054","0.004","16.055","0.007","90","","100.7","0.04","90","","1680.8","1.1","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 N2 -","- C40 H48 N2 -","- C80 H96 N4 -","2","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0716","0.0502","","","0.1244","0.138","","","","","","1.039","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056904","10.558","0.003","13.688","0.005","12.845","0.004","90","","90.115","0.006","90","","1856.3","1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50.5 N2 Si2 -","- C42 H50.58 N2 Si2 -","- C84 H101.16 N4 Si4 -","2","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.1062","0.0614","","","0.1629","0.1931","","","","","","1.003","","","","has coordinates,has disorder","230268","2020-10-21","18:00:00",""
"7056905","10.2057","0.001","11.4873","0.0011","12.1715","0.0011","66.232","0.002","83.013","0.002","83.378","0.002","1292.8","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C64 H64 N4 -","2","1","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0648","0.043","","","0.102","0.1158","","","","","","1.022","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056906","10.129","0.002","11.495","0.003","12.113","0.003","66.334","0.005","82.721","0.004","83.176","0.005","1277.7","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30.7 N2 -","- C32 H30.7 N2 -","- C64 H61.4 N4 -","2","1","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0946","0.0478","","","0.1038","0.1241","","","","","","0.978","","","","has coordinates,has disorder","230268","2020-10-21","18:00:00",""
"7056907","12.4574","0.0012","13.7387","0.0013","20.538","0.002","90","","95.175","0.002","90","","3500.7","0.6","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C40 H47.5 N2 Si2 -","- C40 H47.5 N2 Si2 -","- C160 H190 N8 Si8 -","4","2","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0839","0.07","","","0.1871","0.2","","","","","","1.038","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056908","10.7045","0.0012","12.8727","0.0015","11.9991","0.0014","90","","92.607","0.002","90","","1651.7","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 N2 Si2 -","- C38 H44 N2 Si2 -","- C76 H88 N4 Si4 -","2","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0439","0.036","","","0.099","0.1068","","","","","","1.029","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056909","10.093","0.002","12.721","0.003","11.827","0.002","90","","92.34","0.03","90","","1517.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 Si2 -","- C36 H40 N2 Si2 -","- C72 H80 N4 Si4 -","2","0.5","","Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua","Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties","New Journal of Chemistry","2018","42","4","3102","","10.1039/C7NJ03876C","","","0.71073","MoKα","","0.0796","0.0686","","","0.2064","0.2209","","","","","","1.035","","","","has coordinates","230268","2020-10-21","18:00:00",""
"7056910","22.2982","0.0018","8.5917","0.0008","26.0739","0.0014","90","","112.116","0.005","90","","4627.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","sulfonamide chalcone","chalcone2,5-dichloro-N-{3-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C21 H14 Cl2 N2 O5 S -","- C21 H14 Cl2 N2 O5 S -","- C168 H112 Cl16 N16 O40 S8 -","8","1","","Custodio, Jean M. F.; Michelini, Lidiane J.; de Castro, Mirian Rita C.; Vaz, Wesley F.; Neves, Bruno J.; Cravo, Pedro V. L.; Barreto, Francisco S.; Filho, Manoel O. M.; Perez, Caridad N.; Napolitano, Hamilton B.","Structural insights into a novel anticancer sulfonamide chalcone","New Journal of Chemistry","2018","42","5","3426","","10.1039/C7NJ03523C","","","0.71073","MoKα","","0.0923","0.0579","","","0.149","0.1699","","","","","","1.047","","","","has coordinates,has disorder","230263","2020-10-21","18:00:00",""
"7056911","6.9409","0.0013","5.1266","0.001","16.585","0.003","90","","98.805","0.003","90","","583.19","0.19","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Ma, Qing; Gu, Hao; Huang, Jinglun; Nie, Fude; Fan, Guijuan; Liao, Longyu; Yang, Wei","Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy","New Journal of Chemistry","2018","42","4","2376","","10.1039/C7NJ03939E","","","0.71073","MoKα","","0.0645","0.0396","","","0.0917","0.1004","","","","","","1.064","","","","has coordinates","230273","2020-10-21","18:00:00",""
"7056912","11.8413","0.0013","10.444","0.0011","13.822","0.0014","90","","91.458","0.002","90","","1708.8","0.3","130","","130","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N12 O14 -","- C6 H6 N12 O14 -","- C24 H24 N48 O56 -","4","0.5","","Ma, Qing; Gu, Hao; Huang, Jinglun; Nie, Fude; Fan, Guijuan; Liao, Longyu; Yang, Wei","Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy","New Journal of Chemistry","2018","42","4","2376","","10.1039/C7NJ03939E","","","0.71073","MoKα","","0.0503","0.0359","","","0.0878","0.0953","","","","","","1.015","","","","has coordinates","230273","2020-10-21","18:00:00",""
"7056913","7.7188","0.001","16.867","0.002","6.4384","0.0008","90","","90","","90","","838.23","0.18","130","","130","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C3 N8 O6 -","- C3 N8 O6 -","- C12 N32 O24 -","4","1","","Ma, Qing; Gu, Hao; Huang, Jinglun; Nie, Fude; Fan, Guijuan; Liao, Longyu; Yang, Wei","Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy","New Journal of Chemistry","2018","42","4","2376","","10.1039/C7NJ03939E","","","0.71073","MoKα","","0.0444","0.0341","","","0.0735","0.0776","","","","","","1.023","","","","has coordinates","230273","2020-10-21","18:00:00",""
"7056914","28.422","0.0006","9.0408","0.0002","20.3084","0.0004","90","","99.281","0.002","90","","5150.09","0.19","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C120 H112 Cu3 N12 O6 -","- C120 H112 Cu3 N12 O6 -","- C240 H224 Cu6 N24 O12 -","2","0.5","","Saini, Anoop Kumar; Saraf, Mohit; Kumari, Pratibha; Mobin, Shaikh M.","A highly selective and sensitive chemosensor forl-tryptophan by employing a Schiff based Cu(ii) complex","New Journal of Chemistry","2018","42","5","3509","","10.1039/C7NJ04595F","","","0.71073","MoKα","","0.0864","0.067","","","0.1637","0.1801","","","","","","1.031","","","","has coordinates,has disorder","230252","2020-10-21","18:00:00",""
"7056915","7.5332","0.0015","44.989","0.009","9.6294","0.0019","90","","105.58","0.03","90","","3143.6","1.2","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 Fe N -","- C21 H17 Fe N -","- C168 H136 Fe8 N8 -","8","4","","Rosa, Vitor; Gaspari, Ana P. S.; Folgosa, Filipe; Cordas, Cristina M.; Tavares, Pedro; Santos-Silva, Teresa; Barroso, Sónia; Avilés, Teresa","Imine ligands based on ferrocene: synthesis, structural and Mössbauer characterization and evaluation as chromogenic and electrochemical sensors for Hg2+","New Journal of Chemistry","2018","42","5","3334","","10.1039/C7NJ04319H","","","0.71073","MoKα","","0.0735","0.0544","","","0.102","0.1079","","","","","","1.079","","","","has coordinates","230266","2020-10-21","18:00:00",""
"7056916","20.003","0.004","7.5328","0.0015","22.945","0.005","90","","108.63","0.03","90","","3276.2","1.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Fe N -","- C22 H19 Fe N -","- C176 H152 Fe8 N8 -","8","1","","Rosa, Vitor; Gaspari, Ana P. S.; Folgosa, Filipe; Cordas, Cristina M.; Tavares, Pedro; Santos-Silva, Teresa; Barroso, Sónia; Avilés, Teresa","Imine ligands based on ferrocene: synthesis, structural and Mössbauer characterization and evaluation as chromogenic and electrochemical sensors for Hg2+","New Journal of Chemistry","2018","42","5","3334","","10.1039/C7NJ04319H","","","0.71073","MoKα","","0.0505","0.0338","","","0.0808","0.0864","","","","","","1.018","","","","has coordinates","230266","2020-10-21","18:00:00",""
"7056917","14.807","0.004","14.807","0.004","14.807","0.004","90","","90","","90","","3246.4","1.5","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba1.75 Na0.5 S4 Sn -","- Ba1.74998 Na0.500025 S4 Sn -","- Ba27.9996 Na8.0004 S64 Sn16 -","16","0.333333","","Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie","Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation","New Journal of Chemistry","2018","42","5","3350","","10.1039/C7NJ04288D","","","0.71073","MoKα","","0.0362","0.0352","","","0.0905","0.0909","","","","","","1.104","","","","has coordinates","230253","2020-10-21","18:00:00",""
"7056918","15.1628","0.0005","15.1628","0.0005","15.1628","0.0005","90","","90","","90","","3486.1","0.2","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba1.75 Li0.5 Se4 Sn -","- Ba1.7475 Li0.5025 Se4 Sn -","- Ba27.96 Li8.04 Se64 Sn16 -","16","0.333333","","Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie","Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation","New Journal of Chemistry","2018","42","5","3350","","10.1039/C7NJ04288D","","","0.71073","MoKα","","0.0233","0.0217","","","0.0491","0.0496","","","","","","1.095","","","","has coordinates","230253","2020-10-21","18:00:00",""
"7056919","15.4163","0.0013","15.4163","0.0013","15.4163","0.0013","90","","90","","90","","3663.9","0.5","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba1.75 Na0.5 Se4 Sn -","- Ba1.7475 Na0.5025 Se4 Sn -","- Ba27.96 Na8.04 Se64 Sn16 -","16","0.333333","","Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie","Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation","New Journal of Chemistry","2018","42","5","3350","","10.1039/C7NJ04288D","","","0.71073","MoKα","","0.0396","0.037","","","0.0997","0.1019","","","","","","1.118","","","","has coordinates","230253","2020-10-21","18:00:00",""
"7056920","14.577","0.002","14.577","0.002","14.577","0.002","90","","90","","90","","3097.5","0.7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ba1.75 Li0.5 S4 Sn -","- Ba1.74998 Li0.500025 S4 Sn -","- Ba27.9996 Li8.0004 S64 Sn16 -","16","0.333333","","Abudurusuli, Ailijiang; Wu, Kui; Pan, Shilie","Four new quaternary chalcogenides A2Ba7Sn4Q16 (A = Li, Na; Q = S, Se): syntheses, crystal structures determination, nonlinear optical performances investigation","New Journal of Chemistry","2018","42","5","3350","","10.1039/C7NJ04288D","","","0.71073","MoKα","","0.036","0.0347","","","0.09","0.0906","","","","","","1.198","","","","has coordinates","230253","2020-10-21","18:00:00",""
"7056921","6.8499","0.0004","25.8041","0.0017","9.4897","0.0005","90","","90","","90","","1677.36","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H12 B F6 N3 -","- C17 H12 B F6 N3 -","- C68 H48 B4 F24 N12 -","4","0.5","","Prasannan, Dijo; Arunkumar, Chellaiah","A “turn-on-and-off” pH sensitive BODIPY fluorescent probe for imaging E. coli cells","New Journal of Chemistry","2018","42","5","3473","","10.1039/C7NJ04313A","","","0.71073","MoKα","","0.061","0.0502","","","0.1467","0.1565","","","","","","1.122","","","","has coordinates","230258","2020-10-21","18:00:00",""
"7056922","12.2654","0.0011","10.5756","0.001","13.3074","0.0012","90","","116.339","0.002","90","","1547","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 B F2 N3 -","- C17 H16 B F2 N3 -","- C68 H64 B4 F8 N12 -","4","1","","Prasannan, Dijo; Arunkumar, Chellaiah","A “turn-on-and-off” pH sensitive BODIPY fluorescent probe for imaging E. coli cells","New Journal of Chemistry","2018","42","5","3473","","10.1039/C7NJ04313A","","","0.71073","MoKα","","0.0751","0.0392","","","0.0882","0.1122","","","","","","1.084","","","","has coordinates","230258","2020-10-21","18:00:00",""
"7056923","20.9","0.004","4.9614","0.001","24.079","0.005","90","","102.14","0.03","90","","2441","0.9","277","2","277","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl6 N8 S2 -","- C16 H8 Cl6 N8 S2 -","- C64 H32 Cl24 N32 S8 -","4","0.5","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A uniquely fabricated Cu(ii)-metallacycle as a reusable highly sensitive dual-channel and practically functional metalloreceptor for Fe3+ and Ca2+ ions: an inorganic site of cation detection","New Journal of Chemistry","2018","42","5","3582","","10.1039/C7NJ03294C","","","0.71073","","","0.12122","0.072842","","","","0.243618","","","","","","1.01752","","","","has coordinates","230259","2020-10-21","18:00:00",""
"7056924","8.442","0.004","6.727","0.0013","14.467","0.003","90","","90","","90","","821.6","0.5","277","2","277","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H11 N3 O3 -","- C6 H11 N3 O3 -","- C24 H44 N12 O12 -","4","0.5","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A uniquely fabricated Cu(ii)-metallacycle as a reusable highly sensitive dual-channel and practically functional metalloreceptor for Fe3+ and Ca2+ ions: an inorganic site of cation detection","New Journal of Chemistry","2018","42","5","3582","","10.1039/C7NJ03294C","","","0.71073","MoKα","","0.1679","0.1516","","","0.4348","0.4455","","","","","","1.776","","","","has coordinates","230259","2020-10-21","18:00:00",""
"7056925","7.2021","0.0013","9.469","0.003","11.699","0.003","66.533","0.013","80.57","0.03","81.58","0.03","719","0.3","277","2","277","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 Cu N2 O7 S2 -","- C10 H14 Cu N2 O7 S2 -","- C20 H28 Cu2 N4 O14 S4 -","2","1","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A uniquely fabricated Cu(ii)-metallacycle as a reusable highly sensitive dual-channel and practically functional metalloreceptor for Fe3+ and Ca2+ ions: an inorganic site of cation detection","New Journal of Chemistry","2018","42","5","3582","","10.1039/C7NJ03294C","","","0.71073","MoKα","","0.0716","0.0627","","","0.1744","0.2029","","","","","","1.042","","","","has coordinates","230259","2020-10-21","18:00:00",""
"7056926","12.289","0.003","7.6775","0.0015","14.314","0.003","90","","110.8","0.03","90","","1262.5","0.5","277","2","277","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Co N2 S -","- C10 H8 Cl2 Co N2 S -","- C40 H32 Cl8 Co4 N8 S4 -","4","1","","Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal","A uniquely fabricated Cu(ii)-metallacycle as a reusable highly sensitive dual-channel and practically functional metalloreceptor for Fe3+ and Ca2+ ions: an inorganic site of cation detection","New Journal of Chemistry","2018","42","5","3582","","10.1039/C7NJ03294C","","","0.71073","","","0.036159","0.028651","","","","0.113488","","","","","","0.873674","","","","has coordinates","230259","2020-10-21","18:00:00",""
"7056927","9.9976","0.0017","13.561","0.002","14.593","0.003","89.719","0.004","71.759","0.004","80.909","0.004","1853.4","0.6","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N6 O10 Zn -","- C34 H48 N6 O10 Zn -","- C68 H96 N12 O20 Zn2 -","2","1","","Liu, Yan; Liu, Wei; Xu, Cong; Dou, Wei; Ju, Zhenghua; Liu, Weisheng","Temperature-induced self-assembly of two kinds Zn(ii)-based coordination polymers with luminescence properties for application in sensing and adsorption","New Journal of Chemistry","2018","42","5","3885","","10.1039/C7NJ04698G","","","0.71073","MoKα","","0.1316","0.0678","","","0.1402","0.1727","","","","","","0.983","","","","has coordinates","230257","2020-10-21","18:00:00",""
"7056928","12.9","0.008","5.117","0.003","36.695","0.019","90","","109.44","0.018","90","","2284","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O6 Zn0.81 -","- C22 H20 N2 O6 Zn0.805 -","- C88 H80 N8 O24 Zn3.22 -","4","1","","Liu, Yan; Liu, Wei; Xu, Cong; Dou, Wei; Ju, Zhenghua; Liu, Weisheng","Temperature-induced self-assembly of two kinds Zn(ii)-based coordination polymers with luminescence properties for application in sensing and adsorption","New Journal of Chemistry","2018","42","5","3885","","10.1039/C7NJ04698G","","","0.71073","MoKα","","0.2559","0.2314","","","0.5155","0.5282","","","","","","1.15","","","","has coordinates,has disorder","230257","2020-10-21","18:00:00",""
"7056929","17.855","0.004","19.68","0.004","20.206","0.004","65.56","0.03","66.4","0.03","64.63","0.03","5622","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H50 N10 O16 Zn4 -","- C84 H50 N10 O16 Zn4 -","- C168 H100 N20 O32 Zn8 -","2","1","","Wang, Jun-Jie; Zhang, Ren-Chun; Cao, Ya-Li; Li, Yan-Ang; Wang, Yi-Ran; Wang, Qing-Lun","Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole","New Journal of Chemistry","2018","42","5","3551","","10.1039/C7NJ03530F","","","0.71073","MoKα","","0.0829","0.0472","","","0.1244","0.1342","","","","","","0.892","","","","has coordinates,has disorder","230260","2020-10-21","18:00:00",""
"7056930","17.0707","0.0002","20.2756","0.0003","20.5249","0.0003","91.6837","0.0014","107.867","0.0013","94.2364","0.0012","6732.81","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H64 Cd4 N12 O18 -","- C90 H64 Cd4 N12 O18 -","- C180 H128 Cd8 N24 O36 -","2","1","","Wang, Jun-Jie; Zhang, Ren-Chun; Cao, Ya-Li; Li, Yan-Ang; Wang, Yi-Ran; Wang, Qing-Lun","Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole","New Journal of Chemistry","2018","42","5","3551","","10.1039/C7NJ03530F","","","1.54184","CuKα","","0.0662","0.0637","","","0.1795","0.1858","","","","","","1.018","","","","has coordinates","230260","2020-10-21","18:00:00",""
"7056931","10.3","0.002","11.877","0.002","16.851","0.003","74","0.03","85.73","0.03","85.08","0.03","1971.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Mn N10 O4 -","- C48 H30 Mn N10 O4 -","- C96 H60 Mn2 N20 O8 -","2","1","","Wang, Jun-Jie; Zhang, Ren-Chun; Cao, Ya-Li; Li, Yan-Ang; Wang, Yi-Ran; Wang, Qing-Lun","Selective fluorescent sensing and photocatalytic properties of three MOFs based on naphthalene-1,4-dicarboxylic acid and 2,4,5-tri(4-pyridyl)-imidazole","New Journal of Chemistry","2018","42","5","3551","","10.1039/C7NJ03530F","","","0.71073","MoKα","","0.0775","0.0634","","","0.1387","0.1441","","","","","","1.127","","","","has coordinates","230260","2020-10-21","18:00:00",""
"7056932","11.5086","0.0003","13.443","0.0004","11.8588","0.0003","90","","90","","90","","1834.68","0.09","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C13 H8 Ag F3 N8 O3 S -","- C13 H8 Ag F3 N8 O3 S -","- C52 H32 Ag4 F12 N32 O12 S4 -","4","0.5","","Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa","Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination","New Journal of Chemistry","2018","42","5","3363","","10.1039/C7NJ03763E","","","0.71073","MoKα","","0.0281","0.0205","","","0.0492","0.0531","","","","","","1.031","","","","has coordinates","230267","2020-10-21","18:00:00",""
"7056933","28.5595","0.0019","5.7123","0.0004","12.7499","0.0008","90","","113.076","0.002","90","","1913.6","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ag Cl N4 O3 -","- C6 H4 Ag Cl N4 O3 -","- C48 H32 Ag8 Cl8 N32 O24 -","8","1","","Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa","Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination","New Journal of Chemistry","2018","42","5","3363","","10.1039/C7NJ03763E","","","0.71073","MoKα","","0.0182","0.0159","","","0.0386","0.0396","","","","","","1.083","","","","has coordinates","230267","2020-10-21","18:00:00",""
"7056934","5.8782","0.0002","8.5137","0.0003","17.6073","0.0006","90","","93.106","0.001","90","","879.87","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ag N5 O3 -","- C6 H4 Ag N5 O3 -","- C24 H16 Ag4 N20 O12 -","4","1","","Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa","Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination","New Journal of Chemistry","2018","42","5","3363","","10.1039/C7NJ03763E","","","0.71073","MoKα","","0.0228","0.0194","","","0.0431","0.0444","","","","","","1.061","","","","has coordinates","230267","2020-10-21","18:00:00",""
"7056935","8.0945","0.0016","7.3937","0.0015","27.724","0.006","90","","93.02","0.03","90","","1656.9","0.6","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H25 B12 N3 O -","- C5 H25 B12 N3 O -","- C20 H100 B48 N12 O4 -","4","1","","Li, Hao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Meng, Xianghai; Zhang, Suojiang","Amino functionalized [B12H12]2− salts as hypergolic fuels","New Journal of Chemistry","2018","42","5","3568","","10.1039/C7NJ04225F","","","0.71073","MoKα","","0.1939","0.1826","","","0.3444","0.3543","","","","","","1.14","","","","has coordinates,has disorder","230256","2020-10-21","18:00:00",""
"7056936","23.2777","0.0007","10.3096","0.0002","25.1059","0.0008","90","","110.776","0.004","90","","5633.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32.04 B9 Cl2.04 P -","- C24 H32.0441 B9 Cl2.0441 P -","- C192 H256.353 B72 Cl16.3528 P8 -","8","1","","Schlüter, Florian; Bernhardt, Eduard; Zhizhin, Konstantin","Diverse chemistry of the dianion [closo-B9H9]2−: synthesis and reactivity of its mono-anionic derivative [arachno-B9H12-4,8-Cl2]−","New Journal of Chemistry","2018","42","4","2553","","10.1039/C7NJ04251E","","","0.71073","MoKα","","0.0435","0.0368","","","0.0942","0.0986","","","","","","1.071","","","","has coordinates","230271","2020-10-21","18:00:00",""
"7056937","15.9036","0.0004","11.4442","0.0003","17.4141","0.0005","90","","90","","90","","3169.44","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cu N2 O2 -","- C18 H18 Cu N2 O2 -","- C144 H144 Cu8 N16 O16 -","8","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","1.5418","CuKα","","0.026","0.0259","","0.0324","0.0324","0.0324","","","","","","0.9698","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7056938","24.927","0.005","47.25","0.01","14.055","0.003","90","","90","","90","","16554","6","100","","100","","","","","","","","","8","F d d 2","F 2 -2d","43","","","","- C36 H37 Cl4 Cu K2 N4 Ni2 O8.5 -","- C36 H36 Cl4 Cu K2 N4 Ni2 O8.5 -","- C576 H576 Cl64 Cu16 K32 N64 Ni32 O136 -","16","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","0.71073","MoKα","","0.0404","0.0329","","0.0464","0.0345","0.0342","","","","","","1.069","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7056939","17.2244","0.0002","7.40088","0.00008","18.7657","0.0002","90","","107.501","0.0014","90","","2281.45","0.05","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 Cu2 N2 O6 -","- C20 H26 Cl2 Cu2 N2 O6 -","- C80 H104 Cl8 Cu8 N8 O24 -","4","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","1.5418","CuKα","","0.0246","0.0245","","0.0278","0.0278","0.0278","","","","","","0.9411","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7056940","11.6765","0.0003","17.0328","0.0004","14.5948","0.0004","90","","99.753","0.002","90","","2860.71","0.13","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl Mn Ni O12 -","- C26 H31 Cl Mn Ni O12 -","- C104 H124 Cl4 Mn4 Ni4 O48 -","4","1","","Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.","Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations","New Journal of Chemistry","2018","42","5","3683","","10.1039/C7NJ04347C","","","0.71073","MoKα","","0.0409","0.0264","","0.0351","0.0309","0.0299","","","","","","1.0872","","","","has coordinates","230251","2020-10-21","18:00:00",""
"7056941","5.875","0.0002","7.3536","0.0003","14.1683","0.0005","76.132","0.002","79.333","0.001","79.249","0.001","577.47","0.04","295","","295","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H9 Fe N3 O3 -","- C12 H9 Fe N3 O3 -","- C24 H18 Fe2 N6 O6 -","2","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0418","0.0324","","","0.0744","0.0797","","","","","","1.096","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056942","5.8627","0.0006","16.8493","0.0016","25.022","0.002","90","","90","","90","","2471.7","0.4","150","","150","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Fe N6 O2 -","- C12 H8 Fe N6 O2 -","- C96 H64 Fe8 N48 O16 -","8","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0564","0.0448","","","0.0925","0.0965","","","","","","1.171","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056943","14.4756","0.0006","7.4476","0.0003","17.2948","0.0008","90","","114.161","0.002","90","","1701.19","0.13","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Fe N O5 -","- C19 H19 Fe N O5 -","- C76 H76 Fe4 N4 O20 -","4","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.039","0.0289","","","0.068","0.0729","","","","","","1.037","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056944","8.432","0.0009","11.1582","0.0011","15.5903","0.0015","69.828","0.003","85.294","0.004","85.8","0.004","1370.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H15 Fe N O4 -","- C15 H15 Fe N O4 -","- C60 H60 Fe4 N4 O16 -","4","2","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0548","0.0452","","","0.1152","0.1192","","","","","","1.141","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056945","21.36","0.0013","10.0652","0.0005","9.5245","0.0006","90","","96.112","0.002","90","","2036.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Fe N2 O6 -","- C20 H22 Fe N2 O6 -","- C80 H88 Fe4 N8 O24 -","4","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0768","0.062","","","0.1664","0.1731","","","","","","1.258","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056946","14.193","0.007","11.681","0.004","21.035","0.01","90","","90","","90","","3487","3","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C18 H25 Fe N O4 -","- C18 H25 Fe N O4 -","- C144 H200 Fe8 N8 O32 -","8","1","","Erb, William; Levanen, Gael; Roisnel, Thierry; Dorcet, Vincent","Application of the Curtius rearrangement to the synthesis of 1′-aminoferrocene-1-carboxylic acid derivatives","New Journal of Chemistry","2018","42","5","3808","","10.1039/C7NJ05020H","","x-ray","0.71073","MoKα","","0.0591","0.0493","","","0.1203","0.131","","","","","","1.072","","","","has coordinates","230261","2020-10-21","18:00:00",""
"7056947","21.508","0.0005","21.508","0.0005","7.9027","0.0003","90","","90","","90","","3655.74","0.18","293","2","293","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C12 H11.2 F4 N3 O7.6 V -","- C12 H8 F4 N3 O7.595 V -","- C96 H64 F32 N24 O60.76 V8 -","8","","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.1361","0.0938","","","0.2439","0.2729","","","","","","1.024","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056948","8.0697","0.0003","13.0146","0.0005","15.4733","0.0006","90","","104.392","0.002","90","","1574.07","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N3 O9 V -","- C12 H14 N3 O9 V -","- C48 H56 N12 O36 V4 -","4","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0766","0.0714","","","0.1905","0.1929","","","","","","1.17","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056949","26.2936","0.0003","24.352","0.0003","26.5498","0.0003","90","","90","","90","","16999.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H25.33333 F4 N6 O4.66667 Zn -","- C26 H24 F4 N6 O4.66667 Zn -","- C624 H576 F96 N144 O112 Zn24 -","24","3","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0955","0.0486","","","0.1178","0.1409","","","","","","1.006","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7056950","12.9576","0.0008","28.0951","0.0007","10.7178","0.0005","90","","126.182","0.008","90","","3149.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 Cl6 F4 N4 O4 Zn -","- C26 H14 Cl6 F4 N4 O4 Zn -","- C104 H56 Cl24 F16 N16 O16 Zn4 -","4","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0699","0.0521","","","0.122","0.1335","","","","","","1.053","","","","has coordinates,has disorder","205871","2020-10-21","18:00:00",""
"7056951","14.0406","0.0002","10.5121","0.0002","13.961","0.0002","90","","92.836","0.001","90","","2058.07","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O6 Zn -","- C24 H16 N4 O6 Zn -","- C96 H64 N16 O24 Zn4 -","4","1","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","1.54184","CuKα","","0.03","0.0265","","","0.0683","0.0709","","","","","","1.033","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056952","18.0287","0.0004","10.3166","0.0002","14.9805","0.0003","90","","106.022","0.001","90","","2678.06","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F4 N5 O4 Zn -","- C27 H19 F4 N5 O4 Zn -","- C108 H76 F16 N20 O16 Zn4 -","4","1","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0685","0.042","","","0.1038","0.118","","","","","","1.02","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056953","7.9159","0.0004","18.3331","0.001","13.4273","0.0007","90","","90","","90","","1948.61","0.18","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C19 H20 N4 O7 Zn -","- C19 H20 N4 O7 Zn -","- C76 H80 N16 O28 Zn4 -","4","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0353","0.0278","","","0.0735","0.079","","","","","","1.045","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056954","6.5421","0.0003","6.9212","0.0003","8.7493","0.0004","97.521","0.003","101.906","0.002","114.749","0.003","341.35","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 F4 N2 O6 Zn -","- C12 H8 F4 N2 O6 Zn -","- C12 H8 F4 N2 O6 Zn -","1","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","0.71073","MoKα","","0.0277","0.0268","","","0.0698","0.0704","","","","","","1.133","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056955","19.6242","0.0009","6.4863","0.0002","15.5404","0.0006","90","","126.316","0.006","90","","1593.89","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C56 H64 N8 O32 Zn4 -","4","0.5","","Koleša Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc","Bis(picolinato) complexes of vanadium and zinc as potential antidiabetic agents: synthesis, structural elucidation and in vitro insulin-mimetic activity study","New Journal of Chemistry","2018","","","","","10.1039/C7NJ04189F","","","1.54184","CuKα","","0.0283","0.0274","","","0.0756","0.0763","","","","","","1.073","","","","has coordinates","205871","2020-10-21","18:00:00",""
"7056956","11.401","0.005","12.131","0.006","20.955","0.01","90","","97.285","0.005","90","","2875","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N3 -","- C36 H35 N3 -","- C144 H140 N12 -","4","1","","Liu, Zhaodi; Hao, Fuying; Liu, Jie; Zhu, Yingzhong; Du, Wei; Zhang, Qiong; Wu, Jieying","Synthesis, crystal structures, one/two-photon optical properties and bioimaging application of two organic molecules with D‒A and D‒π‒A models containing 6-phenyl-2,2′-bipyridine","New Journal of Chemistry","2018","42","5","3947","","10.1039/C7NJ04812B","","","0.71073","MoKα","","0.0754","0.0631","","","0.1812","0.1952","","","","","","1.044","","","","has coordinates","230254","2020-10-21","18:00:00",""
"7056957","9.7012","0.0012","15.2517","0.0018","15.9105","0.0019","90","","99.164","0.002","90","","2324.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N3 -","- C28 H29 N3 -","- C112 H116 N12 -","4","1","","Liu, Zhaodi; Hao, Fuying; Liu, Jie; Zhu, Yingzhong; Du, Wei; Zhang, Qiong; Wu, Jieying","Synthesis, crystal structures, one/two-photon optical properties and bioimaging application of two organic molecules with D‒A and D‒π‒A models containing 6-phenyl-2,2′-bipyridine","New Journal of Chemistry","2018","42","5","3947","","10.1039/C7NJ04812B","","","0.71073","MoKα","","0.11","0.0767","","","0.2203","0.2559","","","","","","1.05","","","","has coordinates,has disorder","230254","2020-10-21","18:00:00",""
"7056958","11.0704","0.0009","14.3596","0.0011","17.1745","0.001","79.77","0.006","87.148","0.006","69.427","0.008","2515.2","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H64 N2 -","- C65 H64 N2 -","- C130 H128 N4 -","2","1","","Zheng, Zheng; Ayhan, Mehmet Menaf; Liao, Yuan-Yuan; Calin, Nathalie; Bucher, Christophe; Andraud, Chantal; Bretonnière, Yann","Design of two-photon absorbing fluorophores for FRET antenna-core oxygen probes","New Journal of Chemistry","2018","42","10","7914","","10.1039/C7NJ05073A","","","1.54184","CuKα","","0.1069","0.0884","","","0.2748","0.2911","","","","","","1.069","","","","has coordinates","230195","2020-10-21","18:00:00",""
"7056959","18.5324","0.0013","7.4286","0.0005","27.642","0.002","90","","102.721","0.007","90","","3712.1","0.5","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 S2 -","- C45 H50 S2 -","- C180 H200 S8 -","4","1","","Zheng, Zheng; Ayhan, Mehmet Menaf; Liao, Yuan-Yuan; Calin, Nathalie; Bucher, Christophe; Andraud, Chantal; Bretonnière, Yann","Design of two-photon absorbing fluorophores for FRET antenna-core oxygen probes","New Journal of Chemistry","2018","42","10","7914","","10.1039/C7NJ05073A","","","1.54184","CuKα","","0.0459","0.0402","","","0.1022","0.108","","","","","","1.018","","","","has coordinates","230195","2020-10-21","18:00:00",""
"7056960","19.7298","0.0007","19.7298","0.0007","19.036","0.0007","90","","90","","120","","6417.3","0.4","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C12 H10 Cl0.04 N2 O2 -","- C12.75 H7.5 Cl0.75 N2.25 O0.75 -","- C306 H180 Cl18 N54 O18 -","24","1.33333","","Singh, Jay Bahadur; Mishra, Kalpana; Gupta, Tanu; Singh, Radhey M.","Copper-catalyzed cascade reaction: synthesis of pyrimido[4,5-b]quinolinones from 2-chloroquinoline-3-carbonitriles with (aryl)methanamines","New Journal of Chemistry","2018","42","5","3310","","10.1039/C7NJ04689H","","","0.71073","MoKα","","0.0646","0.0458","","","0.0959","0.1033","","","","","","1.022","","","","has coordinates","230265","2020-10-21","18:00:00",""
"7056961","9.3941","0.0002","15.6006","0.0004","11.3901","0.0003","90","","110.569","0.003","90","","1562.84","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","1.54184","CuKα","","0.0415","0.0385","","","0.0999","0.1024","","","","","","1.046","","","","has coordinates","230274","2020-10-21","18:00:00",""
"7056962","18.5582","0.0004","7.2193","0.0001","29.697","0.0005","90","","97.879","0.002","90","","3941.16","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl Cu N3 O6 -","- C19 H16 Cl Cu N3 O6 -","- C152 H128 Cl8 Cu8 N24 O48 -","8","1","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","1.54184","CuKα","","0.0361","0.035","","","0.0999","0.1009","","","","","","1.061","","","","has coordinates","230274","2020-10-21","18:00:00",""
"7056963","10.8813","0.0009","9.9859","0.0009","18.908","0.002","90","","92.166","0.009","90","","2053.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cu2 N11 O10 -","- C42 H36 Cu2 N11 O10 -","- C84 H72 Cu4 N22 O20 -","2","0.5","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","0.71073","MoKα","","0.1573","0.1231","","","0.2349","0.2542","","","","","","1.213","","","","has coordinates,has disorder","230274","2020-10-21","18:00:00",""
"7056964","10.79","0.002","19.988","0.004","16.376","0.003","90","","95.718","0.003","90","","3514.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29.75 Cl Cu N6 O6.36 -","- C38 H29.754 Cl0.996 Cu N6 O6.361 -","- C152 H119.016 Cl3.984 Cu4 N24 O25.444 -","4","1","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","0.71073","MoKα","","0.0494","0.0398","","","0.1047","0.1093","","","","","","1.03","","","","has coordinates,has disorder","230274","2020-10-21","18:00:00",""
"7056965","12.4219","0.0005","10.6123","0.0004","19.5746","0.0009","90","","101.469","0.005","90","","2528.9","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cu N6 O4 -","- C29 H22 Cu N6 O4 -","- C116 H88 Cu4 N24 O16 -","4","1","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","0.71073","MoKα","","0.0799","0.0522","","","0.1234","0.1413","","","","","","1.046","","","","has coordinates","230274","2020-10-21","18:00:00",""
"7056966","16.3675","0.0012","19.9703","0.0015","21.5735","0.0016","90","","95.567","0.001","90","","7018.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H60 Cl2 Cu2 N12 O13 -","- C76 H60 Cl2 Cu2 N12 O13 -","- C304 H240 Cl8 Cu8 N48 O52 -","4","1","","Patel, Ram N.; Singh, Yogendra; Singh, Yogendra Pratap; Patel, Abhay K.; Patel, Neetu; Singh, Rita; Butcher, Raymond J.; Jasinski, Jerry P.; Colacio, Enrique; Palacios, Maria A.","Varying structural motifs, unusual X-band electron paramagnetic spectra, DFT studies and superoxide dismutase enzymatic activity of copper(ii) complexes with N′-[(E)-phenyl(pyridin-2-yl)methylidene]benzohydrazide","New Journal of Chemistry","2018","42","4","3112","","10.1039/C7NJ04182A","","","0.71073","MoKα","","0.1184","0.0602","","","0.1534","0.1836","","","","","","0.999","","","","has coordinates,has disorder","230274","2020-10-21","18:00:00",""
"7056967","27.4912","0.0007","11.5671","0.0003","11.9907","0.0003","90","","110.344","0.002","90","","3575.12","0.16","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H21 Br N2 O5 -","- C17 H21 Br N2 O5 -","- C136 H168 Br8 N16 O40 -","8","1","","Ye, Fei; Boukattaya, Fatma; Haddad, Mansour; Ratovelomanana-Vidal, Virginie; Michelet, Véronique","Synthesis of 2-aminopyridines via ruthenium-catalyzed [2+2+2] cycloaddition of 1,6- and 1,7-diynes with cyanamides: scope and limitations","New Journal of Chemistry","2018","42","5","3222","","10.1039/C7NJ04933A","","","0.71073","MoKα","","0.0308","0.0236","","","0.0582","0.0611","","","","","","1.029","","","","has coordinates","230262","2020-10-21","18:00:00",""
"7056968","7.1178","0.0002","17.9132","0.0005","19.8302","0.0006","90","","90","","90","","2528.4","0.13","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O3 -","- C30 H38 N2 O3 -","- C120 H152 N8 O12 -","4","1","","Ye, Fei; Boukattaya, Fatma; Haddad, Mansour; Ratovelomanana-Vidal, Virginie; Michelet, Véronique","Synthesis of 2-aminopyridines via ruthenium-catalyzed [2+2+2] cycloaddition of 1,6- and 1,7-diynes with cyanamides: scope and limitations","New Journal of Chemistry","2018","42","5","3222","","10.1039/C7NJ04933A","","","1.54178","CuKα","","0.0421","0.0405","","","0.0983","0.0998","","","","","","1.062","","","","has coordinates","230262","2020-10-21","18:00:00",""
"7056969","16.0345","0.0007","17.0024","0.0007","13.3898","0.0006","90","","90","","90","","3650.4","0.3","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","Sn(1,2-HOPO) trihydrate","","","- C34 H40 N8 O15 Sn -","- C34 H38 N8 O15 Sn -","- C136 H152 N32 O60 Sn4 -","4","0.5","","Deblonde, Gauthier J.-P.; Lohrey, Trevor D.; An, Dahlia D.; Abergel, Rebecca J.","Toxic heavy metal ‒ Pb, Cd, Sn ‒ complexation by the octadentate hydroxypyridinonate ligand archetype 3,4,3-LI(1,2-HOPO)","New Journal of Chemistry","2018","42","10","7649","","10.1039/C7NJ04559J","","","0.7749","synchrotron","","0.0395","0.0318","","","0.0733","0.0765","","","","","","1.044","","","","has coordinates","230188","2020-10-21","18:00:00",""
"7056970","6.928","0.002","7.487","0.003","20.058","0.007","96.78","0.006","91.281","0.006","95.55","0.006","1027.7","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl2 O10 Sr -","- C16 H20 Cl2 O10 Sr -","- C32 H40 Cl4 O20 Sr2 -","2","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.1093","0.0896","","","0.2432","0.2702","","","","","","1.004","","","","has coordinates","230317","2020-10-21","18:00:00",""
"7056971","6.837","0.002","7.377","0.003","20.863","0.007","95.035","0.006","95.389","0.005","91.338","0.006","1043","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cl2 O10 Sr -","- C16 H20 Cl2 O10 Sr -","- C32 H40 Cl4 O20 Sr2 -","2","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0832","0.0674","","","0.1955","0.211","","","","","","1.066","","","","has coordinates","230317","2020-10-21","18:00:00",""
"7056972","6.598","","7.511","","19.292","","90","","96.99","","90","","948.959","","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Ba Cl2 O7 -","- C16 H14 Ba Cl2 O7 -","- C32 H28 Ba2 Cl4 O14 -","2","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0269","0.0262","","","0.0727","0.0734","","","","","","1.106","","","","has coordinates,has disorder","230317","2020-10-21","18:00:00",""
"7056973","6.4624","0.0006","7.1964","0.0007","38.762","0.004","90","","90.898","0.001","90","","1802.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 O7 Sr -","- C16 H14 Cl2 O7 Sr -","- C64 H56 Cl8 O28 Sr4 -","4","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0583","0.044","","","0.1435","0.1553","","","","","","1.115","","","","has coordinates","230317","2020-10-21","18:00:00",""
"7056974","16.999","0.003","7.709","0.0014","13.979","0.003","90","","92.294","0.003","90","","1830.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Ba Cl2 O8 -","- C16 H16 Ba Cl2 O8 -","- C64 H64 Ba4 Cl8 O32 -","4","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0418","0.0399","","","0.1043","0.1057","","","","","","1.162","","","","has coordinates","230317","2020-10-21","18:00:00",""
"7056975","7.109","0.001","7.478","0.001","21.187","0.004","82.464","0.003","89.801","0.002","87.715","0.003","1115.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Ba Cl2 O11 -","- C16 H22 Ba Cl2 O11 -","- C32 H44 Ba2 Cl4 O22 -","2","1","","Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi","Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids","New Journal of Chemistry","2018","42","6","4155","","10.1039/C8NJ00107C","","","0.71073","MoKα","","0.0564","0.0524","","","0.1412","0.1558","","","","","","1.051","","","","has coordinates,has disorder","230317","2020-10-21","18:00:00",""
"7056976","18.078","0.003","19.791","0.004","27.758","0.005","89.91","0.004","89.021","0.003","64.574","0.003","8968","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C222 H123 Ir3 N12 -","- C222 H123 Ir3 N12 -","- C444 H246 Ir6 N24 -","2","1","","To, Ching Tat; Chan, Kin Shing","Complexes of guest‒host type between C60 and group 9 metalloporphyrins","New Journal of Chemistry","2018","42","10","7599","","10.1039/C7NJ05081J","","","0.71073","MoKα","","0.1301","0.1","","","0.3003","0.3239","","","","","","1.15","","","","has coordinates","230204","2020-10-21","18:00:00",""
"7056977","16.3792","0.0007","22.5894","0.001","21.6432","0.001","90","","94.058","0.001","90","","7987.8","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C114 H41 Ir N4 -","- C114 H41 Ir N4 -","- C456 H164 Ir4 N16 -","4","0.5","","To, Ching Tat; Chan, Kin Shing","Complexes of guest‒host type between C60 and group 9 metalloporphyrins","New Journal of Chemistry","2018","42","10","7599","","10.1039/C7NJ05081J","","","0.71073","MoKα","","0.0303","0.0262","","","0.0641","0.0652","","","","","","1.038","","","","has coordinates,has disorder","230204","2020-10-21","18:00:00",""
"7056978","16.367","0.003","22.892","0.004","21.508","0.004","90","","93.794","0.004","90","","8041","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","C60-Co(ttp)Ph","","","- C121 H49 Co N4 -","- C117 H49 Co N4 -","- C468 H196 Co4 N16 -","4","0.5","","To, Ching Tat; Chan, Kin Shing","Complexes of guest‒host type between C60 and group 9 metalloporphyrins","New Journal of Chemistry","2018","42","10","7599","","10.1039/C7NJ05081J","","","0.71073","MoKα","","0.1419","0.1127","","","0.3073","0.3307","","","","","","1.235","","","","has coordinates","230204","2020-10-21","18:00:00",""
"7056979","10.4271","0.0008","10.9326","0.001","12.6606","0.001","82.471","0.003","87.024","0.002","89.204","0.003","1428.8","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H54 Au2 F12 N12 O P2 -","- C52 H54 Au2 F12 N12 O P2 -","- C52 H54 Au2 F12 N12 O P2 -","1","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0905","0.0603","","","0.1414","0.1538","","","","","","1.065","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056980","9.0425","0.0015","9.3574","0.0016","9.7188","0.0017","63.038","0.003","85.745","0.003","71.462","0.003","692.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 F12 N6 P2 -","- C22 H28 F12 N6 P2 -","- C22 H28 F12 N6 P2 -","1","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.1146","0.1014","","","0.3087","0.329","","","","","","1.404","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056981","16.844","0.0018","18.928","0.002","11.487","0.0013","90","","90","","90","","3662.3","0.7","150","2","150","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C44 H52 Au2 F12 N12 P2 -","- C44 H52 Au2 F12 N12 P2 -","- C88 H104 Au4 F24 N24 P4 -","2","0.125","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0611","0.0558","","","0.1632","0.1692","","","","","","1.487","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7056982","8.2979","0.0009","12.1995","0.0013","16.345","0.0018","75.187","0.002","89.641","0.002","71.594","0.002","1512.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 F12 N7 P2 -","- C25 H31 F12 N7 P2 -","- C50 H62 F24 N14 P4 -","2","1","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0549","0.0501","","","0.1319","0.1361","","","","","","1.052","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056983","12.3","0.003","12.549","0.003","12.557","0.003","101.682","0.004","105.479","0.004","107.42","0.004","1696.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H68 F24 N16 P4 -","- C54 H68 F24 N16 P4 -","- C54 H68 F24 N16 P4 -","1","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0865","0.0526","","","0.1418","0.1594","","","","","","1.024","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7056984","13.2791","0.0008","15.8555","0.001","13.7001","0.0008","90","","91.707","0.002","90","","2883.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F12 N6 P2 -","- C25 H26 F12 N6 P2 -","- C100 H104 F48 N24 P8 -","4","1","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0806","0.0619","","","0.1347","0.143","","","","","","1.068","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056985","16.3158","0.0009","21.8651","0.0012","15.697","0.0009","90","","107.662","0.002","90","","5335.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Au2 F12 N10 P2 -","- C42 H46 Au2 F12 N10 P2 -","- C168 H184 Au8 F48 N40 P8 -","4","1","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.1185","0.0692","","","0.1741","0.1957","","","","","","1.086","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056986","19.8816","0.0015","19.6411","0.0015","17.4125","0.0013","90","","111.78","0.002","90","","6314.1","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 Ag3 F18 N14 P3 -","- C54 H54 Ag3 F18 N14 P3 -","- C216 H216 Ag12 F72 N56 P12 -","4","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0877","0.0594","","","0.1423","0.1535","","","","","","1.055","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7056987","11.581","0.001","13.0142","0.0011","14.4842","0.0012","111.816","0.002","94.973","0.002","101.746","0.002","1952.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 Ag4 F24 N20 P4 -","- C60 H76 Ag4 F24 N20 P4 -","- C60 H76 Ag4 F24 N20 P4 -","1","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0499","0.0377","","","0.0834","0.0878","","","","","","1.029","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056988","16.413","0.003","31.614","0.006","17.239","0.003","90","","115.306","0.003","90","","8087","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H64 Ag3 F18 N16 P3 -","- C54 H64 Ag3 F18 N16 P3 -","- C216 H256 Ag12 F72 N64 P12 -","4","0.5","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.1981","0.103","","","0.2584","0.298","","","","","","1.198","","","","has coordinates,has disorder","230309","2020-10-21","18:00:00",""
"7056989","16.284","0.002","21.324","0.003","17.361","0.002","90","","90","","90","","6028.4","1.3","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C46 H52 Ag3 F18 N12 P3 -","- C46 H52 Ag3 F18 N12 P3 -","- C184 H208 Ag12 F72 N48 P12 -","4","0.25","","Lu, Taotao; Yang, Chu-Fan; Steren, Carlos A.; Fei, Fan; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and characterization of Ag(i) and Au(i) complexes with macrocyclic hybrid amine N-heterocyclic carbene ligands","New Journal of Chemistry","2018","42","6","4700","","10.1039/C7NJ04020B","","","0.71073","MoKα","","0.0955","0.0703","","","0.1646","0.1767","","","","","","1.167","","","","has coordinates","230309","2020-10-21","18:00:00",""
"7056990","8.868","0.0003","15.558","0.0005","23.326","0.0006","90","","100.659","0.002","90","","3162.72","0.17","153.15","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Co I N P3 -","- C35 H38 Co I N P3 -","- C140 H152 Co4 I4 N4 P12 -","4","1","","Zhang, Hua; Xing, Junyang; Dong, Yanhong; Xie, Shangqing; Ren, Shishuai; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Phosphine-assisted C‒H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands","New Journal of Chemistry","2018","42","6","4646","","10.1039/C7NJ03480F","","x-ray","0.71073","MoKα","","0.0303","0.0228","","","0.051","0.053","","","","","","0.973","","","","has coordinates","230308","2020-10-21","18:00:00",""
"7056991","40.6142","0.0016","9.1256","0.0003","15.9365","0.0006","90","","105.127","0.005","90","","5701.9","0.4","174.15","","174.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H37 Co N P3 -","- C31 H37 Co N P3 -","- C248 H296 Co8 N8 P24 -","8","1","","Zhang, Hua; Xing, Junyang; Dong, Yanhong; Xie, Shangqing; Ren, Shishuai; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Phosphine-assisted C‒H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands","New Journal of Chemistry","2018","42","6","4646","","10.1039/C7NJ03480F","","x-ray","0.71073","MoKα","","0.0516","0.0382","","","0.0935","0.0997","","","","","","1.024","","","","has coordinates","230308","2020-10-21","18:00:00",""
"7056992","8.7562","0.0003","16.0052","0.0004","23.0007","0.0009","90","","99.977","0.003","90","","3174.68","0.19","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Co N P3 -","- C35 H40 Co N P3 -","- C140 H160 Co4 N4 P12 -","4","1","","Zhang, Hua; Xing, Junyang; Dong, Yanhong; Xie, Shangqing; Ren, Shishuai; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Phosphine-assisted C‒H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands","New Journal of Chemistry","2018","42","6","4646","","10.1039/C7NJ03480F","","x-ray","0.71073","MoKα","","0.0317","0.0265","","","0.0684","0.0717","","","","","","1.027","","","","has coordinates","230308","2020-10-21","18:00:00",""
"7056993","10.289","0.002","15.896","0.003","18.982","0.004","90","","104.414","0.002","90","","3006.9","1","297","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2017Li01","","- C34 H30 Co N O2 P2 -","- C34 H30 Co N O2 P2 -","- C136 H120 Co4 N4 O8 P8 -","4","1","","Zhang, Hua; Xing, Junyang; Dong, Yanhong; Xie, Shangqing; Ren, Shishuai; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Phosphine-assisted C‒H bond activation in Schiff bases and formation of novel organo cobalt complexes bearing Schiff base ligands","New Journal of Chemistry","2018","42","6","4646","","10.1039/C7NJ03480F","","","0.71","synchrotron","","0.1045","0.0483","","","0.0835","0.1048","","","","","","1.043","","","","has coordinates,has disorder","230308","2020-10-21","18:00:00",""
"7056994","23.561","0.004","5.5343","0.0007","33.019","0.007","90","","105.037","0.013","90","","4158","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 N4 O2 P2 -","- C20 H30 N4 O2 P2 -","- C160 H240 N32 O16 P16 -","8","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0449","0.0432","","","0.0975","0.0982","","","","","","1.246","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7056995","15.3034","0.0003","17.1558","0.0003","17.7407","0.0003","90","","90","","90","","4657.68","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 P2 S2 -","- C20 H30 N4 P2 S2 -","- C160 H240 N32 P16 S16 -","8","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0306","0.0277","","","0.0729","0.0752","","","","","","1.08","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7056996","21.6468","0.0005","14.6286","0.0003","16.9134","0.0004","90","","112.636","0.001","90","","4943.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 N4 O2 P2 S -","- C21 H34 N4 O2 P2 S -","- C168 H272 N32 O16 P16 S8 -","8","2","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0649","0.0532","","","0.1249","0.1317","","","","","","1.058","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7056997","14.0313","0.0004","21.65","0.0006","12.1766","0.0003","90","","90","","90","","3698.98","0.17","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C28 H36 F12 N4 O4 P2 S -","- C28 H36 F12 N4 O4 P2 S -","- C112 H144 F48 N16 O16 P8 S4 -","4","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0439","0.0416","","","0.1115","0.1129","","","","","","0.994","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7056998","9.148","0.0006","17.8831","0.0019","22.334","0.002","90","","93.484","0.009","90","","3647","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 F12 N4 O2 P2 S2 -","- C28 H34 F12 N4 O2 P2 S2 -","- C112 H136 F48 N16 O8 P8 S8 -","4","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0391","0.0371","","","0.0884","0.0897","","","","","","1.036","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7056999","11.177","0.002","13.8549","0.0018","14.3529","0.0016","78.106","0.009","79.722","0.019","75.226","0.015","2084.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H45 F12 N6 P3 S3 -","- C32 H45 F12 N6 P3 S3 -","- C64 H90 F24 N12 P6 S6 -","2","1","","Wolf, Florian F.; Neudörfl, Jörg-M.; Goldfuss, Bernd","Hydrogen-bonding cyclodiphosphazanes: superior effects of 3,5-(CF3)2-substitution in anion-recognition and counter-ion catalysis","New Journal of Chemistry","2018","42","7","4854","","10.1039/C7NJ04660J","","","1.54178","CuKα","","0.0321","0.0311","","","0.0757","0.0762","","","","","","1.068","","","","has coordinates","230420","2020-10-21","18:00:00",""
"7057000","14.2556","0.0014","9.1252","0.0007","24.169","0.002","90","","90","","90","","3144","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(naphthalen-1-yl)benzenesulfonamidee","<i>N</i>-(naphthalen-1-yl)benzenesulfonamide","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Asiri, Abdullah M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","A Ce2+ sensor based on napthalen-1-yl-methylene-benzenesulfonohydrazide (NMBSH) molecules: ecological sample analysis","New Journal of Chemistry","2018","42","6","4465","","10.1039/C7NJ05109C","","","0.71073","MoKα","","0.1505","0.0661","","","0.1718","0.219","","","","","","1.035","","","","has coordinates","230315","2020-10-21","18:00:00",""
"7057001","9.9621","0.0009","11.8993","0.0012","14.2532","0.0013","90","","95.48","0.008","90","","1681.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","4-Methyl-<i>N</i>-(naphthalen-1-yl)benzenesulfonamidee","4-Methyl-<i>N</i>-(naphthalen-1-yl)benzenesulfonamide","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C72 H64 N8 O8 S4 -","4","1","","Asiri, Abdullah M.; Hussain, Mohammad Musarraf; Arshad, Muhammad Nadeem; Rahman, Mohammed M.","A Ce2+ sensor based on napthalen-1-yl-methylene-benzenesulfonohydrazide (NMBSH) molecules: ecological sample analysis","New Journal of Chemistry","2018","42","6","4465","","10.1039/C7NJ05109C","","","0.71073","MoKα","","0.0826","0.049","","","0.1227","0.1438","","","","","","1.029","","","","has coordinates","230315","2020-10-21","18:00:00",""
"7057002","28.787","0.002","8.9631","0.0007","21.4722","0.0015","90","","131.572","0.002","90","","4144.8","0.5","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Mn N4 Si2 -","- C16 H26 Mn N4 Si2 -","- C128 H208 Mn8 N32 Si16 -","8","1","","Du, Liyong; Yu, Shaoshan; Liu, Xinfang; Ding, Yuqiang","An aminopyridinato Mn(ii) compound as a novel CVD precursor for manganese-containing films","New Journal of Chemistry","2018","42","6","4553","","10.1039/C8NJ00062J","","","0.71073","MoKα","","0.1242","0.084","","","0.2449","0.2868","","","","","","1.044","","","","has coordinates,has disorder","230318","2020-10-21","18:00:00",""
"7057003","16.7872","0.0009","24.9663","0.0013","26.3075","0.0013","90","","91.737","0.002","90","","11020.8","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 F15 N4 O2 -","- C54 H29 F15 N4 O2 -","- C432 H232 F120 N32 O16 -","8","1","","Almeida, José; Silva, André M. N.; Rebelo, Susana L. H.; Cunha-Silva, Luís; Rangel, Maria; de Castro, Baltazar; Leite, Andreia; Silva, Ana M. G.","Synthesis and coordination studies of 5-(4′-carboxyphenyl)-10,15,20-tris(pentafluorophenyl)porphyrin and its pyrrolidine-fused chlorin derivative","New Journal of Chemistry","2018","42","10","8169","","10.1039/C7NJ05165D","","","0.71073","MoKα","","0.0758","0.0626","","","0.2499","0.2696","","","","","","1.183","","","","has coordinates","230193","2020-10-21","18:00:00",""
"7057004","8.9864","0.0005","11.0902","0.0004","11.4091","0.0006","91.56","0.004","113.048","0.005","105.14","0.004","999.18","0.1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Au Cl0 F5 P S -","- C19 H12 Au F5 P S -","- C38 H24 Au2 F10 P2 S2 -","2","1","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0354","0.029","","","0.0569","0.0605","","","","","","1.018","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057005","8.985","0.0005","10.8789","0.0005","11.1836","0.0006","76.038","0.004","67.746","0.005","75.977","0.004","967.88","0.09","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Au2 F4 P2 S2 -","- C38 H30 Au2 F4 P2 S2 -","- C38 H30 Au2 F4 P2 S2 -","1","0.5","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0288","0.0247","","","0.0486","0.0507","","","","","","1.045","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057006","8.97","0.0005","10.9988","0.0007","11.4532","0.0007","75.894","0.005","67.698","0.005","75.461","0.005","997.96","0.11","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Au2 F8 P2 S2 -","- C38 H26 Au2 F8 P2 S2 -","- C38 H26 Au2 F8 P2 S2 -","1","0.5","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0525","0.0402","","","0.0821","0.0892","","","","","","1.04","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057007","9.7553","0.0004","14.6526","0.0008","15.2724","0.001","64.407","0.006","77.001","0.005","83.625","0.004","1918.2","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Au2 F6 P2 S2 -","- C40 H32 Au2 F6 P2 S2 -","- C80 H64 Au4 F12 P4 S4 -","2","1","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0569","0.0363","","","0.0787","0.0904","","","","","","1.057","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057008","11.8084","0.0007","19.9316","0.001","15.9884","0.0008","90","","110.408","0.006","90","","3526.8","0.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Au2 F4 P2 S2 -","- C38 H30 Au2 F4 P2 S2 -","- C152 H120 Au8 F16 P8 S8 -","4","1","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0493","0.0322","","","0.0586","0.066","","","","","","1.047","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057009","11.5947","0.0005","19.9982","0.001","15.8994","0.0007","90","","108.857","0.005","90","","3488.8","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Au2 F2 P2 S2 -","- C38 H32 Au2 F2 P2 S2 -","- C152 H128 Au8 F8 P8 S8 -","4","1","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.078","0.0552","","","0.1113","0.1239","","","","","","1.071","","","","has coordinates,has disorder","230185","2020-10-21","18:00:00",""
"7057010","12.5426","0.0005","12.7737","0.0004","13.3107","0.0005","84.665","0.003","67.65","0.004","74.963","0.003","1904.8","0.13","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H64 Au4 F12 P4 S4 -","- C80 H64 Au4 F12 P4 S4 -","- C80 H64 Au4 F12 P4 S4 -","1","0.5","","Moreno-Alcántar, Guillermo; Romo-Islas, Guillermo; Flores-Álamo, Marcos; Torrens, Hugo","Aurophilicity vs. thiophilicity: directing the crystalline supramolecular arrangement in luminescent gold compounds","New Journal of Chemistry","2018","42","10","7845","","10.1039/C7NJ04354F","","","0.71073","MoKα","","0.0573","0.0399","","","0.0813","0.0929","","","","","","1.032","","","","has coordinates","230185","2020-10-21","18:00:00",""
"7057011","13.4139","0.0016","19.1246","0.0019","9.4516","0.0009","90","","103.255","0.01","90","","2360.1","0.4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl2 N4 O4 -","- C22 H22 Cl2 N4 O4 -","- C88 H88 Cl8 N16 O16 -","4","1","","Canard, Gabriel; Chen, Zhongrui; Suryaningtias, Aprilliyani; Jean, Marion; Vanthuyne, Nicolas; Giorgi, Michel; Roussel, Christian; Siri, Olivier","Regioselective addition of DDQ on a quinoid ring: an entry into chiral zwitterionic bridging ligands","New Journal of Chemistry","2018","42","10","8247","","10.1039/C7NJ03765A","","x-ray","1.54184","CuKα","","0.1383","0.082","","","0.2048","0.2342","","","","","","1.032","","","","has coordinates,has disorder","230198","2020-10-21","18:00:00",""
"7057012","7.9128","0.0006","16.8566","0.0012","17.3103","0.0012","88.592","0.002","88.414","0.002","82.929","0.002","2289.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 F12 N4 P2 -","- C50 H40 F12 N4 P2 -","- C100 H80 F24 N8 P4 -","2","1","","Gosset, A.; Xu, Z.; Maurel, F.; Chamoreau, L.-M.; Nowak, S.; Vives, G.; Perruchot, C.; Heitz, V.; Jacquot de Rouville, H.-P.","A chemically-responsive bis-acridinium receptor","New Journal of Chemistry","2018","42","6","4728","","10.1039/C7NJ03712K","","","0.71073","MoKα","","0.0628","0.047","","","0.1289","0.1414","","","","","","1.039","","","","has coordinates,has disorder","230316","2020-10-21","18:00:00",""
"7057013","10.579","0.0006","11.3818","0.0006","11.6474","0.0007","108.722","0.003","103.837","0.003","111.593","0.003","1128.81","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Polyoxoometallate","Na6(H2O)22(V10O28).2H2O","","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","- H48 Na6 O52 V10 -","1","0.5","","Sharma, Mitu; Saikia, Gangutri; Ahmed, Kabirun; Gogoi, Sandhya Rani; Puranik, Vedavati G.; Islam, Nashreen S.","Vanadium-based polyoxometalate complex as a new and efficient catalyst for phenol hydroxylation under mild conditions","New Journal of Chemistry","2018","42","7","5142","","10.1039/C7NJ04433J","","","0.71073","MoKα","","0.1245","0.0437","","","0.0678","0.0745","","","","","","0.973","","","","has coordinates","230424","2020-10-21","18:00:00",""
"7057014","6.472","0.003","27.71","0.011","8.31","0.003","90","","110.61","0.009","90","","1394.9","1","115","1","115","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O7 U -","- C10 H18 N2 O7 U -","- C40 H72 N8 O28 U4 -","4","1","","Sornosa-Ten, Alejandra; Jewula, Pawel; Fodor, Tamas; Brandès, Stéphane; Sladkov, Vladimir; Rousselin, Yoann; Stern, Christine; Chambron, Jean-Claude; Meyer, Michel","Effects of preorganization in the chelation of UO22+by hydroxamate ligands: cyclic PIPO−vs.linear NMA−","New Journal of Chemistry","2018","42","10","7765","","10.1039/C8NJ00166A","","x-ray","0.71073","MoKα","","0.0284","0.0273","","","0.0595","0.06","","","","","","1.309","","","","has coordinates","230190","2020-10-21","18:00:00",""
"7057015","7.5931","0.0019","9.5094","0.0019","13.177","0.003","103.046","0.008","106.647","0.009","94.822","0.008","876.7","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Br2 Cu N12 O10 -","- C24 H36 Br2 Cu N12 O10 -","- C24 H36 Br2 Cu N12 O10 -","1","0.5","","Berezin, A. S.; Ivanova, A. D.; Komarov, V. Yu.; Nadolinny, V. A.; Lavrenova, L. G.","Influence of water on the structure and magnetic properties of a copper bromide coordination compound with 3-amino-4-ethoxycarbonylpyrazole","New Journal of Chemistry","2018","42","7","4902","","10.1039/C8NJ00017D","","","0.71073","MoKα","","0.102","0.048","","","0.0751","0.0885","","","","","","0.974","","","","has coordinates","230422","2020-10-21","18:00:00",""
"7057016","11.262","0.003","7.5904","0.0017","21.555","0.004","90","","94.803","0.007","90","","1836.1","0.7","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Br2 Cu N12 O10 -","- C24 H40 Br2 Cu N12 O10 -","- C48 H80 Br4 Cu2 N24 O20 -","2","0.5","","Berezin, A. S.; Ivanova, A. D.; Komarov, V. Yu.; Nadolinny, V. A.; Lavrenova, L. G.","Influence of water on the structure and magnetic properties of a copper bromide coordination compound with 3-amino-4-ethoxycarbonylpyrazole","New Journal of Chemistry","2018","42","7","4902","","10.1039/C8NJ00017D","","","0.71073","MoKα","","0.0317","0.0248","","","0.0575","0.0602","","","","","","1.037","","","","has coordinates","230422","2020-10-21","18:00:00",""
"7057017","30.7828","0.0017","5.6317","0.0003","20.8991","0.0012","90","","100.075","0.002","90","","3567.2","0.3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H38 Br2 Cu N12 O9 -","- C24 H36 Br2 Cu N12 O9 -","- C96 H144 Br8 Cu4 N48 O36 -","4","1","","Berezin, A. S.; Ivanova, A. D.; Komarov, V. Yu.; Nadolinny, V. A.; Lavrenova, L. G.","Influence of water on the structure and magnetic properties of a copper bromide coordination compound with 3-amino-4-ethoxycarbonylpyrazole","New Journal of Chemistry","2018","42","7","4902","","10.1039/C8NJ00017D","","","0.71073","MoKα","","0.0497","0.0331","","","0.0754","0.0816","","","","","","1.028","","","","has coordinates","230422","2020-10-21","18:00:00",""
"7057018","9.173","0.002","14.015","0.004","15.954","0.005","90","","106.572","0.008","90","","1965.8","0.9","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N8 O16 Tb2 -","- C36 H30 N8 O16 Tb2 -","- C72 H60 N16 O32 Tb4 -","2","0.5","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0743","0.046","","","0.0957","0.1057","","","","","","1.034","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057019","9.1835","0.0006","13.8511","0.0009","15.925","0.0012","90","","105.826","0.002","90","","1948.9","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Ho2 N8 O16 -","- C36 H30 Ho2 N8 O16 -","- C72 H60 Ho4 N16 O32 -","2","0.5","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0467","0.0287","","","0.0438","0.0472","","","","","","1.068","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057020","9.3218","0.0005","13.8104","0.0007","15.8272","0.001","90","","105.427","0.006","90","","1964.1","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Er2 N8 O16 -","- C36 H30 Er2 N8 O16 -","- C72 H60 Er4 N16 O32 -","2","0.5","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0667","0.036","","","0.0456","0.053","","","","","","0.963","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057021","16.664","0.004","21.339","0.005","13.994","0.004","90","","111.143","0.007","90","","4641","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Eu2 N8 O17 -","- C36 H32 Eu2 N8 O17 -","- C144 H128 Eu8 N32 O68 -","4","1","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.1102","0.0595","","","0.1192","0.1303","","","","","","1.017","","","","has coordinates,has disorder","230426","2020-10-21","18:00:00",""
"7057022","13.3254","0.0008","13.4632","0.0008","14.0695","0.0012","63.357","0.002","84.227","0.003","80.344","0.002","2223.2","0.3","305","2","304.79","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N8 O18 Pr2 -","- C38 H38 N8 O18 Pr2 -","- C76 H76 N16 O36 Pr4 -","2","1","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0617","0.0281","","","0.0504","0.0659","","","","","","1.14","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057023","10.919","0.002","17.787","0.004","23.397","0.005","90","","102.12","0.03","90","","4442.8","1.7","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N10 Nd2 O16 -","- C40 H36 N10 Nd2 O16 -","- C160 H144 N40 Nd8 O64 -","4","1","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0478","0.0405","","","0.1102","0.1283","","","","","","1.195","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057024","10.896","0.002","17.785","0.004","23.351","0.005","90","","102","0.03","90","","4426.2","1.7","223.15","","223.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N10 O16 Sm2 -","- C40 H36 N10 O16 Sm2 -","- C160 H144 N40 O64 Sm8 -","4","1","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0488","0.041","","","0.1044","0.1181","","","","","","1.174","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057025","9.1598","0.0006","13.9123","0.0008","15.9391","0.001","90","","106.185","0.002","90","","1950.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Dy2 N8 O16 -","- C36 H30 Dy2 N8 O16 -","- C72 H60 Dy4 N16 O32 -","2","0.5","","Pan, Yangdan; Zhang, Haifeng; Qin, Yaru; Ge, Yu; Cui, Yanfeng; Li, Yahong; Liu, Wei; Dong, Yaping","Eight homodinuclear lanthanide complexes prepared from a quinoline based ligand: structural diversity and single-molecule magnetism behaviour","New Journal of Chemistry","2018","42","7","5153","","10.1039/C7NJ04622G","","","0.71073","MoKα","","0.0289","0.0207","","","0.0387","0.0405","","","","","","1.093","","","","has coordinates","230426","2020-10-21","18:00:00",""
"7057026","11.373","0.002","19.388","0.004","13.059","0.003","90","","95.49","0.03","90","","2866.3","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 F24 N4 O10 Pr2 -","- C52 H24 Br2 F24 N4 O10 Pr2 -","- C104 H48 Br4 F48 N8 O20 Pr4 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.035","0.0316","","","0.0926","0.0951","","","","","","1.078","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057027","11.44","0.002","19.297","0.004","13.025","0.003","90","","95.46","0.03","90","","2862.3","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 Er2 F24 N4 O10 -","- C52 H24 Br2 Er2 F24 N4 O10 -","- C104 H48 Br4 Er4 F48 N8 O20 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.0375","0.0312","","","0.0651","0.068","","","","","","1.122","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057028","11.413","0.002","19.349","0.004","13.064","0.003","90","","95.48","0.03","90","","2871.7","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 Dy2 F24 N4 O10 -","- C52 H24 Br2 Dy2 F24 N4 O10 -","- C104 H48 Br4 Dy4 F48 N8 O20 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.0374","0.0294","","","0.0618","0.0649","","","","","","1.002","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057029","11.399","0.002","19.265","0.004","13.014","0.003","90","","95.37","0.03","90","","2845.4","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 F24 Ho2 N4 O10 -","- C52 H24 Br2 F24 Ho2 N4 O10 -","- C104 H48 Br4 F48 Ho4 N8 O20 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.045","0.0367","","","0.0715","0.0754","","","","","","1.145","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057030","11.394","0.002","19.462","0.004","13.087","0.003","90","","95.52","0.03","90","","2888.6","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 F24 Gd2 N4 O10 -","- C52 H24 Br2 F24 Gd2 N4 O10 -","- C104 H48 Br4 F48 Gd4 N8 O20 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.0403","0.0332","","","0.0681","0.0714","","","","","","1.098","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057031","11.402","0.002","19.406","0.004","13.059","0.003","90","","95.57","0.03","90","","2875.9","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 F24 N4 O10 Tb2 -","- C52 H24 Br2 F24 N4 O10 Tb2 -","- C104 H48 Br4 F48 N8 O20 Tb4 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.0485","0.0339","","","0.0646","0.0693","","","","","","0.95","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057032","11.455","0.002","19.207","0.004","13.008","0.003","90","","95.35","0.03","90","","2849.5","1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H24 Br2 F24 Lu2 N4 O10 -","- C52 H24 Br2 F24 Lu2 N4 O10 -","- C104 H48 Br4 F48 Lu4 N8 O20 -","2","0.5","","Chu, Xiao-Ya; Zhang, Hong-Xia; Chang, Yi-Xin; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","A series of Ln2 complexes based on an 8-hydroxyquinoline derivative: slow magnetization relaxation and photo-luminescence properties","New Journal of Chemistry","2018","42","8","5688","","10.1039/C7NJ04942K","","","0.71073","MoKα","","0.0335","0.0287","","","0.0626","0.0648","","","","","","1.111","","","","has coordinates,has disorder","230242","2020-10-21","18:00:00",""
"7057033","8.0077","0.0003","18.8247","0.0006","20.1978","0.0007","90","","90","","90","","3044.67","0.18","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","usnic acid","usnic acid","","- C18 H16 O7 -","- C18 H16 O7 -","- C144 H128 O56 -","8","2","","Lage, Tiago C. A.; Maciel, Thamilla Maria S.; Mota, Yane C. C.; Sisto, Francesca; Sabino, José R.; Santos, Josué C. C.; Figueiredo, Isis M.; Masia, Carla; de Fátima, Ângelo; Fernandes, Sergio A.; Modolo, Luzia V.","In vitro inhibition of Helicobacter pylori and interaction studies of lichen natural products with jack bean urease","New Journal of Chemistry","2018","42","7","5356","","10.1039/C8NJ00072G","","","1.54178","CuKα","","0.0233","0.0231","","","0.0628","0.063","","","","","","1.044","","","","has coordinates","230428","2020-10-21","18:00:00",""
"7057034","27.5445","0.0019","14.3006","0.001","27.9545","0.0019","90","","110.075","0.001","90","","10342.4","1.2","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H23.5 As Cl2 Cu5 N11 O31.75 W9 -","- C22 H23.5 As Cl2 Cu5 N11 O31.75 W9 -","- C176 H188 As8 Cl16 Cu40 N88 O254 W72 -","8","1","","Cong, Bo-Wen; Su, Zhan-Hua; Zhao, Zhi-Feng; Zhao, Wen-Qi; Ma, Xiu-Juan; Xu, Qiu; Du, Li-Juan","A new 3D POMOF with two channels consisting of Wells‒Dawson arsenotungstate and {Cl4Cu10(pz)11} complexes: synthesis, crystal structure, and properties","New Journal of Chemistry","2018","42","6","4596","","10.1039/C7NJ04854H","","","0.71073","MoKα","","0.0566","0.0429","","","0.1158","0.1232","","","","","","1.034","","","","has coordinates","230311","2020-10-21","18:00:00",""
"7057035","14.325","0.006","14.325","0.006","14.325","0.006","90","","90","","90","","2940","2","296","2","296","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C24 H32 O20 Zn4 -","- C24 H31.9998 O20 Zn4 -","- C48 H63.9996 O40 Zn8 -","2","0.166667","","Ma, Yujie; Xu, Guanhong; Wei, Fangdi; Cen, Yao; Song, Yueyue; Shi, Menglan; Xu, Xiaoman; Sohail, Muhammad; Hu, Qin","Fluorescent zinc(ii)-based metal‒organic frameworks for nitroaromatics sensing","New Journal of Chemistry","2018","42","7","5162","","10.1039/C7NJ04966H","","","0.71073","MoKα","","0.0886","0.0714","","","0.2022","0.2235","","","","","","1.057","","","","has coordinates","230429","2020-10-21","18:00:00",""
"7057036","7.6203","0.0009","10.1947","0.0013","11.2268","0.0011","79.856","0.004","77.927","0.004","83.881","0.004","837.34","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H17 Br2 Cu2.5 N2 S2 -","- C10 H17 Br2 Cu2.5 N2 S2 -","- C20 H34 Br4 Cu5 N4 S4 -","2","1","","Himoto, K.; Suzuki, S.; Okubo, T.; Maekawa, M.; Kuroda-Sowa, T.","A new semiconducting 1D Cu(i)‒Cu(ii) mixed-valence coordination polymer with Cu(ii) dimethylpiperidine‒dithiocarbamate and a tetranuclear Cu(i)‒Br cluster unit","New Journal of Chemistry","2018","42","6","3995","","10.1039/C7NJ04763K","","","0.71075","MoKα","","0.0225","0.0191","","","0.0448","0.0454","","","","","","0.96","","","","has coordinates","230312","2020-10-21","18:00:00",""
"7057037","10.3728","0.0007","13.0176","0.0009","14.4077","0.0009","104.596","0.003","96.894","0.002","104.555","0.003","1787","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H36 Br8 K N3 O6 S -","- C21 H36 Br8 K N3 O6 S -","- C42 H72 Br16 K2 N6 O12 S2 -","2","1","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0724","0.0381","","","0.08","0.0898","","","","","","1.026","","","","has coordinates","230373","2020-10-21","18:00:00",""
"7057038","12.4744","0.0003","12.4744","0.0003","45.03","0.0012","90","","90","","120","","6068.4","0.3","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C62.78 H77.55 Br2 Cl5.56 K2 N22 O12 -","- C62.7798 H77.5476 Br2 Cl5.5596 K2 N22 O12 -","- C188.339 H232.643 Br6 Cl16.6788 K6 N66 O36 -","3","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","1.54178","CuKα","","0.0307","0.0299","","","0.0817","0.0823","","","","","","1.097","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057039","9.1839","0.0005","15.2227","0.0008","14.7732","0.0008","90","","93.029","0.002","90","","2062.46","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Br3 F N2 S -","- C14 H28 Br3 F N2 S -","- C56 H112 Br12 F4 N8 S4 -","4","1","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0585","0.0317","","","0.0708","0.0794","","","","","","1.063","","","","has coordinates","230373","2020-10-21","18:00:00",""
"7057040","12.4751","0.0005","12.4751","0.0005","15.0171","0.0006","90","","90","","120","","2023.97","0.14","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C64 H80 I2 K2 N24 O13 -","- C62.6664 H79.9998 I2 K2 N23.9998 O13.0002 -","- C62.6664 H79.9998 I2 K2 N23.9998 O13.0002 -","1","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0462","0.0301","","","0.0603","0.0652","","","","","","1.027","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057041","12.497","0.0008","12.497","0.0008","40.188","0.003","90","","90","","120","","5435.5","0.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C61 H74 Cl4 K2 N22 O12 -","- C61.0002 H74.0004 Cl4.0004 K2 N22 O12 -","- C183.001 H222.001 Cl12.0012 K6 N66 O36 -","3","0.166667","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0603","0.0419","","","0.0995","0.1084","","","","","","1.036","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057042","13.1749","0.0006","13.1749","0.0006","15.0846","0.0009","90","","90","","90","","2618.4","0.2","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C45 H30 Cl3 N25 -","- C45 H30 Cl3 N25 -","- C90 H60 Cl6 N50 -","2","0.25","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0549","0.0385","","","0.0918","0.1006","","","","","","1.013","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057043","13.3307","0.0006","13.3307","0.0006","15.2977","0.0008","90","","90","","90","","2718.5","0.2","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C48 H36 Br N25 -","- C48 H36 Br N25 -","- C96 H72 Br2 N50 -","2","0.25","","Grounds, Olivia; Zeller, Matthias; Rosokha, Sergiy V.","Structural preferences in strong anion‒π and halogen-bonded complexes: π- and σ-holes vs. frontier orbitals interaction","New Journal of Chemistry","2018","42","13","10572","","10.1039/C7NJ04843B","","","0.71073","MoKα","","0.0604","0.0331","","","0.0538","0.0587","","","","","","0.93","","","","has coordinates,has disorder","230373","2020-10-21","18:00:00",""
"7057044","7.3558","0.0005","9.8281","0.0007","13.8221","0.0012","72.201","0.005","78.852","0.006","74.947","0.005","911.69","0.12","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C32 H40 B20 -","2","1","","Nishino, Kenta; Uemura, Kyoya; Tanaka, Kazuo; Chujo, Yoshiki","Dual emission via remote control of molecular rotation of o-carborane in the excited state by the distant substituents in tolane-modified dyads","New Journal of Chemistry","2018","42","6","4210","","10.1039/C7NJ04283C","","","0.71075","MoKα","","0.0813","0.0674","","","0.1945","0.2427","","","","","","1.221","","","","has coordinates","230314","2020-10-21","18:00:00",""
"7057045","7.0713","0.0012","10.2615","0.0016","14.668","0.003","109.044","0.008","93.259","0.007","104.545","0.007","962.6","0.3","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 B10 O -","- C17 H22 B10 O -","- C34 H44 B20 O2 -","2","1","","Nishino, Kenta; Uemura, Kyoya; Tanaka, Kazuo; Chujo, Yoshiki","Dual emission via remote control of molecular rotation of o-carborane in the excited state by the distant substituents in tolane-modified dyads","New Journal of Chemistry","2018","42","6","4210","","10.1039/C7NJ04283C","","","0.71075","MoKα","","0.1923","0.0939","","","0.1952","0.2415","","","","","","1.027","","","","has coordinates","230314","2020-10-21","18:00:00",""
"7057046","8.6883","0.001","11.8246","0.0016","15.412","0.003","90","","90","","90","","1583.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C72 H64 N16 O8 -","8","2","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.0455","0.036","","","0.0845","0.0899","","","","","","1.057","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057047","6.7711","0.0006","8.4733","0.0011","15.8026","0.0017","78.747","0.01","87.742","0.008","75.439","0.01","860.62","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N5 O9 -","- C15 H11 N5 O9 -","- C30 H22 N10 O18 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.1153","0.0778","","","0.1504","0.1744","","","","","","1.04","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057048","3.8305","0.0004","13.112","0.002","14.5122","0.0018","80.38","0.012","82.576","0.01","86.434","0.012","711.99","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C24 H18 N10 O16 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.1148","0.0882","","","0.154","0.1678","","","","","","1.066","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057049","17.0234","0.0015","4.9886","0.0005","22.731","0.002","90","","109.651","0.005","90","","1818","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N5 O9 -","- C16 H13 N5 O9 -","- C64 H52 N20 O36 -","4","1","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.1107","0.0534","","","0.1259","0.1572","","","","","","1.006","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057050","7.2191","0.0007","10.8361","0.0008","11.388","0.0009","96.925","0.005","100.591","0.005","94.292","0.005","864.98","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N5 O8 -","- C15 H15 N5 O8 -","- C30 H30 N10 O16 -","2","1","","Tarai, Arup; Baruah, Jubaraj B.","Different self-assemblies and absorption‒emission properties of the picrate salts of aromatic amine or heterocycle linked oximes","New Journal of Chemistry","2018","42","6","4757","","10.1039/C7NJ04349J","","","0.71073","MoKα","","0.056","0.0452","","","0.1094","0.1165","","","","","","1.031","","","","has coordinates","230319","2020-10-21","18:00:00",""
"7057051","16.4079","0.0003","7.1838","0.0001","14.0179","0.0003","90","","111.458","0.002","90","","1537.78","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N6 O7 Pb -","- C12 H10 N6 O7 Pb -","- C48 H40 N24 O28 Pb4 -","4","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Mitoraj, Mariusz P.; Gurbanov, Atash V.; Zubkov, Fedor I.; Moosavifar, Maryam; Konyaeva, Irina A.; Kirillov, Alexander M.; Safin, Damir A.","Extended lead(ii) architectures engineered via tetrel bonding interactions","New Journal of Chemistry","2018","42","7","4959","","10.1039/C8NJ00525G","","","0.71073","MoKα","","0.0234","0.0182","","","0.0402","0.0407","","","","","","0.959","","","","has coordinates","230416","2020-10-21","18:00:00",""
"7057052","7.2696","0.0006","9.6656","0.0009","10.0853","0.0009","93.216","0.001","100.911","0.001","105.07","0.001","667.75","0.1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 N4 O2 Pb -","- C13 H12 N4 O2 Pb -","- C26 H24 N8 O4 Pb2 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Mitoraj, Mariusz P.; Gurbanov, Atash V.; Zubkov, Fedor I.; Moosavifar, Maryam; Konyaeva, Irina A.; Kirillov, Alexander M.; Safin, Damir A.","Extended lead(ii) architectures engineered via tetrel bonding interactions","New Journal of Chemistry","2018","42","7","4959","","10.1039/C8NJ00525G","","","0.71073","MoKα","","0.0364","0.034","","","0.0893","0.0912","","","","","","1.036","","","","has coordinates","230416","2020-10-21","18:00:00",""
"7057053","10.281","0.005","17.05","0.008","15.015","0.007","90","","106.77","0.03","90","","2520","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O7 Pb2 -","- C21 H24 N6 O7 Pb2 -","- C84 H96 N24 O28 Pb8 -","4","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Mitoraj, Mariusz P.; Gurbanov, Atash V.; Zubkov, Fedor I.; Moosavifar, Maryam; Konyaeva, Irina A.; Kirillov, Alexander M.; Safin, Damir A.","Extended lead(ii) architectures engineered via tetrel bonding interactions","New Journal of Chemistry","2018","42","7","4959","","10.1039/C8NJ00525G","","","0.71073","MoKα","","0.0403","0.0267","","","0.0625","0.0684","","","","","","1.055","","","","has coordinates","230416","2020-10-21","18:00:00",""
"7057054","25.62","0.003","8.762","0.002","11.862","0.004","90","","111.828","0.017","90","","2471.9","1.1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 N10 O13 Pb2 -","- C15 H16 N10 O13 Pb2 -","- C60 H64 N40 O52 Pb8 -","4","0.5","","Mahmoudi, Ghodrat; Zangrando, Ennio; Mitoraj, Mariusz P.; Gurbanov, Atash V.; Zubkov, Fedor I.; Moosavifar, Maryam; Konyaeva, Irina A.; Kirillov, Alexander M.; Safin, Damir A.","Extended lead(ii) architectures engineered via tetrel bonding interactions","New Journal of Chemistry","2018","42","7","4959","","10.1039/C8NJ00525G","","","0.71073","MoKα","","0.0713","0.0547","","","0.135","0.1451","","","","","","1.062","","","","has coordinates","230416","2020-10-21","18:00:00",""
"7057055","10.8222","0.001","13.3189","0.0012","16.9614","0.0016","90","","97.867","0.002","90","","2421.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl F6 N5 P Pd -","- C19 H19 Cl F6 N5 P Pd -","- C76 H76 Cl4 F24 N20 P4 Pd4 -","4","1","","Chen, Chao; Zheng, Qing; Ni, Shengliang; Wang, Hangxiang","Facile one-pot nanocatalysts encapsulation of palladium‒NHC complexes for aqueous Suzuki‒Miyaura couplings","New Journal of Chemistry","2018","42","6","4624","","10.1039/C7NJ04836J","","","0.71073","MoKα","","0.0613","0.0454","","","0.1251","0.1386","","","","","","1.084","","","","has coordinates","230313","2020-10-21","18:00:00",""
"7057056","9.5629","0.0005","26.8142","0.0009","10.2793","0.0004","90","","116.742","0.006","90","","2353.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl F6 N4 P Pd -","- C21 H18 Cl F6 N4 P Pd -","- C84 H72 Cl4 F24 N16 P4 Pd4 -","4","1","","Chen, Chao; Zheng, Qing; Ni, Shengliang; Wang, Hangxiang","Facile one-pot nanocatalysts encapsulation of palladium‒NHC complexes for aqueous Suzuki‒Miyaura couplings","New Journal of Chemistry","2018","42","6","4624","","10.1039/C7NJ04836J","","","0.71073","MoKα","","0.0533","0.0435","","","0.1034","0.1105","","","","","","1.045","","","","has coordinates","230313","2020-10-21","18:00:00",""
"7057057","8.2397","0.0011","13.5183","0.0013","21.343","0.002","90","","100.006","0.002","90","","2341.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl F6 N5 P Pd -","- C18 H19 Cl F6 N5 P Pd -","- C72 H76 Cl4 F24 N20 P4 Pd4 -","4","1","","Chen, Chao; Zheng, Qing; Ni, Shengliang; Wang, Hangxiang","Facile one-pot nanocatalysts encapsulation of palladium‒NHC complexes for aqueous Suzuki‒Miyaura couplings","New Journal of Chemistry","2018","42","6","4624","","10.1039/C7NJ04836J","","","0.71073","MoKα","","0.0755","0.0445","","","0.0981","0.1147","","","","","","1.057","","","","has coordinates,has disorder","230313","2020-10-21","18:00:00",""
"7057058","12.6526","0.0007","14.8338","0.0008","13.9646","0.0008","90","","104.762","0.006","90","","2534.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 Ni O6 Pb S -","- C24 H27 N3 Ni O6 Pb S -","- C96 H108 N12 Ni4 O24 Pb4 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands","New Journal of Chemistry","2018","42","8","6062","","10.1039/C7NJ05148D","","","0.71073","MoKα","","0.0859","0.0648","","","0.1379","0.1494","","","","","","1.032","","","","has coordinates","230239","2020-10-21","18:00:00",""
"7057059","10.5264","0.0006","11.3184","0.0006","12.5352","0.0008","86.021","0.005","71.617","0.005","85.853","0.004","1411.83","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H31 N3 Ni O8 Pb S2 -","- C24 H31 N3 Ni O8 Pb S2 -","- C48 H62 N6 Ni2 O16 Pb2 S4 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands","New Journal of Chemistry","2018","42","8","6062","","10.1039/C7NJ05148D","","","0.71073","MoKα","","0.052","0.0452","","","0.0948","0.0986","","","","","","1.051","","","","has coordinates","230239","2020-10-21","18:00:00",""
"7057060","9.8038","0.0008","11.9201","0.0011","12.8868","0.0008","95.767","0.006","104.841","0.006","111.721","0.008","1320","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H30 Cl N3 Ni O5 Pb S -","- C24 H30 Cl N3 Ni O5 Pb S -","- C48 H60 Cl2 N6 Ni2 O10 Pb2 S2 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands","New Journal of Chemistry","2018","42","8","6062","","10.1039/C7NJ05148D","","","0.71073","MoKα","","0.0893","0.0761","","","0.2061","0.2275","","","","","","0.921","","","","has coordinates","230239","2020-10-21","18:00:00",""
"7057061","14.76","0.003","12.3947","0.0015","14.3","0.003","90","","110.72","0.02","90","","2446.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 Cl2 N2 Ni O6 Pb -","- C21 H28 Cl2 N2 Ni O6 Pb -","- C84 H112 Cl8 N8 Ni4 O24 Pb4 -","4","0.5","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Non-covalent tetrel bonding interactions in hemidirectional lead(ii) complexes with nickel(ii)-salen type metalloligands","New Journal of Chemistry","2018","42","8","6062","","10.1039/C7NJ05148D","","","0.71073","MoKα","","0.1076","0.0758","","","0.157","0.1766","","","","","","1.061","","","","has coordinates,has disorder","230239","2020-10-21","18:00:00",""
"7057062","14.752","0.0005","8.8836","0.0004","16.476","0.0005","90","","90","","90","","2159.19","0.14","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Li2 Mg N6 O10 -","- C16 H18 Li2 Mg N6 O10 -","- C64 H72 Li8 Mg4 N24 O40 -","4","0.5","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0568","0.0399","","","0.0914","0.1007","","","","","","1.008","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057063","14.7495","0.0019","8.881","0.001","16.4433","0.0017","90","","90","","90","","2153.9","0.4","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H9 Co0.14 Li Mg0.36 N3 O5 -","- C8 H9 Co0.1425 Li Mg0.3575 N3 O5 -","- C64 H72 Co1.14 Li8 Mg2.86 N24 O40 -","8","1","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.1008","0.0555","","","0.1153","0.1386","","","","","","1.01","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057064","14.7194","0.0007","8.8624","0.0004","16.4634","0.0008","90","","90","","90","","2147.64","0.18","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H9 Co0.29 Li Mg0.21 N3 O5 -","- C8 H9 Co0.2875 Li Mg0.2125 N3 O5 -","- C64 H72 Co2.3 Li8 Mg1.7 N24 O40 -","8","1","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0899","0.0472","","","0.0782","0.0926","","","","","","1.009","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057065","14.7458","0.0004","8.8756","0.0003","16.4841","0.0006","90","","90","","90","","2157.4","0.12","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Co Li2 N6 O10 -","- C16 H18 Co Li2 N6 O10 -","- C64 H72 Co4 Li8 N24 O40 -","4","0.5","","Song, Ying; Tian, Chong-Bin; Wu, Zhao-Feng; Huang, Xiao-Ying","Mg1−xCoxLi2(3,5-pdcH)2(DMF)2 (x = 0, 0.285, 0.575, 1): a series of heterometallic coordination polymers doped with magnetic Co2+ ions","New Journal of Chemistry","2018","42","7","5096","","10.1039/C7NJ04823H","","","0.71073","MoKα","","0.0435","0.0321","","","0.0808","0.0893","","","","","","1.007","","","","has coordinates","230418","2020-10-21","18:00:00",""
"7057066","24.386","0.003","24.386","0.003","24.386","0.003","44.76","0.02","44.76","0.02","44.76","0.02","6541","3","293","2","293","2","","","","","","","","6","R -3 c :R","-P 3* 2n","167","","","","- C61 H70 Ag3 Cl3 N14 O13 -","- C61.02 H66 Ag3 Cl3 N14 O13 -","- C244.08 H264 Ag12 Cl12 N56 O52 -","4","0.333333","","Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.","Synthesis of cocrystals/salts of flucytosine: Structure and stability","New Journal of Chemistry","2018","42","7","5433","","10.1039/C7NJ04400C","","","0.71073","MoKα","","0.1002","0.0773","","0.2383","0.2122","","","","1.207","1.218","1.218","","","","","has coordinates,has disorder","230417","2020-10-21","18:00:00",""
"7057067","9.1192","0.0005","10.0601","0.0005","10.0983","0.0005","105.212","0.002","112.72","0.002","95.794","0.002","803.01","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Flucytosine/2,3-dihydroxybenzoic acid","","- C15 H14 F2 N6 O6 -","- C15 H14 F2 N6 O6 -","- C30 H28 F4 N12 O12 -","2","1","","Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.","Synthesis of cocrystals/salts of flucytosine: Structure and stability","New Journal of Chemistry","2018","42","7","5433","","10.1039/C7NJ04400C","","","1.54178","CuKα","","0.0692","0.0652","","","0.1901","0.201","","","","","","1.013","","","","has coordinates","230417","2020-10-21","18:00:00",""
"7057068","10.8713","0.0013","8.4914","0.001","14.4885","0.0018","90","","107.613","0.003","90","","1274.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","flucytosine/2,6-digydroxybenzoic acid","","- C11 H12 F N3 O6 -","- C11 H12 F N3 O6 -","- C44 H48 F4 N12 O24 -","4","1","","Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.","Synthesis of cocrystals/salts of flucytosine: Structure and stability","New Journal of Chemistry","2018","42","7","5433","","10.1039/C7NJ04400C","","","1.54178","CuKα","","0.0592","0.0563","","","0.1707","0.1775","","","","","","1.281","","","","has coordinates","230417","2020-10-21","18:00:00",""
"7057069","5.283","0.002","17.757","0.007","12.125","0.005","90","","95.183","0.012","90","","1132.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Flucytosine/Gallic acid","","- C11 H10 F N3 O6 -","- C11 H10 F N3 O6 -","- C44 H40 F4 N12 O24 -","4","1","","Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.","Synthesis of cocrystals/salts of flucytosine: Structure and stability","New Journal of Chemistry","2018","42","7","5433","","10.1039/C7NJ04400C","","","1.54178","CuKα","","0.0943","0.0564","","","0.1566","0.162","","","","","","1.181","","","","has coordinates","230417","2020-10-21","18:00:00",""
"7057070","7.298","0.003","13.507","0.004","15.536","0.005","109.39","0.008","92.328","0.007","103.472","0.007","1393.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Flucytosine/3,5-dihydroxybenzoic acid","","- C22 H20 F2 N6 O15 -","- C22 H20 F2 N6 O15 -","- C44 H40 F4 N12 O30 -","2","1","","Nechipadappu, Sunil Kumar; Ramachandran, Jeeshma; Shivalingegowda, Naveen; Lokanath, Neratur Krishnappagowda; Trivedi, Darshak R.","Synthesis of cocrystals/salts of flucytosine: Structure and stability","New Journal of Chemistry","2018","42","7","5433","","10.1039/C7NJ04400C","","","0.71073","MoKα","","0.1072","0.0919","","","0.3289","0.3544","","","","","","0.943","","","","has coordinates","230417","2020-10-21","18:00:00",""
"7057071","12.521","0.003","9.249","0.002","18.569","0.004","90","","90","","90","","2150.4","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br Co N2 O3 P2 -","- C16 H28 Br Co N2 O3 P2 -","- C64 H112 Br4 Co4 N8 O12 P8 -","4","1","","Cruz, Tiago F. C.; Machado, Pedro M. M.; Gomes, Clara S. B.; Ascenso, José R.; Lemos, M. Amélia N. D. A.; Bordado, João C.; Gomes, Pedro T.","Bis(formylpyrrolyl) cobalt complexes as mediators in the reversible-deactivation radical polymerization of styrene and methyl methacrylate","New Journal of Chemistry","2018","42","8","5900","","10.1039/C8NJ00350E","","x-ray","0.71073","MoKα","","0.0645","0.0382","","","0.0584","0.0625","","","","","","1.013","","","","has coordinates","230245","2020-10-21","18:00:00",""
"7057072","11.2435","0.0005","11.6245","0.0005","16.9612","0.0008","92.816","0.002","90.895","0.001","112.274","0.002","2047.53","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H48 B Cl2 Co N2 O2 P2 -","- C41 H48 B Cl2 Co N2 O2 P2 -","- C82 H96 B2 Cl4 Co2 N4 O4 P4 -","2","1","","Cruz, Tiago F. C.; Machado, Pedro M. M.; Gomes, Clara S. B.; Ascenso, José R.; Lemos, M. Amélia N. D. A.; Bordado, João C.; Gomes, Pedro T.","Bis(formylpyrrolyl) cobalt complexes as mediators in the reversible-deactivation radical polymerization of styrene and methyl methacrylate","New Journal of Chemistry","2018","42","8","5900","","10.1039/C8NJ00350E","","x-ray","0.71073","MoKα","","0.1005","0.0624","","","0.1403","0.1572","","","","","","0.954","","","","has coordinates","230245","2020-10-21","18:00:00",""
"7057073","20.429","0.008","12.23","0.005","10.184","0.004","90","","117.496","0.012","90","","2257","1.6","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 B Co F4 N2 O2 P2 -","- C16 H26 B Co F4 N2 O2 P2 -","- C64 H104 B4 Co4 F16 N8 O8 P8 -","4","0.5","","Cruz, Tiago F. C.; Machado, Pedro M. M.; Gomes, Clara S. B.; Ascenso, José R.; Lemos, M. Amélia N. D. A.; Bordado, João C.; Gomes, Pedro T.","Bis(formylpyrrolyl) cobalt complexes as mediators in the reversible-deactivation radical polymerization of styrene and methyl methacrylate","New Journal of Chemistry","2018","42","8","5900","","10.1039/C8NJ00350E","","x-ray","0.71073","MoKα","","0.0603","0.0543","","","0.1537","0.1617","","","","","","1.117","","","","has coordinates","230245","2020-10-21","18:00:00",""
"7057074","10.3943","0.0005","19.4103","0.0009","12.1847","0.0006","90","","95.169","0.004","90","","2448.3","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 O -","- C34 H32 O -","- C136 H128 O4 -","4","1","","Górski, Krzysztof; Mech-Piskorz, Justyna; Noworyta, Krzysztof; Leśniewska, Barbara; Pietraszkiewicz, Marek","Efficient synthesis of 5-oxatruxene and the unusual influence of oxygen heteroatom on its physico-chemical properties","New Journal of Chemistry","2018","42","8","5844","","10.1039/C7NJ04729K","","","1.54184","CuKα","","0.0361","0.0351","","","0.0884","0.0892","","","","","","1.007","","","","has coordinates","230249","2020-10-21","18:00:00",""
"7057075","14.1319","0.0004","12.1283","0.0004","52.278","0.003","90","","90","","90","","8960.2","0.6","100","0.2","100","0.2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C39 H42 -","- C39 H42 -","- C468 H504 -","12","3","","Górski, Krzysztof; Mech-Piskorz, Justyna; Noworyta, Krzysztof; Leśniewska, Barbara; Pietraszkiewicz, Marek","Efficient synthesis of 5-oxatruxene and the unusual influence of oxygen heteroatom on its physico-chemical properties","New Journal of Chemistry","2018","42","8","5844","","10.1039/C7NJ04729K","","","1.54184","CuKα","","0.0717","0.0622","","","0.1737","0.1848","","","","","","1.012","","","","has coordinates,has disorder","230249","2020-10-21","18:00:00",""
"7057076","19.6187","0.0009","12.5476","0.0006","25.9749","0.0012","90","","93.411","0.002","90","","6382.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H56 Cl8 N8 P2 Rh2 -","- C63 H56 Cl8 N8 P2 Rh2 -","- C252 H224 Cl32 N32 P8 Rh8 -","4","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Dinda, Soumitra; Patra, Sarat Chandra; Pramanik, Kausikisankar","Redox-active diaminoazobenzene complexes of rhodium(iii): synthesis, structure and spectroscopic characterization","New Journal of Chemistry","2018","42","7","5548","","10.1039/C7NJ04790H","","","0.71073","MoKα","","0.0857","0.0565","","","0.1521","0.1749","","","","","","1.077","","","","has coordinates","230425","2020-10-21","18:00:00",""
"7057077","10.8829","0.0009","12.4756","0.001","14.0207","0.0012","70.126","0.005","89.504","0.005","78.191","0.005","1748.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl6 N4 P Rh -","- C32 H30 Cl6 N4 P Rh -","- C64 H60 Cl12 N8 P2 Rh2 -","2","1","","Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Dinda, Soumitra; Patra, Sarat Chandra; Pramanik, Kausikisankar","Redox-active diaminoazobenzene complexes of rhodium(iii): synthesis, structure and spectroscopic characterization","New Journal of Chemistry","2018","42","7","5548","","10.1039/C7NJ04790H","","","0.71073","MoKα","","0.0819","0.048","","","0.1221","0.1376","","","","","","1.016","","","","has coordinates","230425","2020-10-21","18:00:00",""
"7057078","11.1039","0.0003","11.3734","0.0003","12.972","0.0004","67.466","0.002","72.869","0.002","84.364","0.002","1445.82","0.08","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 B F2 N5 O -","- C33 H36 B F2 N5 O -","- C66 H72 B2 F4 N10 O2 -","2","1","","Nguyen, Alex L.; Griffin, Kaitlin E.; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M. Graça H.","Syntheses of 1,2,3-triazole-BODIPYs bearing up to three carbohydrate units","New Journal of Chemistry","2018","42","10","8241","","10.1039/C8NJ00041G","","","0.71073","MoKα","","0.0966","0.0525","","","0.1125","0.129","","","","","","1.007","","","","has coordinates","230186","2020-10-21","18:00:00",""
"7057079","13.3965","0.0015","9.2534","0.001","17.1816","0.0019","90","","104.822","0.008","90","","2059","0.4","90","0.5","90","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 B F2 N5 O10 -","- C40 H48 B F2 N5 O10 -","- C80 H96 B2 F4 N10 O20 -","2","1","","Nguyen, Alex L.; Griffin, Kaitlin E.; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M. Graça H.","Syntheses of 1,2,3-triazole-BODIPYs bearing up to three carbohydrate units","New Journal of Chemistry","2018","42","10","8241","","10.1039/C8NJ00041G","","","1.54184","CuKα","","0.1409","0.0623","","","0.1054","0.1307","","","","","","0.959","","","","has coordinates","230186","2020-10-21","18:00:00",""
"7057080","7.695","0.003","7.92","0.003","10.362","0.003","96.36","0.03","99.93","0.03","91.11","0.03","617.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N2 O8 P2 -","- C8 H16 N2 O8 P2 -","- C16 H32 N4 O16 P4 -","2","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","1D Co(ii) coordination polymers based on cyclobutyl- and cyclopentyl-substituted zoledronate analogues: synthesis, structural comparison, thermal stability and magnetic properties","New Journal of Chemistry","2018","42","10","7830","","10.1039/C8NJ00118A","","","0.71073","MoKα","","0.0435","0.0404","","","0.1186","0.1209","","","","","","1.081","","","","has coordinates","230184","2020-10-21","18:00:00",""
"7057081","10.288","0.003","9.956","0.003","10.17","0.003","80.59","0.03","72.36","0.03","61.94","0.03","875.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H46 Co3 N4 O26 P4 -","- C16 H46 Co3 N4 O26 P4 -","- C16 H46 Co3 N4 O26 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","1D Co(ii) coordination polymers based on cyclobutyl- and cyclopentyl-substituted zoledronate analogues: synthesis, structural comparison, thermal stability and magnetic properties","New Journal of Chemistry","2018","42","10","7830","","10.1039/C8NJ00118A","","","0.71073","MoKα","","0.0586","0.0489","","","0.1319","0.1367","","","","","","1.001","","","","has coordinates,has disorder","230184","2020-10-21","18:00:00",""
"7057082","7.9658","0.0017","9.4269","0.0019","9.9867","0.0019","92.69","0.05","95.66","0.05","101.35","0.05","730","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Co3 N4 O20 P4 -","- C18 H38 Co3 N4 O20 P4 -","- C18 H38 Co3 N4 O20 P4 -","1","0.5","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","1D Co(ii) coordination polymers based on cyclobutyl- and cyclopentyl-substituted zoledronate analogues: synthesis, structural comparison, thermal stability and magnetic properties","New Journal of Chemistry","2018","42","10","7830","","10.1039/C8NJ00118A","","","0.71073","MoKα","","0.0533","0.0381","","","0.0842","0.0903","","","","","","1.037","","","","has coordinates","230184","2020-10-21","18:00:00",""
"7057083","6.895","0.002","16.818","0.006","14.457","0.006","90","","91.27","0.03","90","","1676","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H24 N2 O11 P2 -","- C9 H24 N2 O11 P2 -","- C36 H96 N8 O44 P8 -","4","1","","Rojek, Tomasz; Goldeman, Waldemar; Ślepokura, Katarzyna; Duczmal, Marek; Wojciechowska, Agnieszka; Matczak-Jon, Ewa","1D Co(ii) coordination polymers based on cyclobutyl- and cyclopentyl-substituted zoledronate analogues: synthesis, structural comparison, thermal stability and magnetic properties","New Journal of Chemistry","2018","42","10","7830","","10.1039/C8NJ00118A","","","1.5418","CuKα","","0.0653","0.0605","","","0.1628","0.1678","","","","","","1.052","","","","has coordinates","230184","2020-10-21","18:00:00",""
"7057084","10.9482","0.0007","11.7177","0.0007","11.9192","0.0007","90","","97.126","0.002","90","","1517.28","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H25 Ag4 Cd2 N10 O7 -","- C14 H25 Ag4 Cd2 N10 O7 -","- C28 H50 Ag8 Cd4 N20 O14 -","2","0.5","","Karadağ, Ahmet; Korkmaz, Nesrin; Aydın, Ali; Tekin, Şaban; Yanar, Yusuf; Yerli, Yusuf; Korkmaz, Şengül Aslan","In vitro biological properties and predicted DNA‒BSA interaction of three new dicyanidoargentate(i)-based complexes: synthesis and characterization","New Journal of Chemistry","2018","42","6","4679","","10.1039/C7NJ04796G","","","0.71073","MoKα","","0.0452","0.0445","","","0.136","0.1364","","","","","","1.069","","","","has coordinates","230310","2020-10-21","18:00:00",""
"7057085","15.8751","0.0006","15.8751","0.0006","31.9698","0.0014","90","","90","","120","","6977.6","0.5","130","2","130","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C36 H84 Co2 N12 O52 P W12 -","- C36 H84 Co2 N12 O52 P W12 -","- C108 H252 Co6 N36 O156 P3 W36 -","3","0.333333","","Shmakova, Alexandra A.; Akhmetova, Maria M.; Volchek, Victoria V.; Romanova, Tamara E.; Korolkov, Ilya; Sheven, Dmitri G.; Adonin, Sergey A.; Abramov, Pavel A.; Sokolov, Maxim N.","A HPLC-ICP-AES technique for the screening of [XW11NbO40]n− aqueous solutions","New Journal of Chemistry","2018","42","10","7940","","10.1039/C7NJ04702A","","x-ray","0.71073","MoKα","","0.0555","0.0502","","","0.1196","0.1247","","","","","","1.015","","","","has coordinates,has disorder","230187","2020-10-21","18:00:00",""
"7057086","12.6148","0.0008","14.6506","0.0007","19.8436","0.0012","90","","105.19","0.006","90","","3539.3","0.4","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N11 Ni2 O41 P W12 -","- C27 H33 N11 Ni2 O41 P W12 -","- C54 H66 N22 Ni4 O82 P2 W24 -","2","0.5","","Shmakova, Alexandra A.; Akhmetova, Maria M.; Volchek, Victoria V.; Romanova, Tamara E.; Korolkov, Ilya; Sheven, Dmitri G.; Adonin, Sergey A.; Abramov, Pavel A.; Sokolov, Maxim N.","A HPLC-ICP-AES technique for the screening of [XW11NbO40]n− aqueous solutions","New Journal of Chemistry","2018","42","10","7940","","10.1039/C7NJ04702A","","x-ray","0.71073","MoKα","","0.1289","0.0735","","","0.1623","0.1819","","","","","","1.062","","","","has coordinates,has disorder","230187","2020-10-21","18:00:00",""
"7057087","19.0694","0.0006","19.0694","0.0006","17.1332","0.0006","90","","90","","120","","5395.6","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C32 H50 Mo N2 O4 -","- C32 H50 Mo N2 O4 -","- C192 H300 Mo6 N12 O24 -","6","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0891","0.0521","","","0.1537","0.1827","","","","","","1.031","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7057088","15.164","0.002","12.8563","0.0018","10.6927","0.0014","90","","90.963","0.007","90","","2084.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Mo N2 O4 -","- C24 H22 Mo N2 O4 -","- C96 H88 Mo4 N8 O16 -","4","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0615","0.0352","","","0.0926","0.1228","","","","","","1.093","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7057089","12.1153","0.0011","10.9427","0.001","15.716","0.0014","90","","112.296","0.004","90","","1927.8","0.3","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Mo N2 O4 -","- C20 H26 Mo N2 O4 -","- C80 H104 Mo4 N8 O16 -","4","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0209","0.0196","","","0.0517","0.0524","","","","","","1.077","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7057090","12.9405","0.0004","14.038","0.0004","28.3268","0.001","90","","90","","90","","5145.8","0.3","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C26 H38 Mo N2 O4 -","- C26 H38 Mo N2 O4 -","- C208 H304 Mo8 N16 O32 -","8","1","","Maurya, Mannar R.; Mengesha, Bekele; Uprety, Bhawna; Jangra, Nancy; Tomar, Reshu; Avecilla, Fernando","Oxygen atom transfer between DMSO and benzoin catalyzed by cis-dioxidomolybdenum(vi) complexes of tetradentate Mannich bases","New Journal of Chemistry","2018","42","8","6225","","10.1039/C7NJ03551A","","","0.71073","MoKα","","0.0807","0.0367","","","0.0854","0.1059","","","","","","0.937","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7057091","13.3765","0.0011","15.2044","0.0012","19.531","0.0016","90","","90","","90","","3972.2","0.6","100","2","100","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C36 H37 Cl2 Mo N6 P S4 -","- C36 H37 Cl2 Mo N6 P S4 -","- C144 H148 Cl8 Mo4 N24 P4 S16 -","4","1","","Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi","Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer","New Journal of Chemistry","2018","42","7","5580","","10.1039/C8NJ00246K","","","0.71073","MoKα","","0.0693","0.0628","","","0.1689","0.1761","","","","","","1.104","","","","has coordinates","230427","2020-10-21","18:00:00",""
"7057092","20.059","0.005","9.487","0.005","15.979","0.005","90","0.005","120.919","0.005","90","0.005","2608.7","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Mo N6 S4 Si2 -","- C16 H18 Mo N6 S4 Si2 -","- C64 H72 Mo4 N24 S16 Si8 -","4","0.5","","Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi","Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer","New Journal of Chemistry","2018","42","7","5580","","10.1039/C8NJ00246K","","","0.71069","MoKα","","0.087","0.06","","","0.16","0.2479","","","","","","1.498","","","","has coordinates","230427","2020-10-21","18:00:00",""
"7057093","21.026","0.005","19.802","0.005","20.241","0.005","90","0.005","118.266","0.005","90","0.005","7423","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H60 Cl4 Mo2 N10 O P2 S8 -","- C69 H60 Cl4 Mo2 N10 O P2 S8 -","- C276 H240 Cl16 Mo8 N40 O4 P8 S32 -","4","1","","Bose, Moumita; Moula, Golam; Begum, Ameerunisha; Sarkar, Sabyasachi","Synthesis and characterization of cyano and isocyano complexes of bis(dithiolato) molybdenum using Me3SiCN: a route to a cyanide-bridged multimer to a monomer","New Journal of Chemistry","2018","42","7","5580","","10.1039/C8NJ00246K","","","0.71069","MoKα","","0.1247","0.0686","","","0.1684","0.2395","","","","","","1.005","","","","has coordinates","230427","2020-10-21","18:00:00",""
"7057094","11.835","0.003","6.6734","0.0011","12.462","0.002","90","","90","","90","","984.2","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H8 I N3 -","- C8 H8 I N3 -","- C32 H32 I4 N12 -","4","0.5","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0212","0.0197","","","0.048","0.0497","","","","","","1.128","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057095","19.387","0.003","30.384","0.005","8.6076","0.0015","90","","90","","90","","5070.3","1.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C11 H15 I N2 -","- C11 H15 I N2 -","- C176 H240 I16 N32 -","16","1","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0524","0.0371","","","0.0898","0.0995","","","","","","1.111","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057096","23.295","0.004","13.619","0.002","14.688","0.002","90","","101.934","0.008","90","","4559.1","1.2","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H30 I6 N12 -","- C36 H30 I6 N12 -","- C144 H120 I24 N48 -","4","1","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.0784","0.0418","","","0.0634","0.0713","","","","","","1.04","","","","has coordinates","230377","2020-10-21","18:00:00",""
"7057097","11.0353","0.0007","14.276","0.0009","14.2688","0.0009","90","","90","","90","","2247.9","0.2","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2-iodoethynylpyridine","","- C21 H12 I3 N3 -","- C21 H12 I3 N3 -","- C84 H48 I12 N12 -","4","0.5","","Szell, Patrick M. J.; Siiskonen, Antti; Catalano, Luca; Cavallo, Gabriella; Terraneo, Giancarlo; Priimagi, Arri; Bryce, David L.; Metrangolo, Pierangelo","Halogen-bond driven self-assembly of triangular macrocycles","New Journal of Chemistry","2018","42","13","10467","","10.1039/C8NJ00759D","","","0.71073","MoKα","","0.1234","0.1183","","","0.2951","0.297","","","","","","1.094","","","","has coordinates,has disorder","230377","2020-10-21","18:00:00",""
"7057098","13.733","0.003","17.259","0.004","16.297","0.003","90","","102.51","0.03","90","","3771","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H112 N4 O25 V6 -","- C64 H112 N4 O25 V6 -","- C128 H224 N8 O50 V12 -","2","0.5","","Huang, Bo; Wang, Nan; Yang, Kang; Ke, Degang; Fang, Yajun; Hu, Xunliang; Wu, Baolin; Xiao, Zicheng; Wu, Pingfan; Wei, Yongge","Stepwise syntheses and supramolecular assemblies of a series of polyoxovanadate hybrids with various architectures","New Journal of Chemistry","2018","42","8","5853","","10.1039/C7NJ04727D","","","0.71073","MoKα","","0.1439","0.061","","","0.1507","0.1939","","","","","","0.984","","","","has coordinates","230236","2020-10-21","18:00:00",""
"7057099","12.0059","0.0008","13.8979","0.0012","14.0548","0.0007","66.339","0.006","78.031","0.005","67.63","0.007","1982.2","0.3","107.2","","107.2","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H108 N4 O25 V6 -","- C70 H108 N4 O25 V6 -","- C70 H108 N4 O25 V6 -","1","0.5","","Huang, Bo; Wang, Nan; Yang, Kang; Ke, Degang; Fang, Yajun; Hu, Xunliang; Wu, Baolin; Xiao, Zicheng; Wu, Pingfan; Wei, Yongge","Stepwise syntheses and supramolecular assemblies of a series of polyoxovanadate hybrids with various architectures","New Journal of Chemistry","2018","42","8","5853","","10.1039/C7NJ04727D","","","0.7107","MoKα","","0.0769","0.0673","","","0.1571","0.1614","","","","","","1.175","","","","has coordinates,has disorder","230236","2020-10-21","18:00:00",""
"7057100","11.187","0.002","13.547","0.003","14.326","0.003","107.72","0.03","94.21","0.03","104.66","0.03","1973.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H116 N4 O25 V6 -","- C66 H116 N4 O25 V6 -","- C66 H116 N4 O25 V6 -","1","0.5","","Huang, Bo; Wang, Nan; Yang, Kang; Ke, Degang; Fang, Yajun; Hu, Xunliang; Wu, Baolin; Xiao, Zicheng; Wu, Pingfan; Wei, Yongge","Stepwise syntheses and supramolecular assemblies of a series of polyoxovanadate hybrids with various architectures","New Journal of Chemistry","2018","42","8","5853","","10.1039/C7NJ04727D","","","0.71073","MoKα","","0.122","0.0772","","","0.2246","0.2798","","","","","","1.031","","","","has coordinates,has disorder","230236","2020-10-21","18:00:00",""
"7057101","13.5838","0.0019","17.309","0.002","16.326","0.002","90","","101.95","0.002","90","","3755.4","0.8","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H108 N4 O25 V6 -","- C64 H108 N4 O25 V6 -","- C128 H216 N8 O50 V12 -","2","0.5","","Huang, Bo; Wang, Nan; Yang, Kang; Ke, Degang; Fang, Yajun; Hu, Xunliang; Wu, Baolin; Xiao, Zicheng; Wu, Pingfan; Wei, Yongge","Stepwise syntheses and supramolecular assemblies of a series of polyoxovanadate hybrids with various architectures","New Journal of Chemistry","2018","42","8","5853","","10.1039/C7NJ04727D","","","0.71073","MoKα","","0.1495","0.065","","","0.1617","0.2132","","","","","","1.017","","","","has coordinates","230236","2020-10-21","18:00:00",""
"7057102","13.677","0.0004","25.6111","0.0009","26.6282","0.0009","90","","93.512","0.002","90","","9309.9","0.5","90","0.5","90","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H33 Cu N4 O2 -","- C46 H33 Cu N4 O2 -","- C368 H264 Cu8 N32 O16 -","8","2","","Savoldelli, A.; Nardis, S.; Genovese, D.; Prodi, L.; Fronczek, F. R.; Smith, K. M.; Paolesse, R.","Moving corrole towards a red-record: synthesis of β-acrolein Ga and Cu corroles using the Vilsmeier reaction","New Journal of Chemistry","2018","42","10","8200","","10.1039/C7NJ04705C","","","1.54184","CuKα","","0.1042","0.071","","","0.1903","0.2179","","","","","","1.058","","","","has coordinates","230202","2020-10-21","18:00:00",""
"7057103","36.7663","0.0009","17.2278","0.0004","14.6878","0.0003","90","","101.431","0.001","90","","9118.7","0.4","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.7 H46.4 Cl1.4 Ga N4 O5 -","- C52 H45 Ga N4 O5 -","- C416 H360 Ga8 N32 O40 -","8","1","","Savoldelli, A.; Nardis, S.; Genovese, D.; Prodi, L.; Fronczek, F. R.; Smith, K. M.; Paolesse, R.","Moving corrole towards a red-record: synthesis of β-acrolein Ga and Cu corroles using the Vilsmeier reaction","New Journal of Chemistry","2018","42","10","8200","","10.1039/C7NJ04705C","","","0.71073","MoKα","","0.1004","0.0501","","","0.1043","0.1184","","","","","","1.034","","","","has coordinates,has disorder","230202","2020-10-21","18:00:00",""
"7057104","5.963","0.0002","23.1856","0.0008","10.0548","0.0004","90","","93.046","0.002","90","","1388.17","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N3 Se3 -","- C12 H9 N3 Se3 -","- C48 H36 N12 Se12 -","4","1","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0807","0.0513","","","0.0979","0.1066","","","","","","1.097","","","","has coordinates","230369","2020-10-21","18:00:00",""
"7057105","5.4173","0.0012","13.172","0.003","11.795","0.002","90","","97.451","0.014","90","","834.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 Se4 -","- C14 H10 N4 Se4 -","- C28 H20 N8 Se8 -","2","0.5","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0826","0.0439","","","0.101","0.1185","","","","","","0.914","","","","has coordinates","230369","2020-10-21","18:00:00",""
"7057106","18.8209","0.0009","10.1135","0.0005","17.9834","0.0007","90","","99.039","0.002","90","","3380.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N3 Se3 -","- C15 H15 N3 Se3 -","- C120 H120 N24 Se24 -","8","1","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0918","0.0381","","","0.0754","0.0991","","","","","","0.891","","","","has coordinates,has disorder","230369","2020-10-21","18:00:00",""
"7057107","5.9559","0.0005","10.0181","0.0008","17.6631","0.0013","79.153","0.003","82.977","0.003","84.524","0.003","1024.47","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N4 O Se3 -","- C18 H22 N4 O Se3 -","- C36 H44 N8 O2 Se6 -","2","1","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0364","0.0316","","","0.0694","0.0706","","","","","","1.198","","","","has coordinates","230369","2020-10-21","18:00:00",""
"7057108","9.224","0.005","9.382","0.005","9.591","0.005","108.086","0.015","116.283","0.014","102.687","0.015","642.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N6 O2 Se4 -","- C20 H24 N6 O2 Se4 -","- C20 H24 N6 O2 Se4 -","1","0.5","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0635","0.04","","","0.0808","0.0905","","","","","","1.118","","","","has coordinates","230369","2020-10-21","18:00:00",""
"7057109","18.5055","0.0017","10.3314","0.0009","23.327","0.002","90","","107.551","0.004","90","","4252.2","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N3 O2 Se3 -","- C19 H23 N3 O2 Se3 -","- C152 H184 N24 O16 Se24 -","8","1","","Jeannin, Olivier; Huynh, Huu-Tri; Riel, Asia Marie S.; Fourmigué, Marc","Chalcogen bonding interactions in organic selenocyanates: from cooperativity to chelation","New Journal of Chemistry","2018","42","13","10502","","10.1039/C8NJ00554K","","x-ray","0.71073","MoKα","","0.0485","0.0342","","","0.0741","0.0816","","","","","","1.06","","","","has coordinates,has disorder","230369","2020-10-21","18:00:00",""
"7057110","6.5759","0.0004","8.4895","0.0005","8.8346","0.0005","84.185","0.002","78.947","0.003","80.038","0.003","475.57","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 N4 Ni S4 -","- C14 H26 N4 Ni S4 -","- C14 H26 N4 Ni S4 -","1","0.5","","Gervas, Charles; Mlowe, Sixberth; Akerman, Matthew P.; Revaprasadu, Neerish","Phase pure Ni3S2 and NiS from bis(N′-ethyl-N-piperazinylcarbodithioato-S,S′)‒nickel(ii) via solvent thermolysis and aerosol assisted chemical vapour deposition","New Journal of Chemistry","2018","42","8","6203","","10.1039/C8NJ00092A","","","0.71073","MoKα","","0.019","0.0182","","","0.0468","0.0474","","","","","","1.04","","","","has coordinates","230238","2020-10-21","18:00:00",""
"7057111","9.7961","0.001","11.3348","0.0016","15.5663","0.0015","85.817","0.004","84.393","0.004","76.837","0.004","1672.7","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C33 H34.5 Cl1.5 N7 O6 -","- C33 H34.5 Cl1.5 N7 O6 -","- C66 H69 Cl3 N14 O12 -","2","2","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.0788","0.0566","","","0.1134","0.127","","","","","","1.078","","","","has coordinates,has disorder","230423","2020-10-21","18:00:00",""
"7057112","12.1835","0.0013","12.1835","0.0013","38.086","0.005","90","","90","","120","","4896","1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H66 Cd Cl2 N14 O8 -","- C66 H66 Cd Cl2 N14 O8 -","- C198 H198 Cd3 Cl6 N42 O24 -","3","0.166667","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.1003","0.0934","","","0.2668","0.2781","","","","","","1.107","","","","has coordinates","230423","2020-10-21","18:00:00",""
"7057113","13.094","0.003","13.094","0.003","37.435","0.01","90","","90","","120","","5558","2","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H66 Cd Cl2 N14 -","- C66 H66 Cd Cl2 N14 -","- C198 H198 Cd3 Cl6 N42 -","3","0.166667","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.0631","0.0506","","","0.1351","0.1418","","","","","","1.054","","","","has coordinates","230423","2020-10-21","18:00:00",""
"7057114","14.01","0.006","23.38","0.009","21.272","0.009","90","","96.13","0.04","90","","6928","5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H66 Cd2 Cl4 N14 -","- C66 H66 Cd2 Cl4 N14 -","- C264 H264 Cd8 Cl16 N56 -","4","1","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.2261","0.1173","","","0.3208","0.3844","","","","","","1.012","","","","has coordinates","230423","2020-10-21","18:00:00",""
"7057115","14.18","0.009","15.386","0.008","18.466","0.012","101.133","0.019","92.04","0.03","92.143","0.019","3946","4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H78 Cd2 N14 O8 -","- C74 H78 Cd2 N14 O8 -","- C148 H156 Cd4 N28 O16 -","2","1","","Zhang, Zongyao; Xu, Lijin; Cao, Rui","Structures and single crystal to single crystal transformations of cadmium frameworks using a flexible tripodal ligand","New Journal of Chemistry","2018","42","7","5593","","10.1039/C7NJ05125E","","","0.71073","MoKα","","0.1613","0.0708","","","0.1388","0.1684","","","","","","0.995","","","","has coordinates,has disorder","230423","2020-10-21","18:00:00",""
"7057116","6.0262","0.0012","13.512","0.003","14.157","0.003","90","","102.212","0.002","90","","1126.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.0648","0.0409","","","0.088","0.0929","","","","","","1.014","","","","has coordinates","230231","2020-10-21","18:00:00",""
"7057117","7.2231","0.001","6.7181","0.0009","22.977","0.003","90","","98.381","0.002","90","","1103.1","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.0431","0.0363","","","0.0977","0.1023","","","","","","1.072","","","","has coordinates","230231","2020-10-21","18:00:00",""
"7057118","7.77","0.0013","11.889","0.002","12.2","0.002","90","","94.181","0.002","90","","1124","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.0468","0.0373","","","0.0981","0.1036","","","","","","1.046","","","","has coordinates","230231","2020-10-21","18:00:00",""
"7057119","6.0262","0.0012","13.512","0.003","14.157","0.003","90","","102.212","0.002","90","","1126.7","0.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Takagi, Koji; Yamada, Yoshihiro; Fukuda, Ryoichi; Ehara, Masahiro; Takeuchi, Daisuke","ESIPT emission behavior of methoxy-substituted 2-hydroxyphenylbenzimidazole isomers","New Journal of Chemistry","2018","42","8","5923","","10.1039/C8NJ00455B","","","0.71073","MoKα","","0.0648","0.0409","","","0.088","0.0929","","","","","","1.014","","","","has coordinates","230250","2020-10-21","18:00:00",""
"7057120","7.2231","0.001","6.7181","0.0009","22.977","0.003","90","","98.381","0.002","90","","1103.1","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Takagi, Koji; Yamada, Yoshihiro; Fukuda, Ryoichi; Ehara, Masahiro; Takeuchi, Daisuke","ESIPT emission behavior of methoxy-substituted 2-hydroxyphenylbenzimidazole isomers","New Journal of Chemistry","2018","42","8","5923","","10.1039/C8NJ00455B","","","0.71073","MoKα","","0.0431","0.0363","","","0.0977","0.1023","","","","","","1.072","","","","has coordinates","230250","2020-10-21","18:00:00",""
"7057121","7.77","0.0013","11.889","0.002","12.2","0.002","90","","94.181","0.002","90","","1124","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Takagi, Koji; Yamada, Yoshihiro; Fukuda, Ryoichi; Ehara, Masahiro; Takeuchi, Daisuke","ESIPT emission behavior of methoxy-substituted 2-hydroxyphenylbenzimidazole isomers","New Journal of Chemistry","2018","42","8","5923","","10.1039/C8NJ00455B","","","0.71073","MoKα","","0.0468","0.0373","","","0.0981","0.1036","","","","","","1.046","","","","has coordinates","230250","2020-10-21","18:00:00",""
"7057122","12.5628","0.0006","12.207","0.0006","15.2026","0.0007","90","","93","0.001","90","","2328.19","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Bi2 I10 N4 -","- C28 H36 Bi2 I10 N4 -","- C56 H72 Bi4 I20 N8 -","2","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0334","0.0237","","","0.0478","0.0507","","","","","","1.014","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7057123","12.2018","0.0004","13.4499","0.0004","16.2572","0.0005","90","","90","","90","","2668.02","0.14","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C17 H24 Bi I5 N2 -","- C17 H24 Bi I5 N2 -","- C68 H96 Bi4 I20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0454","0.0425","","","0.1137","0.1149","","","","","","1.387","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7057124","16.8086","0.0009","12.0003","0.0006","17.7036","0.0009","90","","107.294","0.002","90","","3409.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Bi4 I16 N4 -","- C34 H48 Bi4 I16 N4 -","- C68 H96 Bi8 I32 N8 -","2","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0563","0.0349","","","0.0623","0.0678","","","","","","1.008","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7057125","12.6544","0.0016","12.2914","0.0015","15.3829","0.0019","90","","92.656","0.004","90","","2390.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Bi2 I10 N4 -","- C28 H36 Bi2 I10 N4 -","- C56 H72 Bi4 I20 N8 -","2","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0455","0.0297","","","0.0652","0.0714","","","","","","1.077","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7057126","12.5792","0.0004","12.2266","0.0004","15.2453","0.0005","90","","92.953","0.001","90","","2341.63","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Bi2 I10 N4 -","- C28 H36 Bi2 I10 N4 -","- C56 H72 Bi4 I20 N8 -","2","0.5","","Kotov, Vitalii Yu.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Smol’yakov, Alexander F.; Kozyukhin, Sergey A.","Black hybrid iodobismuthate containing linear anionic chains","New Journal of Chemistry","2018","42","8","6354","","10.1039/C7NJ04948J","","","0.71073","MoKα","","0.0375","0.0248","","","0.0471","0.0509","","","","","","1.016","","","","has coordinates","230234","2020-10-21","18:00:00",""
"7057127","14.6287","0.0009","4.8391","0.0003","26.5329","0.0017","90","","96.637","0.004","90","","1865.7","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N6 O S2 -","- C15 H22 N6 O S2 -","- C60 H88 N24 O4 S8 -","4","1","","Purkait, Rakesh; Maity, Suvendu; Sinha, Chittaranjan","A hydrazine-based thiocarbamide probe for colorimetric and turn-on fluorometric detection of PO43− and AsO33− in semi-aqueous medium","New Journal of Chemistry","2018","42","8","6236","","10.1039/C7NJ04533F","","","0.71073","MoKα","","0.1811","0.1022","","","0.2472","0.2895","","","","","","1.144","","","","has coordinates","230235","2020-10-21","18:00:00",""
"7057128","10.7931","0.0002","26.2307","0.0005","11.9127","0.0002","90","","106.695","0.001","90","","3230.45","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32 Cl Cu2 N5 O9 -","- C29 H32 Cl Cu2 N5 O9.057 -","- C116 H128 Cl4 Cu8 N20 O36.228 -","4","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.0595","0.043","","","0.1202","0.1339","","","","","","1.172","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057129","11.1835","0.0003","15.4275","0.0004","20.3944","0.0005","90","","101.173","0.002","90","","3452.02","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl Cu2 N5 O11 -","- C32 H40 Cl Cu2 N5 O11 -","- C128 H160 Cl4 Cu8 N20 O44 -","4","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.0791","0.0488","","","0.1405","0.164","","","","","","1.012","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057130","10.4384","0.0009","11.4113","0.001","15.062","0.0014","76.527","0.005","79.072","0.004","77.323","0.004","1684","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 N7 Ni2 O4 S2 -","- C32 H37 N7 Ni2 O4 S2 -","- C64 H74 N14 Ni4 O8 S4 -","2","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.0411","0.0359","","","0.1087","0.1144","","","","","","1.088","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057131","11.5055","0.0002","13.2976","0.0002","13.8302","0.0004","88.112","0.001","71.851","0.001","64.975","0.001","1809.89","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H35 N9 Ni2 O12 S -","- C30 H35 N9 Ni2 O12 S -","- C60 H70 N18 Ni4 O24 S2 -","2","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.0619","0.0367","","","0.0798","0.0904","","","","","","1.005","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057132","15.3234","0.0004","15.4364","0.0004","15.7415","0.0003","83.393","0.002","78.868","0.002","85.688","0.002","3623.78","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H76 Cl2 Cu N16 Ni4 O20 -","- C64 H76 Cl2 Cu N16 Ni4 O20 -","- C128 H152 Cl4 Cu2 N32 Ni8 O40 -","2","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.1389","0.068","","","0.1664","0.2103","","","","","","1.05","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057133","10.6851","0.0016","19.094","0.003","19.263","0.003","103.316","0.007","101.779","0.007","94.381","0.007","3712.3","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Mn2 N11 O12 -","- C31 H38 Mn2 N11 O12 -","- C124 H152 Mn8 N44 O48 -","4","2","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.3134","0.0891","","","0.193","0.3224","","","","","","0.974","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057134","11.971","0.0003","17.2506","0.0004","32.9419","0.0007","90","","90","","90","","6802.7","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H68 Cl N13 Ni4 O22 -","- C58 H68 Cl N13 Ni4 O22 -","- C232 H272 Cl4 N52 Ni16 O88 -","4","0.5","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.1331","0.0618","","","0.155","0.1936","","","","","","1.019","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057135","10.5528","0.0004","10.6347","0.0004","18.9784","0.0006","86.458","0.001","76.235","0.001","63.588","0.001","1850.39","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Mn2 N9 O13 -","- C33 H38 Mn2 N9 O13 -","- C66 H76 Mn4 N18 O26 -","2","1","","Pramanik, Koushik; Malpaharia, Pijush; Colacio, Enrique; Das, Babulal; Chandra, Swapan K.","Octadentate flexible ligands as a platform for a variety of homo and heterometallic complexes containing diphenoxido and phenoxido/azido bridging groups: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","8","6332","","10.1039/C7NJ05112C","","","0.71073","MoKα","","0.0602","0.0454","","","0.1413","0.1527","","","","","","1.264","","","","has coordinates","230232","2020-10-21","18:00:00",""
"7057136","12.3508","0.0004","12.3508","0.0004","22.9876","0.0011","90","","90","","120","","3036.8","0.2","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C17 H18 Cl N O2 Pd Te -","- C17 H18 Cl N O2 Pd Te -","- C102 H108 Cl6 N6 O12 Pd6 Te6 -","6","1","","Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J.","Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands","New Journal of Chemistry","2018","42","8","6264","","10.1039/C8NJ00727F","","","0.71073","MoKα","","0.0598","0.0436","","","0.0777","0.0828","","","","","","0.954","","","","has coordinates","230246","2020-10-21","18:00:00",""
"7057137","13.836","0.003","16.505","0.003","20.607","0.004","90","","90","","90","","4705.9","1.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl N O2 Pd Te -","- C23 H22 Cl N O2 Pd Te -","- C184 H176 Cl8 N8 O16 Pd8 Te8 -","8","2","","Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J.","Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands","New Journal of Chemistry","2018","42","8","6264","","10.1039/C8NJ00727F","","","1.54178","CuKα","","0.1137","0.0785","","","0.1724","0.1952","","","","","","0.993","","","","has coordinates,has disorder","230246","2020-10-21","18:00:00",""
"7057138","10.4959","0.0003","9.9047","0.0003","23.1897","0.0006","90","","106.365","0.002","90","","2313.1","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-imidazol-4-yl)ethyliminomethyl]-5-methylphenol","","- C13 H15 N3 O -","- C13 H15 N3 O -","- C104 H120 N24 O8 -","8","2","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0443","","","","0.1123","","","","","","1.028","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057139","7.904","0.0002","10.5709","0.0003","20.3219","0.0006","90","","90","","90","","1697.94","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(9-ethylcarbazol-3-yliminomethyl)-5-methylphenol","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0334","","","","0.0882","","","","","","1.052","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057140","6.0722","0.0003","8.3073","0.0003","14.1215","0.0006","98.482","0.002","96.914","0.002","94.487","0.002","696.07","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[(2-indol-3-yl-ethyl)iminomethyl]-5-methylphenol","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0432","","","","0.1221","","","","","","1.072","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057141","21.079","0.003","4.4677","0.0005","10.0801","0.0012","90","","90","","90","","949.3","0.2","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-methyl-2-(1,2,4-triazol-3-yliminomethyl)phenol","","- C10 H10 N4 O -","- C10 H10 N4 O -","- C40 H40 N16 O4 -","4","1","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0427","","","","0.108","","","","","","1.12","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057142","7.3079","0.0005","11.7966","0.0008","15.5593","0.0011","89.413","0.004","77.258","0.003","80.098","0.004","1288.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[2-(4-hydroxyphenyl)ethyliminomethyl]-5-methylphenol","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0547","","","","0.1629","","","","","","1.086","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057143","11.8594","0.0006","13.3077","0.0007","15.7675","0.0008","105.058","0.004","101.304","0.004","96.287","0.004","2322.3","0.2","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C48.5 H59 Cl N11 -","- C48.5 H59 Cl N11 -","- C97 H118 Cl2 N22 -","2","1","","Driowya, Mohsine; Allouchi, Hassan; Gally, José Manuel; Bonnet, Pascal; Guillaumet, Gérald","Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction","New Journal of Chemistry","2018","42","8","5728","","10.1039/C7NJ05088G","","","0.71073","MoKα","","0.1634","0.0924","","","0.2518","0.3208","","","","","","1.026","","","","has coordinates","230240","2020-10-21","18:00:00",""
"7057144","24.6041","0.0016","6.049","0.0007","31.305","0.003","90","","92.106","0.006","90","","4656","0.8","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H62 N11 -","- C50 H62 N11 -","- C200 H248 N44 -","4","1","","Driowya, Mohsine; Allouchi, Hassan; Gally, José Manuel; Bonnet, Pascal; Guillaumet, Gérald","Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction","New Journal of Chemistry","2018","42","8","5728","","10.1039/C7NJ05088G","","","0.71073","MoKα","","0.1463","0.0731","","","0.1666","0.2154","","","","","","0.993","","","","has coordinates","230240","2020-10-21","18:00:00",""
"7057145","11.2374","0.0003","6.78252","0.00013","18.7482","0.0004","90","","91.4013","0.0019","90","","1428.52","0.06","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H31 Cd N5 O5 -","- C29 H24 Cd N5 O5 -","- C58 H48 Cd2 N10 O10 -","2","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.0338","0.026","","","0.0609","0.0641","","","","","","1.101","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057146","11.4594","0.0003","6.5882","0.0002","18.3365","0.0005","90","","92.145","0.003","90","","1383.38","0.07","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H31 Co N5 O5 -","- C29 H24 Co N5 O5 -","- C58 H48 Co2 N10 O10 -","2","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.0526","0.0404","","","0.1032","0.1094","","","","","","1.084","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057147","8.688","0.0004","14.6001","0.0006","23.4501","0.0011","90","","90","","90","","2974.5","0.2","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 N4 O4 Zn -","- C28 H24 N4 O4 Zn -","- C112 H96 N16 O16 Zn4 -","4","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.1037","0.0805","","","0.2273","0.2496","","","","","","1.063","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057148","11.5569","0.0008","6.851","0.0005","17.499","0.0009","90","","92.086","0.007","90","","1384.59","0.16","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C29 H31 N5 O5 Zn -","- C29 H24 N5 O5 Zn -","- C58 H48 N10 O10 Zn2 -","2","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.0884","0.0654","","","0.1802","0.1969","","","","","","1.077","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057149","8.7112","0.0007","14.5251","0.0018","23.5166","0.0018","90","","90","","90","","2975.6","0.5","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H28 Co N4 O4 -","- C28 H24 Co N4 O4 -","- C112 H96 Co4 N16 O16 -","4","0.5","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.1512","0.1377","","","0.3542","0.3638","","","","","","1.2","","","","has coordinates,has disorder","230233","2020-10-21","18:00:00",""
"7057150","8.8758","0.0002","24.0175","0.0007","28.4657","0.0009","90","","90","","90","","6068.2","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H63 Cd2 N9 O9 -","- C59 H63 Cd2 N9 O9 -","- C236 H252 Cd8 N36 O36 -","4","1","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.0875","0.0768","","","0.1875","0.1932","","","","","","1.085","","","","has coordinates","230233","2020-10-21","18:00:00",""
"7057151","11.469","0.007","21.21","0.012","21.144","0.012","90","","101.134","0.011","90","","5047","5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Dy2 Mn2 N5 O24 -","- C40 H46 Dy2 Mn2 N5 O24 -","- C160 H184 Dy8 Mn8 N20 O96 -","4","0.5","","Lan, Tian-Xiang; Gao, Wei-Song; Chen, Chang-Neng; Wang, Hui-Sheng; Wang, Mei; Fan, Yu-hua","Two tetranuclear 3d‒4f heterometal complexes Mn2Ln2 (Ln = Dy, Gd): synthesis, structure, magnetism, and electrocatalytic reactivity for water oxidation","New Journal of Chemistry","2018","42","8","5798","","10.1039/C8NJ00149A","","","0.71073","MoKα","","","0.062","","","0.1428","0.158","","","","","","1.091","","","","has coordinates","230247","2020-10-21","18:00:00",""
"7057152","11.52","0.005","21.297","0.008","21.084","0.011","90","","101.118","0.006","90","","5076","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Gd2 Mn2 N5 O24 -","- C40 H46 Gd2 Mn2 N5 O24 -","- C160 H184 Gd8 Mn8 N20 O96 -","4","0.5","","Lan, Tian-Xiang; Gao, Wei-Song; Chen, Chang-Neng; Wang, Hui-Sheng; Wang, Mei; Fan, Yu-hua","Two tetranuclear 3d‒4f heterometal complexes Mn2Ln2 (Ln = Dy, Gd): synthesis, structure, magnetism, and electrocatalytic reactivity for water oxidation","New Journal of Chemistry","2018","42","8","5798","","10.1039/C8NJ00149A","","","0.71073","MoKα","","","0.0487","","","0.1243","0.1361","","","","","","1.092","","","","has coordinates","230247","2020-10-21","18:00:00",""
"7057153","10.0222","0.0008","13.1554","0.0011","10.969","0.0009","90","","114.37","0.01","90","","1317.4","0.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl F I N Se -","- C11 H8 Cl F I N Se -","- C44 H32 Cl4 F4 I4 N4 Se4 -","4","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71069","MoKα","","0.0388","0.0292","","","0.0716","0.0757","","","","","","1.009","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057154","7.4933","0.0004","8.9402","0.0004","15.2924","0.0007","100.16","0.01","103.82","0.01","99.47","0.01","956.04","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 Cl4 N Se2 -","- C17 H13 Cl4 N Se2 -","- C34 H26 Cl8 N2 Se4 -","2","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0333","0.026","","","0.0669","0.0689","","","","","","1.017","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057155","31.346","0.006","40.527","0.008","5.7826","0.0012","90","","90","","90","","7346","3","294","2","294","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H13 Br2 N Se2 -","- C17 H13 Br2 N Se2 -","- C272 H208 Br32 N16 Se32 -","16","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0419","0.0331","","","0.0676","0.0709","","","","","","1.028","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057156","7.8181","0.0016","9.764","0.002","10.419","0.002","104.07","0.03","107.51","0.03","103","0.03","696.5","0.4","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Br Cl I N Se -","- C11 H8 Br Cl I N Se -","- C22 H16 Br2 Cl2 I2 N2 Se2 -","2","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0403","0.0327","","","0.082","0.0866","","","","","","1.048","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057157","7.5865","0.0015","10.754","0.002","11.459","0.002","85.98","0.03","75.81","0.03","74.76","0.03","874.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 I2 N2 Se4 -","- C34 H26 I2 N2 Se4 -","- C34 H26 I2 N2 Se4 -","1","0.5","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0598","0.0371","","","0.0953","0.1041","","","","","","1.044","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057158","7.9441","0.0016","9.882","0.002","10.709","0.002","103.25","0.03","108.38","0.03","103.88","0.03","730.9","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl I2 N Se -","- C11 H8 Cl I2 N Se -","- C22 H16 Cl2 I4 N2 Se2 -","2","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0459","0.0345","","","0.091","0.0945","","","","","","1.054","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057159","14.0396","0.0003","18.3594","0.0005","5.76067","0.00013","90","","90","","90","","1484.86","0.06","119.98","0.11","119.98","0.11","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H13 N Se2 -","- C17 H13 N Se2 -","- C68 H52 N4 Se8 -","4","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","x-ray","1.54184","CuKα","","0.015","0.0147","","","0.0379","0.0381","","","","","","1.057","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057160","10.26","0.002","13.1618","0.0004","10.964","0.009","90","","115.19","0.07","90","","1339.8","1.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl1.27 F0.32 I1.41 N Se -","- C11 H8 Cl1.27 F0.32 I1.41 N Se -","- C44 H32 Cl5.08 F1.28 I5.64 N4 Se4 -","4","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","x-ray","1.54184","CuKα","","0.0609","0.0601","","","0.1575","0.1586","","","","","","1.104","","","","has coordinates,has disorder","230383","2020-10-21","18:00:00",""
"7057161","11.7709","0.0003","12.4525","0.0003","18.3447","0.0004","90","","96.2291","0.0019","90","","2673.04","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl2 I3 N2 Se2 -","- C22 H17 Cl2 I3 N2 Se2 -","- C88 H68 Cl8 I12 N8 Se8 -","4","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","x-ray","1.54184","CuKα","","0.0287","0.0277","","","0.0972","0.0988","","","","","","0.863","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057162","7.336","0.0004","9.7341","0.0005","10.2629","0.0005","104.09","0.01","107.27","0.01","102.43","0.01","645.24","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl2 I N Se -","- C11 H8 Cl2 I N Se -","- C22 H16 Cl4 I2 N2 Se2 -","2","1","","Montis, Riccardo; Arca, Massimiliano; Aragoni, M. Carla; Blake, Alexander J.; Castellano, Carlo; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Lenardão, Eder J.; Perin, Gelson; O'Connor, Alice E.; Thurow, Samuel","Structural diversity in the products formed by the reactions of 2-arylselanyl pyridine derivatives and dihalogens","New Journal of Chemistry","2018","42","13","10592","","10.1039/C8NJ00495A","","","0.71073","MoKα","","0.0301","0.0261","","","0.0783","0.082","","","","","","1.055","","","","has coordinates","230383","2020-10-21","18:00:00",""
"7057163","4.7508","0.0004","28.73","0.002","6.563","0.0005","90","","92.119","0.005","90","","895.17","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-iodoethynylbenzoic acid","3-(iodoethynyl)benzoic acid","","- C9 H5 I O2 -","- C9 H5 I O2 -","- C36 H20 I4 O8 -","4","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.0478","0.033","","","0.0752","0.0832","","","","","","1.031","","","","has coordinates","230376","2020-10-21","18:00:00",""
"7057164","16.7005","0.0008","8.0961","0.0004","8.3096","0.0004","90","","90.243","0.003","90","","1123.52","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3-iodoethynylbenzoate)2(piperidinium)","","- C11 H10 I N O2 -","- C11 H10 I N O2 -","- C44 H40 I4 N4 O8 -","4","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.0573","0.0338","","","0.0729","0.0814","","","","","","1.039","","","","has coordinates","230376","2020-10-21","18:00:00",""
"7057165","17.5218","0.0008","6.5563","0.0003","27.7452","0.0012","90","","107.586","0.003","90","","3038.4","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(3-iodoethynylbenzoic acid)(DABCO)","(3-iodoethynylbenzoic acid)(1,4-diazabicyclo[2.2.2]octane)","","- C15 H17 I N2 O2 -","- C15 H17 I N2 O2 -","- C120 H136 I8 N16 O16 -","8","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.0987","0.0441","","","0.1013","0.1265","","","","","","1.07","","","","has coordinates","230376","2020-10-21","18:00:00",""
"7057166","7.7194","0.0006","9.1772","0.001","19.1992","0.0015","83.624","0.001","88.739","0.001","70.977","0.001","1277.7","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","(3-(iodoethynylpyridine)(2,3,5,6-tetramethylpyrazine)","","- C26 H22 I2 N2 O4 -","- C26 H22 I2 N2 O4 -","- C52 H44 I4 N4 O8 -","2","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.045","0.0302","","","0.0584","0.0639","","","","","","0.988","","","","has coordinates,has disorder","230376","2020-10-21","18:00:00",""
"7057167","14.465","0.005","16.493","0.005","6.958","0.002","90","","101.304","0.004","90","","1627.8","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-iodoethynylbenzoic acid)(urotropin)","(3-iodoethynylbenzoic acid)(hexamethylenetetramine)","","- C15 H17 I N4 O2 -","- C15 H17 I N4 O2 -","- C60 H68 I4 N16 O8 -","4","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.1813","0.0845","","","0.1783","0.2343","","","","","","1.012","","","","has coordinates","230376","2020-10-21","18:00:00",""
"7057168","15.272","0.0004","6.6017","0.0002","28.5827","0.0009","90","","104.971","0.001","90","","2783.93","0.14","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(3-iodoethynylbenzoic acid)(piperazine)","(3-iodoethynylbenzoate)(piperazinium)","","- C13 H15 I N2 O2 -","- C13 H15 I N2 O2 -","- C104 H120 I8 N16 O16 -","8","1","","Szell, Patrick M. J.; Dragon, Julien; Zablotny, Scott; Harrigan, Stephen R.; Gabidullin, Bulat; Bryce, David L.","Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding","New Journal of Chemistry","2018","42","13","10493","","10.1039/C8NJ00437D","","","0.71073","MoKα","","0.0355","0.0274","","","0.0546","0.0568","","","","","","1.361","","","","has coordinates","230376","2020-10-21","18:00:00",""
"7057169","7.634","0.006","11.179","0.011","15.757","0.013","75.93","0.06","79.26","0.05","70.09","0.04","1218.5","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 I2 N2 O2 Se -","- C23 H25 I2 N2 O2 Se -","- C46 H50 I4 N4 O4 Se2 -","2","1","","Konidaris, Konstantis F.; Pilati, Tullio; Terraneo, Giancarlo; Politzer, Peter; Murray, Jane S.; Scilabra, Patrick; Resnati, Giuseppe","Cyanine dyes: synergistic action of hydrogen, halogen and chalcogen bonds allows discrete I42− anions in crystals","New Journal of Chemistry","2018","42","13","10463","","10.1039/C8NJ00421H","","","0.71073","MoKα","","0.1043","0.0491","","","0.0982","0.1171","","","","","","0.908","","","","has coordinates","230395","2020-10-21","18:00:00",""
"7057170","8.008","0.007","11.38","0.009","17.301","0.013","74.32","0.03","86.43","0.02","70.07","0.02","1426","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H66 Cl2 N4 O8 S2 Se2 -","- C61 H66 Cl2 N4 O8 S2 Se2 -","- C61 H66 Cl2 N4 O8 S2 Se2 -","1","0.5","","Konidaris, Konstantis F.; Pilati, Tullio; Terraneo, Giancarlo; Politzer, Peter; Murray, Jane S.; Scilabra, Patrick; Resnati, Giuseppe","Cyanine dyes: synergistic action of hydrogen, halogen and chalcogen bonds allows discrete I42− anions in crystals","New Journal of Chemistry","2018","42","13","10463","","10.1039/C8NJ00421H","","","0.71073","MoKα","","0.1201","0.0595","","","0.1184","0.1425","","","","","","1.009","","","","has coordinates,has disorder","230395","2020-10-21","18:00:00",""
"7057171","8.995","0.004","10.477","0.005","12.64","0.006","77.854","0.006","86.226","0.006","86.282","0.006","1160.4","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 N5 O4 Si -","- C27 H39 N5 O4 Si -","- C54 H78 N10 O8 Si2 -","2","1","","Singh, Gurjaspreet; Girdhar, Shally; Singh, Akshpreet; Saroa, Amandeep; Lakhi, Jaspreet Singh; Khullar, Sadhika; Mandal, Sanjay K.","Selective mercury ion recognition using a methyl red (MR) based silatrane sensor","New Journal of Chemistry","2018","42","8","6315","","10.1039/C8NJ00728D","","","0.71073","MoKα","","0.1298","0.0716","","","0.1612","0.1888","","","","","","1.097","","","","has coordinates","230244","2020-10-21","18:00:00",""
"7057172","12.5212","0.0009","10.3722","0.0006","13.4774","0.0008","90","","111.045","0.007","90","","1633.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Cd N4 O4 -","- C17 H9 Cd N4 O4 -","- C68 H36 Cd4 N16 O16 -","4","1","","Zhang, Jian; Zhao, Lili; Liu, Yinxia; Li, Mingyue; Li, Gang; Meng, Xiangru","Two luminescent transition-metal‒organic frameworks with a predesigned ligand as highly sensitive and selective iron(iii) sensors","New Journal of Chemistry","2018","42","9","6839","","10.1039/C8NJ00656C","","","0.71073","MoKα","","0.0369","0.028","","","0.0663","0.0716","","","","","","1.075","","","","has coordinates","230444","2020-10-21","18:00:00",""
"7057173","11.4202","0.0011","14.1684","0.0015","13.0538","0.0013","90","","90","","90","","2112.2","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H12 N5 O4 Zn -","- C22 H12 N5 O4 Zn -","- C88 H48 N20 O16 Zn4 -","4","0.5","","Zhang, Jian; Zhao, Lili; Liu, Yinxia; Li, Mingyue; Li, Gang; Meng, Xiangru","Two luminescent transition-metal‒organic frameworks with a predesigned ligand as highly sensitive and selective iron(iii) sensors","New Journal of Chemistry","2018","42","9","6839","","10.1039/C8NJ00656C","","","0.71073","MoKα","","0.0414","0.0372","","","0.0957","0.101","","","","","","1.059","","","","has coordinates,has disorder","230444","2020-10-21","18:00:00",""
"7057174","10.3964","0.0005","10.8708","0.0005","17.519","0.0007","90","","90","","90","","1979.95","0.15","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Bouzayani, Nadia; Marque, Sylvain; Djelassi, Brahim; Kacem, Yakdhane; Marrot, Jérôme; Ben Hassine, Béchir","Enantiopure Schiff bases of amino acid phenylhydrazides: impact of the hydrazide function on their structures and properties","New Journal of Chemistry","2018","42","8","6389","","10.1039/C7NJ04597B","","","0.71073","MoKα","","0.0398","0.0345","","","0.087","0.0903","","","","","","1.048","","","","has coordinates","230248","2020-10-21","18:00:00",""
"7057175","21.755","0.004","11.303","0.002","16.615","0.003","90","","90","","90","","4085.6","1.3","273.5","","273.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","M201NH","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","1","","Kaewnok, Nirawit; Petdum, Anuwut; Sirirak, Jitnapa; Charoenpanich, Adisri; Panchan, Waraporn; Sahasithiwat, Somboon; Sooksimuang, Thanasat; Wanichacheva, Nantanit","Novel Cu2±specific “Turn-ON” fluorescent probe based on [5]helicene with very large Stokes shift and its potential application in living cells","New Journal of Chemistry","2018","42","7","5540","","10.1039/C7NJ05176J","","","1.54178","CuKα","","0.054","0.0429","","","0.1144","0.1234","","","","","","1.0462","","","","has coordinates","230421","2020-10-21","18:00:00",""
"7057176","22.728","0.006","7.4934","0.0018","21.408","0.006","90","","90.113","0.011","90","","3646","1.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H32 N4 S4 -","- C45 H32 N4 S4 -","- C180 H128 N16 S16 -","4","0.5","","Li, Tao; Zhu, Wei; Shen, Rui; Wang, Hui-Ying; Chen, Wei; Hao, Si-Jia; Li, Yunxing; Gu, Zhi-Guo; Li, Zaijun","Three-dimensional conductive porous organic polymers based on tetrahedral polythiophene for high-performance supercapacitors","New Journal of Chemistry","2018","42","8","6247","","10.1039/C8NJ00667A","","","0.71073","MoKα","","0.1432","0.0811","","","0.1947","0.2266","","","","","","1.168","","","","has coordinates","230241","2020-10-21","18:00:00",""
"7057177","7.7035","0.0013","11.4502","0.0013","14.6009","0.0016","83.388","0.009","80.279","0.011","82.689","0.011","1253.3","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl N6 O2 -","- C12 H9 Cl N6 O2 -","- C48 H36 Cl4 N24 O8 -","4","2","","Beliaev, Nikolai A.; Shafikov, Marsel Z.; Efimov, Ilya V.; Beryozkina, Tetyana V.; Lubec, Gert; Dehaen, Wim; Bakulev, Vasiliy A.","Design and synthesis of imidazoles linearly connected to carbocyclic and heterocyclic ringsviaa 1,2,3-triazole linker. Reactivity of β-azolyl enamines towards heteroaromatic azides","New Journal of Chemistry","2018","42","9","7049","","10.1039/C7NJ04243D","","","0.71073","MoKα","","0.112","0.0506","","","0.1164","0.1286","","","","","","1.009","","","","has coordinates,has disorder","230430","2020-10-21","18:00:00",""
"7057178","16.928","0.012","17.377","0.003","12.031","0.002","90","","90","","90","","3539","3","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C17 H22 N5 O2.5 -","- C17 H22 N5 O2.5 -","- C136 H176 N40 O20 -","8","1","","Beliaev, Nikolai A.; Shafikov, Marsel Z.; Efimov, Ilya V.; Beryozkina, Tetyana V.; Lubec, Gert; Dehaen, Wim; Bakulev, Vasiliy A.","Design and synthesis of imidazoles linearly connected to carbocyclic and heterocyclic ringsviaa 1,2,3-triazole linker. Reactivity of β-azolyl enamines towards heteroaromatic azides","New Journal of Chemistry","2018","42","9","7049","","10.1039/C7NJ04243D","","","1.54184","CuKα","","0.1177","0.0538","","","0.0701","0.0728","","","","","","1.005","","","","has coordinates","230430","2020-10-21","18:00:00",""
"7057179","7.0876","0.0008","9.8869","0.0013","11.4194","0.0015","89.761","0.016","73.244","0.011","69.093","0.012","711.41","0.18","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N5 O2 -","- C5 H5 N5 O2 -","- C20 H20 N20 O8 -","4","2","","Beliaev, Nikolai A.; Shafikov, Marsel Z.; Efimov, Ilya V.; Beryozkina, Tetyana V.; Lubec, Gert; Dehaen, Wim; Bakulev, Vasiliy A.","Design and synthesis of imidazoles linearly connected to carbocyclic and heterocyclic ringsviaa 1,2,3-triazole linker. Reactivity of β-azolyl enamines towards heteroaromatic azides","New Journal of Chemistry","2018","42","9","7049","","10.1039/C7NJ04243D","","","0.71073","MoKα","","0.1315","0.0439","","","0.0691","0.0752","","","","","","1","","","","has coordinates","230430","2020-10-21","18:00:00",""
"7057180","11.2284","0.0009","15.3788","0.0012","15.7738","0.0013","90","","90","","90","","2723.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O10 Ru3 -","- C24 H20 N2 O10 Ru3 -","- C96 H80 N8 O40 Ru12 -","4","1","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0256","0.0216","","","0.05","0.0523","","","","","","1.149","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057181","12.0348","0.0013","12.0348","0.0013","21.3648","0.0017","90","","90","","90","","3094.4","0.5","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H24 N2 O10 Ru3 -","- C28 H24 N2 O10 Ru3 -","- C112 H96 N8 O40 Ru12 -","4","0.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0482","0.0335","","","0.0784","0.0884","","","","","","1.087","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057182","37.38","0.003","11.631","0.0011","14.8401","0.0012","90","","94.398","0.001","90","","6433","1","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H23.33 N2 O12 Ru3 -","- C34 H23.3333 N2 O12 Ru3 -","- C204 H140 N12 O72 Ru18 -","6","1.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.1602","0.0775","","","0.1711","0.1839","","","","","","1.083","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057183","14.677","0.004","14.677","0.004","29.911","0.016","90","","90","","90","","6443","4","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C32 H20 N2 O10 Ru3 -","- C32 H20 N2 O10 Ru3 -","- C256 H160 N16 O80 Ru24 -","8","0.5","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0764","0.0466","","","0.1069","0.1323","","","","","","1.158","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057184","16.4503","0.0014","10.8605","0.0009","20.7249","0.0017","90","","106.928","0.002","90","","3542.2","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Br2 N2 O10 Ru3 -","- C32 H18 Br2 N2 O10 Ru3 -","- C128 H72 Br8 N8 O40 Ru12 -","4","1","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0717","0.0399","","","0.0835","0.0941","","","","","","1.014","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057185","13.419","0.003","15.603","0.003","16.433","0.003","76.17","0.03","67.57","0.03","88.95","0.03","3078","1.4","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.33 H84 B N6.34 Ni2 O S2 -","- C62.33 H84 B N6.33 Ni2 O S2 -","- C124.66 H168 B2 N12.66 Ni4 O2 S4 -","2","1","","Jeremies, Alexander; Gruschinski, Sina; Schmorl, Sara; Severin, Tobias; Kersting, Berthold","Selective coordination of cyanate and thiocyanate in the end-on mode: synthesis, structures and properties of [NiII2L(μ1,1-NCO)]+ and [NiII2L(μ1,1-NCS)]+ (L2− = macrocyclic N6S2 ligand)","New Journal of Chemistry","2018","42","10","7630","","10.1039/C8NJ00114F","","","0.71073","MoKα","","0.1252","0.0455","","","0.0752","0.0903","","","","","","0.663","","","","has coordinates,has disorder","230194","2020-10-21","18:00:00",""
"7057186","7.9423","0.0011","8.3974","0.001","11.4457","0.0016","99.623","0.009","101.966","0.009","98.974","0.009","721.75","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 F3 N2 O S -","- C15 H7 F3 N2 O S -","- C30 H14 F6 N4 O2 S2 -","2","1","","Günsel, Armağan; Bilgiçli, Ahmet T.; Pişkin, Hasan; Çaylak Delibaş, Nagihan; Yarasir, M. Nilüfer; Gündüz, Bayram","Synthesis, characterization, and optical and surface properties of (4-(trifluoromethylthio)phenoxy) copper(ii) phthalocyanine","New Journal of Chemistry","2018","42","8","6013","","10.1039/C8NJ00504D","","","0.71073","MoKα","","0.0728","0.0472","","","0.105","0.1202","","","","","","1.049","","","","has coordinates","230243","2020-10-21","18:00:00",""
"7057187","14.304","0.003","12.424","0.002","15.281","0.003","90","","106.36","0.003","90","","2605.7","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 N4 O3 -","- C33 H22 N4 O3 -","- C132 H88 N16 O12 -","4","1","","Han, Xie; Li, Dongyang; Ma, Xiaoxie; Liu, Sheng Hua; Yin, Jun","Photoactivatable fluorescence enhanced behaviour of benzo[c][1,2,5]oxadiazole-dressing tetraphenylethene","New Journal of Chemistry","2018","42","9","6609","","10.1039/C8NJ00395E","","","0.71073","MoKα","","0.0691","0.0471","","","0.13","0.1578","","","","","","1.059","","","","has coordinates","230438","2020-10-21","18:00:00",""
"7057188","15.6308","0.001","11.7536","0.0008","21.0207","0.0014","90","","92.486","0.006","90","","3858.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C28 H37 Cu4 I4 N7 -","- C28 H37 Cu4 I4 N7 -","- C112 H148 Cu16 I16 N28 -","4","1","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.1853","0.0981","","","0.2375","0.296","","","","","","1.055","","","","has coordinates,has disorder","230527","2020-10-21","18:00:00",""
"7057189","9.2037","0.0007","9.8345","0.0005","16.6471","0.0009","90","","103.656","0.006","90","","1464.2","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-LT","","- C20 H16 Cu4 F6 I4 N6 -","- C20 H16 Cu4 F6 I4 N6 -","- C40 H32 Cu8 F12 I8 N12 -","2","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.0622","0.0369","","","0.0679","0.0793","","","","","","1.041","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057190","8.525","0.0004","9.6093","0.0004","17.1221","0.0007","98.411","0.003","92.127","0.004","99.493","0.003","1365.84","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","5","","- C56 H46 Cu4 I4 N6 O2 -","- C56 H46 Cu4 I4 N6 O2 -","- C56 H46 Cu4 I4 N6 O2 -","1","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.0647","0.0458","","","0.121","0.1349","","","","","","1.032","","","","has coordinates,has disorder","230527","2020-10-21","18:00:00",""
"7057191","9.3659","0.0003","9.8423","0.0002","16.7265","0.0004","90","","102.865","0.003","90","","1503.18","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-RT","","- C20 H16 Cu4 F6 I4 N6 -","- C20 H16 Cu4 F6 I4 N6 -","- C40 H32 Cu8 F12 I8 N12 -","2","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.0332","0.0256","","","0.0518","0.0551","","","","","","1.036","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057192","23.146","0.003","18.2397","0.0018","9.1304","0.001","90","","90","","90","","3854.6","0.8","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C120 H104 Cu16 I16 N24 -","4","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.1714","0.0749","","","0.1674","0.2097","","","","","","1.009","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057193","8.3998","0.0006","9.9053","0.0005","10.7689","0.0006","96.49","0.005","91.848","0.005","105.378","0.006","856.57","0.09","293","2","293","2","","","","","","","solvothermal condition","5","P -1","-P 1","2","","4","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","1","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","0.71073","MoKα","","0.048","0.0316","","","0.0529","0.0596","","","","","","1.007","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057194","8.274","0.0004","9.8472","0.0004","10.7436","0.0005","96.543","0.002","91.051","0.002","105.758","0.002","835.85","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4-LT","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","1","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","1.54178","CuKα","","0.0332","0.0301","","","0.0957","0.0997","","","","","","1.041","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057195","8.3723","0.0002","9.5464","0.0002","16.9481","0.0004","98.435","0.001","92.294","0.001","98.655","0.001","1322","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","5-LT","","- C56 H46 Cu4 I4 N6 O2 -","- C56 H46 Cu4 I4 N6 O2 -","- C56 H46 Cu4 I4 N6 O2 -","1","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","1.54178","CuKα","","0.0315","0.0298","","","0.0832","0.0842","","","","","","1.042","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057196","22.6213","0.0006","18.2046","0.0005","9.0203","0.0002","90","","90","","90","","3714.67","0.16","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-LT","","- C30 H26 Cu4 I4 N6 -","- C30 H26 Cu4 I4 N6 -","- C120 H104 Cu16 I16 N24 -","4","0.5","","Yu, Ya-Dong; Meng, Ling-Bin; Chen, Qiu-Cheng; Chen, Guang-Hui; Huang, Xiao-Chun","Substituent regulated photoluminescent thermochromism in a rare type of octahedral Cu4I4 clusters","New Journal of Chemistry","2018","42","11","8426","","10.1039/C8NJ00505B","","","1.54178","CuKα","","0.0406","0.0372","","","0.0922","0.0945","","","","","","1.015","","","","has coordinates","230527","2020-10-21","18:00:00",""
"7057197","8.5102","0.0012","11.3944","0.0018","11.7116","0.0019","97.936","0.013","96.991","0.013","110.09","0.014","1038.7","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","fused Ph-BOD-Ph","","- C26 H26 N4 O -","- C26 H26 N4 O -","- C52 H52 N8 O2 -","2","1","","Ghosh, Sirina; Kumar, Neha Rani; Zade, Sanjio S.","Effects of chalcogen atom variation in chalcogenadiazole fused indolo[2,3-a]carbazoles","New Journal of Chemistry","2018","42","9","6889","","10.1039/C7NJ04661H","","x-ray","0.71073","MoKα","","0.115","0.096","","","0.2506","0.2673","","","","","","1.133","","","","has coordinates","230441","2020-10-21","18:00:00",""
"7057198","20.8253","0.0006","14.6218","0.0005","16.028","0.0005","90","","109.45","0.004","90","","4602.1","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","fused Ph-BTD-Ph","","- C26.5 H27 Cl N4 S -","- C26.5 H27 Cl N4 S -","- C212 H216 Cl8 N32 S8 -","8","1","","Ghosh, Sirina; Kumar, Neha Rani; Zade, Sanjio S.","Effects of chalcogen atom variation in chalcogenadiazole fused indolo[2,3-a]carbazoles","New Journal of Chemistry","2018","42","9","6889","","10.1039/C7NJ04661H","","x-ray","0.71073","MoKα","","0.0617","0.0522","","","0.1151","0.1211","","","","","","1.042","","","","has coordinates","230441","2020-10-21","18:00:00",""
"7057199","12.7551","0.0002","13.1558","0.0002","25.5659","0.0005","104.738","0.001","98.599","0.001","94.89","0.001","4068.03","0.12","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H82 Mn6 N8 O24 -","- C78 H82 Mn6 N8 O24 -","- C156 H164 Mn12 N16 O48 -","2","1","","Tarushi, Alketa; Geromichalos, George D.; Lafazanis, Kostas; Raptopoulou, Catherine P.; Psycharis, Vassilis; Lalioti, Nikolia; Pantazaki, Anastasia A.; Kessissoglou, Dimitris P.; Tangoulis, Vassilis; Psomas, George","A step-ladder manganese(iii) metallacrown hosting mefenamic acid and a manganese(ii)‒mefanamato complex: synthesis, characterization and cytotoxic activity","New Journal of Chemistry","2018","42","9","6955","","10.1039/C8NJ01182F","","","1.54178","CuKα","","0.1096","0.0734","","","0.1776","0.232","","","","","","1.153","","","","has coordinates","230448","2020-10-21","18:00:00",""
"7057200","13.107","0.0011","13.733","0.0007","14.608","0.0009","81.323","0.003","70.114","0.004","75.816","0.003","2390.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","timcwbipy","","","- C51 H43 F6 N4 O2 P3 Ru -","- C51 H43 F6 N4 O2 P3 Ru -","- C102 H86 F12 N8 O4 P6 Ru2 -","2","1","","Correa, Rodrigo S.; Freire, Vitória; Barbosa, Marília I. F.; Bezerra, Daniel P.; Bomfim, Larissa M.; Moreira, Diogo R. M.; Soares, Milena B. P.; Ellena, Javier; Batista, Alzir A.","Ru(ii)‒thyminate complexes: new metallodrug candidates against tumor cells","New Journal of Chemistry","2018","42","9","6794","","10.1039/C7NJ04368F","","","0.71073","MoKα","","0.0591","0.0489","","","0.1351","0.1432","","","","","","1.027","","","","has coordinates,has disorder","230439","2020-10-21","18:00:00",""
"7057201","18.3197","0.0007","12.5109","0.0007","19.7938","0.0016","90","","116.165","0.003","90","","4071.8","0.4","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 N4 O5 P2 Ru -","- C43 H46 N4 O5 P2 Ru -","- C172 H184 N16 O20 P8 Ru4 -","4","1","","Correa, Rodrigo S.; Freire, Vitória; Barbosa, Marília I. F.; Bezerra, Daniel P.; Bomfim, Larissa M.; Moreira, Diogo R. M.; Soares, Milena B. P.; Ellena, Javier; Batista, Alzir A.","Ru(ii)‒thyminate complexes: new metallodrug candidates against tumor cells","New Journal of Chemistry","2018","42","9","6794","","10.1039/C7NJ04368F","","x-ray","0.71073","MoKα","","0.089","0.059","","","0.141","0.1555","","","","","","1.056","","","","has coordinates","230439","2020-10-21","18:00:00",""
"7057202","9.3666","0.0004","35.0692","0.0015","14.1635","0.0005","90","","101.461","0.002","90","","4559.6","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H58 Cl Li3 N6 Ni2 O26 P2 -","- C26 H54 Cl Li3 N6 Ni2 O26 P2 -","- C104 H216 Cl4 Li12 N24 Ni8 O104 P8 -","4","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.042","0.0372","","","0.09","0.0931","","","","","","1.035","","","","has coordinates,has disorder","230196","2020-10-21","18:00:00",""
"7057203","8.2892","0.0004","8.6425","0.0004","16.9266","0.0008","80.3194","0.0017","83.4676","0.0017","67.5168","0.0015","1102.86","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H27 Cl Cu Li N3 O9 P2 -","- C14 H27 Cl Cu Li N3 O9 P2 -","- C28 H54 Cl2 Cu2 Li2 N6 O18 P4 -","2","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0295","0.0254","","","0.0613","0.0632","","","","","","1.058","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057204","12.4639","0.0004","10.6323","0.0004","15.2654","0.0005","90","","102.271","0.001","90","","1976.75","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 N8 Ni2 O5 P2 S2 -","- C30 H34 N8 Ni2 O4 P2 S2 -","- C60 H68 N16 Ni4 O8 P4 S4 -","2","0.5","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0343","0.0278","","","0.0661","0.0683","","","","","","1.046","","","","has coordinates,has disorder","230196","2020-10-21","18:00:00",""
"7057205","9.2402","0.0003","13.3847","0.0004","12.0873","0.0004","90","","104.579","0.001","90","","1446.79","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl Cu N3 O3 P -","- C13 H15 Cl Cu N3 O3 P -","- C52 H60 Cl4 Cu4 N12 O12 P4 -","4","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0295","0.0262","","","0.0809","0.0828","","","","","","1.114","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057206","9.3018","0.0003","9.3173","0.0003","16.7701","0.0005","90","","95.057","0.001","90","","1447.77","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Li2 N6 O6 P2 -","- C26 H30 Li2 N6 O6 P2 -","- C52 H60 Li4 N12 O12 P4 -","2","0.5","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","1.54178","CuKα","","0.0392","0.0363","","","0.1009","0.1023","","","","","","1.236","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057207","8.607","0.0002","25.0089","0.0005","7.619","0.0002","90","","90","","90","","1640","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 Cl N3 O5 P -","- C13 H21 Cl N3 O5 P -","- C52 H84 Cl4 N12 O20 P4 -","4","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","1.54178","CuKα","","0.0278","0.0264","","","0.0651","0.0659","","","","","","1.086","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057208","8.4334","0.0003","8.5412","0.0004","14.2914","0.0006","86.225","0.002","77.544","0.002","73.399","0.002","963.29","0.07","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H18.6 Cl Cu N3 Na O4.8 P2 -","- C14 H17 Cl Cu N3 Na O4.8 P2 -","- C28 H34 Cl2 Cu2 N6 Na2 O9.6 P4 -","2","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0525","0.0478","","","0.1274","0.1309","","","","","","1.047","","","","has coordinates,has disorder","230196","2020-10-21","18:00:00",""
"7057209","8.3721","0.0002","22.6005","0.0006","17.3031","0.0006","90","","97.159","0.002","90","","3248.46","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 Cl3 Cu2 N6 O7 P2 -","- C26 H33 Cl3 Cu2 N6 O7 P2 -","- C104 H132 Cl12 Cu8 N24 O28 P8 -","4","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0792","0.0527","","","0.1245","0.1379","","","","","","1.05","","","","has coordinates,has disorder","230196","2020-10-21","18:00:00",""
"7057210","8.088","0.0004","8.5326","0.0005","14.6161","0.0008","73.868","0.002","74.07","0.002","69.458","0.002","889.62","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H21 Cl Cu N3 O6 P -","- C13 H21 Cl Cu N3 O6 P -","- C26 H42 Cl2 Cu2 N6 O12 P2 -","2","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0449","0.0342","","","0.0871","0.0918","","","","","","1.055","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057211","20.264","0.0009","13.5918","0.0006","14.8142","0.0006","90","","90.348","0.002","90","","4080.1","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 N4 Ni O6 P2 S -","- C15 H22 N4 Ni O6 P2 S -","- C120 H176 N32 Ni8 O48 P16 S8 -","8","1","","Hlinová, Veronika; Jaroš, Adam; David, Tomáš; Císařová, Ivana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr","Complexes of phosphonate and phosphinate derivatives of dipicolylamine","New Journal of Chemistry","2018","42","10","7713","","10.1039/C8NJ00100F","","","0.71073","MoKα","","0.0265","0.0229","","","0.0584","0.0604","","","","","","1.053","","","","has coordinates","230196","2020-10-21","18:00:00",""
"7057212","14.107","0.003","23.359","0.004","42.774","0.008","90","","90","","90","","14095","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C129 H154 N4 O26 -","- C129 H154 N4 O26 -","- C516 H616 N16 O104 -","4","0.5","","Jiang, Shuo; Han, Ying; Cheng, Ming; Sun, Jing; Yan, Chao-Guo; Jiang, Juli; Wang, Leyong","Self-locked dipillar[5]arene-based pseudo[1]rotaxanes and bispseudo[1]rotaxanes with different lengths of bridging chains","New Journal of Chemistry","2018","42","10","7603","","10.1039/C7NJ05192A","","","0.71073","MoKα","","0.3296","0.1801","","","0.4347","0.479","","","","","","1.167","","","","has coordinates","230192","2020-10-21","18:00:00",""
"7057213","12.413","0.002","22.404","0.003","22.568","0.003","62.389","0.004","77.747","0.004","81.705","0.004","5427.1","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H124 N2 O22 -","- C104 H124 N2 O22 -","- C208 H248 N4 O44 -","2","1","","Jiang, Shuo; Han, Ying; Cheng, Ming; Sun, Jing; Yan, Chao-Guo; Jiang, Juli; Wang, Leyong","Self-locked dipillar[5]arene-based pseudo[1]rotaxanes and bispseudo[1]rotaxanes with different lengths of bridging chains","New Journal of Chemistry","2018","42","10","7603","","10.1039/C7NJ05192A","","","0.71073","MoKα","","0.311","0.2","","","0.4349","0.4712","","","","","","1.047","","","","has coordinates","230192","2020-10-21","18:00:00",""
"7057214","45.9782","0.001","49.2984","0.001","31.8403","0.0005","90","","113.392","0.001","90","","66239","2","190","1","190","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Cluster-1","","- C208 H263 N16 O64 Sm4 Zn8 -","- C208 H263 N16 O64 Sm4 Zn8 -","- C1664 H2104 N128 O512 Sm32 Zn64 -","8","1","","Bo, Le; Wang, Shiqing; Schipper, Desmond; Yang, Xiaoping; Zhu, Ting; Tao, Junbin","Self-assembly of luminescent Zn‒Ln (Ln = Sm and Nd) nanoclusters with a long-chain Schiff base ligand","New Journal of Chemistry","2018","42","9","7241","","10.1039/C7NJ04967F","","","0.71073","MoKα","","0.0979","0.0662","","","0.174","0.1873","","","","","","1.094","","","","has coordinates","230449","2020-10-21","18:00:00",""
"7057215","14.0406","0.0016","14.559","0.0017","15.1359","0.0017","62.402","0.002","87.66","0.002","65.354","0.002","2447.2","0.5","190","1","190","1","","","","","","","","6","P -1","-P 1","2","","Cluster-3","","- C62 H86 Eu4 N8 O45 Zn4 -","- C62 H86 Eu4 N8 O45 Zn4 -","- C62 H86 Eu4 N8 O45 Zn4 -","1","0.5","","Bo, Le; Wang, Shiqing; Schipper, Desmond; Yang, Xiaoping; Zhu, Ting; Tao, Junbin","Self-assembly of luminescent Zn‒Ln (Ln = Sm and Nd) nanoclusters with a long-chain Schiff base ligand","New Journal of Chemistry","2018","42","9","7241","","10.1039/C7NJ04967F","","","0.71073","MoKα","","0.0535","0.0392","","","0.1243","0.1482","","","","","","1.072","","","","has coordinates","230449","2020-10-21","18:00:00",""
"7057216","15.599","0.006","9.111","0.004","16.219","0.006","90","","97.508","0.009","90","","2285.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N4 Ni O8 -","- C18 H26 Cl2 N4 Ni O8 -","- C72 H104 Cl8 N16 Ni4 O32 -","4","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0673","0.0458","","","0.1111","0.1174","","","","","","1.099","","","","has coordinates,has disorder","230437","2020-10-21","18:00:00",""
"7057217","15.145","0.007","14.852","0.007","20.147","0.009","90","","93.234","0.009","90","","4525","4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 F10 O14 Zn3.5 -","- C43 H31 F10 O14 Zn3.5 -","- C172 H124 F40 O56 Zn14 -","4","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.2713","0.0642","","","0.1347","0.2129","","","","","","0.749","","","","has coordinates","230437","2020-10-21","18:00:00",""
"7057218","12.618","0.002","14.324","0.002","14.933","0.002","62.979","0.003","84.892","0.003","80.076","0.003","2368.2","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H48 F20 N6 O22 Zn7 -","- C82 H48 F20 N6 O22 Zn7 -","- C82 H48 F20 N6 O22 Zn7 -","1","0.5","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.094","0.0647","","","0.2117","0.2259","","","","","","1.026","","","","has coordinates","230437","2020-10-21","18:00:00",""
"7057219","11.6569","0.0007","10.9364","0.0007","12.8998","0.0008","90","","108.885","0.001","90","","1556","0.17","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F4 N4 O4 Zn -","- C34 H26 F4 N4 O4 Zn -","- C68 H52 F8 N8 O8 Zn2 -","2","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0258","0.0256","","","0.066","0.0663","","","","","","1.136","","","","has coordinates","230437","2020-10-21","18:00:00",""
"7057220","14.932","0.003","10.07","0.002","15.112","0.003","90","","113.25","0.03","90","","2087.8","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag2 N7 O6 -","- C18 H17 Ag2 N7 O6 -","- C72 H68 Ag8 N28 O24 -","4","1","","Abu-Youssef, Morsy A. M.; Soliman, Saied M.; El-Faham, Ayman; Albering, Jörg; Sharaf, Mona M.; Gohar, Yousry M.; Diana, Eliano; Gatterer, Karl; Kettle, Sidney F. A.","A new triazoloquinoxaline ligand and its polymeric 1D silver(i) complex: synthesis, structure, and antimicrobial activity","New Journal of Chemistry","2018","42","9","7197","","10.1039/C7NJ02886E","","","0.71073","MoKα","","0.1007","0.0658","","","0.1585","0.1872","","","","","","1.012","","","","has coordinates,has disorder","230445","2020-10-21","18:00:00",""
"7057221","11.496","0.002","12.436","0.003","13.615","0.003","94.96","0.03","110.83","0.03","116.22","0.03","1561.7","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N5 -","- C18 H17 N5 -","- C72 H68 N20 -","4","2","","Abu-Youssef, Morsy A. M.; Soliman, Saied M.; El-Faham, Ayman; Albering, Jörg; Sharaf, Mona M.; Gohar, Yousry M.; Diana, Eliano; Gatterer, Karl; Kettle, Sidney F. A.","A new triazoloquinoxaline ligand and its polymeric 1D silver(i) complex: synthesis, structure, and antimicrobial activity","New Journal of Chemistry","2018","42","9","7197","","10.1039/C7NJ02886E","","","0.71073","MoKα","","0.117","0.0515","","","0.1009","0.1257","","","","","","1.007","","","","has coordinates","230445","2020-10-21","18:00:00",""
"7057222","12.911","0.003","18.214","0.004","8.554","0.0017","90","","91.9","0.03","90","","2010.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","Hu, Shihe; Zhang, Jian; Jin, Qiaomei","DMAP-catalyzed alkylation of isatin N,N′-cyclic azomethine imine 1,3-dipoles with Morita‒Baylis‒Hillman carbonates","New Journal of Chemistry","2018","42","9","7025","","10.1039/C8NJ00234G","","","0.71073","MoKα","","0.2222","0.1264","","","0.2715","0.3178","","","","","","1.538","","","","has coordinates","230442","2020-10-21","18:00:00",""
"7057223","11.9909","0.0006","7.4346","0.0004","13.3364","0.0007","90","","115.746","0.001","90","","1070.88","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 B7 Cl I P2 -","- C2 H7 B7 Cl I P2 -","- C8 H28 B28 Cl4 I4 P8 -","4","1","","Holub, Josef; Růžičková, Zdeňka; Hobza, Pavel; Fanfrlík, Jindřich; Hnyk, Drahomír; Růžička, Aleš","Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt","New Journal of Chemistry","2018","42","13","10481","","10.1039/C8NJ00450A","","","0.71073","MoKα","","0.0192","0.0189","","","0.0551","0.0553","","","","","","1.379","","","","has coordinates","230386","2020-10-21","18:00:00",""
"7057224","8.6392","0.0017","8.6163","0.0017","20.066","0.004","90","","93.8","0.03","90","","1490.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O Pt S -","- C16 H12 N2 O Pt S -","- C64 H48 N8 O4 Pt4 S4 -","4","1","","Fereidoonnezhad, Masood; Ramezani, Zahra; Nikravesh, Mahshid; Zangeneh, Jalalaldin; Golbon Haghighi, Mohsen; Faghih, Zahra; Notash, Behrouz; Shahsavari, Hamid R.","Cycloplatinated(ii) complexes bearing an O,S-heterocyclic ligand: search for anticancer drugs","New Journal of Chemistry","2018","42","9","7177","","10.1039/C8NJ01332B","","","0.71073","MoKα","","0.1168","0.0567","","","0.0728","0.0835","","","","","","0.947","","","","has coordinates","230443","2020-10-21","18:00:00",""
"7057225","15.5239","0.0016","14.3008","0.0008","7.9558","0.0007","90","","118.373","0.012","90","","1554","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.","May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)","New Journal of Chemistry","2018","42","13","10642","","10.1039/C8NJ00422F","","","0.71073","MoKα","","0.0429","0.0319","","","0.0697","0.0732","","","","","","1.024","","","","has coordinates","230380","2020-10-21","18:00:00",""
"7057226","8.1852","0.0004","12.5785","0.0006","14.585","0.0006","90","","91.223","0.004","90","","1501.29","0.12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl6 Cu N2 -","- C10 H6 Cl6 Cu N2 -","- C40 H24 Cl24 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.","May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)","New Journal of Chemistry","2018","42","13","10642","","10.1039/C8NJ00422F","","","0.71073","MoKα","","0.0406","0.0305","","","0.0628","0.0665","","","","","","1.055","","","","has coordinates","230380","2020-10-21","18:00:00",""
"7057227","8.252","0.0005","12.8053","0.0008","14.6136","0.0008","90","","90.902","0.005","90","","1544.02","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.","May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)","New Journal of Chemistry","2018","42","13","10642","","10.1039/C8NJ00422F","","","0.71073","MoKα","","0.0464","0.0333","","","0.0751","0.0792","","","","","","1.013","","","","has coordinates","230380","2020-10-21","18:00:00",""
"7057228","16.4247","0.0008","14.1799","0.0004","14.5688","0.0008","90","","120.219","0.007","90","","2932","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl6 Cu N2 -","- C10 H6 Cl6 Cu N2 -","- C80 H48 Cl48 Cu8 N16 -","8","1","","Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.","May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)","New Journal of Chemistry","2018","42","13","10642","","10.1039/C8NJ00422F","","","0.71073","MoKα","","0.0365","0.0285","","","0.0657","0.0689","","","","","","1.057","","","","has coordinates","230380","2020-10-21","18:00:00",""
"7057229","10.678","0.005","13.945","0.005","16.534","0.005","65.115","0.005","72.713","0.005","75.622","0.005","2110.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H63 Dy O8 -","- C35 H63 Dy O8 -","- C70 H126 Dy2 O16 -","2","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Shi, Chao; Li, Yuxin; Li, Guangming","Single-ion magnets with D4d symmetry based on electron-donating β-diketonate Dy(iii) complexes","New Journal of Chemistry","2018","42","11","8438","","10.1039/C8NJ00636A","","","0.71069","MoKα","","0.0555","0.0421","","","0.0953","0.1031","","","","","","1.051","","","","has coordinates,has disorder","230533","2020-10-21","18:00:00",""
"7057230","10.928","0.005","12.363","0.005","21.554","0.005","96.749","0.005","102.977","0.005","110.251","0.005","2600.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 Dy N4 O6 -","- C51 H68 Dy N4 O6 -","- C102 H136 Dy2 N8 O12 -","2","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Shi, Chao; Li, Yuxin; Li, Guangming","Single-ion magnets with D4d symmetry based on electron-donating β-diketonate Dy(iii) complexes","New Journal of Chemistry","2018","42","11","8438","","10.1039/C8NJ00636A","","","0.71069","MoKα","","0.1175","0.0619","","","0.0976","0.1183","","","","","","1.034","","","","has coordinates,has disorder","230533","2020-10-21","18:00:00",""
"7057231","11.051","0.005","12.325","0.005","18.666","0.005","79.895","0.005","87.642","0.005","68.779","0.005","2332.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H65 Dy N2 O6 -","- C45 H65 Dy N2 O6 -","- C90 H130 Dy2 N4 O12 -","2","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Shi, Chao; Li, Yuxin; Li, Guangming","Single-ion magnets with D4d symmetry based on electron-donating β-diketonate Dy(iii) complexes","New Journal of Chemistry","2018","42","11","8438","","10.1039/C8NJ00636A","","","0.71069","MoKα","","0.0423","0.0332","","","0.0694","0.0739","","","","","","1.042","","","","has coordinates,has disorder","230533","2020-10-21","18:00:00",""
"7057232","10.955","0.005","12.357","0.005","19.88","0.005","101.826","0.005","92.723","0.005","110.819","0.005","2440.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H66 Dy N4 O6 -","- C47 H66 Dy N4 O6 -","- C94 H132 Dy2 N8 O12 -","2","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Shi, Chao; Li, Yuxin; Li, Guangming","Single-ion magnets with D4d symmetry based on electron-donating β-diketonate Dy(iii) complexes","New Journal of Chemistry","2018","42","11","8438","","10.1039/C8NJ00636A","","","0.71069","MoKα","","0.0491","0.0407","","","0.0999","0.1064","","","","","","1.059","","","","has coordinates,has disorder","230533","2020-10-21","18:00:00",""
"7057233","8.3736","0.0008","10.9069","0.0009","14.128","0.0014","101.86","0.004","96.035","0.005","105.536","0.004","1198.9","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 Cu2 N6 O16 -","- C40 H42 Cl2 Cu2 N6 O16 -","- C40 H42 Cl2 Cu2 N6 O16 -","1","0.5","","Dutta, Basudeb; Dey, Arka; Naskar, Kaushik; Ahmed, Faruk; Purkait, Rakesh; Islam, Sakhiul; Ghosh, Soumen; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Cu(ii)-Based binuclear compound for the application of photosensitive electronic devices","New Journal of Chemistry","2018","42","11","8629","","10.1039/C8NJ00313K","","","0.71073","MoKα","","0.06","0.0523","","","0.1471","0.158","","","","","","1.059","","","","has coordinates","230538","2020-10-21","18:00:00",""
"7057234","29.3188","0.0009","29.3188","0.0009","8.8681","0.0003","90","","90","","90","","7622.9","0.4","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C39 H29 N5 O3 -","- C39 H29 N5 O3 -","- C312 H232 N40 O24 -","8","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1626","0.0576","","","0.1353","0.168","","","","","","1.01","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7057235","23.5417","0.0012","16.612","0.0008","9.1741","0.0005","90","","100.111","0.002","90","","3532","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H41 N5 O -","- C44 H41 N5 O -","- C176 H164 N20 O4 -","4","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1542","0.0751","","","0.2005","0.243","","","","","","1.025","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7057236","10.4334","0.0004","11.4214","0.0004","12.7442","0.0005","64.165","0.002","78.961","0.002","71.119","0.002","1291.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N4 Ni O2 -","- C33 H24 N4 Ni O2 -","- C66 H48 N8 Ni2 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1298","0.0697","","","0.1725","0.2015","","","","","","1.027","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7057237","21.6164","0.0017","9.6459","0.0005","33.206","0.003","90","","93.087","0.001","90","","6913.7","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C76 H54 N10 O2 Zn2 -","- C76 H54 N10 O2 Zn2 -","- C304 H216 N40 O8 Zn8 -","4","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1796","0.0787","","","0.177","0.217","","","","","","1.017","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7057238","7.4764","0.0005","9.8577","0.0007","18.0856","0.0012","94.177","0.003","90.378","0.003","98.712","0.003","1313.82","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N4 O2 -","- C33 H26 N4 O2 -","- C66 H52 N8 O4 -","2","1","","Zhang, Fan; Baudron, Stéphane A.; Hosseini, Mir Wais","Symmetrical and dissymmetrical 2,2′-bis-dipyrrin ligands and Zn(ii) binuclear helicates","New Journal of Chemistry","2018","42","9","6997","","10.1039/C8NJ00335A","","","0.71073","MoKα","","0.1335","0.1045","","","0.3061","0.3286","","","","","","1.066","","","","has coordinates","230450","2020-10-21","18:00:00",""
"7057239","32.614","0.004","15.7648","0.0015","25.292","0.003","90","","111.421","0.003","90","","12106","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C21 H51 Fe3 N14 Na3 O73 Sb2 W18 -","- C13.25 H19.25 Fe3 N10.25 Na3 O71 Sb2 W18 -","- C53 H77 Fe12 N41 Na12 O284 Sb8 W72 -","4","0.5","","Sun, Minghui; Wang, Tianqi; Li, Fengyan; Sun, Zhixia; Xu, Lin","A novel sandwich-tungstoantimonate cluster with FeII ions: synthesis, magnetic property and electrochemical sensing of dopamine","New Journal of Chemistry","2018","42","9","7480","","10.1039/C8NJ00187A","","","0.71073","MoKα","","0.1286","0.0634","","","0.1693","0.2061","","","","","","1.029","","","","has coordinates,has disorder","230447","2020-10-21","18:00:00",""
"7057240","14.243","0.003","6.9172","0.0011","11.5429","0.0018","90","","90","","90","","1137.2","0.3","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H4 Cu N2 O10 V4 -","- C4 H4 Cu N2 O10 V4 -","- C16 H16 Cu4 N8 O40 V16 -","4","0.25","","Li, Shaobin; Zhang, Li; Lu, Borong; Yan, Eryun; Wang, Tonghui; Li, Li; Wang, Jianxin; Yu, Yan; Mu, Qingdi","A new polyoxovanadate-based metal‒organic framework: synthesis, structure and photo-/electro-catalytic properties","New Journal of Chemistry","2018","42","9","7247","","10.1039/C7NJ05032A","","","0.71073","MoKα","","0.0415","0.0371","","","0.1043","0.11","","","","","","1.055","","","","has coordinates","230435","2020-10-21","18:00:00",""
"7057241","16.157","0.002","13.9906","0.0017","20.088","0.003","90","","110.011","0.006","90","","4266.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","beta-heptachloro-nitro-meso-tetraphenylporphyrin Co(II) complex","2,3,7,8,12,13,17-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatocobalt(II)","","- C46 H28 Cl7 Co N5 O4 -","- C46 H28 Cl7 Co N5 O4 -","- C184 H112 Cl28 Co4 N20 O16 -","4","1","","Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan","Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes","New Journal of Chemistry","2018","42","10","8190","","10.1039/C7NJ04418F","","","0.71073","MoKα","","0.0538","0.0351","","","0.0832","0.0932","","","","","","1.017","","","","has coordinates,has disorder","230189","2020-10-21","18:00:00",""
"7057242","10.4998","0.0007","14.4853","0.0009","15.9272","0.0011","110.246","0.006","97.02","0.006","103.619","0.005","2153","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","beta-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)","2,3,7,8,12,13,17-octachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)","","- C46 H28 Cl7.5 N4.5 O3 Zn -","- C46 H28 Cl7.5 N4.5 O3 Zn -","- C92 H56 Cl15 N9 O6 Zn2 -","2","1","","Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan","Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes","New Journal of Chemistry","2018","42","10","8190","","10.1039/C7NJ04418F","","","0.71073","MoKα","","0.148","0.1121","","","0.2957","0.3503","","","","","","1.142","","","","has coordinates,has disorder","230189","2020-10-21","18:00:00",""
"7057243","14.4657","0.0007","27.0627","0.0014","10.7356","0.0006","90","","111.244","0.003","90","","3917.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-octachloro-meso-tetraphenylporphyrinatonickel(II)","2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrinatonickel(II)","","- C44 H20 Cl8 N4 Ni -","- C44 H20 Cl8 N4 Ni -","- C176 H80 Cl32 N16 Ni4 -","4","1","","Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan","Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes","New Journal of Chemistry","2018","42","10","8190","","10.1039/C7NJ04418F","","","0.71073","MoKα","","0.0939","0.0496","","","0.1141","0.1355","","","","","","1.024","","","","has coordinates","230189","2020-10-21","18:00:00",""
"7057244","15.706","0.003","14.352","0.003","19.961","0.004","90","","107.639","0.011","90","","4287.9","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","beta-octachloro-meso-tetraphenylporphyrinatozinc(II)","2,3,7,8,12,13,17,18-octachloro-5,10,15,20-tetraphenylporphyrinatozinc(II)","","- C46 H28 Cl8 N4 O2 Zn -","- C46 H28 Cl8 N4 O2 Zn -","- C184 H112 Cl32 N16 O8 Zn4 -","4","1","","Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan","Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes","New Journal of Chemistry","2018","42","10","8190","","10.1039/C7NJ04418F","","","0.71073","MoKα","","0.0814","0.0444","","","0.104","0.1235","","","","","","1.016","","","","has coordinates,has disorder","230189","2020-10-21","18:00:00",""
"7057245","22.161","0.007","14.459","0.004","29.775","0.009","90","","105.085","0.012","90","","9212","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","beta-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)","2,3,7,8,12,13,17-heptachloro-18-nitro-5,10,15,20-tetraphenylporphyrinatozinc(II)","","- C49 H25 Cl7 N6 O2 Zn -","- C49 H25 Cl7 N5.9688 O1.9376 Zn -","- C392 H200 Cl56 N47.7504 O15.5008 Zn8 -","8","2","","Chaudhri, Nivedita; Butcher, Ray J.; Sankar, Muniappan","Synthesis and structural, photophysical, electrochemical redox and axial ligation properties of highly electron deficient perchlorometalloporphyrins and selective CN− sensing by Co(ii) complexes","New Journal of Chemistry","2018","42","10","8190","","10.1039/C7NJ04418F","","","0.71073","MoKα","","0.0941","0.0484","","","0.1054","0.1221","","","","","","1.026","","","","has coordinates,has disorder","230189","2020-10-21","18:00:00",""
"7057246","8.005","0.0003","16.0433","0.0007","15.2781","0.0006","90","","105.036","0.002","90","","1894.94","0.13","100","0.5","100","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C11 H18 Cl5 N4 O Ru S -","- C11 H18 Cl5 N4 O Ru S -","- C44 H72 Cl20 N16 O4 Ru4 S4 -","4","2","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.0186","0.0183","","","0.0398","0.04","","","","","","1.082","","","","has coordinates","230434","2020-10-21","18:00:00",""
"7057247","18.0029","0.0003","18.0029","0.0003","26.178","0.0004","90","","90","","90","","8484.4","0.2","90","0.5","90","0.5","","","","","","","","7","I 41","I 4bw","80","","","","- C16.92 H30.72 Cl3 N4 O Ru S -","- C14 H24 Cl3 N4 O Ru S -","- C224 H384 Cl48 N64 O16 Ru16 S16 -","16","2","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.035","0.0296","","","0.0686","0.0706","","","","","","1.06","","","","has coordinates","230434","2020-10-21","18:00:00",""
"7057248","8.5892","0.0003","9.0424","0.0003","13.8651","0.0005","100.203","0.002","101.533","0.002","109.326","0.002","960.57","0.06","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C13 H24 Cl3 N2 O2 Ru S2 -","- C13 H24 Cl3 N2 O2 Ru S2 -","- C26 H48 Cl6 N4 O4 Ru2 S4 -","2","1","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.0333","0.0278","","","0.0644","0.0671","","","","","","1.046","","","","has coordinates","230434","2020-10-21","18:00:00",""
"7057249","10.3555","0.0002","12.0349","0.0003","14.0087","0.0003","89.232","0.002","88.378","0.002","84.082","0.002","1735.77","0.07","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Cl3 N2 O2 Ru S2 -","- C11 H20 Cl3 N2 O2 Ru S2 -","- C44 H80 Cl12 N8 O8 Ru4 S8 -","4","2","","Meiklejohn, Victoria; Depan, Dilip; Boudreaux, Seth P.; Murru, Siva; Perkins, Richard S.; Fronczek, Frank. R.; Srivastava, Radhey S.","Ru(iii)‒TMSO complexes containing azole-based ligands: synthesis and cytotoxicity study","New Journal of Chemistry","2018","42","9","6858","","10.1039/C7NJ03267F","","","0.71073","MoKα","","0.0394","0.0333","","","0.0795","0.0842","","","","","","1.038","","","","has coordinates,has disorder","230434","2020-10-21","18:00:00",""
"7057250","11.0025","0.0008","17.0704","0.0012","18.8271","0.0013","67.686","0.001","87.664","0.001","87.07","0.002","3266.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H62 Cl6 N4 Pd -","- C77 H62 Cl6 N4 Pd -","- C154 H124 Cl12 N8 Pd2 -","2","1","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0716","0.0479","","","0.0968","0.1081","","","","","","1.04","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057251","12.6752","0.0009","13.2902","0.0009","16.9619","0.0013","92.605","0.002","108.986","0.001","107.731","0.001","2540.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H53 Cl2 N3 O2 Pd -","- C62 H53 Cl2 N3 O2 Pd -","- C124 H106 Cl4 N6 O4 Pd2 -","2","1","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0795","0.053","","","0.0922","0.1026","","","","","","1.028","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057252","9.2472","0.0004","31.4274","0.0013","17.7065","0.0008","90","","97.359","0.001","90","","5103.4","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C118 H92 Br6 Cl4 N6 Pd2 -","- C118 H92 Br6 Cl4 N6 Pd2 -","- C236 H184 Br12 Cl8 N12 Pd4 -","2","1","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0915","0.0653","","","0.158","0.1735","","","","","","1.041","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057253","9.1629","0.0005","31.1003","0.0017","17.7075","0.0009","90","","97.492","0.001","90","","5003","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47.2 H36.8 Cl4 N2.4 Pd0.8 -","- C47.2 H36.8 Cl4 N2.4 Pd0.8 -","- C236 H184 Cl20 N12 Pd4 -","5","2.5","","Han, Fangwai; Xu, Ying; Zhu, Rongjiao; Liu, Guiyan; Chen, Chen; Wang, Jianhui","Highly active NHC‒Pd(ii) complexes for cross coupling of aryl chlorides and arylboronic acids: an investigation of the effect of remote bulky groups","New Journal of Chemistry","2018","42","9","7422","","10.1039/C8NJ01047A","","","0.71073","MoKα","","0.0962","0.0606","","","0.1301","0.1467","","","","","","1.061","","","","has coordinates","230433","2020-10-21","18:00:00",""
"7057254","27.288","0.002","12.4967","0.0009","21.3304","0.0015","90","","91.548","0.004","90","","7271.2","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C85 H58 Cl4 N8 O2 S2 Zn2 -","- C85 H58 Cl4 N8 O2 S2 Zn2 -","- C340 H232 Cl16 N32 O8 S8 Zn8 -","4","0.5","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Jouaiti, Abdelaziz; Sinelshchikova, Anna A.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu.; Hosseini, Mir Wais","Molecular brakes based on the Zn(ii) porphyrin dimer","New Journal of Chemistry","2018","42","10","7816","","10.1039/C8NJ01219A","","","0.71073","MoKα","","0.1671","0.0701","","","0.1416","0.1775","","","","","","1.009","","","","has coordinates","230201","2020-10-21","18:00:00",""
"7057255","12.5752","0.001","16.1287","0.0008","23.4657","0.0019","106.012","0.001","92.051","0.002","111.422","0.002","4208.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C95.7 H67.7 Cl5.1 N12 Zn2 -","- C95.7 H67.7 Cl5.1 N12 Zn2 -","- C191.4 H135.4 Cl10.2 N24 Zn4 -","2","1","","Meshkov, Ivan N.; Bulach, Véronique; Gorbunova, Yulia G.; Jouaiti, Abdelaziz; Sinelshchikova, Anna A.; Kyritsakas, Nathalie; Grigoriev, Mikhail S.; Tsivadze, Aslan Yu.; Hosseini, Mir Wais","Molecular brakes based on the Zn(ii) porphyrin dimer","New Journal of Chemistry","2018","42","10","7816","","10.1039/C8NJ01219A","","","0.71073","MoKα","","0.177","0.0854","","","0.2322","0.2875","","","","","","1.029","","","","has coordinates","230201","2020-10-21","18:00:00",""
"7057256","21.8135","0.0005","13.0499","0.0003","37.5978","0.0007","90","","94.728","0.002","90","","10666.3","0.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C32 H116 N24 Na O82 P2 V12 W16 -","- C32 H112 N24 Na O82 P2 V12 W16 -","- C128 H448 N96 Na4 O328 P8 V48 W64 -","4","0.5","","Chen, Wu-Hua; Lai, Yu-Zhen; Hu, Zhi-Biao; Liu, Jin-Xian; Guo, Xiang-Guang; Yuan, Qiu-Lan; Zhao, Jin-Hua; Mi, Jin-Xiao; Luo, Jiang-Shui","A new redox-based and stepwise synthetic strategy lead to an unprecedented mixed-valence Keggin-type tungstovanadophosphate (WVI/VIV) bi-capped by vanadium(VIII)-complexes","New Journal of Chemistry","2018","42","11","8738","","10.1039/C8NJ00714D","","","0.71073","MoKα","","0.0631","0.0467","","","0.0691","0.0733","","","","","","1.127","","","","has coordinates","230528","2020-10-21","18:00:00",""
"7057257","16.5113","0.0003","9.2479","0.0002","25.9781","0.0005","90","","98.514","0.002","90","","3923.01","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 N3 O9 Sn3 -","- C36 H45 N3 O9 Sn3 -","- C144 H180 N12 O36 Sn12 -","4","1","","Singh, Navjot; Kumar, Keshav; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Jasinski, Jerry P.; Butcher, Ray J.","Exploration of fluorescent organotin compounds of α-amino acid Schiff bases for the detection of organophosphorous chemical warfare agents: quantification of diethylchlorophosphate","New Journal of Chemistry","2018","42","11","8756","","10.1039/C8NJ01153B","","","1.54184","CuKα","","0.0447","0.0381","","","0.0952","0.1","","","","","","1.076","","","","has coordinates","230532","2020-10-21","18:00:00",""
"7057258","11.426","0.0006","10.0261","0.0005","15.3389","0.0008","90","","97.603","0.005","90","","1741.75","0.16","173","2","173","2","","","","","","","none","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 N O4 Sn -","- C16 H25 N O4 Sn -","- C64 H100 N4 O16 Sn4 -","4","1","","Singh, Navjot; Kumar, Keshav; Srivastav, Neha; Singh, Raghubir; Kaur, Varinder; Jasinski, Jerry P.; Butcher, Ray J.","Exploration of fluorescent organotin compounds of α-amino acid Schiff bases for the detection of organophosphorous chemical warfare agents: quantification of diethylchlorophosphate","New Journal of Chemistry","2018","42","11","8756","","10.1039/C8NJ01153B","","","1.54184","CuKα","","0.0621","0.0535","","","0.1328","0.1418","","","","","","1.036","","","","has coordinates","230532","2020-10-21","18:00:00",""
"7057259","9.873","0.008","11.983","0.01","7.366","0.008","90","","105.172","0.009","90","","841.1","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Co N O6 -","- C7 H7 Co N O6 -","- C28 H28 Co4 N4 O24 -","4","0.5","","Hou, Xiangyang; Wang, Xiao; Liu, Xiangyu; Wang, Jijiang; Tang, Long; Ju, Ping","Fine-tuning the effects of auxiliary ligands on two trigonal-bipyramid cobalt(ii) complexes exhibiting field-induced slow magnetic relaxation","New Journal of Chemistry","2018","42","11","8583","","10.1039/C8NJ01201F","","","0.71073","MoKα","","0.023","0.0227","","","0.0599","0.0601","","","","","","1.174","","","","has coordinates","230519","2020-10-21","18:00:00",""
"7057260","12.804","0.002","9.8015","0.0017","12.078","0.002","90","","92.057","0.003","90","","1514.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Co N3 O6 -","- C14 H14 Co N3 O6 -","- C56 H56 Co4 N12 O24 -","4","1","","Hou, Xiangyang; Wang, Xiao; Liu, Xiangyu; Wang, Jijiang; Tang, Long; Ju, Ping","Fine-tuning the effects of auxiliary ligands on two trigonal-bipyramid cobalt(ii) complexes exhibiting field-induced slow magnetic relaxation","New Journal of Chemistry","2018","42","11","8583","","10.1039/C8NJ01201F","","","0.71073","MoKα","","0.0648","0.0372","","","0.0765","0.0862","","","","","","1.031","","","","has coordinates","230519","2020-10-21","18:00:00",""
"7057261","7.1573","0.0003","16.8141","0.0007","12.5916","0.0005","90","","99.905","0.001","90","","1492.73","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-crystal between 1-iodo-3,5-dinitrobenzene and 4-(N,N-dimethylamino)pyridine","","","- C13 H13 I N4 O4 -","- C13 H13 I N4 O4 -","- C52 H52 I4 N16 O16 -","4","1","","Nwachukwu, Chideraa I.; Kehoe, Zachary R.; Bowling, Nathan P.; Speetzen, Erin D.; Bosch, Eric","Cooperative halogen bonding and polarized π-stacking in the formation of coloured charge-transfer co-crystals","New Journal of Chemistry","2018","42","13","10615","","10.1039/C8NJ00693H","","","0.71073","MoKα","","0.0216","0.018","","","0.04","0.0421","","","","","","1.086","","","","has coordinates","230382","2020-10-21","18:00:00",""
"7057262","7.2434","0.0005","7.9376","0.0005","47.215","0.003","90","","90","","90","","2714.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co-crystal between 3-[4-(N,N-dimethylamino) phenylethynyl] pyridine and 1-(3,5-dinitrophenylethynyl)-2,3,5,6-tetrafluoro-4-iodobenzene","","","- C29 H17 F4 I N4 O4 -","- C29 H17 F4 I N4 O4 -","- C116 H68 F16 I4 N16 O16 -","4","1","","Nwachukwu, Chideraa I.; Kehoe, Zachary R.; Bowling, Nathan P.; Speetzen, Erin D.; Bosch, Eric","Cooperative halogen bonding and polarized π-stacking in the formation of coloured charge-transfer co-crystals","New Journal of Chemistry","2018","42","13","10615","","10.1039/C8NJ00693H","","","0.71073","MoKα","","0.0386","0.0368","","","0.0717","0.0724","","","","","","1.161","","","","has coordinates","230382","2020-10-21","18:00:00",""
"7057263","24.1533","0.0013","6.8223","0.0004","16.826","0.0009","90","","105.6","0.001","90","","2670.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co-crystal between 4-[4-(N,N-dimethylamino) phenylethynyl] pyridine and 1-(3,5-dinitrophenylethynyl)-2,3,5,6-tetrafluoro-4-iodobenzene","","","- C29 H17 F4 I N4 O4 -","- C29 H17 F4 I N4 O4 -","- C116 H68 F16 I4 N16 O16 -","4","1","","Nwachukwu, Chideraa I.; Kehoe, Zachary R.; Bowling, Nathan P.; Speetzen, Erin D.; Bosch, Eric","Cooperative halogen bonding and polarized π-stacking in the formation of coloured charge-transfer co-crystals","New Journal of Chemistry","2018","42","13","10615","","10.1039/C8NJ00693H","","","0.71073","MoKα","","0.0427","0.0314","","","0.0691","0.073","","","","","","1.028","","","","has coordinates","230382","2020-10-21","18:00:00",""
"7057264","7.6541","0.001","13.8231","0.0018","26.027","0.004","90","","90.058","0.002","90","","2753.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co-crystal between 2-[4-(N,N-dimethylamino) phenylethynyl] pyridine and 1-(3,5-dinitrophenylethynyl)-2,3,5,6-tetrafluoro-4-iodobenzene","","","- C29 H17 F4 I N4 O4 -","- C29 H17 F4 I N4 O4 -","- C116 H68 F16 I4 N16 O16 -","4","1","","Nwachukwu, Chideraa I.; Kehoe, Zachary R.; Bowling, Nathan P.; Speetzen, Erin D.; Bosch, Eric","Cooperative halogen bonding and polarized π-stacking in the formation of coloured charge-transfer co-crystals","New Journal of Chemistry","2018","42","13","10615","","10.1039/C8NJ00693H","","","0.71073","MoKα","","0.0487","0.0398","","","0.1077","0.1134","","","","","","1.063","","","","has coordinates","230382","2020-10-21","18:00:00",""
"7057265","9.0731","0.0007","14.0441","0.001","24.1001","0.0017","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 F6 Fe N5 O6 S2 -","- C25 H27 F6 Fe N5 O6 S2 -","- C100 H108 F24 Fe4 N20 O24 S8 -","4","1","","Du, Junyi; Zhang, Jisheng; Zhu, Jianhua; Xia, Chungu; Sun, Wei","Synthesis, characterization, and reactivity of a chiral Fe(iv)‒oxo complex bearing an l-proline-derived aminopyridine ligand","New Journal of Chemistry","2018","42","11","8315","","10.1039/C8NJ00964C","","","0.71073","MoKα","","0.043","0.04","","","0.1148","0.1186","","","","","","1.007","","","","has coordinates","230529","2020-10-21","18:00:00",""
"7057266","10.9294","0.0004","11.1711","0.0003","17.8224","0.0004","75.494","0.002","83.788","0.002","71.54","0.001","1997.24","0.1","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Cl2 Co N4 O -","- C49 H36 Cl2 Co N4 O -","- C98 H72 Cl4 Co2 N8 O2 -","2","1","","Eseola, Abiodun O.; Görls, Helmar; Bangesh, Masroor; Plass, Winfried","ESIPT-capable 2,6-di(1H-imidazol-2-yl)phenols with very strong fluorescent sensing signals towards Cr(iii), Zn(ii), and Cd(ii): molecular variation effects on turn-on efficiency","New Journal of Chemistry","2018","42","10","7884","","10.1039/C8NJ01265B","","","0.71073","MoKα","","0.0648","0.0492","","","0.0981","0.1063","","","","","","1.092","","","","has coordinates","230191","2020-10-21","18:00:00",""
"7057267","11.7841","0.0002","11.7123","0.0002","20.2881","0.0004","90","","104.441","0.001","90","","2711.67","0.09","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N4 O4 -","- C31 H32 N4 O4 -","- C124 H128 N16 O16 -","4","1","","Eseola, Abiodun O.; Görls, Helmar; Bangesh, Masroor; Plass, Winfried","ESIPT-capable 2,6-di(1H-imidazol-2-yl)phenols with very strong fluorescent sensing signals towards Cr(iii), Zn(ii), and Cd(ii): molecular variation effects on turn-on efficiency","New Journal of Chemistry","2018","42","10","7884","","10.1039/C8NJ01265B","","","0.71073","MoKα","","0.0604","0.0475","","","0.1115","0.1203","","","","","","1.069","","","","has coordinates,has disorder","230191","2020-10-21","18:00:00",""
"7057268","8.459","0.0005","32.4","0.002","8.9587","0.0005","90","","110.775","0.002","90","","2295.7","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-diphenyl-1,3,6,8-tetramethylBOPHY","","- C26 H24 B2 F4 N4 -","- C26 H24 B2 F4 N4 -","- C104 H96 B8 F16 N16 -","4","1","","Jiang, Liang; Gao, Hu; Gai, Lizhi; Shen, Zhen","J-Aggregation induced emission enhancement of a thienyl substituted bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) dye","New Journal of Chemistry","2018","42","10","8271","","10.1039/C8NJ00031J","","","0.71073","MoKα","","0.0999","0.06","","","0.1358","0.1525","","","","","","1.036","","","","has coordinates","230203","2020-10-21","18:00:00",""
"7057269","13.769","0.005","5.3789","0.0018","15.474","0.005","90","","108.141","0.005","90","","1089.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,7-dithienyl-1,3,6,8-tetramethylBOPHY","","- C22 H20 B2 F4 N4 S2 -","- C22 H20 B2 F4 N4 S2 -","- C44 H40 B4 F8 N8 S4 -","2","0.5","","Jiang, Liang; Gao, Hu; Gai, Lizhi; Shen, Zhen","J-Aggregation induced emission enhancement of a thienyl substituted bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) dye","New Journal of Chemistry","2018","42","10","8271","","10.1039/C8NJ00031J","","","0.71073","MoKα","","0.0994","0.0724","","","0.198","0.2284","","","","","","1.067","","","","has coordinates,has disorder","230203","2020-10-21","18:00:00",""
"7057270","9.4224","0.0004","12.6542","0.0007","16.5596","0.001","73.363","0.005","83.321","0.004","86.262","0.004","1877.9","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 B10 F3 N4 P -","- C36 H44 B10 F3 N4 P -","- C72 H88 B20 F6 N8 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","x-ray","1.54184","CuKα","","0.0918","0.069","","","0.1795","0.1959","","","","","","1.044","","","","has coordinates,has disorder","230526","2020-10-21","18:00:00",""
"7057271","12.8766","0.0007","12.9464","0.0004","13.7638","0.0007","83.712","0.004","80.129","0.005","71.574","0.004","2140.88","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 B10 N4 P -","- C43 H51 B10 N4 P -","- C86 H102 B20 N8 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","","0.71073","MoKα","","0.0466","0.0384","","","0.0952","0.1008","","","","","","1.032","","","","has coordinates","230526","2020-10-21","18:00:00",""
"7057272","14.90674","0.0001","15.16308","0.0001","15.28286","0.00011","90","","106.043","0.0008","90","","3319.88","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H43 B10 N4 P -","- C30 H43 B10 N4 P -","- C120 H172 B40 N16 P4 -","4","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","x-ray","1.54184","CuKα","","0.0526","0.0508","","","0.1261","0.1275","","","","","","1.129","","","","has coordinates,has disorder","230526","2020-10-21","18:00:00",""
"7057273","9.9313","0.0004","13.3634","0.0011","15.4752","0.001","73.017","0.006","85.201","0.004","69.039","0.005","1833.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H45 B10 N4 O P -","- C32 H45 B10 N4 O P -","- C64 H90 B20 N8 O2 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","","0.71073","MoKα","","0.0505","0.0417","","","0.1054","0.1125","","","","","","1.038","","","","has coordinates","230526","2020-10-21","18:00:00",""
"7057274","9.4455","0.0003","12.6195","0.0004","16.4179","0.0004","73.394","0.003","83.153","0.002","86.422","0.003","1861.15","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H44 B10 Br N4 P -","- C35 H44 B10 Br N4 P -","- C70 H88 B20 Br2 N8 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","x-ray","1.54184","CuKα","","0.0589","0.0514","","","0.1161","0.1197","","","","","","1.064","","","","has coordinates,has disorder","230526","2020-10-21","18:00:00",""
"7057275","12.081","0.0005","13.0655","0.0004","13.4841","0.0007","74.598","0.003","68.135","0.004","85.169","0.003","1904.08","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 B10 N4 O P -","- C36 H47 B10 N4 O P -","- C72 H94 B20 N8 O2 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","x-ray","1.54184","CuKα","","0.0599","0.045","","","0.1174","0.1309","","","","","","1.024","","","","has coordinates","230526","2020-10-21","18:00:00",""
"7057276","9.4763","0.0004","14.2258","0.0006","16.6196","0.0007","65.246","0.004","77.809","0.003","72.578","0.004","1931.71","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 B10 N5 P -","- C37 H48 B10 N5 P -","- C74 H96 B20 N10 P2 -","2","1","","Burianova, Valeria K.; Bolotin, Dmitrii S.; Mikherdov, Alexander S.; Novikov, Alexander S.; Mokolokolo, Pennie Petrus; Roodt, Andreas; Boyarskiy, Vadim P.; Dar’in, Dmitry; Krasavin, Mikhail; Suslonov, Vitalii V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.","Mechanism of generation of closo-decaborato amidrazones. Intramolecular non-covalent B‒H⋯π(Ph) interaction determines stabilization of the configuration around the amidrazone CN bond","New Journal of Chemistry","2018","42","11","8693","","10.1039/C8NJ01018H","","","0.71073","MoKα","","0.0527","0.0434","","","0.1089","0.1162","","","","","","1.024","","","","has coordinates","230526","2020-10-21","18:00:00",""
"7057277","4.7645","0.0003","12.5214","0.0006","16.2924","0.0008","90","","96.847","0.005","90","","965.04","0.09","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 Cu N2 O2 -","- C20 H18 Cl2 Cu N2 O2 -","- C40 H36 Cl4 Cu2 N4 O4 -","2","0.5","","Villa-Pérez, C.; Ortega, I. C.; Vélez-Macías, A.; Payán, A. M.; Echeverría, G. A.; Soria, D. B.; Valencia-Uribe, G. C.","Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline","New Journal of Chemistry","2018","42","9","7166","","10.1039/C8NJ00661J","","x-ray","1.54184","CuKα","","0.0543","0.0416","","","0.1059","0.1159","","","","","","1.05","","","","has coordinates","230431","2020-10-21","18:00:00",""
"7057278","10.3857","0.0004","15.2082","0.0006","12.566","0.0006","90","","91.344","0.004","90","","1984.23","0.14","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N2 O2 Zn -","- C20 H18 Cl2 N2 O2 Zn -","- C80 H72 Cl8 N8 O8 Zn4 -","4","1","","Villa-Pérez, C.; Ortega, I. C.; Vélez-Macías, A.; Payán, A. M.; Echeverría, G. A.; Soria, D. B.; Valencia-Uribe, G. C.","Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline","New Journal of Chemistry","2018","42","9","7166","","10.1039/C8NJ00661J","","x-ray","0.71073","MoKα","","0.0754","0.0481","","","0.1126","0.133","","","","","","1.071","","","","has coordinates","230431","2020-10-21","18:00:00",""
"7057279","7.4148","0.0003","9.4514","0.0004","15.8456","0.0009","104.57","0.004","91.426","0.004","104.996","0.004","1033.33","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl3 Co N2 O2 -","- C20 H19 Cl3 Co N2 O2 -","- C40 H38 Cl6 Co2 N4 O4 -","2","1","","Villa-Pérez, C.; Ortega, I. C.; Vélez-Macías, A.; Payán, A. M.; Echeverría, G. A.; Soria, D. B.; Valencia-Uribe, G. C.","Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline","New Journal of Chemistry","2018","42","9","7166","","10.1039/C8NJ00661J","","","0.71073","MoKα","","0.0572","0.0375","","","0.0776","0.086","","","","","","1.024","","","","has coordinates","230431","2020-10-21","18:00:00",""
"7057280","10.3725","0.0004","15.1031","0.0006","12.5383","0.0004","90","","91.77","0.003","90","","1963.27","0.13","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl2 N2 Ni O2 -","- C20 H18 Cl2 N2 Ni O2 -","- C80 H72 Cl8 N8 Ni4 O8 -","4","1","","Villa-Pérez, C.; Ortega, I. C.; Vélez-Macías, A.; Payán, A. M.; Echeverría, G. A.; Soria, D. B.; Valencia-Uribe, G. C.","Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline","New Journal of Chemistry","2018","42","9","7166","","10.1039/C8NJ00661J","","","0.71073","MoKα","","0.056","0.0363","","","0.0754","0.0861","","","","","","1.04","","","","has coordinates","230431","2020-10-21","18:00:00",""
"7057281","7.3869","0.0002","15.0294","0.0005","17.1175","0.0005","90","","98.47","0.003","90","","1879.67","0.1","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag N3 O5 -","- C20 H18 Ag N3 O5 -","- C80 H72 Ag4 N12 O20 -","4","1","","Villa-Pérez, C.; Ortega, I. C.; Vélez-Macías, A.; Payán, A. M.; Echeverría, G. A.; Soria, D. B.; Valencia-Uribe, G. C.","Crystal structure, physicochemical properties, Hirshfeld surface analysis and antibacterial activity assays of transition metal complexes of 6-methoxyquinoline","New Journal of Chemistry","2018","42","9","7166","","10.1039/C8NJ00661J","","","1.54184","CuKα","","0.0676","0.0546","","","0.1461","0.1535","","","","","","1.128","","","","has coordinates","230431","2020-10-21","18:00:00",""
"7057282","12.9014","0.0002","16.0841","0.0004","18.1379","0.0004","79.028","0.002","83.942","0.002","67.838","0.002","3419.61","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H10 F10 I4 N2 O -","- C32 H10 F10 I4 N2 O -","- C128 H40 F40 I16 N8 O4 -","4","2","","Stoesser, J.; Rojas, G.; Bulfield, D.; Hidalgo, P. I.; Pasán, J.; Ruiz-Pérez, C.; Jiménez, C. A.; Huber, S. M.","Halogen bonding two-point recognition with terphenyl derivatives","New Journal of Chemistry","2018","42","13","10476","","10.1039/C8NJ00962G","","x-ray","1.54184","CuKα","","0.0434","0.0378","","","0.1014","0.1078","","","","","","1.025","","","","has coordinates","230371","2020-10-21","18:00:00",""
"7057283","11.0666","0.0003","11.7332","0.0003","22.9011","0.0006","90.76","0.002","99.48","0.002","98.949","0.002","2895.01","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H12 F20 I8 N2 O -","- C51 H12 F20 I8 N2 O -","- C102 H24 F40 I16 N4 O2 -","2","1","","Stoesser, J.; Rojas, G.; Bulfield, D.; Hidalgo, P. I.; Pasán, J.; Ruiz-Pérez, C.; Jiménez, C. A.; Huber, S. M.","Halogen bonding two-point recognition with terphenyl derivatives","New Journal of Chemistry","2018","42","13","10476","","10.1039/C8NJ00962G","","x-ray","0.71073","MoKα","","0.0806","0.0487","","","0.0973","0.1116","","","","","","1.009","","","","has coordinates","230371","2020-10-21","18:00:00",""
"7057284","22.513","0.009","13.334","0.005","17.261","0.007","90","","90","","90","","5182","4","123","2","123","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C59.73 H64 Cl0.27 N1.74 O2 P4 Ru -","- C59.736 H64 Cl0.264 N1.736 O2 P4 Ru -","- C238.944 H256 Cl1.056 N6.944 O8 P16 Ru4 -","4","0.5","","Wang, Yong; Zhu, Xiaoquan; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, and magnetic properties of cyanide-bridged complexestrans-RuII(dppe)2(CN)2(FeIIIX3)2(X = Cl and Br)","New Journal of Chemistry","2018","42","11","9051","","10.1039/C7NJ05048H","","","0.71073","MoKα","","0.0375","0.0363","","","0.0952","0.0963","","","","","","1.007","","","","has coordinates,has disorder","230537","2020-10-21","18:00:00",""
"7057285","10.55","0.003","17.457","0.004","14.548","0.004","90","","97.216","0.004","90","","2658.1","1.2","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53.71 H48 Cl6.3 Fe2 N1.71 P4 Ru -","- C53.702 H48 Cl6.298 Fe2 N1.702 P4 Ru -","- C107.404 H96 Cl12.596 Fe4 N3.404 P8 Ru2 -","2","0.5","","Wang, Yong; Zhu, Xiaoquan; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, and magnetic properties of cyanide-bridged complexestrans-RuII(dppe)2(CN)2(FeIIIX3)2(X = Cl and Br)","New Journal of Chemistry","2018","42","11","9051","","10.1039/C7NJ05048H","","","0.71073","MoKα","","0.0435","0.038","","","0.1045","0.1074","","","","","","1.014","","","","has coordinates,has disorder","230537","2020-10-21","18:00:00",""
"7057286","11.495","0.004","11.698","0.004","12.087","0.005","109.785","0.003","103.35","0.003","103.136","0.003","1402.8","0.9","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H48 Br6 Fe2 N2 O0 P4 Ru -","- C54 H48 Br6 Fe2 N2 P4 Ru -","- C54 H48 Br6 Fe2 N2 P4 Ru -","1","0.5","","Wang, Yong; Zhu, Xiaoquan; Sheng, Tianlu; Wu, Xintao","Syntheses, crystal structures, and magnetic properties of cyanide-bridged complexestrans-RuII(dppe)2(CN)2(FeIIIX3)2(X = Cl and Br)","New Journal of Chemistry","2018","42","11","9051","","10.1039/C7NJ05048H","","","0.71073","MoKα","","0.0376","0.0358","","","0.0971","0.099","","","","","","1.008","","","","has coordinates","230537","2020-10-21","18:00:00",""
"7057287","4.9412","0.0003","16.3951","0.0011","16.2626","0.0011","90","","92.079","0.002","90","","1316.59","0.15","102","2","102","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","13-imino-7,13-dihydro-6H-quinazolino[3,4-a]quinazolin-6-one","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.","One step synthesis of a fused four-ring heterocycle","New Journal of Chemistry","2018","42","9","7125","","10.1039/C8NJ00629F","","","0.71073","MoKα","","0.0746","0.0522","","","0.1368","0.1493","","","","","","1.057","","","","has coordinates","230446","2020-10-21","18:00:00",""
"7057288","8.1277","0.0016","10.499","0.002","11.58","0.002","73.55","0.03","82.97","0.03","73.6","0.03","908.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 N2 O Pt S -","- C19 H20 N2 O Pt S -","- C38 H40 N4 O2 Pt2 S2 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Kia, Reza; Halvagar, Mohammad Reza; Raithby, Paul R.","Reactivity of a new aryl cycloplatinated(ii) complex containing rollover 2,2′-bipyridine N-oxide toward a series of diphosphine ligands","New Journal of Chemistry","2018","42","11","9159","","10.1039/C8NJ00713F","","","0.71073","MoKα","","0.0831","0.0475","","","0.0897","0.0969","","","","","","0.877","","","","has coordinates","230521","2020-10-21","18:00:00",""
"7057289","9.0415","0.0003","9.8123","0.0003","19.3945","0.0006","90.271","0.003","92.925","0.003","92.873","0.003","1716.19","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 N2 O P2 Pt -","- C42 H36 N2 O P2 Pt -","- C84 H72 N4 O2 P4 Pt2 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Kia, Reza; Halvagar, Mohammad Reza; Raithby, Paul R.","Reactivity of a new aryl cycloplatinated(ii) complex containing rollover 2,2′-bipyridine N-oxide toward a series of diphosphine ligands","New Journal of Chemistry","2018","42","11","9159","","10.1039/C8NJ00713F","","","1.54184","CuKα","","0.0408","0.0392","","","0.1032","0.1043","","","","","","1.114","","","","has coordinates","230521","2020-10-21","18:00:00",""
"7057290","12.7963","0.0004","16.9607","0.0005","17.2418","0.0005","112.543","0.003","106.309","0.003","91.346","0.002","3280.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H68 N4 O2 P2 Pt2 -","- C67 H68 N4 O2 P2 Pt2 -","- C134 H136 N8 O4 P4 Pt4 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Kia, Reza; Halvagar, Mohammad Reza; Raithby, Paul R.","Reactivity of a new aryl cycloplatinated(ii) complex containing rollover 2,2′-bipyridine N-oxide toward a series of diphosphine ligands","New Journal of Chemistry","2018","42","11","9159","","10.1039/C8NJ00713F","","","1.54184","CuKα","","0.0353","0.0317","","","0.0813","0.0849","","","","","","1.021","","","","has coordinates,has disorder","230521","2020-10-21","18:00:00",""
"7057291","11.856","0.009","12.742","0.003","18.406","0.004","78.96","0.02","77.62","0.04","80.6","0.04","2644","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 Cl2 N4 O2 P2 Pt2 -","- C60 H52 Cl2 N4 O2 P2 Pt2 -","- C120 H104 Cl4 N8 O4 P4 Pt4 -","2","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Kia, Reza; Halvagar, Mohammad Reza; Raithby, Paul R.","Reactivity of a new aryl cycloplatinated(ii) complex containing rollover 2,2′-bipyridine N-oxide toward a series of diphosphine ligands","New Journal of Chemistry","2018","42","11","9159","","10.1039/C8NJ00713F","","","0.71073","MoKα","","0.1049","0.0604","","","0.0702","0.0828","","","","","","1.005","","","","has coordinates","230521","2020-10-21","18:00:00",""
"7057292","8.7873","0.0001","9.6637","0.0001","36.9535","0.0005","90","","90","","90","","3138.01","0.06","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H14 N2 -","- C23 H14 N2 -","- C184 H112 N16 -","8","1","","Kushwaha, Archana; Patil, Sagar K.; Das, Dipanwita","A pyrene-benzimidazole composed effective fluoride sensor: potential mimicking of a Boolean logic gate","New Journal of Chemistry","2018","42","11","9200","","10.1039/C8NJ01011K","","","1.54178","CuKα","","0.0555","0.041","","","0.0991","0.1081","","","","","","1.028","","","","has coordinates","230523","2020-10-21","18:00:00",""
"7057293","6.7641","0.0008","11.5087","0.0012","17.8781","0.0019","90","","94.172","0.011","90","","1388.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cu N6 O2 -","- C12 H18 Cu N6 O2 -","- C48 H72 Cu4 N24 O8 -","4","1","","Mondal, Satyajit; Chakraborty, Moumita; Mondal, Antu; Pakhira, Bholanath; Blake, Alexander J.; Sinn, Ekkehard; Chattopadhyay, Shyamal Kumar","Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity","New Journal of Chemistry","2018","42","12","9588","","10.1039/C8NJ00418H","","x-ray","1.54184","CuKα","","0.0318","0.0292","","","0.082","0.0842","","","","","","1.08","","","","has coordinates","230555","2020-10-21","18:00:00",""
"7057294","11.2788","0.0004","10.1456","0.0004","14.1768","0.0005","90","","112.976","0.002","90","","1493.56","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu2L2(NCS)2","","","- C13 H18 Cu N4 O2 S -","- C13 H18 Cu N4 O2 S -","- C52 H72 Cu4 N16 O8 S4 -","4","1","","Mondal, Satyajit; Chakraborty, Moumita; Mondal, Antu; Pakhira, Bholanath; Blake, Alexander J.; Sinn, Ekkehard; Chattopadhyay, Shyamal Kumar","Cu(ii) complexes of a tridentate N,N,O-donor Schiff base of pyridoxal: synthesis, X-ray structures, DNA-binding properties and catecholase activity","New Journal of Chemistry","2018","42","12","9588","","10.1039/C8NJ00418H","","","0.71073","MoKα","","0.0851","0.0479","","","0.0997","0.1151","","","","","","1.057","","","","has coordinates","230555","2020-10-21","18:00:00",""
"7057295","8.6876","0.0006","8.8285","0.0006","11.1967","0.0005","74.149","0.005","89.728","0.005","78.065","0.006","807.03","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Co N8 O8 -","- C32 H36 Co N8 O8 -","- C32 H36 Co N8 O8 -","1","0.5","","Liu, Xiangyu; Ma, Xiufang; Cen, Peipei; An, Fengqing; Wang, Zheng; Song, Weiming; Zhang, Yi-Quan","One-dimensional cobalt(ii) coordination polymer featuring single-ion-magnet-type field-induced slow magnetic relaxation","New Journal of Chemistry","2018","42","12","9612","","10.1039/C8NJ01236A","","","0.71073","MoKα","","0.0421","0.0348","","","0.0814","0.0862","","","","","","1.07","","","","has coordinates","230548","2020-10-21","18:00:00",""
"7057296","12.519","0.002","14.724","0.002","13.436","0.002","90","","117.48","0.004","90","","2197.2","0.6","257","2","257","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H35 Cl Mn2 N6 O10.5 -","- C40 H35 Cl Mn2 N6 O10.5 -","- C80 H70 Cl2 Mn4 N12 O21 -","2","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Ghosh, Ashutosh","The first alternating MnII‒MnIII 1D chain: structure, magnetic properties and catalytic oxidase activities","New Journal of Chemistry","2018","42","12","9517","","10.1039/C8NJ00414E","","","0.71073","MoKα","","0.0716","0.0473","","","0.1107","0.1286","","","","","","1.017","","","","has coordinates","230550","2020-10-21","18:00:00",""
"7057297","11.9069","0.0009","15.0564","0.001","22.5926","0.0015","88.786","0.003","79.733","0.003","82.636","0.003","3952.6","0.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H34 Au B Cl O2 P -","- C26 H34 Au B Cl O2 P -","- C156 H204 Au6 B6 Cl6 O12 P6 -","6","3","","Song, Liubing; Ma, Xufeng; Xu, Sheng; Shi, Min; Zhang, Jun","Regiospecific and stereoselective synthesis of (E)- and (Z)-2-phosphino-1-alkenyl boronates via Cu-catalyzed hydroboration of alkynylphosphines","New Journal of Chemistry","2018","42","11","8342","","10.1039/C8NJ00892B","","","0.71073","MoKα","","0.0417","0.0339","","","0.0778","0.0826","","","","","","0.959","","","","has coordinates,has disorder","230540","2020-10-21","18:00:00",""
"7057298","11.42","0.014","7.124","0.01","29.97","0.03","90","","94.83","0.03","90","","2430","5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 B O2 P -","- C26 H28 B O2 P -","- C104 H112 B4 O8 P4 -","4","1","","Song, Liubing; Ma, Xufeng; Xu, Sheng; Shi, Min; Zhang, Jun","Regiospecific and stereoselective synthesis of (E)- and (Z)-2-phosphino-1-alkenyl boronates via Cu-catalyzed hydroboration of alkynylphosphines","New Journal of Chemistry","2018","42","11","8342","","10.1039/C8NJ00892B","","","0.71073","MoKα","","0.0867","0.059","","","0.1706","0.197","","","","","","1.064","","","","has coordinates,has disorder","230540","2020-10-21","18:00:00",""
"7057299","13.7594","0.0006","10.0335","0.0004","20.6008","0.0009","90","","91.401","0.001","90","","2843.2","0.2","173","2","172.98","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H32 Au B Cl O2 P -","- C29.5 H32 Au B Cl O2 P -","- C118 H128 Au4 B4 Cl4 O8 P4 -","4","1","","Song, Liubing; Ma, Xufeng; Xu, Sheng; Shi, Min; Zhang, Jun","Regiospecific and stereoselective synthesis of (E)- and (Z)-2-phosphino-1-alkenyl boronates via Cu-catalyzed hydroboration of alkynylphosphines","New Journal of Chemistry","2018","42","11","8342","","10.1039/C8NJ00892B","","","0.71073","MoKα","","0.0639","0.0478","","","0.0799","0.0853","","","","","","1.119","","","","has coordinates,has disorder","230540","2020-10-21","18:00:00",""
"7057300","10.6513","0.0012","10.9291","0.0012","11.0788","0.001","76.066","0.005","61.595","0.005","79.713","0.005","1097.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H34 B9 N -","- C18 H34 B9 N -","- C36 H68 B18 N2 -","2","1","","Tok, Oleg L.; Holub, Josef; Růžička, Aleš; Růžičková, Zdeńka; Štíbr, Bohumil","Direct synthesis of dicarbollides","New Journal of Chemistry","2018","42","11","8524","","10.1039/C8NJ00819A","","","0.71073","MoKα","","0.1257","0.0906","","","0.2266","0.2508","","","","","","1.086","","","","has coordinates,has disorder","230525","2020-10-21","18:00:00",""
"7057301","16.1704","0.0008","9.1463","0.0006","14.3457","0.0009","90","","101.748","0.002","90","","2077.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H36 B9 N Si -","- C11 H36 B9 N Si -","- C44 H144 B36 N4 Si4 -","4","1","","Tok, Oleg L.; Holub, Josef; Růžička, Aleš; Růžičková, Zdeńka; Štíbr, Bohumil","Direct synthesis of dicarbollides","New Journal of Chemistry","2018","42","11","8524","","10.1039/C8NJ00819A","","","0.71073","MoKα","","0.14","0.0787","","","0.1489","0.1775","","","","","","1.126","","","","has coordinates,has disorder","230525","2020-10-21","18:00:00",""
"7057302","12.4872","0.0003","12.6637","0.0002","26.281","0.0006","90","","90.303","0.001","90","","4155.87","0.15","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H94 Co7 N6 O36 P6 -","- C60 H90 Co7 N6 O36 P6 -","- C120 H180 Co14 N12 O72 P12 -","2","0.5","","Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Görls, Helmar; Plass, Winfried; Pinkas, Jiri","New molecular heptanuclear cobalt phosphonates: synthesis, structures and magnetic properties","New Journal of Chemistry","2018","42","12","9568","","10.1039/C8NJ00902C","","","0.71073","MoKα","","0.0559","0.0425","","","0.082","0.0869","","","","","","1.117","","","","has coordinates,has disorder","230554","2020-10-21","18:00:00",""
"7057303","14.0925","0.0005","6.377","0.0002","17.1294","0.0008","90","","96.476","0.004","90","","1529.56","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N Na2 O6 P -","- C11 H18 N Na2 O6 P -","- C44 H72 N4 Na8 O24 P4 -","4","1","","Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Görls, Helmar; Plass, Winfried; Pinkas, Jiri","New molecular heptanuclear cobalt phosphonates: synthesis, structures and magnetic properties","New Journal of Chemistry","2018","42","12","9568","","10.1039/C8NJ00902C","","","0.71073","MoKα","","0.0593","0.0526","","","0.1432","0.1488","","","","","","1.064","","","","has coordinates","230554","2020-10-21","18:00:00",""
"7057304","13.7963","0.0001","12.3981","0.0001","26.5916","0.0003","90","","93.839","0.001","90","","4538.23","0.07","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H110 Co7 N6 O34 P6 -","- C70 H110 Co7 N6 O34 P6 -","- C140 H220 Co14 N12 O68 P12 -","2","0.5","","Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Görls, Helmar; Plass, Winfried; Pinkas, Jiri","New molecular heptanuclear cobalt phosphonates: synthesis, structures and magnetic properties","New Journal of Chemistry","2018","42","12","9568","","10.1039/C8NJ00902C","","","0.71075","MolybdenumKα","","0.0482","0.0468","","","0.1043","0.1048","","","","","","1.242","","","","has coordinates,has disorder","230554","2020-10-21","18:00:00",""
"7057305","12.1158","0.0002","14.6175","0.0004","15.4567","0.0004","64.6","0.003","83.962","0.002","82.937","0.002","2449.84","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H114 Co7 N6 Na4 O36 P6 -","- C72 H114 Co7 N6 Na4 O36 P6 -","- C72 H114 Co7 N6 Na4 O36 P6 -","1","0.5","","Doroshenko, Iaroslav; Babiak, Michal; Buchholz, Axel; Görls, Helmar; Plass, Winfried; Pinkas, Jiri","New molecular heptanuclear cobalt phosphonates: synthesis, structures and magnetic properties","New Journal of Chemistry","2018","42","12","9568","","10.1039/C8NJ00902C","","","0.71073","MoKα","","0.0284","0.0262","","","0.0699","0.0712","","","","","","1.022","","","","has coordinates","230554","2020-10-21","18:00:00",""
"7057306","9.561","0.0005","15.4452","0.0008","19.6813","0.0011","90","","97.79","0.002","90","","2879.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Cl6 N2 W -","- C25 H35 Cl6 N2 W -","- C100 H140 Cl24 N8 W4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio","Activation of CN bonds by high-valent group 6 metal chlorides, including the conversion of an α-diimine into a functionalized imidazolium","New Journal of Chemistry","2018","42","11","8503","","10.1039/C8NJ00846A","","","0.71073","MoKα","","0.0618","0.0528","","","0.1094","0.1132","","","","","","1.151","","","","has coordinates,has disorder","230544","2020-10-21","18:00:00",""
"7057307","10.7612","0.0017","21.413","0.003","8.0173","0.0012","90","","99.973","0.002","90","","1819.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cl5 Mo N2 -","- C15 H14 Cl5 Mo N2 -","- C60 H56 Cl20 Mo4 N8 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio","Activation of CN bonds by high-valent group 6 metal chlorides, including the conversion of an α-diimine into a functionalized imidazolium","New Journal of Chemistry","2018","42","11","8503","","10.1039/C8NJ00846A","","","0.71073","MoKα","","0.024","0.0212","","","0.0516","0.0527","","","","","","1.066","","","","has coordinates","230544","2020-10-21","18:00:00",""
"7057308","8.3116","0.0004","18.5141","0.0009","22.4919","0.0011","90","","97.532","0.003","90","","3431.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl6 N3 W -","- C28 H30 Cl6 N3 W -","- C112 H120 Cl24 N12 W4 -","4","1","","Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio","Activation of CN bonds by high-valent group 6 metal chlorides, including the conversion of an α-diimine into a functionalized imidazolium","New Journal of Chemistry","2018","42","11","8503","","10.1039/C8NJ00846A","","","0.71073","MoKα","","0.0412","0.0304","","","0.0696","0.0746","","","","","","1.02","","","","has coordinates","230544","2020-10-21","18:00:00",""
"7057309","9.2011","0.0003","21.4308","0.0006","14.8258","0.0004","90","","94.433","0.001","90","","2914.71","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Cu F6 N4 O2 Sb -","- C22 H42 Cu F6 N4 O2 Sb -","- C88 H168 Cu4 F24 N16 O8 Sb4 -","4","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0408","0.0356","","","0.0914","0.0952","","","","","","1.04","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057310","10.0469","0.0003","14.8274","0.0004","15.8106","0.0004","108.077","0.001","90.643","0.002","92.875","0.001","2235.33","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H58 Cu2 F12 N6 O2 Sb2 -","- C32 H58 Cu2 F12 N6 O2 Sb2 -","- C64 H116 Cu4 F24 N12 O4 Sb4 -","2","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0359","0.0325","","","0.0718","0.0732","","","","","","1.052","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057311","8.7738","0.0011","25.446","0.003","12.7528","0.0015","90","","105.723","0.007","90","","2740.6","0.6","116","2","116","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 Cu F3 N6 O4 S -","- C21 H40 Cu F3 N6 O4 S -","- C84 H160 Cu4 F12 N24 O16 S4 -","4","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0309","0.0276","","","0.0724","0.0744","","","","","","1.038","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057312","11.8998","0.0004","25.1515","0.0009","8.3707","0.0003","90","","97.987","0.003","90","","2481.03","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cu F6 N4 O Sb -","- C18 H34 Cu F6 N4 O Sb -","- C72 H136 Cu4 F24 N16 O4 Sb4 -","4","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0387","0.0338","","","0.0827","0.085","","","","","","1.048","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057313","14.7346","0.0003","10.1121","0.0002","17.0163","0.0004","90","","101.022","0.001","90","","2488.62","0.09","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H76 Cu2 F12 N6 O Sb2 -","- C34 H76 Cu2 F12 N6 O Sb2 -","- C68 H152 Cu4 F24 N12 O2 Sb4 -","2","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0309","0.0272","","","0.0536","0.0548","","","","","","0.981","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057314","14.4829","0.0004","14.68","0.0003","18.7395","0.0005","90","","107.688","0.003","90","","3795.83","0.18","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H53 Cu2 F6 N5 O7 S2 -","- C28 H53 Cu2 F6 N5 O7 S2 -","- C112 H212 Cu8 F24 N20 O28 S8 -","4","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","x-ray","1.54184","CuKα","","0.0938","0.0729","","","0.195","0.2066","","","","","","1.111","","","","has coordinates,has disorder","230200","2020-10-21","18:00:00",""
"7057315","9.6745","0.0001","15.6108","0.0001","16.0592","0.0001","90","","98.085","0.001","90","","2401.26","0.03","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Cu F3 N5 O4 S -","- C18 H33 Cu F3 N5 O4 S -","- C72 H132 Cu4 F12 N20 O16 S4 -","4","1","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","1.54178","CuKα","","0.0265","0.0237","","","0.0623","0.0644","","","","","","1.062","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057316","20.2536","0.0005","13.1606","0.0003","7.46","0.0002","90","","90","","90","","1988.46","0.09","110","2","110","2","","","","","","","","7","P m m a","-P 2a 2a","51","","","","- C24 H58 Cu2 F12 N4 O3 Sb2 -","- C24 H58 Cu2 F12 N4 O3 Sb2 -","- C48 H116 Cu4 F24 N8 O6 Sb4 -","2","0.25","","Effaty, F.; Zsombor-Pindera, J.; Kazakova, A.; Girard, B.; Askari, M. S.; Ottenwaelder, X.","Ligand and electronic effects on copper‒arylnitroso self-assembly","New Journal of Chemistry","2018","42","10","7758","","10.1039/C8NJ00894A","","","0.71073","MoKα","","0.0348","0.0249","","","0.0783","0.1033","","","","","","1.191","","","","has coordinates","230200","2020-10-21","18:00:00",""
"7057317","7.8946","0.0014","11.285","0.002","12.653","0.002","71.043","0.003","82.806","0.003","79.02","0.003","1044.2","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cd3 N18 O16 -","- C32 H24 Cd3 N18 O16 -","- C32 H24 Cd3 N18 O16 -","1","0.5","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0441","0.0407","","","0.1316","0.138","","","","","","1.07","","","","has coordinates,has disorder","230547","2020-10-21","18:00:00",""
"7057318","11.912","0.003","7.1031","0.0016","11.937","0.003","90","","117.307","0.003","90","","897.5","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N8 O6 -","- C16 H14 Cd N8 O6 -","- C32 H28 Cd2 N16 O12 -","2","0.5","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0345","0.023","","","0.0578","0.0613","","","","","","1.065","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057319","7.424","0.004","7.953","0.004","8.914","0.005","84.268","0.009","75.599","0.008","69.632","0.008","477.8","0.4","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N8 O8 Zn -","- C16 H18 N8 O8 Zn -","- C16 H18 N8 O8 Zn -","1","0.5","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.033","0.0326","","","0.0998","0.1014","","","","","","1.189","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057320","4.8806","0.0017","10.996","0.005","16.601","0.006","84.703","0.008","86.468","0.006","82.964","0.004","879.3","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N8 O5 Pb -","- C16 H12 N8 O5 Pb -","- C32 H24 N16 O10 Pb2 -","2","1","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0374","0.0325","","","0.0882","0.0922","","","","","","1.063","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057321","7.9062","0.0019","9.834","0.002","13.463","0.003","82.568","0.004","84.625","0.004","69.059","0.004","968.1","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 N4 O10 Zn2 -","- C17 H12 N4 O10 Zn2 -","- C34 H24 N8 O20 Zn4 -","2","1","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0907","0.053","","","0.1173","0.1452","","","","","","1.037","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057322","7.127","0.003","9.93","0.004","10.576","0.004","113.286","0.006","106.951","0.006","97.512","0.005","631.3","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 N5 O7 Pb -","- C8 H9 N5 O7 Pb -","- C16 H18 N10 O14 Pb2 -","2","1","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0631","0.0479","","","0.119","0.1249","","","","","","0.996","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057323","9.0473","0.0019","9.988","0.002","10.079","0.002","75.074","0.003","67.585","0.003","82.372","0.004","813","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N4 O7 Zn -","- C16 H12 N4 O7 Zn -","- C32 H24 N8 O14 Zn2 -","2","1","","Yan, Yang-Tian; Cao, Feng; Zhang, Wen-Yan; Zhang, Si-Si; Zhang, Fang; Wang, Yao-Yu","Seven luminescent metal‒organic frameworks constructed from 5-(triazol-1-yl)nicotinic acid: luminescent sensors for CrVI and MnO4− ions in an aqueous medium","New Journal of Chemistry","2018","42","12","9865","","10.1039/C8NJ01144C","","","0.71073","MoKα","","0.0487","0.0381","","","0.1008","0.1098","","","","","","1.07","","","","has coordinates","230547","2020-10-21","18:00:00",""
"7057324","17.5732","0.0007","9.6424","0.0003","21.3195","0.0007","90","","96.023","0.003","90","","3592.6","0.2","150","2","149.94","0.13","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Fe Ni O2 P2 S2 -","- C40 H34 Fe Ni O2 P2 S2 -","- C160 H136 Fe4 Ni4 O8 P8 S8 -","4","1","","Singh, Amita; Singh, Pooja; Kociok-Köhn, Gabriele; Trivedi, Manoj; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit B.; Terashima, Chiaki; Gosavi, Suresh W.; Fujishima, Akira","1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells","New Journal of Chemistry","2018","42","11","9306","","10.1039/C8NJ00855H","","x-ray","0.71073","MoKα","","0.0681","0.0584","","","0.1259","0.1299","","","","","","1.192","","","","has coordinates","230531","2020-10-21","18:00:00",""
"7057325","10.6461","0.0004","11.3737","0.0004","13.8985","0.0005","88.555","0.003","75.444","0.003","77.432","0.003","1589.09","0.1","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36 H29 Fe N Ni O2 P2 S2 -","- C36 H29 Fe N Ni O2 P2 S2 -","- C72 H58 Fe2 N2 Ni2 O4 P4 S4 -","2","1","","Singh, Amita; Singh, Pooja; Kociok-Köhn, Gabriele; Trivedi, Manoj; Kumar, Abhinav; Chauhan, Ratna; Rane, Sunit B.; Terashima, Chiaki; Gosavi, Suresh W.; Fujishima, Akira","1,1′-Bis(diphenylphosphino)ferrocene-appended nickel(ii) dithiolates as sensitizers in dye-sensitized solar cells","New Journal of Chemistry","2018","42","11","9306","","10.1039/C8NJ00855H","","x-ray","0.71073","MoKα","","0.056","0.0416","","","0.0906","0.0973","","","","","","1.027","","","","has coordinates","230531","2020-10-21","18:00:00",""
"7057326","7.6493","0.0016","10.071","0.002","11.83","0.003","106.526","0.003","101.205","0.003","101.095","0.003","826.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Eu N2 O11 -","- C14 H13 Eu N2 O11 -","- C28 H26 Eu2 N4 O22 -","2","1","","Tong, Wen-Quan; Liu, Ting-Ting; Li, Gao-Peng; Liang, Ji-Ye; Hou, Lei; Wang, Yao-Yu","Three new super water-stable lanthanide‒organic frameworks for luminescence sensing and magnetic properties","New Journal of Chemistry","2018","42","11","9221","","10.1039/C8NJ00348C","","","0.71073","MoKα","","0.062","0.0472","","","0.1375","0.2192","","","","","","1.032","","","","has coordinates","230541","2020-10-21","18:00:00",""
"7057327","7.62","0.002","9.981","0.003","11.786","0.003","106.506","0.004","101.369","0.004","100.51","0.004","815","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Dy N2 O11 -","- C14 H13 Dy N2 O11 -","- C28 H26 Dy2 N4 O22 -","2","1","","Tong, Wen-Quan; Liu, Ting-Ting; Li, Gao-Peng; Liang, Ji-Ye; Hou, Lei; Wang, Yao-Yu","Three new super water-stable lanthanide‒organic frameworks for luminescence sensing and magnetic properties","New Journal of Chemistry","2018","42","11","9221","","10.1039/C8NJ00348C","","","0.71073","MoKα","","0.037","0.0305","","","0.0748","0.1062","","","","","","1.251","","","","has coordinates","230541","2020-10-21","18:00:00",""
"7057328","7.5917","0.001","9.9747","0.0013","11.764","0.0015","106.537","0.002","101.239","0.002","100.824","0.002","809.08","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O11 Tb -","- C14 H13 N2 O11 Tb -","- C28 H26 N4 O22 Tb2 -","2","1","","Tong, Wen-Quan; Liu, Ting-Ting; Li, Gao-Peng; Liang, Ji-Ye; Hou, Lei; Wang, Yao-Yu","Three new super water-stable lanthanide‒organic frameworks for luminescence sensing and magnetic properties","New Journal of Chemistry","2018","42","11","9221","","10.1039/C8NJ00348C","","","0.71073","MoKα","","0.0247","0.024","","","0.0715","0.0738","","","","","","1.128","","","","has coordinates","230541","2020-10-21","18:00:00",""
"7057329","22.693","0.004","7.2234","0.0011","14.941","0.003","90","","131.136","0.008","90","","1844.6","0.6","115","","115","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C11 H28 B11 N -","- C11 H28 B11 N -","- C44 H112 B44 N4 -","4","1","","Švec, Petr; Cattey, Hélène; Růžičková, Zdeňka; Holub, Josef; Růžička, Aleš; Plasseraud, Laurent","Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster","New Journal of Chemistry","2018","42","10","8253","","10.1039/C7NJ05058E","","x-ray","0.71073","MoKα","","0.0432","0.039","","","0.0937","0.0966","","","","","","1.024","","","","has coordinates","230183","2020-10-21","18:00:00",""
"7057330","13.205","0.002","20.512","0.003","24.867","0.0012","88.883","0.007","88.07","0.006","87.94","0.011","6726.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H220 B22 O16 Sn10 -","- C90 H219 B22 O16 Sn10 -","- C180 H438 B44 O32 Sn20 -","2","1","","Švec, Petr; Cattey, Hélène; Růžičková, Zdeňka; Holub, Josef; Růžička, Aleš; Plasseraud, Laurent","Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster","New Journal of Chemistry","2018","42","10","8253","","10.1039/C7NJ05058E","","","0.71073","MoKα","","0.1288","0.0823","","","0.2125","0.2803","","","","","","1.163","","","","has coordinates,has disorder","230183","2020-10-21","18:00:00",""
"7057331","12.057","0.0006","12.282","0.0006","13.627","0.0012","103.857","0.006","105.667","0.006","94.144","0.005","1866.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 B F15 N O Sn -","- C38 H38 B F15 N O Sn -","- C76 H76 B2 F30 N2 O2 Sn2 -","2","1","","Švec, Petr; Cattey, Hélène; Růžičková, Zdeňka; Holub, Josef; Růžička, Aleš; Plasseraud, Laurent","Triorganotin(iv) cation-promoted dimethyl carbonate synthesis from CO2and methanol: solution and solid-state characterization of an unexpected diorganotin(iv)-oxo cluster","New Journal of Chemistry","2018","42","10","8253","","10.1039/C7NJ05058E","","","0.71073","MoKα","","0.0395","0.0311","","","0.0737","0.081","","","","","","1.116","","","","has coordinates","230183","2020-10-21","18:00:00",""
"7057332","33.823","0.002","13.7794","0.001","12.245","0.0009","90","","109.097","0.0009","90","","5392.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Ho N9 O6 -","- C66 H42 Ho N9 O6 -","- C264 H168 Ho4 N36 O24 -","4","0.5","","Dong, Dapeng; Li, Zhenghua; Liu, Dedi; Yu, Naisen; Zhao, Haiyan; Chen, Huiying; Liu, Jia; Liu, Dongping","Postsynthetic modification of single Pd sites into uncoordinated polypyridine groups of a MOF as the highly efficient catalyst for Heck and Suzuki reactions","New Journal of Chemistry","2018","42","11","9317","","10.1039/C8NJ00518D","","","0.71073","MoKα","","0.0312","0.0275","","","0.0702","0.0716","","","","","","1.083","","","","has coordinates","230522","2020-10-21","18:00:00",""
"7057333","20.3385","0.0007","17.4098","0.0006","18.5302","0.0006","90","","117.635","0.002","90","","5812.8","0.4","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H94 N8 Ni O8 -","- C52 H94 N8 Ni O8 -","- C208 H376 N32 Ni4 O32 -","4","0.5","","Das, Kuheli; Beyene, Belete B.; Datta, Amitabha; Garribba, Eugenio; Roma-Rodrigues, Catarina; Silva, Ana; Fernandes, Alexandra R.; Hung, Chen-Hsiung","EPR and electrochemical interpretation of bispyrazolylacetate anchored Ni(ii) and Mn(ii) complexes: cytotoxicity and anti-proliferative activity towards human cancer cell lines","New Journal of Chemistry","2018","42","11","9126","","10.1039/C8NJ01033A","","","0.71073","MoKα","","0.0571","0.0418","","","0.0949","0.1038","","","","","","1.034","","","","has coordinates,has disorder","230535","2020-10-21","18:00:00",""
"7057334","11.7263","0.0004","16.4104","0.0006","17.1352","0.0006","66.452","0.002","79.714","0.002","79.713","0.002","2953.12","0.19","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H96 Mn N8 O10 -","- C51 H96 Mn N8 O10 -","- C102 H192 Mn2 N16 O20 -","2","1","","Das, Kuheli; Beyene, Belete B.; Datta, Amitabha; Garribba, Eugenio; Roma-Rodrigues, Catarina; Silva, Ana; Fernandes, Alexandra R.; Hung, Chen-Hsiung","EPR and electrochemical interpretation of bispyrazolylacetate anchored Ni(ii) and Mn(ii) complexes: cytotoxicity and anti-proliferative activity towards human cancer cell lines","New Journal of Chemistry","2018","42","11","9126","","10.1039/C8NJ01033A","","","0.71073","MoKα","","0.057","0.037","","","0.0825","0.0935","","","","","","1.028","","","","has coordinates,has disorder","230535","2020-10-21","18:00:00",""
"7057335","16.0494","0.0003","19.0406","0.0003","21.7646","0.0004","90","","105.199","0.001","90","","6418.4","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","HBC_macrocycle_2H2O_4CHCl3","HBC dimer","","- C156 H140 Cl12 N4 O4 -","- C156.008 H140.018 Cl12 N4 O4 -","- C312.016 H280.036 Cl24 N8 O8 -","2","0.5","","Akine, Shigehisa; Onuma, Takahiro; Nabeshima, Tatsuya","A novel graphite-like stacking structure in a discrete molecule and its molecular recognition behavior","New Journal of Chemistry","2018","42","12","9369","","10.1039/C8NJ01315B","","","0.71073","MoKα","","0.1332","0.0903","","","0.2059","0.2388","","","","","","1.119","","","","has coordinates,has disorder","230558","2020-10-21","18:00:00",""
"7057336","17.48","0.005","8.61","0.002","26.183","0.007","90","","94.388","0.007","90","","3929.1","1.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H64 Co N6 Si4 -","- C26 H64 Co N6 Si4 -","- C104 H256 Co4 N24 Si16 -","4","0.5","","Zhang, Yuxiang; Du, Liyong; Liu, Xinfang; Ding, Yuqiang","Synthesis, characterization, and thermal properties of cobalt(ii) compounds with guanidinate ligands","New Journal of Chemistry","2018","42","11","9110","","10.1039/C8NJ01232F","","","0.71073","MoKα","","0.0736","0.0627","","","0.1466","0.152","","","","","","1.124","","","","has coordinates","230524","2020-10-21","18:00:00",""
"7057337","11.3666","0.0016","14.999","0.002","22.353","0.003","90","","102.602","0.009","90","","3719.1","0.9","296","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H25 N6 O9 Zn -","- C34 H25 N6 O9 Zn -","- C136 H100 N24 O36 Zn4 -","4","1","","Zong, Ziao; Bi, Caifeng; Zhu, Zheng; Fan, Chuanbin; Meng, Xiangmin; Zhang, Xia; Fan, Yuhua","Structure, sensing and photocatalytic properties of two multifunctional 3D luminescent coordination polymers based on an N-heterocyclic carboxylic acid","New Journal of Chemistry","2018","42","11","8905","","10.1039/C8NJ01359D","","","0.71073","MoKα","","0.1076","0.0501","","","0.1045","0.1222","","","","","","0.963","","","","has coordinates","230536","2020-10-21","18:00:00",""
"7057338","26.411","0.003","9.7562","0.0011","32.752","0.004","90","","108.25","0.003","90","","8014.7","1.6","205","","205","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H28 N7 O4 Zn -","- C43 H28 N7 O4 Zn -","- C344 H224 N56 O32 Zn8 -","8","1","","Zong, Ziao; Bi, Caifeng; Zhu, Zheng; Fan, Chuanbin; Meng, Xiangmin; Zhang, Xia; Fan, Yuhua","Structure, sensing and photocatalytic properties of two multifunctional 3D luminescent coordination polymers based on an N-heterocyclic carboxylic acid","New Journal of Chemistry","2018","42","11","8905","","10.1039/C8NJ01359D","","","0.71073","MoKα","","0.1071","0.0809","","","0.231","0.2471","","","","","","1.108","","","","has coordinates,has disorder","230536","2020-10-21","18:00:00",""
"7057339","5.9377","0.0004","7.7854","0.0005","8.7147","0.0005","110.031","0.003","104.303","0.003","96.242","0.003","358.39","0.04","296","2","296","2","","","","","","","","5","P 1","P 1","1","nickel(II) nitroplatinate octahydrate","","","- H16 N4 Ni O16 Pt -","- H16 N4 Ni O16 Pt -","- H16 N4 Ni O16 Pt -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0148","0.0148","","","0.0346","0.0346","","","","","","1.039","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057340","5.9125","0.0004","7.8201","0.0005","8.7149","0.0006","110.076","0.003","103.908","0.003","96.272","0.003","359.15","0.04","150","2","150","2","","","","","","","","5","P 1","P 1","1","cobalt(II) nitroplatinate octahydrate","hexaaquacobalt(II) tetranitroplatinate(II) dihydrate","","- Co H16 N4 O16 Pt -","- Co H16 N4 O16 Pt -","- Co H16 N4 O16 Pt -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0162","0.0162","","","0.0454","0.0454","","","","","","1.092","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057341","5.9834","0.0002","7.8788","0.0003","8.6406","0.0003","110.211","0.002","105.344","0.002","95.988","0.002","359.9","0.02","296","2","296","2","","","","","","","","5","P 1","P 1","1","nickel(II) nitropalladate octahydrate","hexaaquanickel(II) tetranitropalladate(II) dihydrate","","- H16 N4 Ni O16 Pd -","- H16 N4 Ni O16 Pd -","- H16 N4 Ni O16 Pd -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0229","0.0212","","","0.0497","0.0505","","","","","","1.101","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057342","6.0051","0.0003","7.8865","0.0004","8.6872","0.0005","110.055","0.002","105.1","0.003","96.203","0.003","364.18","0.03","296","2","296","2","","","","","","","","5","P 1","P 1","1","cobalt(II) nitropalladate octahydrate","hexaaquacobalt(II) tetranitropalladate(II) dihydrate","","- Co H16 N4 O16 Pd -","- Co H16 N4 O16 Pd -","- Co H16 N4 O16 Pd -","1","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0248","0.0211","","","0.0481","0.0495","","","","","","1.012","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057343","8.3841","0.0007","8.422","0.0007","9.5643","0.0008","81.036","0.002","71.001","0.002","60.479","0.002","555.65","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","barium tetranitroplatinate(II) trihydrate","barium tetranitroplatinate(II) trihydrate","","- Ba H6 N4 O11 Pt -","- Ba H6 N4 O11 Pt -","- Ba2 H12 N8 O22 Pt2 -","2","1","","Zadesenets, Andrey V.; Filatov, Evgeniy Yu.; Plyusnin, Pavel E.; Asanova, Tatyana I.; Korolkov, Ilya V.; Baidina, Iraida A.; Shlyakhova, Elena V.; Asanov, Igor P.; Korenev, Sergey V.","Complex salts of Pd(ii) and Pt(ii) with Co(ii) and Ni(ii) aqua-cations as single-source precursors for bimetallic nanoalloys and mixed oxides","New Journal of Chemistry","2018","42","11","8843","","10.1039/C8NJ00956B","","","0.71073","MoKα","","0.0157","0.0152","","","0.0378","0.038","","","","","","1.072","","","","has coordinates","230518","2020-10-21","18:00:00",""
"7057344","5.4994","0.0011","19.724","0.004","6.219","0.0012","90","","114.278","0.005","90","","614.9","0.2","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl2 F8 O4 S2 -","- C4 Cl2 F8 O4 S2 -","- C8 Cl4 F16 O8 S4 -","2","0.5","","Liu, Xiaolin; McMillen, Colin D.; Thrasher, Joseph S.","Cooperative intermolecular S‒Cl⋯O and F⋯F associations in the crystal packing of α,ω-di(sulfonyl chloride) perfluoroalkanes, ClSO2(CF2)nSO2Cl, where n = 4, 6","New Journal of Chemistry","2018","42","13","10484","","10.1039/C8NJ00536B","","","0.71073","MoKα","","0.1148","0.0892","","","0.1808","0.1987","","","","","","1.175","","","","has coordinates","230368","2020-10-21","18:00:00",""
"7057345","5.3148","0.0007","24.007","0.003","5.8975","0.0008","90","","111.669","0.003","90","","699.3","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl2 F12 O4 S2 -","- C6 Cl2 F12 O4 S2 -","- C12 Cl4 F24 O8 S4 -","2","0.5","","Liu, Xiaolin; McMillen, Colin D.; Thrasher, Joseph S.","Cooperative intermolecular S‒Cl⋯O and F⋯F associations in the crystal packing of α,ω-di(sulfonyl chloride) perfluoroalkanes, ClSO2(CF2)nSO2Cl, where n = 4, 6","New Journal of Chemistry","2018","42","13","10484","","10.1039/C8NJ00536B","","","0.71073","MoKα","","0.0667","0.0616","","","0.1578","0.1597","","","","","","1.141","","","","has coordinates","230368","2020-10-21","18:00:00",""
"7057346","8.9694","0.0009","9.0988","0.0007","9.4933","0.0012","86.132","0.008","83.927","0.01","81.238","0.007","760.38","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 F4 I2 N -","- C13 H9 F4 I2 N -","- C26 H18 F8 I4 N2 -","2","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0446","0.0333","","","0.085","0.0886","","","","","","1.084","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057347","11.278","0.002","5.5135","0.0012","15.65","0.003","90","","93.572","0.016","90","","971.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F4 I2 N2 -","- C18 H14 F4 I2 N2 -","- C36 H28 F8 I4 N4 -","2","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0458","0.0274","","","0.0568","0.0596","","","","","","0.969","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057348","8.2478","0.0007","8.7243","0.0008","8.9978","0.0008","88.673","0.007","64.626","0.009","66.878","0.008","529.73","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 F2 I N -","- C10 H9 F2 I N -","- C20 H18 F4 I2 N2 -","2","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0273","0.0244","","","0.0622","0.0631","","","","","","1.061","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057349","7.449","","17.971","0.003","12.047","0.0015","90","0.007","93.77","0.02","90","0.004","1609.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 F4 I2 N -","- C14 H11 F4 I2 N -","- C56 H44 F16 I8 N4 -","4","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0576","0.0477","","","0.1202","0.1252","","","","","","1.01","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057350","8.7924","0.0011","6.0635","0.0009","21.703","0.002","90","","100.65","0.011","90","","1137.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 I2 N2 -","- C24 H14 F4 I2 N2 -","- C48 H28 F8 I4 N4 -","2","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0632","0.0455","","","0.1055","0.1151","","","","","","1.161","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057351","15.1562","0.0008","7.1136","0.0003","14.3096","0.0006","90","","90","","90","","1542.79","0.12","295","2","295","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C14 H6 F4 I2 N2 -","- C14 H6 F4 I2 N2 -","- C56 H24 F16 I8 N8 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0681","0.0522","","","0.1234","0.1281","","","","","","0.973","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057352","6.7235","0.0004","18.3649","0.0009","8.1296","0.0006","90","","107.109","0.007","90","","959.39","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 I2 N2 -","- C18 H14 F4 I2 N2 -","- C36 H28 F8 I4 N4 -","2","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0547","0.0462","","","0.0998","0.1026","","","","","","1.168","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057353","4.2847","0.0004","11.5355","0.0013","22.4615","0.0017","90","","93.759","0.007","90","","1107.8","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 I2 N2 -","- C24 H14 F4 I2 N2 -","- C48 H28 F8 I4 N4 -","2","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0365","0.024","","","0.0502","0.052","","","","","","0.963","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057354","7.259","0.005","27.697","0.005","11.275","0.005","90","","90.783","0.005","90","","2266.7","1.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 F4 I2 N2 -","- C24 H14 F4 I2 N2 -","- C96 H56 F16 I8 N8 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.1457","0.0351","","","0.05","0.0605","","","","","","0.669","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057355","12.0566","0.0006","6.1409","0.0003","21.3074","0.001","90","","100.917","0.004","90","","1549.02","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F4 I2 N2 -","- C14 H6 F4 I2 N2 -","- C56 H24 F16 I8 N8 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0479","0.0298","","","0.0747","0.0796","","","","","","1.01","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057356","9.3023","0.0007","7.2775","0.0005","20.5704","0.0018","90","","96.422","0.008","90","","1383.83","0.19","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H9 F4 I2 N O -","- C10 H9 F4 I2 N O -","- C40 H36 F16 I8 N4 O4 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0902","0.0498","","","0.1122","0.1501","","","","","","0.777","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057357","26.5686","0.0017","9.8339","0.0006","11.9828","0.0009","90","","90","","90","","3130.8","0.4","295","2","295","2","","","","","","","","5","P 21 c a","P -2ac 2a","29","","","","- C12 H12 F4 I2 N2 -","- C12 H12 F4 I2 N2 -","- C96 H96 F32 I16 N16 -","8","2","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0995","0.0797","","","0.2049","0.2319","","","","","","1.106","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057358","6.2409","0.0003","8.4295","0.0005","9.1751","0.0005","80.934","0.005","84.467","0.004","78.592","0.005","466.17","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F4 I2 N2 -","- C18 H14 F4 I2 N2 -","- C18 H14 F4 I2 N2 -","1","0.5","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0369","0.0333","","","0.0842","0.0854","","","","","","1.094","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057359","6.1088","0.0003","9.4013","0.0006","12.4113","0.0007","103.403","0.005","96.182","0.004","95.921","0.005","683.27","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F4 I2 N2 -","- C10 H10 F4 I2 N2 -","- C20 H20 F8 I4 N4 -","2","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0467","0.0361","","","0.0866","0.089","","","","","","0.997","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057360","11.102","0.005","9.839","0.005","17.118","0.005","90","0.005","107.704","0.005","90","0.005","1781.3","1.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H9 F4 I2 N -","- C19 H9 F4 I2 N -","- C76 H36 F16 I8 N4 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0403","0.0256","","","0.0505","0.053","","","","","","0.952","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057361","13.1009","0.0014","9.2198","0.0006","14.0936","0.0014","90","","110.087","0.012","90","","1598.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F4 I2 N -","- C15 H7 F4 I2 N -","- C60 H28 F16 I8 N4 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0749","0.0355","","","0.0652","0.072","","","","","","0.812","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057362","4.3271","0.0003","24.896","0.0017","11.8038","0.001","90","","97.033","0.007","90","","1262.03","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 F4 I2 N2 -","- C10 H4 F4 I2 N2 -","- C40 H16 F16 I8 N8 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0773","0.0678","","","0.1751","0.1814","","","","","","1.069","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057363","5.7902","0.0003","8.7132","0.0005","13.4792","0.0007","72.603","0.005","79.867","0.004","85.571","0.004","638.59","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 F4 I2 N2 -","- C10 H4 F4 I2 N2 -","- C20 H8 F8 I4 N4 -","2","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0337","0.0264","","","0.0611","0.0626","","","","","","0.936","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057364","7.0063","0.0004","27.1389","0.0017","9.3619","0.0006","90","","98.44","0.005","90","","1760.82","0.19","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H12 F2 I N3 -","- C21 H12 F2 I N3 -","- C84 H48 F8 I4 N12 -","4","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.0432","0.0279","","","0.0591","0.0623","","","","","","0.885","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057365","8.0923","0.0012","8.9366","0.0011","12.186","0.002","94.666","0.013","92.374","0.014","113.149","0.013","805","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 F4 I2 N -","- C14 H11 F4 I2 N -","- C28 H22 F8 I4 N2 -","2","1","","Bedeković, Nikola; Stilinović, Vladimir; Friščić, Tomislav; Cinčić, Dominik","Comparison of isomericmeta- andpara-diiodotetrafluorobenzene as halogen bond donors in crystal engineering","New Journal of Chemistry","2018","42","13","10584","","10.1039/C8NJ01368C","","","0.71073","MoKα","","0.1065","0.0562","","","0.1246","0.1384","","","","","","0.834","","","","has coordinates","230389","2020-10-21","18:00:00",""
"7057366","6.8527","0.0006","9.1813","0.0009","13.1091","0.0012","86.834","0.003","80.616","0.003","74.983","0.003","785.88","0.13","263","2","263","2","","","","","","","","3","P -1","-P 1","2","","3-tert-Butyl-6-cyano-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 N4 -","- C18 H17 N4 -","- C36 H34 N8 -","2","1","","Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki","Magneto-structural correlation of cyano-substituted 3-tert-butyl-1-phenyl-1,2,4-benzotriazin-4-yl: spin transition behaviour observed in a 6-cyano derivative","New Journal of Chemistry","2018","42","12","9949","","10.1039/C7NJ04534D","","","0.71073","MoKα","","0.0975","0.0647","","","0.1763","0.2128","","","","","","1.103","","","","has coordinates","230549","2020-10-21","18:00:00",""
"7057367","18.709","0.003","7.8316","0.0012","21.501","0.006","90","","90.945","0.004","90","","3149.9","1.1","296","2","296","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3-tert-Butyl-7-cyano-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 N4 -","- C18 H17 N4 -","- C144 H136 N32 -","8","1","","Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki","Magneto-structural correlation of cyano-substituted 3-tert-butyl-1-phenyl-1,2,4-benzotriazin-4-yl: spin transition behaviour observed in a 6-cyano derivative","New Journal of Chemistry","2018","42","12","9949","","10.1039/C7NJ04534D","","","0.71073","MoKα","","0.1153","0.0702","","","0.1891","0.219","","","","","","1.38","","","","has coordinates","230549","2020-10-21","18:00:00",""
"7057368","26.317","0.004","6.7524","0.0007","18.003","0.002","90","","90.578","0.003","90","","3199","0.7","300","2","300","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","3-tert-Butyl-6-cyano-1,4-dihydro-1-phenyl-1,2,4-benzotriazin-4-yl","","- C18 H17 N4 -","- C18 H17 N4 -","- C144 H136 N32 -","8","1","","Takahashi, Yusuke; Tsuchiya, Naoya; Miura, Youhei; Yoshioka, Naoki","Magneto-structural correlation of cyano-substituted 3-tert-butyl-1-phenyl-1,2,4-benzotriazin-4-yl: spin transition behaviour observed in a 6-cyano derivative","New Journal of Chemistry","2018","42","12","9949","","10.1039/C7NJ04534D","","","0.71073","MoKα","","0.0901","0.0712","","","0.216","0.237","","","","","","1.396","","","","has coordinates","230549","2020-10-21","18:00:00",""
"7057369","14.84001","0.0001","16.55137","0.00008","28.2482","0.0002","90","","90","","90","","6938.39","0.08","130","0.1","130","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Br2 O P2 Pd -","- C39 H32 Br2 O P2 Pd -","- C312 H256 Br16 O8 P16 Pd8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","1.54184","CuKα","","0.0285","0.0269","","","0.0686","0.0698","","","","","","1.073","","","","has coordinates","230530","2020-10-21","18:00:00",""
"7057370","15.459","0.002","16.811","0.002","27.327","0.004","90","","90","","90","","7101.8","1.6","130.01","0.1","130.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H34 Br2 O P2 Pd -","- C40 H34 Br2 O P2 Pd -","- C320 H272 Br16 O8 P16 Pd8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","1.54184","CuKα","","0.1547","0.118","","","0.2507","0.2757","","","","","","1.062","","","","has coordinates,has disorder","230530","2020-10-21","18:00:00",""
"7057371","14.89","0.003","16.582","0.003","28.103","0.006","90","","90","","90","","6939","2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C39 H32 Br2 O P2 Pt -","- C39 H32 Br2 O P2 Pt -","- C312 H256 Br16 O8 P16 Pt8 -","8","1","","Sabounchei, Seyyed Javad; Badpa, Khadijeh; Nematollahi, Davood; Sharafi-kolkeshvandi, Mahnaz; Hosseinzadeh, Leila; Karamian, Roya; Ghasemlou, Fatemeh; Gable, Robert W.","New Pd/Pt(ii) complexes as unsymmetrical ylide-based chemotherapeutic agents: synthesis, characterization, biological activity, electrochemical, and X-ray studies","New Journal of Chemistry","2018","42","11","8968","","10.1039/C8NJ00797G","","x-ray","0.7109","MoKα","","0.0649","0.0459","","","0.1176","0.1272","","","","","","1.108","","","","has coordinates","230530","2020-10-21","18:00:00",""
"7057372","9.53878","0.00016","16.807","0.0003","18.0235","0.0003","103.584","0.0014","104.834","0.0014","91.8775","0.0014","2701.76","0.08","300","0.1","300","0.1","","","","","","","","3","P -1","-P 1","2","","2PPI-TPE","","- C68 H44 N4 -","- C68 H44 N4 -","- C136 H88 N8 -","2","1","","Wang, Zhong-Yi; Zhao, Jue-Wen; Li, Peng; Feng, Tong; Wang, Wen-Jian; Tao, Si-Lu; Tong, Qing-Xiao","Novel phenanthroimidazole-based blue AIEgens: reversible mechanochromism, bipolar transporting properties, and electroluminescence","New Journal of Chemistry","2018","42","11","8924","","10.1039/C8NJ01006D","","x-ray","1.54184","CuKα","","0.0485","0.0392","","","0.1055","0.111","","","","","","1.059","","","","has coordinates","230543","2020-10-21","18:00:00",""
"7057373","10.8007","0.0009","12.2538","0.0009","21.8576","0.0018","90","","94.261","0.003","90","","2884.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 I7 P -","- C21 H18 I7 P -","- C84 H72 I28 P4 -","4","1","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0271","0.0227","","","0.0555","0.057","","","","","","1.239","","","","has coordinates,has disorder","230370","2020-10-21","18:00:00",""
"7057374","18.6366","0.0009","18.7492","0.0008","19.4096","0.0008","90","","90","","90","","6782.1","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H36 F12 I12 P2 -","- C56 H36 F12 I12 P2 -","- C224 H144 F48 I48 P8 -","4","0.5","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0344","0.0231","","","0.0404","0.0436","","","","","","1.079","","","","has coordinates","230370","2020-10-21","18:00:00",""
"7057375","11.4326","0.0012","11.7996","0.0012","12.7273","0.0013","112.483","0.003","97.094","0.004","97.777","0.003","1542.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F4 I5 P -","- C25 H18 F4 I5 P -","- C50 H36 F8 I10 P2 -","2","1","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0217","0.0189","","","0.0446","0.0456","","","","","","1.17","","","","has coordinates","230370","2020-10-21","18:00:00",""
"7057376","11.778","0.0012","12.7956","0.0013","20.095","0.002","90","","100.703","0.004","90","","2975.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 F4 I5 P -","- C25 H18 F4 I5 P -","- C100 H72 F16 I20 P4 -","4","1","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0305","0.0231","","","0.0488","0.0514","","","","","","1.138","","","","has coordinates","230370","2020-10-21","18:00:00",""
"7057377","17.5541","0.0008","11.6207","0.0005","19.9618","0.0009","90","","112.693","0.002","90","","3756.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H18 F8 I7 P -","- C31 H18 F8 I7 P -","- C124 H72 F32 I28 P4 -","4","1","","Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T.","Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines","New Journal of Chemistry","2018","42","13","10518","","10.1039/C8NJ01373J","","","0.71073","MoKα","","0.0206","0.0187","","","0.0426","0.0432","","","","","","1.194","","","","has coordinates","230370","2020-10-21","18:00:00",""
"7057378","8.5167","0.0005","8.5167","0.0005","8.8404","0.0009","90","","90","","90","","641.23","0.08","296","2","296","2","","","","","","","","4","P 42/m","-P 4c","84","","","","- C10 H12 I2 O3 -","- C10 H12 I2 O3 -","- C20 H24 I4 O6 -","2","0.25","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0446","0.0294","","","0.064","0.0741","","","","","","1.079","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057379","11.5202","0.0015","7.7849","0.001","11.8577","0.0016","90","","114.559","0.002","90","","967.2","0.2","228","2","228","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C44 H48 N4 O4 -","2","0.5","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","Mokα","","0.0605","0.0457","","","0.1096","0.121","","","","","","1.039","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057380","11.1961","0.0017","11.5073","0.0018","9.2386","0.0015","90","","100.613","0.004","90","","1169.9","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 I2 O2 -","- C10 H10 I2 O2 -","- C40 H40 I8 O8 -","4","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0227","0.0203","","","0.0436","0.0443","","","","","","1.091","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057381","7.844","0.0014","11.568","0.002","12.755","0.002","92.124","0.006","97.154","0.006","109.722","0.006","1077.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 I2 N2 O2 -","- C22 H22 I2 N2 O2 -","- C44 H44 I4 N4 O4 -","2","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0349","0.0297","","","0.0706","0.0734","","","","","","1.043","","","","has coordinates,has disorder","230396","2020-10-21","18:00:00",""
"7057382","9.9472","0.0012","6.1399","0.0008","16.775","0.002","90","","104.248","0.002","90","","993","0.2","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0691","0.0455","","","0.1156","0.1308","","","","","","1.031","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057383","9.5108","0.0004","10.5838","0.0006","22.0298","0.0008","90","","100.451","0.004","90","","2180.74","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I2 N2 O2 -","- C20 H18 I2 N2 O2 -","- C80 H72 I8 N8 O8 -","4","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0756","0.0564","","","0.1418","0.154","","","","","","1.042","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057384","7.7674","0.0008","10.001","0.001","26.238","0.003","81.234","0.001","89.268","0.001","85.844","0.001","2009.1","0.4","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 I2 N2 O2 -","- C20 H18 I2 N2 O2 -","- C80 H72 I8 N8 O8 -","4","2","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0663","0.0473","","","0.1001","0.107","","","","","","1.15","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057385","7.8373","0.0007","11.6273","0.0011","12.6853","0.0012","93.5792","0.0012","96.5739","0.0011","107.233","0.0011","1091.15","0.18","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 I2 N2 O2 -","- C22 H20 I2 N2 O2 -","- C44 H40 I4 N4 O4 -","2","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0422","0.0289","","","0.0588","0.0659","","","","","","1.034","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057386","5.9239","0.0005","12.3895","0.0009","13.2181","0.0008","110.998","0.006","96.684","0.006","99.359","0.006","877.44","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","1","","Gamekkanda, Janaka C.; Sinha, Abhijeet S.; Desper, John; Đaković, Marijana; Aakeröy, Christer B.","Competition between hydrogen bonds and halogen bonds: a structural study","New Journal of Chemistry","2018","42","13","10539","","10.1039/C8NJ00537K","","","0.71073","MoKα","","0.0849","0.0518","","","0.0989","0.1109","","","","","","1.012","","","","has coordinates","230396","2020-10-21","18:00:00",""
"7057387","18.466","0.003","8.9272","0.0014","21.798","0.004","90","","94.344","0.003","90","","3583.1","1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Ga N9 O5 S2 -","- C32 H38 Ga N9 O5 S2 -","- C128 H152 Ga4 N36 O20 S8 -","4","1","","Qi, Jinxu; Qian, Kun; Tian, Liang; Cheng, Zhen; Wang, Yihong","Gallium(iii)‒2-benzoylpyridine-thiosemicarbazone complexes promote apoptosis through Ca2+ signaling and ROS-mediated mitochondrial pathways","New Journal of Chemistry","2018","42","12","10226","","10.1039/C8NJ00697K","","","0.71073","MoKα","","0.0499","0.0388","","","0.1273","0.1362","","","","","","1.03","","","","has coordinates","230545","2020-10-21","18:00:00",""
"7057388","13.263","0.004","11.598","0.004","18.773","0.006","90","","94.273","0.005","90","","2879.7","1.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26.5 Ga N9 O4.25 S2 -","- C26 H26.25 Ga N9 O4.25 S2 -","- C104 H105 Ga4 N36 O17 S8 -","4","1","","Qi, Jinxu; Qian, Kun; Tian, Liang; Cheng, Zhen; Wang, Yihong","Gallium(iii)‒2-benzoylpyridine-thiosemicarbazone complexes promote apoptosis through Ca2+ signaling and ROS-mediated mitochondrial pathways","New Journal of Chemistry","2018","42","12","10226","","10.1039/C8NJ00697K","","","0.71073","MoKα","","0.0424","0.0323","","","0.1088","0.1214","","","","","","0.976","","","","has coordinates","230545","2020-10-21","18:00:00",""
"7057389","10.891","0.004","12.977","0.004","14.074","0.005","91.872","0.006","97.259","0.005","109.477","0.005","1854.3","1.1","296.15","","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Ga N9 O3 S2 -","- C38 H30 Ga N9 O3 S2 -","- C76 H60 Ga2 N18 O6 S4 -","2","1","","Qi, Jinxu; Qian, Kun; Tian, Liang; Cheng, Zhen; Wang, Yihong","Gallium(iii)‒2-benzoylpyridine-thiosemicarbazone complexes promote apoptosis through Ca2+ signaling and ROS-mediated mitochondrial pathways","New Journal of Chemistry","2018","42","12","10226","","10.1039/C8NJ00697K","","","0.71073","MoKα","","0.0959","0.0593","","","0.1801","0.2076","","","","","","1.041","","","","has coordinates,has disorder","230545","2020-10-21","18:00:00",""
"7057390","19.302","0.006","7.5206","0.0019","20.583","0.006","90","","111.211","0.013","90","","2785.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H34 Cu2 N10 O2 -","- C26 H34 Cu2 N10 O2 -","- C104 H136 Cu8 N40 O8 -","4","0.5","","Maity, Tithi; Mandal, Haridas; Bauzá, Antonio; Samanta, Bidhan Chandra; Frontera, Antonio; Seth, Saikat Kumar","Quantifying conventional C‒H⋯π(aryl) and unconventional C‒H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study","New Journal of Chemistry","2018","42","12","10202","","10.1039/C8NJ00747K","","","0.71073","MoKα","","0.0408","0.0329","","","0.0819","0.0862","","","","","","1.069","","","","has coordinates","230552","2020-10-21","18:00:00",""
"7057391","8.654","0.002","8.757","0.002","11.861","0.003","101.973","0.005","101.335","0.003","109.734","0.005","792.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","- C30 H44 Cu2 N4 O8 -","1","0.5","","Maity, Tithi; Mandal, Haridas; Bauzá, Antonio; Samanta, Bidhan Chandra; Frontera, Antonio; Seth, Saikat Kumar","Quantifying conventional C‒H⋯π(aryl) and unconventional C‒H⋯π(chelate) interactions in dinuclear Cu(ii) complexes: experimental observations, Hirshfeld surface and theoretical DFT study","New Journal of Chemistry","2018","42","12","10202","","10.1039/C8NJ00747K","","","0.71073","MoKα","","0.0784","0.0531","","","0.1288","0.1417","","","","","","1.06","","","","has coordinates","230552","2020-10-21","18:00:00",""
"7057392","14.717","0.0008","16.7634","0.0011","20.2352","0.0014","90","","119.615","0.004","90","","4340","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H76 Co2 N28 Na2 O14 -","- C90 H76 Co2 N28 Na2 O14 -","- C180 H152 Co4 N56 Na4 O28 -","2","0.5","","Pandey, Saurabh; Bansal, Deepak; Gupta, Rajeev","A metalloligand appended with benzimidazole rings: tetranuclear [CoZn3] and [CoCd3] complexes and their catalytic applications","New Journal of Chemistry","2018","42","12","9847","","10.1039/C8NJ00734A","","","0.71073","MoKα","","0.143","0.0705","","","0.0877","0.1097","","","","","","0.987","","","","has coordinates","230557","2020-10-21","18:00:00",""
"7057393","13.876","0.005","14.859","0.005","20.392","0.005","74.361","0.005","71.679","0.005","68.406","0.005","3654","2","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H73 Cd3 Co N14 O18 S6 -","- C60 H73 Cd3 Co N14 O18 S6 -","- C120 H146 Cd6 Co2 N28 O36 S12 -","2","1","","Pandey, Saurabh; Bansal, Deepak; Gupta, Rajeev","A metalloligand appended with benzimidazole rings: tetranuclear [CoZn3] and [CoCd3] complexes and their catalytic applications","New Journal of Chemistry","2018","42","12","9847","","10.1039/C8NJ00734A","","","0.71073","MoKα","","0.1208","0.0668","","","0.1088","0.1286","","","","","","1.033","","","","has coordinates,has disorder","230557","2020-10-21","18:00:00",""
"7057394","15.1412","0.0013","17.3711","0.0015","25.697","0.002","79.384","0.002","84.626","0.003","86.773","0.003","6608.7","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H115 Cl6 Co2 N37 O19 Zn6 -","- C111 H114 Cl6 Co2 N37 O19 Zn6 -","- C222 H228 Cl12 Co4 N74 O38 Zn12 -","2","1","","Pandey, Saurabh; Bansal, Deepak; Gupta, Rajeev","A metalloligand appended with benzimidazole rings: tetranuclear [CoZn3] and [CoCd3] complexes and their catalytic applications","New Journal of Chemistry","2018","42","12","9847","","10.1039/C8NJ00734A","","","0.71073","MoKα","","0.1247","0.067","","","0.1561","0.1835","","","","","","1.04","","","","has coordinates,has disorder","230557","2020-10-21","18:00:00",""
"7057395","9.4207","0.0011","24.123","0.004","13.7254","0.0015","90","","109.606","0.006","90","","2938.3","0.7","133","2","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 N8 O14 Y2 -","- C58 H62 N8 O14 Y2 -","- C116 H124 N16 O28 Y4 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.076","0.0498","","","0.0979","0.1055","","","","","","0.972","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057396","9.4646","0.0011","24.142","0.003","13.7979","0.0018","90","","109.57","0.003","90","","2970.6","0.6","133","2","133.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 Dy2 N8 O14 -","- C58 H62 Dy2 N8 O14 -","- C116 H124 Dy4 N16 O28 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0205","0.0203","","","0.0512","0.0513","","","","","","1.094","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057397","13.2673","0.0014","8.9523","0.0009","22.256","0.002","90","","92.579","0.002","90","","2640.7","0.5","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H52 N6 O13 Tb2 -","- C53 H52 N6 O13 Tb2 -","- C106 H104 N12 O26 Tb4 -","2","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0464","0.0404","","","0.0967","0.1025","","","","","","1.047","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057398","9.4749","0.0015","24.069","0.004","13.944","0.002","90","","108.472","0.003","90","","3016.1","0.8","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 N8 Nd2 O14 -","- C58 H62 N8 Nd2 O14 -","- C116 H124 N16 Nd4 O28 -","2","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.032","0.0302","","","0.0729","0.0735","","","","","","1.284","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057399","8.9225","0.0017","12.199","0.003","12.327","0.003","107.18","0.004","99.48","0.002","100.345","0.004","1226.7","0.5","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 N6 O12 Yb2 -","- C52 H48 N6 O12 Yb2 -","- C52 H48 N6 O12 Yb2 -","1","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0238","0.02","","","0.0449","0.0462","","","","","","1.083","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057400","9.4246","0.0019","24.17","0.005","13.79","0.003","90","","109.7","0.03","90","","2957.4","1.2","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H62 Er2 N8 O14 -","- C58 H62 Er2 N8 O14 -","- C116 H124 Er4 N16 O28 -","2","1","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0497","0.0445","","","0.1067","0.1197","","","","","","1.063","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057401","8.8093","0.0019","10.5348","0.0019","11.064","0.002","101.692","0.002","111.471","0.002","99.058","0.003","905","0.3","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N6 O12 Yb2 -","- C32 H40 N6 O12 Yb2 -","- C32 H40 N6 O12 Yb2 -","1","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0149","0.0142","","","0.037","0.0373","","","","","","1.02","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057402","9.0652","0.0014","9.4584","0.0017","11.055","0.0016","90.012","0.01","104.304","0.01","94.469","0.013","915.5","0.3","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Er2 N6 O12 -","- C32 H40 Er2 N6 O12 -","- C32 H40 Er2 N6 O12 -","1","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0188","0.0172","","","0.0542","0.0553","","","","","","1.04","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057403","9.1445","0.0014","9.484","0.0017","11.0533","0.0016","89.749","0.009","75.703","0.005","85.535","0.008","926","0.3","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Dy2 N6 O12 -","- C32 H40 Dy2 N6 O12 -","- C32 H40 Dy2 N6 O12 -","1","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0192","0.0157","","","0.0366","0.0371","","","","","","1.006","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057404","13.257","0.003","9.0845","0.0018","22.332","0.005","90","","91.59","0.03","90","","2688.5","1","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Eu2 N6 O14 -","- C54 H56 Eu2 N6 O14 -","- C108 H112 Eu4 N12 O28 -","2","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0702","0.0597","","","0.1424","0.1555","","","","","","1.136","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057405","13.258","0.003","9.035","0.002","22.25","0.006","90","","91.829","0.005","90","","2663.9","1.1","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Gd2 N6 O14 -","- C54 H56 Gd2 N6 O14 -","- C108 H112 Gd4 N12 O28 -","2","0.5","","Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling","Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands","New Journal of Chemistry","2018","42","14","11417","","10.1039/C8NJ01355A","","","0.71073","MoKα","","0.0483","0.0429","","","0.1126","0.1175","","","","","","1.054","","","","has coordinates","230406","2020-10-21","18:00:00",""
"7057406","19.627","0.002","14.7493","0.0017","29.848","0.003","90","","101.629","0.006","90","","8463.2","1.6","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C47 H60 O5 -","- C47 H60 O5 -","- C376 H480 O40 -","8","1","","An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo","2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions","New Journal of Chemistry","2018","42","13","10689","","10.1039/C8NJ01284A","","","0.71073","MoKα","","0.2013","0.1921","","","0.4044","0.409","","","","","","1.08","","","","has coordinates,has disorder","230388","2020-10-21","18:00:00",""
"7057407","11.294","0.003","13.33","0.003","15.319","0.004","80.401","0.007","89.62","0.009","82.038","0.009","2251.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H63 Br O5 -","- C49 H63 Br O5 -","- C98 H126 Br2 O10 -","2","1","","An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo","2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions","New Journal of Chemistry","2018","42","13","10689","","10.1039/C8NJ01284A","","","0.71073","MoKα","","0.3615","0.1281","","","0.2311","0.3037","","","","","","1.057","","","","has coordinates,has disorder","230388","2020-10-21","18:00:00",""
"7057408","27.808","0.003","17.183","0.002","21.075","0.002","90","","90","","90","","10070.2","1.9","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C51 H66 Br2 O5 -","- C51 H66 Br2 O5 -","- C408 H528 Br16 O40 -","8","1","","An, Lin; Wang, Jia-wei; Wang, Chan; Zhou, Shan-shan; Sun, Jing; Yan, Chao-Guo","2,3-Ethylene-bridged dihomooxacalix[4]arenes: synthesis, X-ray crystal structures and highly selective binding properties with anions","New Journal of Chemistry","2018","42","13","10689","","10.1039/C8NJ01284A","","","0.71073","MoKα","","0.1222","0.0538","","","0.1255","0.1546","","","","","","1.024","","","","has coordinates,has disorder","230388","2020-10-21","18:00:00",""
"7057409","13.022","0.0004","20.5063","0.0005","14.8412","0.0005","90","","105.56","0.004","90","","3817.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl Cu N2 P2 S -","- C42 H42 Cl Cu N2 P2 S -","- C168 H168 Cl4 Cu4 N8 P8 S4 -","4","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0722","0.0468","","","0.1005","0.1152","","","","","","1.064","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057410","9.4815","0.0006","10.3547","0.0006","13.2247","0.0008","79.062","0.005","73.412","0.006","70.63","0.005","1167.4","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 Br2 Cu2 N4 P2 S2 -","- C48 H54 Br2 Cu2 N4 P2 S2 -","- C48 H54 Br2 Cu2 N4 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0609","0.041","","","0.0865","0.0966","","","","","","1.032","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057411","10.5137","0.0003","20.7529","0.0006","11.7654","0.0003","90","","103.798","0.003","90","","2493.01","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Br2 Cu2 N4 P2 S2 -","- C54 H50 Br2 Cu2 N4 P2 S2 -","- C108 H100 Br4 Cu4 N8 P4 S4 -","2","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0664","0.0416","","","0.0859","0.0979","","","","","","1.036","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057412","13.0881","0.0004","20.2471","0.0005","15.2533","0.0004","90","","105.139","0.003","90","","3901.79","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Cl Cu N2 P2 S -","- C43 H44 Cl Cu N2 P2 S -","- C172 H176 Cl4 Cu4 N8 P8 S4 -","4","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","","0.71073","MoKα","","0.0688","0.0411","","","0.0858","0.0994","","","","","","1.032","","","","has coordinates,has disorder","230546","2020-10-21","18:00:00",""
"7057413","9.9322","0.0004","10.6993","0.0004","17.6677","0.0008","76.569","0.003","80.316","0.004","69.508","0.004","1702.8","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Br Cu N4 P S2 -","- C36 H35 Br Cu N4 P S2 -","- C72 H70 Br2 Cu2 N8 P2 S4 -","2","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","1.54184","CuKα","","0.0411","0.0387","","","0.1052","0.1079","","","","","","1.073","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057414","13.0009","0.0002","20.8461","0.0004","14.707","0.0003","90","","105.105","0.002","90","","3848.15","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Br Cu N2 P2 S -","- C42 H42 Br Cu N2 P2 S -","- C168 H168 Br4 Cu4 N8 P8 S4 -","4","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","1.54184","CuKα","","0.0488","0.0416","","","0.1102","0.1168","","","","","","1.033","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057415","9.1793","0.0005","10.2484","0.0007","13.4319","0.0009","79.123","0.006","73.321","0.005","69.953","0.006","1131.34","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 Br2 Cu2 N4 P2 S2 -","- C46 H50 Br2 Cu2 N4 P2 S2 -","- C46 H50 Br2 Cu2 N4 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0467","0.033","","","0.0726","0.0787","","","","","","1.039","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057416","9.6418","0.0012","10.5247","0.0008","13.4048","0.0012","79.58","0.007","72.802","0.009","70.907","0.009","1222.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 Cu2 I2 N4 P2 S2 -","- C48 H54 Cu2 I2 N4 P2 S2 -","- C48 H54 Cu2 I2 N4 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0487","0.0343","","","0.0748","0.0832","","","","","","1.038","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057417","9.4283","0.0005","10.2759","0.0007","13.1681","0.001","78.871","0.006","73.632","0.005","70.704","0.005","1148.26","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 Cl2 Cu2 N4 P2 S2 -","- C48 H54 Cl2 Cu2 N4 P2 S2 -","- C48 H54 Cl2 Cu2 N4 P2 S2 -","1","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.057","0.0457","","","0.115","0.1275","","","","","","1.064","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057418","10.7515","0.0002","20.6834","0.0004","11.9733","0.0003","90","","106.826","0.002","90","","2548.6","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Cu2 I2 N4 P2 S2 -","- C54 H50 Cu2 I2 N4 P2 S2 -","- C108 H100 Cu4 I4 N8 P4 S4 -","2","0.5","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","1.54184","CuKα","","0.0454","0.0425","","","0.1063","0.1103","","","","","","1.039","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057419","10.5257","0.0004","12.8802","0.0005","15.7569","0.0005","76.632","0.003","79.082","0.003","79.691","0.003","2020.18","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H40 Cu I N2 P2 S -","- C45 H40 Cu I N2 P2 S -","- C90 H80 Cu2 I2 N4 P4 S2 -","2","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","0.71073","MoKα","","0.0804","0.0476","","","0.1145","0.1357","","","","","","1.035","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057420","12.8975","0.0003","21.2368","0.0004","15.1545","0.0003","90","","105.562","0.002","90","","3998.68","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 Cu I N2 P2 S -","- C43 H44 Cu I N2 P2 S -","- C172 H176 Cu4 I4 N8 P8 S4 -","4","1","","Lobana, Tarlok S.; Aulakh, Jaspreet K.; Sood, Heena; Arora, Daljit S.; Garcia-Santos, Isabel; Kaur, Manpreet; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures and antimicrobial activity of copper derivatives of N-substituted imidazolidine-2-thiones: unusual bio-activity against Staphylococcus epidermidis and Enterococcus faecalis","New Journal of Chemistry","2018","42","12","9886","","10.1039/C8NJ00206A","","x-ray","1.54184","CuKα","","0.057","0.0522","","","0.1373","0.1427","","","","","","1.056","","","","has coordinates","230546","2020-10-21","18:00:00",""
"7057421","5.5616","0.0001","14.0149","0.0004","20.3191","0.0005","90","","90","","90","","1583.78","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br N3 O2 -","- C15 H22 Br N3 O2 -","- C60 H88 Br4 N12 O8 -","4","1","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0256","0.0234","","","0.0583","0.0596","","","","","","1.091","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057422","11.2501","0.0008","12.752","0.001","13.2943","0.001","86.09","0.006","89.456","0.006","67.095","0.007","1752.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 N4 -","- C21 H22 N4 -","- C84 H88 N16 -","4","2","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","","0.71073","MoKα","","0.0931","0.0557","","","0.1057","0.1217","","","","","","1.023","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057423","36.6338","0.0019","36.6338","0.0019","6.4707","0.0004","90","","90","","120","","7520.5","0.7","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C15 H19 Br2 N3 O -","- C15 H19 Br2 N3 O -","- C270 H342 Br36 N54 O18 -","18","","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0384","0.0363","","","0.0881","0.0894","","","","","","1.066","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057424","5.8808","0.0004","12.3009","0.0008","17.6105","0.0011","90","","91.401","0.007","90","","1273.55","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","","0.71073","MoKα","","0.0592","0.0431","","","0.0942","0.1026","","","","","","1.04","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057425","19.3835","0.0002","18.9731","0.0002","14.30664","0.00017","90","","90","","90","","5261.48","0.1","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H38 N8 O -","- C28 H38 N8 O -","- C224 H304 N64 O8 -","8","0.5","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0628","0.063","","","","","","1.096","","","","has coordinates,has disorder","207710","2020-10-21","18:00:00",""
"7057426","20.2808","0.0013","5.2993","0.0004","24.3454","0.0014","90","","98.356","0.006","90","","2588.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C112 H144 N16 O16 -","8","1","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","","0.71073","MoKα","","0.0728","0.0514","","","0.111","0.1245","","","","","","1.021","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057427","15.073","0.005","4.9158","0.0016","16.419","0.005","90","","99.242","0.004","90","","1200.8","0.7","110.15","","110.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 S -","- C12 H14 N4 S -","- C48 H56 N16 S4 -","4","1","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.041","0.0348","","","0.0816","0.0847","","","","","","1.026","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057428","8.4859","0.0005","10.4674","0.0006","10.4763","0.0006","62.218","0.001","71.741","0.001","78.431","0.001","780.19","0.08","99.97","","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N10 O2 Pd S2 -","- C28 H36 N10 O2 Pd S2 -","- C28 H36 N10 O2 Pd S2 -","1","0.5","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.0186","0.0179","","","0.0461","0.0465","","","","","","1.097","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057429","17.995","0.004","9.0166","0.0019","20.915","0.004","90","","110.053","0.002","90","","3187.8","1.2","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 Cl N5 O P Pd S -","- C32 H33 Cl N5 O P Pd S -","- C128 H132 Cl4 N20 O4 P4 Pd4 S4 -","4","1","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.0269","0.0223","","","0.0556","0.0583","","","","","","1.024","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057430","32.724","0.009","8.83","0.002","35.834","0.01","90","","108.159","0.003","90","","9839","4","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl N5 O P Pd S -","- C33 H35 Cl N5 O P Pd S -","- C396 H420 Cl12 N60 O12 P12 Pd12 S12 -","12","3","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.0713","0.0539","","","0.1084","0.1163","","","","","","1.088","","","","has coordinates,has disorder","230385","2020-10-21","18:00:00",""
"7057431","10.0748","0.0019","11.326","0.002","15.049","0.003","90","","96.909","0.002","90","","1704.7","0.6","110.15","","110.15","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C34 H28 Cl N4 P Pd S -","- C34 H28 Cl N4 P Pd S -","- C68 H56 Cl2 N8 P2 Pd2 S2 -","2","1","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","0.71073","MoKα","","0.0155","0.0151","","","0.0396","0.0398","","","","","","1.043","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057432","9.5377","0.0005","9.5497","0.0005","35.8336","0.0014","90","","94.015","0.003","90","","3255.8","0.3","110.15","","110.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H34.5 Cl N4 O0.25 P Pd S -","- C34 H34.5 Cl N4 O0.25 P Pd S -","- C136 H138 Cl4 N16 O P4 Pd4 S4 -","4","1","","Haribabu, Jebiti; Tamizh, Manoharan Muthu; Balachandran, Chandrasekar; Arun, Yuvaraj; Bhuvanesh, Nattamai S. P.; Endo, Akira; Karvembu, Ramasamy","Synthesis, structures and mechanistic pathways of anticancer activity of palladium(ii) complexes with indole-3-carbaldehyde thiosemicarbazones","New Journal of Chemistry","2018","42","13","10818","","10.1039/C7NJ03743K","","","1.54178","CuKα","","0.0638","0.0488","","","0.1166","0.1221","","","","","","1.054","","","","has coordinates","230385","2020-10-21","18:00:00",""
"7057433","9.6142","0.0006","9.6671","0.0007","10.4555","0.0008","94.15","0.006","91.958","0.006","108.73","0.006","916.18","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl8 N6 Pd2 -","- C28 H38 Cl8 N6 Pd2 -","- C28 H38 Cl8 N6 Pd2 -","1","0.5","","Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta","Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling","New Journal of Chemistry","2018","42","12","10134","","10.1039/C8NJ00981C","","x-ray","0.71073","MoKα","","0.0294","0.0268","","","0.0623","0.0639","","","","","","1.069","","","","has coordinates","230559","2020-10-21","18:00:00",""
"7057434","19.2313","0.0004","9.3453","0.00016","21.9179","0.0005","90","","90","","90","","3939.13","0.14","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H38.5 Cl4 N6 O0.25 Pd2 -","- C36 H38.5 Cl4 N6 O0.25 Pd2 -","- C144 H154 Cl16 N24 O Pd8 -","4","0.5","","Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta","Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling","New Journal of Chemistry","2018","42","12","10134","","10.1039/C8NJ00981C","","x-ray","1.54184","CuKα","","0.0327","0.0291","","","0.0745","0.076","","","","","","1.108","","","","has coordinates","230559","2020-10-21","18:00:00",""
"7057435","8.5086","0.0005","9.6382","0.0007","11.0676","0.0009","87.99","0.006","85.619","0.006","74.108","0.006","870.29","0.11","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 Cl4 N6 Pd2 -","- C30 H42 Cl4 N6 Pd2 -","- C30 H42 Cl4 N6 Pd2 -","1","0.5","","Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta","Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling","New Journal of Chemistry","2018","42","12","10134","","10.1039/C8NJ00981C","","x-ray","1.54184","CuKα","","0.0644","0.0631","","","0.1538","0.1547","","","","","","1.157","","","","has coordinates","230559","2020-10-21","18:00:00",""
"7057436","11.7859","0.0014","17.1438","0.0016","23.6237","0.0017","90","","90.536","0.003","90","","4773.1","0.8","220","1","220","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H44 Cl10 N6 Pd2 -","- C39 H44 Cl10 N6 Pd2 -","- C156 H176 Cl40 N24 Pd8 -","4","1","","Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta","Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling","New Journal of Chemistry","2018","42","12","10134","","10.1039/C8NJ00981C","","x-ray","0.71073","MoKα","","0.1898","0.0837","","","0.188","0.2267","","","","","","0.983","","","","has coordinates,has disorder","230559","2020-10-21","18:00:00",""
"7057437","6.7039","0.0005","14.589","0.001","13.9378","0.0009","90","","96.283","0.006","90","","1354.97","0.16","100.08","0.02","100.08","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-chloroethylene-5-chloro-1,9-pyrazoloanthrone","","- C16 H10 Cl2 N2 O -","- C16 H10 Cl2 N2 O -","- C64 H40 Cl8 N8 O4 -","4","1","","Ganduri, Ramesh; Singh, Vikas; Biswas, Ansuman; Karothu, Durga Prasad; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Structural and biological evaluation of halogen derivatives of 1,9-pyrazoloanthrones towards the design of a specific potent inhibitor of c-Jun-N-terminal kinase (JNK)","New Journal of Chemistry","2018","42","13","10651","","10.1039/C8NJ00852C","","x-ray","0.71073","MoKα","","0.1271","0.0964","","","0.2226","0.2391","","","","","","1.111","","","","has coordinates","230384","2020-10-21","18:00:00",""
"7057438","31.6422","0.0002","9.3109","0.0001","24.2935","0.0002","90","","126.613","0.0006","90","","5745.02","0.1","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 Cl F6 N6.5 P Pt -","- C27 H23.5 Cl F6 N6.5 P Pt -","- C216 H188 Cl8 F48 N52 P8 Pt8 -","8","1","","Rana, Bidyut Kumar; Mishra, Snehasis; Sarkar, Deblina; Mondal, Tapan Kumar; Seth, Saikat K.; Bertolasi, Valerio; Das Saha, Krishna; Bielawski, Christopher W.; Isab, Anvarhusein A.; Dinda, Joydev","Isoelectronic Pt(ii)‒ and Au(iii)‒N-heterocyclic carbene complexes: a structural and biological comparison","New Journal of Chemistry","2018","42","13","10704","","10.1039/C8NJ01562G","","","0.71073","MoKα","","0.0566","0.0419","","","0.0986","0.1038","","","","","","1.046","","","","has coordinates","230372","2020-10-21","18:00:00",""
"7057439","8.5767","0.0012","14.938","0.002","24.059","0.003","90","","97.704","0.003","90","","3054.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Au Cl F12 N6 P2 -","- C26 H22 Au Cl F12 N6 P2 -","- C104 H88 Au4 Cl4 F48 N24 P8 -","4","1","","Rana, Bidyut Kumar; Mishra, Snehasis; Sarkar, Deblina; Mondal, Tapan Kumar; Seth, Saikat K.; Bertolasi, Valerio; Das Saha, Krishna; Bielawski, Christopher W.; Isab, Anvarhusein A.; Dinda, Joydev","Isoelectronic Pt(ii)‒ and Au(iii)‒N-heterocyclic carbene complexes: a structural and biological comparison","New Journal of Chemistry","2018","42","13","10704","","10.1039/C8NJ01562G","","","0.71073","MoKα","","0.0408","0.0318","","","0.0776","0.0814","","","","","","1.048","","","","has coordinates","230372","2020-10-21","18:00:00",""
"7057440","7.597","0.005","10.743","0.005","20.703","0.005","90","","90","","90","","1689.7","1.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-(pyrrolidin-1-yl)toluyl-quinoline","'6-(pyrrolidin-1-yl)-2-(p-tolyl)-4-(trifluoromethyl)quinoline'","","- C21 H19 F3 N2 -","- C21 H19 F3 N2 -","- C84 H76 F12 N8 -","4","1","","Bonacorso, Helio G.; Rodrigues, Melissa B.; Iglesias, Bernardo A.; da Silveira, Carolina H.; Feitosa, Sarah C.; Rosa, Wilian C.; Martins, Marcos A. P.; Frizzo, Clarissa P.; Zanatta, Nilo","New 2-(aryl/heteroaryl)-6-(morpholin-4-yl/pyrrolidin-1-yl)-(4-trifluoromethyl)quinolines: synthesis via Buchwald‒Hartwig amination, photophysics, and biomolecular binding properties","New Journal of Chemistry","2018","42","12","10024","","10.1039/C8NJ01120F","","x-ray","0.71073","MoKα","","0.0424","0.0355","","","0.085","0.0883","","","","","","1.058","","","","has coordinates","230556","2020-10-21","18:00:00",""
"7057441","8.532","0.008","7.552","0.007","13.582","0.012","90","","90","","90","","875.1","1.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Mo3 O10 Rb -","- Li Mo3 O10 Rb -","- Li4 Mo12 O40 Rb4 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0364","0.0243","","","0.0418","0.0451","","","","","","1.051","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057442","8.195","0.011","8.224","0.011","8.36","0.012","63.93","0.013","85.769","0.016","74.33","0.015","486.6","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cs K Mo3 O10 -","- Cs K Mo3 O10 -","- Cs2 K2 Mo6 O20 -","2","1","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0515","0.0393","","","0.0965","0.1069","","","","","","1.127","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057443","8.652","0.002","7.5688","0.0018","13.895","0.003","90","","90","","90","","909.9","0.4","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Li Mo3 O10 -","- Cs Li Mo3 O10 -","- Cs4 Li4 Mo12 O40 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0264","0.0208","","","0.0394","0.0443","","","","","","1.087","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057444","7.75","0.005","7.612","0.005","15.6","0.01","90","","90","","90","","920.3","1","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cs Mo3 Na O10 -","- Cs Mo3 Na O10 -","- Cs4 Mo12 Na4 O40 -","4","0.5","","Han, Shujuan; Zhang, Bingbing; Tong, Tinghao; Yang, Zhihua; Pan, Shilie","Four alkali metal molybdates with two types of Mo‒O chains, ABMo3O10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties","New Journal of Chemistry","2018","42","13","10879","","10.1039/C8NJ01893F","","","0.71073","MoKα","","0.0331","0.0246","","","0.0454","0.048","","","","","","1.03","","","","has coordinates","230367","2020-10-21","18:00:00",""
"7057445","10.0651","0.0003","33.3266","0.0012","9.1584","0.0003","90","","115.529","0.001","90","","2772.12","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd N2 O6 -","- C30 H26 Cd N2 O6 -","- C120 H104 Cd4 N8 O24 -","4","0.5","","Dutta, Basudeb; Dey, Arka; Naskar, Kaushik; Maity, Suvendu; Ahmed, Faruk; Islam, Sakhiul; Sinha, Chittaranjan; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Two isostructural linear coordination polymers: the size of the metal ion impacts the electrical conductivity","New Journal of Chemistry","2018","42","12","10309","","10.1039/C8NJ01109E","","","0.71073","MoKα","","0.0334","0.0276","","","0.0633","0.0668","","","","","","1.077","","","","has coordinates,has disorder","230551","2020-10-21","18:00:00",""
"7057446","9.83","0.0005","32.8664","0.0017","9.1401","0.0005","90","","115.385","0.002","90","","2667.8","0.2","294","2","294.62","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O6 Zn -","- C30 H26 N2 O6 Zn -","- C120 H104 N8 O24 Zn4 -","4","0.5","","Dutta, Basudeb; Dey, Arka; Naskar, Kaushik; Maity, Suvendu; Ahmed, Faruk; Islam, Sakhiul; Sinha, Chittaranjan; Ghosh, Prasanta; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Two isostructural linear coordination polymers: the size of the metal ion impacts the electrical conductivity","New Journal of Chemistry","2018","42","12","10309","","10.1039/C8NJ01109E","","","0.71073","MoKα","","0.0377","0.0337","","","0.0791","0.0831","","","","","","1.112","","","","has coordinates,has disorder","230551","2020-10-21","18:00:00",""
"7057447","7.7918","0.0003","10.4242","0.0004","29.289","0.0013","90","","90","","90","","2378.95","0.17","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H10 N10 O7 -","- C4 H10 N10 O7 -","- C32 H80 N80 O56 -","8","1","","Cao, Yupeng; Huang, Haifeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong","Synthesis and properties of 5,5′-dinitramino-3,3′-bi(1,2,4-oxadiazole) and its energetic salts","New Journal of Chemistry","2018","42","14","11390","","10.1039/C8NJ01683F","","","0.71073","MoKα","","0.0379","0.0319","","","0.1022","0.1105","","","","","","1.09","","","","has coordinates","230401","2020-10-21","18:00:00",""
"7057448","9.6876","0.0012","16.245","0.002","13.2988","0.0018","90","","105.104","0.013","90","","2020.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 S -","- C22 H28 N2 S -","- C88 H112 N8 S4 -","4","1","","Saha, Monochura; Ghosh, Sanjib; Bandyopadhyay, Subhajit","Strain, switching and fluorescence behavior of a nine-membered cyclic azobenzene","New Journal of Chemistry","2018","42","13","10784","","10.1039/C8NJ01643G","","x-ray","0.71073","MoKα","","0.2016","0.0701","","","0.1429","0.1842","","","","","","1.768","","","","has coordinates","230379","2020-10-21","18:00:00",""
"7057449","8.913","0.0018","14.057","0.003","6.573","0.0013","90","","90","","90","","823.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H2 N8 O4 -","- C5 H2 N8 O4 -","- C20 H8 N32 O16 -","4","1","","Ma, Congming; Pan, Yong; Jiang, Juncheng; Liu, Zuliang; Yao, Qizheng","Synthesis and thermal behavior of a fused, tricyclic pyridine-based energetic material: 4-amino-5-nitro-[1,2,5]oxadiazolo[3,4-e]tetra-zolo[1,5-a]pyridine-3-oxide","New Journal of Chemistry","2018","42","14","11259","","10.1039/C8NJ01341A","","","0.71073","MoKα","","0.057","0.0456","","","0.1156","0.1277","","","","","","1.068","","","","has coordinates","230415","2020-10-21","18:00:00",""
"7057450","20.224","0.005","17.273","0.005","18.775","0.005","90","0.005","115.43","0.005","90","0.005","5923","3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cr2 N8 O31.5 Ta2 -","- C52 H42 Cr2 N8 O31.5 Ta2 -","- C208 H168 Cr8 N32 O126 Ta8 -","4","1","","Androš Dubraja, Lidija; Jurić, Marijana; Lafargue-Dit-Hauret, William; Pajić, Damir; Zorko, Andrej; Ozarowski, Andrew; Rocquefelte, Xavier","First crystal structures of oxo-bridged [CrIIITaV] dinuclear complexes: spectroscopic, magnetic and theoretical investigations of the Cr‒O‒Ta core","New Journal of Chemistry","2018","42","13","10912","","10.1039/C8NJ01493K","","","1.54179","CuKα","","0.0377","0.0371","","","0.0981","0.0986","","","","","","1.07","","","","has coordinates","230381","2020-10-21","18:00:00",""
"7057451","10.798","0.002","10.916","0.002","18.81","0.003","88.151","0.008","82.753","0.008","78.767","0.009","2157.2","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 Cr N6 O21.5 Ta -","- C39 H29 Cr N6 O21.5 Ta -","- C78 H58 Cr2 N12 O43 Ta2 -","2","1","","Androš Dubraja, Lidija; Jurić, Marijana; Lafargue-Dit-Hauret, William; Pajić, Damir; Zorko, Andrej; Ozarowski, Andrew; Rocquefelte, Xavier","First crystal structures of oxo-bridged [CrIIITaV] dinuclear complexes: spectroscopic, magnetic and theoretical investigations of the Cr‒O‒Ta core","New Journal of Chemistry","2018","42","13","10912","","10.1039/C8NJ01493K","","x-ray","0.71073","MoKα","","0.0517","0.0411","","","0.1006","0.1099","","","","","","1.1","","","","has coordinates","230381","2020-10-21","18:00:00",""
"7057452","28.7108","0.0008","15.6036","0.0004","46.7195","0.001","90","","93.399","0.002","90","","20893.1","0.9","303","1","303","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H47 Eu N4 O6 -","- C56 H47 Eu N4 O6 -","- C896 H752 Eu16 N64 O96 -","16","2","","Scrivanti, Alberto; Bortoluzzi, Marco; Morandini, Andrea; Dolmella, Alessandro; Enrichi, Francesco; Mazzaro, Raffaello; Vomiero, Alberto","Luminescent europium(iii) complexes containing an electron rich 1,2,3-triazolyl-pyridyl ligand","New Journal of Chemistry","2018","42","13","11064","","10.1039/C8NJ01390J","","x-ray","0.71073","MoKα","","0.1088","0.071","","","0.1736","0.1954","","","","","","1.058","","","","has coordinates,has disorder","230378","2020-10-21","18:00:00",""
"7057453","20.4743","0.001","14.5386","0.0006","7.5277","0.0004","90","","100.385","0.003","90","","2204.05","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Br N2 -","- C22 H35 Br N2 -","- C88 H140 Br4 N8 -","4","1","","Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent","Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals","New Journal of Chemistry","2018","42","12","10421","","10.1039/C8NJ01609G","","","0.71073","MoKα","","0.1026","0.0608","","","0.1316","0.1647","","","","","","1.162","","","","has coordinates","230553","2020-10-21","18:00:00",""
"7057454","8.3458","0.0008","10.7404","0.0011","26.252","0.003","79.541","0.002","87.329","0.002","89.045","0.002","2311.5","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H33 F6 N2 P -","- C21 H33 F6 N2 P -","- C84 H132 F24 N8 P4 -","4","2","","Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent","Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals","New Journal of Chemistry","2018","42","12","10421","","10.1039/C8NJ01609G","","","0.71073","MoKα","","0.1358","0.0719","","","0.1765","0.2058","","","","","","1.033","","","","has coordinates","230553","2020-10-21","18:00:00",""
"7057455","19.1863","0.0015","14.2196","0.0012","8.141","0.0006","90","","98.485","0.002","90","","2196.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Br N2 -","- C22 H35 Br N2 -","- C88 H140 Br4 N8 -","4","1","","Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent","Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals","New Journal of Chemistry","2018","42","12","10421","","10.1039/C8NJ01609G","","","0.71073","MoKα","","0.0764","0.042","","","0.093","0.1062","","","","","","1.004","","","","has coordinates","230553","2020-10-21","18:00:00",""
"7057456","28.2048","0.0007","14.7269","0.0004","7.943","0.0002","90","","91.506","0.002","90","","3298.14","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Br N2 O -","- C33 H57 Br N2 O -","- C132 H228 Br4 N8 O4 -","4","1","","Fouchet, Julien; Heinrich, Benoît; L’Her, Matthieu; Voirin, Emilie; Karmazin, Lydia; Bailly, Corinne; Welter, Richard; Mirjafari, Arsalan; Douce, Laurent","Heterogeneous microwave-assisted Ullmann type methodology for synthesis of rigid-core ionic liquid crystals","New Journal of Chemistry","2018","42","12","10421","","10.1039/C8NJ01609G","","","0.71073","MoKα","","0.0762","0.0439","","","0.089","0.1033","","","","","","1.022","","","","has coordinates","230553","2020-10-21","18:00:00",""
"7057457","9.4479","0.0007","5.5001","0.0003","10.065","0.0007","90","","112.633","0.009","90","","482.74","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-chloro (methylsulfonyl) methanesulfonate","","- C4 H9 Cl O5 S2 -","- C4 H9 Cl O5 S2 -","- C8 H18 Cl2 O10 S4 -","2","1","","Galván, J. E.; Defonsi Lestard, M. E.; Piro, O. E.; Echeverria, G.; Molina, R. D. I.; Arena, M. E.; Ulic, S. E.; Tuttolomondo, M. E.; Ben Altabef, A.","Synthesis, characterization and crystal structure of 2-chloroethyl(methylsulfonyl)methanesulfonate","New Journal of Chemistry","2018","42","13","11073","","10.1039/C7NJ05138G","","x-ray","1.54184","CuKα","","0.0459","0.0427","","","0.1081","0.1149","","","","","","1.081","","","","has coordinates","230392","2020-10-21","18:00:00",""
"7057458","14.0391","0.0017","16.899","0.002","8.88","0.0014","90","","109.629","0.005","90","","1984.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C24 H40 B2 F8 N12 O6 Zn -","- C24 H40 B2 F8 N12 O6 Zn -","- C48 H80 B4 F16 N24 O12 Zn2 -","2","0.25","","El-Massaoudi, Mohamed; Radi, Smaail; Salhi, Amin; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Adarsh, N. N.; Garcia, Yann","Novel 1D coordination polymers built from acyclic cryptate containing bis(1H-1,2,4-triazole) ligands and featuring coordinated counteranions","New Journal of Chemistry","2018","42","14","11324","","10.1039/C8NJ00799C","","","0.71073","MoKα","","0.0794","0.0573","","","0.1172","0.1258","","","","","","1.095","","","","has coordinates,has disorder","230408","2020-10-21","18:00:00",""
"7057459","13.9407","0.0014","16.0084","0.0015","8.8745","0.0011","90","","110.972","0.004","90","","1849.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu N14 O12 -","- C24 H40 Cu N14 O12 -","- C48 H80 Cu2 N28 O24 -","2","0.25","","El-Massaoudi, Mohamed; Radi, Smaail; Salhi, Amin; Mabkhot, Yahia N.; Al-Showiman, Salim S.; Ghabbour, Hazem A.; Adarsh, N. N.; Garcia, Yann","Novel 1D coordination polymers built from acyclic cryptate containing bis(1H-1,2,4-triazole) ligands and featuring coordinated counteranions","New Journal of Chemistry","2018","42","14","11324","","10.1039/C8NJ00799C","","","0.71073","MoKα","","0.098","0.078","","","0.2202","0.2405","","","","","","1.127","","","","has coordinates,has disorder","230408","2020-10-21","18:00:00",""
"7057460","6.2428","0.0008","8.2197","0.0011","8.6827","0.0011","98.535","0.002","107.446","0.002","103.743","0.002","401.12","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 B F3 N2 Se -","- C6 H4 B F3 N2 Se -","- C12 H8 B2 F6 N4 Se2 -","2","1","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.02","0.0178","","","0.0407","0.0416","","","","","","1.06","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057461","15.3016","0.0012","7.2586","0.0006","10.0368","0.0008","90","","118.332","0.003","90","","981.23","0.14","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H4 B Cl3 N2 Se -","- C6 H4 B Cl3 N2 Se -","- C24 H16 B4 Cl12 N8 Se4 -","4","0.5","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.018","0.0164","","","0.0475","0.0481","","","","","","1.016","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057462","7.5663","0.0002","7.3072","0.0002","19.0255","0.0006","90","","100.257","0.002","90","","1035.08","0.05","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 B Br3 N2 Se -","- C6 H4 B Br3 N2 Se -","- C24 H16 B4 Br12 N8 Se4 -","4","1","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.0389","0.0251","","","0.0498","0.0525","","","","","","1.04","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057463","14.9144","0.001","11.5744","0.0007","9.8898","0.0006","90","","127.603","0.002","90","","1352.57","0.15","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 B2 Cl6 N2 Se -","- C6 H4 B2 Cl6 N2 Se -","- C24 H16 B8 Cl24 N8 Se4 -","4","0.5","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.0283","0.0225","","","0.0513","0.053","","","","","","1.048","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057464","18.501","0.003","11.0747","0.001","19.1103","0.0018","90","","91.537","0.001","90","","3914.2","0.8","296","2","296.15","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H19 B N2 Se -","- C24 H19 B N2 Se -","- C192 H152 B8 N16 Se8 -","8","1","","Lee, Jiwon; Lee, Lucia Myongwon; Arnott, Zachary; Jenkins, Hilary; Britten, James F.; Vargas-Baca, Ignacio","Sigma-hole interactions in the molecular and crystal structures of N-boryl benzo-2,1,3-selenadiazoles","New Journal of Chemistry","2018","42","13","10555","","10.1039/C8NJ00553B","","","0.71073","MoKα","","0.0371","0.0263","","","0.0633","0.0676","","","","","","1.027","","","","has coordinates","230387","2020-10-21","18:00:00",""
"7057465","8.7381","0.0014","13.875","0.002","13.959","0.002","104.267","0.002","107.466","0.002","95.873","0.002","1535.9","0.4","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H27 B F2 O3 -","- C36 H27 B F2 O3 -","- C72 H54 B2 F4 O6 -","2","1","","Qi, Yunpeng; Liu, Wenjing; Wang, Yongtao; Ma, Lei; Yu, Yongjiang; Zhang, Yan; Ren, Litong","The inherent mechanism of mechanochromism under different stress: electron cloud density distribution, J-type stacking, pore structure and collapse of J-type stacking","New Journal of Chemistry","2018","42","14","11373","","10.1039/C7NJ04543C","","","0.71073","MoKα","","0.074","0.0528","","","0.152","0.1637","","","","","","1.077","","","","has coordinates","230414","2020-10-21","18:00:00",""
"7057466","9.1019","0.0006","10.2969","0.0007","16.7245","0.0011","101.283","0.005","93.743","0.004","90.043","0.004","1533.72","0.18","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H33 B F2 O3 -","- C39 H33 B F2 O3 -","- C78 H66 B2 F4 O6 -","2","1","","Qi, Yunpeng; Liu, Wenjing; Wang, Yongtao; Ma, Lei; Yu, Yongjiang; Zhang, Yan; Ren, Litong","The inherent mechanism of mechanochromism under different stress: electron cloud density distribution, J-type stacking, pore structure and collapse of J-type stacking","New Journal of Chemistry","2018","42","14","11373","","10.1039/C7NJ04543C","","","1.54178","CuKα","","0.1844","0.0956","","","0.1975","0.2341","","","","","","1.063","","","","has coordinates,has disorder","230414","2020-10-21","18:00:00",""
"7057467","9.321","0.006","10.078","0.006","18.829","0.012","80.622","0.012","79.03","0.013","85.715","0.012","1711.5","1.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H29 B F2 O3 -","- C37 H29 B F2 O3 -","- C74 H58 B2 F4 O6 -","2","1","","Qi, Yunpeng; Liu, Wenjing; Wang, Yongtao; Ma, Lei; Yu, Yongjiang; Zhang, Yan; Ren, Litong","The inherent mechanism of mechanochromism under different stress: electron cloud density distribution, J-type stacking, pore structure and collapse of J-type stacking","New Journal of Chemistry","2018","42","14","11373","","10.1039/C7NJ04543C","","","0.71073","MoKα","","0.2308","0.1119","","","0.248","0.2986","","","","","","0.93","","","","has coordinates","230414","2020-10-21","18:00:00",""
"7057468","9.2196","0.0017","9.9971","0.0018","21.908","0.004","91.519","0.002","90.59","0.002","95.333","0.002","2009.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H50 B F2 O3 -","- C47 H50 B F2 O3 -","- C94 H100 B2 F4 O6 -","2","1","","Qi, Yunpeng; Liu, Wenjing; Wang, Yongtao; Ma, Lei; Yu, Yongjiang; Zhang, Yan; Ren, Litong","The inherent mechanism of mechanochromism under different stress: electron cloud density distribution, J-type stacking, pore structure and collapse of J-type stacking","New Journal of Chemistry","2018","42","14","11373","","10.1039/C7NJ04543C","","","0.71073","MoKα","","0.1005","0.0529","","","0.1197","0.1417","","","","","","1.011","","","","has coordinates","230414","2020-10-21","18:00:00",""
"7057469","9.163","0.003","10.232","0.003","17.761","0.005","79.786","0.006","81.679","0.007","88.05","0.007","1621.5","0.8","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H37 B F2 O3 -","- C41 H37 B F2 O3 -","- C82 H74 B2 F4 O6 -","2","1","","Qi, Yunpeng; Liu, Wenjing; Wang, Yongtao; Ma, Lei; Yu, Yongjiang; Zhang, Yan; Ren, Litong","The inherent mechanism of mechanochromism under different stress: electron cloud density distribution, J-type stacking, pore structure and collapse of J-type stacking","New Journal of Chemistry","2018","42","14","11373","","10.1039/C7NJ04543C","","","0.71073","MoKα","","0.1789","0.0686","","","0.1566","0.2151","","","","","","0.962","","","","has coordinates,has disorder","230414","2020-10-21","18:00:00",""
"7057470","11.193","0.0001","8.6954","0.0001","24.4859","0.0004","90","","94.637","0.001","90","","2375.35","0.05","172.99","0.1","172.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2018Li01","","- C28 H28 N4 Ni -","- C28 H28 N4 Ni -","- C112 H112 N16 Ni4 -","4","1","","Wang, Zijing; Zheng, Tingting; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Sonogashira reactions of alkyl halides catalyzed by NHC [CNN] pincer nickel(ii) complexes","New Journal of Chemistry","2018","42","14","11465","","10.1039/C8NJ02138D","","x-ray","1.54184","CuKα","","0.095","0.0833","","","0.2237","0.2359","","","","","","0.9755","","","","has coordinates","230403","2020-10-21","18:00:00",""
"7057471","13.2701","0.0004","18.5437","0.0007","19.7957","0.0009","90","","91.102","0.002","90","","4870.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 B2 F8 Fe N4 O0.25 P3 -","- C49 H51 B2 F8 Fe N4 O0.25 P3 -","- C196 H204 B8 F32 Fe4 N16 O P12 -","4","1","","Yap, Chew Pheng; Ng, Jing Kuang; Madrahimov, Sherzod; Bengali, Ashfaq A.; Chwee, Tsz Sian; Fan, Wai Yip","Oxidation of aromatic alkenes and alkynes catalyzed by a hexa-acetonitrile iron(ii) ionic complex [Fe(CH3CN)6][BF4]2","New Journal of Chemistry","2018","42","13","11131","","10.1039/C8NJ02226G","","","0.71073","MoKα","","0.0349","0.0309","","","0.0781","0.0809","","","","","","1.02","","","","has coordinates,has disorder","230391","2020-10-21","18:00:00",""
"7057472","8.5159","0.0003","9.7262","0.0004","24.59","0.001","90","","90","","90","","2036.72","0.14","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Rh (n5-C5Me5)(dmen)Cl](CF3SO3)","","","- C15 H27 Cl F3 N2 O3 Rh S -","- C15 H27 Cl F3 N2 O3 Rh S -","- C60 H108 Cl4 F12 N8 O12 Rh4 S4 -","4","1","","Mészáros, János P.; Dömötör, Orsolya; Hackl, Carmen M.; Roller, Alexander; Keppler, Bernhard K.; Kandioller, Wolfgang; Enyedy, Éva A.","Structural and solution equilibrium studies on half-sandwich organorhodium complexes of (N,N) donor bidentate ligands","New Journal of Chemistry","2018","42","13","11174","","10.1039/C8NJ01681J","","","0.71073","MoKα","","0.0138","0.0135","","","0.034","0.0342","","","","","","1.097","","","","has coordinates","230375","2020-10-21","18:00:00",""
"7057473","13.0112","0.0004","37.673","0.0011","13.6054","0.0004","90","","91.5748","0.0009","90","","6666.5","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Rh(n5-C5Me5)(tmeda)Cl](CF3SO3)","","","- C51 H97 Cl3 F9 N6 O11 Rh3 S3 -","- C51 H97 Cl3 F9 N6 O11 Rh3 S3 -","- C204 H388 Cl12 F36 N24 O44 Rh12 S12 -","4","1","","Mészáros, János P.; Dömötör, Orsolya; Hackl, Carmen M.; Roller, Alexander; Keppler, Bernhard K.; Kandioller, Wolfgang; Enyedy, Éva A.","Structural and solution equilibrium studies on half-sandwich organorhodium complexes of (N,N) donor bidentate ligands","New Journal of Chemistry","2018","42","13","11174","","10.1039/C8NJ01681J","","x-ray","0.71073","MoKα","","0.0414","0.0298","","","0.0605","0.0646","","","","","","1.038","","","","has coordinates,has disorder","230375","2020-10-21","18:00:00",""
"7057474","8.6742","0.0003","14.5573","0.0006","14.6705","0.0006","90","","104.111","0.0013","90","","1796.59","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Rh(n5-C5Me5)(pin)Cl](Cl)","","","- C33 H50 Cl4 N4 O Rh2 -","- C33 H50 Cl4 N4 O Rh2 -","- C66 H100 Cl8 N8 O2 Rh4 -","2","0.5","","Mészáros, János P.; Dömötör, Orsolya; Hackl, Carmen M.; Roller, Alexander; Keppler, Bernhard K.; Kandioller, Wolfgang; Enyedy, Éva A.","Structural and solution equilibrium studies on half-sandwich organorhodium complexes of (N,N) donor bidentate ligands","New Journal of Chemistry","2018","42","13","11174","","10.1039/C8NJ01681J","","x-ray","0.71073","MoKα","","0.0224","0.0192","","","0.0474","0.0494","","","","","","1.075","","","","has coordinates","230375","2020-10-21","18:00:00",""
"7057475","25.637","0.011","16.148","0.007","35.826","0.015","90","","97.719","0.006","90","","14697","11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C90 H98 Cd2 Cl8 N50 O36 -","- C90 H98 Cd2 Cl8 N50 O36 -","- C360 H392 Cd8 Cl32 N200 O144 -","4","1","","Bai, Dong; Gao, Zhongzheng; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Wei, Gang; Liu, Qingyun; Redshaw, Carl","A study of the interaction between inverted cucurbit[6]uril and symmetric viologens","New Journal of Chemistry","2018","42","13","11085","","10.1039/C8NJ01589A","","","0.71073","MoKα","","0.082","0.0528","","","0.1347","0.1513","","","","","","0.951","","","","has coordinates","230390","2020-10-21","18:00:00",""
"7057476","23.0853","0.0019","24.898","0.002","24.78","0.003","90","","111.814","0.002","90","","13223","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H106 Cd2 Cl8 N50 O43 -","- C94 H106 Cd2 Cl8 N50 O43 -","- C376 H424 Cd8 Cl32 N200 O172 -","4","0.5","","Bai, Dong; Gao, Zhongzheng; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Wei, Gang; Liu, Qingyun; Redshaw, Carl","A study of the interaction between inverted cucurbit[6]uril and symmetric viologens","New Journal of Chemistry","2018","42","13","11085","","10.1039/C8NJ01589A","","","0.71073","MoKα","","0.0933","0.0608","","","0.1783","0.2117","","","","","","1.04","","","","has coordinates,has disorder","230390","2020-10-21","18:00:00",""
"7057477","14.9882","0.0011","15.3355","0.0011","23.6644","0.0017","83.034","0.002","79.11","0.002","61.125","0.002","4674.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C128 H144 Br9.56 Cd5 Cl10.44 N56 O30 -","- C128 H144 Br9.55 Cd5 Cl10.45 N56 O30 -","- C128 H144 Br9.55 Cd5 Cl10.45 N56 O30 -","1","0.5","","Bai, Dong; Gao, Zhongzheng; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Wei, Gang; Liu, Qingyun; Redshaw, Carl","A study of the interaction between inverted cucurbit[6]uril and symmetric viologens","New Journal of Chemistry","2018","42","13","11085","","10.1039/C8NJ01589A","","","0.71073","MoKα","","0.2331","0.1773","","","0.4824","0.5171","","","","","","1.96","","","","has coordinates,has disorder","230390","2020-10-21","18:00:00",""
"7057478","8.6022","0.0001","10.3705","0.0002","14.6183","0.0002","72.2224","0.0006","77.6107","0.0006","77.8137","0.0006","1197.94","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H52 Cl2 Cu2 Fe2 N2 O2 P2 -","- C54 H52 Cl2 Cu2 Fe2 N2 O2 P2 -","- C54 H52 Cl2 Cu2 Fe2 N2 O2 P2 -","1","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0263","0.0229","","","0.0593","0.0613","","","","","","1.048","","","","has coordinates","230405","2020-10-21","18:00:00",""
"7057479","9.8304","0.0003","10.1402","0.0003","14.1354","0.0003","93.4567","0.001","104.929","0.001","111.613","0.001","1246.73","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H52 Cu2 Fe2 I2 N2 O2 P2 -","- C54 H52 Cu2 Fe2 I2 N2 O2 P2 -","- C54 H52 Cu2 Fe2 I2 N2 O2 P2 -","1","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0316","0.0248","","","0.0531","0.056","","","","","","1.041","","","","has coordinates","230405","2020-10-21","18:00:00",""
"7057480","14.6573","0.0006","19.9271","0.0007","16.6591","0.0007","90","","94.443","0.002","90","","4851.1","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Au Cl Fe2 N2 O6 P2 -","- C54 H52 Au Cl Fe2 N2 O6 P2 -","- C216 H208 Au4 Cl4 Fe8 N8 O24 P8 -","4","1","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0368","0.0313","","","0.0706","0.0725","","","","","","1.064","","","","has coordinates,has disorder","230405","2020-10-21","18:00:00",""
"7057481","24.301","0.0004","11.9534","0.0003","19.8877","0.0003","90","","111.293","0.0006","90","","5382.61","0.18","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cl2 Cu F6 Fe2 N2 O2 P3 -","- C56 H52 Cl2 Cu F6 Fe2 N2 O2 P3 -","- C224 H208 Cl8 Cu4 F24 Fe8 N8 O8 P12 -","4","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.037","0.0335","","","0.0826","0.0843","","","","","","1.053","","","","has coordinates,has disorder","230405","2020-10-21","18:00:00",""
"7057482","8.7044","0.0002","10.3913","0.0003","14.6913","0.0004","71.924","0.0008","76.6777","0.001","76.9869","0.0009","1212.17","0.06","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H52 Br2 Cu2 Fe2 N2 O2 P2 -","- C54 H52 Br2 Cu2 Fe2 N2 O2 P2 -","- C54 H52 Br2 Cu2 Fe2 N2 O2 P2 -","1","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0257","0.0213","","","0.0511","0.0526","","","","","","1.044","","","","has coordinates","230405","2020-10-21","18:00:00",""
"7057483","11.4719","0.0003","12.1037","0.0003","17.9417","0.0004","90","","100.163","0.0009","90","","2452.16","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 Ag2 Cl2 Fe2 N2 O2 P2 -","- C54 H52 Ag2 Cl2 Fe2 N2 O2 P2 -","- C108 H104 Ag4 Cl4 Fe4 N4 O4 P4 -","2","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0375","0.0282","","","0.0634","0.0678","","","","","","1.072","","","","has coordinates,has disorder","230405","2020-10-21","18:00:00",""
"7057484","11.2448","0.0007","19.9704","0.0014","11.2323","0.0008","90","","90","","90","","2522.4","0.3","120","2","120","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C54 H52 Ag Cl Fe2 N2 O6 P2 -","- C54 H52 Ag Cl Fe2 N2 O6 P2 -","- C108 H104 Ag2 Cl2 Fe4 N4 O12 P4 -","2","0.5","","Bárta, Ondřej; Drusan, Michal; Císařová, Ivana; Šebesta, Radovan; Štěpnička, Petr","Synthesis and structural characterisation of Group 11 metal complexes with a phosphinoferrocene oxazoline","New Journal of Chemistry","2018","42","14","11450","","10.1039/C8NJ02101E","","","0.71073","MoKα","","0.0171","0.0169","","","0.0403","0.0404","","","","","","1.056","","","","has coordinates","230405","2020-10-21","18:00:00",""
"7057485","7.3601","0.0017","9.2198","0.0016","15.8574","0.0017","82.112","0.012","84.799","0.015","82.514","0.017","1053.9","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N3 O2 S -","- C24 H23 N3 O2 S -","- C48 H46 N6 O4 S2 -","2","1","","Kumar, Ashish; Mondal, Surajit; Kayshap, Kumari Somlata; Hira, Sumit Kumar; Manna, Partha Pratim; Dehaen, Wim; Dey, Swapan","Water switched aggregation/disaggregation strategies of a coumarin‒naphthalene conjugated sensor and its selectivity towards Cu2+ and Ag+ ions along with cell imaging studies on human osteosarcoma cells (U-2 OS)","New Journal of Chemistry","2018","42","13","10983","","10.1039/C8NJ01631C","","","0.71073","MoKα","","0.2316","0.0905","","","0.1957","0.292","","","","","","0.907","","","","has coordinates","230394","2020-10-21","18:00:00",""
"7057486","8.0084","0.0003","8.1626","0.0003","8.5962","0.0003","63.646","0.002","69.49","0.002","73.138","0.002","465.51","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C22 H22 N2 O6 -","2","1","","Kumar, K. Shiva; Ramulu, Meesa Siddi; Kumar, N. Praveen","Unexpected C‒N bond formation via Smiles rearrangement: one pot synthesis of N-arylated coumarin/pyran derivatives","New Journal of Chemistry","2018","42","14","11276","","10.1039/C8NJ02109K","","","0.71073","MoKα","","0.0484","0.0374","","","0.0976","0.1044","","","","","","1.066","","","","has coordinates","230400","2020-10-21","18:00:00",""
"7057487","10.9327","0.0006","12.6897","0.0009","23.7448","0.0011","90","","99.417","0.004","90","","3249.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 N6 O4 S -","- C32 H42 N6 O4 S -","- C128 H168 N24 O16 S4 -","4","1","","Coman, Anca G.; Paun, Anca; Popescu, Codruţa C.; Hădade, Niculina D.; Anghel, Cătălin C.; Mădălan, Augustin M.; Ioniţă, Petre; Matache, Mihaela","Conformation-induced light emission switching of N-acylhydrazone systems","New Journal of Chemistry","2018","42","17","14111","","10.1039/C8NJ01880D","","","0.71073","MoKα","","0.1615","0.0534","","","0.1216","0.1508","","","","","","0.761","","","","has coordinates","230282","2020-10-21","18:00:00",""
"7057488","11.036","0.002","13.9465","0.0018","21.165","0.003","90","","95.814","0.015","90","","3240.8","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N6 O4 -","- C34 H44 N6 O4 -","- C136 H176 N24 O16 -","4","1","","Coman, Anca G.; Paun, Anca; Popescu, Codruţa C.; Hădade, Niculina D.; Anghel, Cătălin C.; Mădălan, Augustin M.; Ioniţă, Petre; Matache, Mihaela","Conformation-induced light emission switching of N-acylhydrazone systems","New Journal of Chemistry","2018","42","17","14111","","10.1039/C8NJ01880D","","","0.71073","MoKα","","0.25","0.083","","","0.1731","0.2465","","","","","","0.995","","","","has coordinates","230282","2020-10-21","18:00:00",""
"7057489","21.3265","0.0019","14.8427","0.0014","10.2658","0.0011","90","","116.769","0.003","90","","2901.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O4 S3 Sn2 -","- C12 H22 N2 O4 S3 Sn2 -","- C48 H88 N8 O16 S12 Sn8 -","4","0.5","","Yan, Fei-Fei; Ma, Chun-Lin; Li, Qian-Li; Zhang, Shao-Liang; Ru, Jing; Cheng, Shuang; Zhang, Ru-Fen","Syntheses, structures and anti-tumor activity of four organotin(iv) dicarboxylates based on (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid","New Journal of Chemistry","2018","42","14","11601","","10.1039/C8NJ00431E","","","0.71073","MoKα","","0.0567","0.0358","","","0.0764","0.0818","","","","","","0.877","","","","has coordinates","230404","2020-10-21","18:00:00",""
"7057490","8.7371","0.0007","27.488","0.002","9.268","0.0009","90","","112.127","0.003","90","","2061.9","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O4 S3 Sn -","- C14 H22 N2 O4 S3 Sn -","- C56 H88 N8 O16 S12 Sn4 -","4","1","","Yan, Fei-Fei; Ma, Chun-Lin; Li, Qian-Li; Zhang, Shao-Liang; Ru, Jing; Cheng, Shuang; Zhang, Ru-Fen","Syntheses, structures and anti-tumor activity of four organotin(iv) dicarboxylates based on (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid","New Journal of Chemistry","2018","42","14","11601","","10.1039/C8NJ00431E","","","0.71073","MoKα","","0.1855","0.0975","","","0.2546","0.3012","","","","","","0.971","","","","has coordinates","230404","2020-10-21","18:00:00",""
"7057491","10.5168","0.0009","20.5001","0.0018","21.9159","0.0019","64.896","0.001","78.756","0.001","89.76","0.002","4180.1","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H116 N4 O8 S6 Sn4 -","- C60 H116 N4 O8 S6 Sn4 -","- C120 H232 N8 O16 S12 Sn8 -","2","1","","Yan, Fei-Fei; Ma, Chun-Lin; Li, Qian-Li; Zhang, Shao-Liang; Ru, Jing; Cheng, Shuang; Zhang, Ru-Fen","Syntheses, structures and anti-tumor activity of four organotin(iv) dicarboxylates based on (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid","New Journal of Chemistry","2018","42","14","11601","","10.1039/C8NJ00431E","","","0.71073","MoKα","","0.1842","0.0868","","","0.2004","0.2205","","","","","","1.136","","","","has coordinates","230404","2020-10-21","18:00:00",""
"7057492","12.8556","0.0011","8.8721","0.0008","16.7333","0.0014","90","","105.272","0.003","90","","1841.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 N2 O5 S3 Sn2 -","- C10 H16 N2 O5 S3 Sn2 -","- C40 H64 N8 O20 S12 Sn8 -","4","1","","Yan, Fei-Fei; Ma, Chun-Lin; Li, Qian-Li; Zhang, Shao-Liang; Ru, Jing; Cheng, Shuang; Zhang, Ru-Fen","Syntheses, structures and anti-tumor activity of four organotin(iv) dicarboxylates based on (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid","New Journal of Chemistry","2018","42","14","11601","","10.1039/C8NJ00431E","","","0.71073","MoKα","","0.0655","0.0497","","","0.1307","0.1433","","","","","","1.058","","","","has coordinates","230404","2020-10-21","18:00:00",""
"7057493","15.587","0.0006","10.2189","0.0004","21.557","0.0008","90","","104.022","0.002","90","","3331.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 N6 O4 Zn -","- C38 H36 N6 O4 Zn -","- C152 H144 N24 O16 Zn4 -","4","1","","Sohrabi, Marzieh; Amirnasr, Mehdi; Meghdadi, Soraia; Lutz, Martin; Bikhof Torbati, Maryam; Farrokhpour, Hossein","A highly selective fluorescence turn-on chemosensor for Zn2+, and its application in live cell imaging, and as a colorimetric sensor for Co2+: experimental and TD-DFT calculations","New Journal of Chemistry","2018","42","15","12595","","10.1039/C8NJ01580E","","","0.71073","MoKα","","0.0705","0.0463","","","0.1086","0.1198","","","","","","1.042","","","","has coordinates","230453","2020-10-21","18:00:00",""
"7057494","19.1634","0.0007","17.2152","0.0006","22.4329","0.0008","90","","114.621","0.001","90","","6727.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134 H138 Gd4 N18 O16 -","- C134 H136 Gd4 N18 O16 -","- C268 H272 Gd8 N36 O32 -","2","0.5","","Fang, Ming; Shao, Li-Jun; Shi, Tian-Xing; Chen, Ying-Ying; Yu, Hong; Li, Peng-Fei; Wang, Wen-Min; Zhao, Bin","Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin derivatives: magnetic refrigeration and single-molecule magnet behaviour","New Journal of Chemistry","2018","42","14","11847","","10.1039/C8NJ02161A","","","0.71073","MoKα","","0.0504","0.0327","","","0.074","0.0844","","","","","","1.09","","","","has coordinates,has disorder","230399","2020-10-21","18:00:00",""
"7057495","18.9972","0.0007","17.3458","0.0006","22.3245","0.0008","90","","114.828","0.001","90","","6676.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134 H138 Dy4 N18 O16 -","- C134 H136 Dy4 N18 O16 -","- C268 H272 Dy8 N36 O32 -","2","0.5","","Fang, Ming; Shao, Li-Jun; Shi, Tian-Xing; Chen, Ying-Ying; Yu, Hong; Li, Peng-Fei; Wang, Wen-Min; Zhao, Bin","Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin derivatives: magnetic refrigeration and single-molecule magnet behaviour","New Journal of Chemistry","2018","42","14","11847","","10.1039/C8NJ02161A","","","0.71073","MoKα","","0.0399","0.0324","","","0.0754","0.0785","","","","","","1.055","","","","has coordinates,has disorder","230399","2020-10-21","18:00:00",""
"7057496","19.1765","0.0013","17.177","0.0011","22.4477","0.0014","90","","114.52","0.002","90","","6727.3","0.8","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134 H138 Ho4 N18 O16 -","- C134 H136 Ho4 N18 O16 -","- C268 H272 Ho8 N36 O32 -","2","0.5","","Fang, Ming; Shao, Li-Jun; Shi, Tian-Xing; Chen, Ying-Ying; Yu, Hong; Li, Peng-Fei; Wang, Wen-Min; Zhao, Bin","Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin derivatives: magnetic refrigeration and single-molecule magnet behaviour","New Journal of Chemistry","2018","42","14","11847","","10.1039/C8NJ02161A","","","0.71073","MoKα","","0.0789","0.0587","","","0.1465","0.1631","","","","","","1.056","","","","has coordinates,has disorder","230399","2020-10-21","18:00:00",""
"7057497","18.975","0.003","17.373","0.002","22.32","0.003","90","","114.548","0.004","90","","6692.8","1.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C134 H144 N18 O19 Tb4 -","- C134 H108 N18 O19 Tb4 -","- C268 H216 N36 O38 Tb8 -","2","0.5","","Fang, Ming; Shao, Li-Jun; Shi, Tian-Xing; Chen, Ying-Ying; Yu, Hong; Li, Peng-Fei; Wang, Wen-Min; Zhao, Bin","Four tetra-nuclear lanthanide complexes based on 8-hydroxyquinolin derivatives: magnetic refrigeration and single-molecule magnet behaviour","New Journal of Chemistry","2018","42","14","11847","","10.1039/C8NJ02161A","","","0.71073","MoKα","","0.0379","0.0341","","","0.1001","0.1025","","","","","","1.029","","","","has coordinates,has disorder","230399","2020-10-21","18:00:00",""
"7057498","16.4181","0.0006","12.7243","0.0004","16.7191","0.0005","90","","110.964","0.001","90","","3261.57","0.19","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H112 Cu3 N10 O31 P2 -","- C38 H112 Cu3 N10 O31 P2 -","- C76 H224 Cu6 N20 O62 P4 -","2","1","","Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan","Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms","New Journal of Chemistry","2018","42","14","11908","","10.1039/C8NJ00419F","","","0.71073","MoKα","","0.0441","0.0357","","","0.0797","0.0829","","","","","","0.997","","","","has coordinates","230402","2020-10-21","18:00:00",""
"7057499","20.9911","0.0014","8.5375","0.0005","15.9311","0.0009","90","","93.605","0.002","90","","2849.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16.5 H44 Cl Cu2 N4 O13.5 P2 -","- C16.5 H44 Cl Cu2 N4 O13.5 P2 -","- C66 H176 Cl4 Cu8 N16 O54 P8 -","4","1","","Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan","Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms","New Journal of Chemistry","2018","42","14","11908","","10.1039/C8NJ00419F","","","0.71073","MoKα","","0.0479","0.0398","","","0.0888","0.092","","","","","","1.108","","","","has coordinates","230402","2020-10-21","18:00:00",""
"7057500","8.0138","0.0002","8.3802","0.0002","19.8594","0.0005","92.912","0.001","101.06","0.001","102.543","0.001","1271.73","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H41 Cu Li N5 O10 P -","- C17 H41 Cu Li N5 O10 P -","- C34 H82 Cu2 Li2 N10 O20 P2 -","2","1","","Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan","Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms","New Journal of Chemistry","2018","42","14","11908","","10.1039/C8NJ00419F","","","0.71073","MoKα","","0.028","0.0255","","","0.0682","0.0697","","","","","","1.082","","","","has coordinates","230402","2020-10-21","18:00:00",""
"7057501","7.303","0.0003","8.5648","0.0004","16.4814","0.0007","91.471","0.001","96.52","0.001","112.988","0.001","940.12","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H35 N4 O4 P -","- C14 H35 N4 O4 P -","- C28 H70 N8 O8 P2 -","2","1","","Paúrová, Monika; David, Tomáš; Císařová, Ivana; Lubal, Přemysl; Hermann, Petr; Kotek, Jan","Optimization of the selectivity and rate of copper radioisotope complexation: formation and dissociation kinetic studies of 1,4,8-trimethylcyclam-based ligands with different coordinating pendant arms","New Journal of Chemistry","2018","42","14","11908","","10.1039/C8NJ00419F","","","1.54178","CuKα","","0.0337","0.0304","","","0.0878","0.0983","","","","","","1.118","","","","has coordinates","230402","2020-10-21","18:00:00",""
"7057502","6.7825","0.0001","12.1423","0.0002","22.271","0.0004","90","","90","","90","","1834.13","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Fe N O3 S -","- C21 H17 Fe N O3 S -","- C84 H68 Fe4 N4 O12 S4 -","4","1","","Shinde, Dilip Nivrutti; Trivedi, Rajiv; Krishna, Jonnadula V. S.; Giribabu, L.; Sridhar, B.; Khursade, Parag S.; Prakasham, R. S.","N-Arylation of ferrocenyl 2,4-thiazolidinedione conjugates via a copper-catalysed Chan‒Lam cross coupling reaction with aryl boronic acids and their optoelectronic properties","New Journal of Chemistry","2018","42","15","12587","","10.1039/C8NJ01598H","","","0.71073","MoKα","","0.1522","0.0609","","","0.0894","0.108","","","","","","1.004","","","","has coordinates","230465","2020-10-21","18:00:00",""
"7057503","9.764","0.002","14.74","0.003","24.007","0.005","90","","90","","90","","3455.1","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N4 O9 -","- C32 H32 N4 O9 -","- C128 H128 N16 O36 -","4","1","","Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro","Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction","New Journal of Chemistry","2018","42","14","12072","","10.1039/C8NJ01930D","","","0.71073","MoKα","","0.0442","0.039","","","0.1","0.1039","","","","","","1.046","","","","has coordinates","230413","2020-10-21","18:00:00",""
"7057504","10.517","0.005","11.646","0.005","22.808","0.005","90","","90","","90","","2793.5","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H36 N2 O -","- C35 H36 N2 O -","- C140 H144 N8 O4 -","4","1","","Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro","Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction","New Journal of Chemistry","2018","42","14","12072","","10.1039/C8NJ01930D","","","0.71073","MoKα","","0.0645","0.0471","","","0.1084","0.119","","","","","","1.034","","","","has coordinates","230413","2020-10-21","18:00:00",""
"7057505","19.0262","0.0008","12.6963","0.0008","13.6195","0.0008","90","","97.93","0.02","90","","3258.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl2 Cu N4 O8 -","- C30 H33 Cl2 Cu N4 O8 -","- C120 H132 Cl8 Cu4 N16 O32 -","4","1","","Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro","Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction","New Journal of Chemistry","2018","42","14","12072","","10.1039/C8NJ01930D","","","0.71073","MoKα","","0.1445","0.0773","","","0.1499","0.1786","","","","","","1.068","","","","has coordinates","230413","2020-10-21","18:00:00",""
"7057506","5.2976","0.0005","13.2046","0.0013","15.2907","0.0016","90","","90","","90","","1069.63","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C40 H56 N8 O16 -","4","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study","New Journal of Chemistry","2018","42","14","12134","","10.1039/C8NJ02194E","","","0.71073","MoKα","","0.0272","0.0256","","","0.0671","0.0689","","","","","","1.045","","","","has coordinates","230411","2020-10-21","18:00:00",""
"7057507","4.932","0.002","20.575","0.003","10.644","0.002","90","","97.413","0.002","90","","1071.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C40 H56 N8 O16 -","4","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study","New Journal of Chemistry","2018","42","14","12134","","10.1039/C8NJ02194E","","","0.71073","MoKα","","0.0266","0.026","","","0.0687","0.0693","","","","","","1.064","","","","has coordinates","230411","2020-10-21","18:00:00",""
"7057508","10.144","0.002","5.166","0.002","19.037","0.003","90","","104.248","0.003","90","","966.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N4 O8 -","- C18 H24 N4 O8 -","- C36 H48 N8 O16 -","2","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study","New Journal of Chemistry","2018","42","14","12134","","10.1039/C8NJ02194E","","","0.71073","MoKα","","0.0314","0.0298","","","0.0762","0.0776","","","","","","1.054","","","","has coordinates","230411","2020-10-21","18:00:00",""
"7057509","19.931","0.003","6.4376","0.0009","21.314","0.003","90","","100.969","0.005","90","","2684.8","0.7","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Br3 N3 O3 -","- C27 H18 Br3 N3 O3 -","- C108 H72 Br12 N12 O12 -","4","1","","Triadon, Amédée; Ngo Ndimba, Alphonsine; Richy, Nicolas; Amar, Anissa; Boucekkine, Abdou; Roisnel, Thierry; Cifuentes, Marie P.; Humphrey, Mark G.; Blanchard-Desce, Mireille; Mongin, Olivier; Paul, Frédéric","Diphenylamino-substituted tristyryl vs. triphenyl isocyanurates: improved conjugation has minimal impact on two-photon absorption","New Journal of Chemistry","2018","42","14","11289","","10.1039/C8NJ01904E","","x-ray","0.71073","MoKα","","0.1285","0.0913","","","0.1812","0.1942","","","","","","1.163","","","","has coordinates","230410","2020-10-21","18:00:00",""
"7057510","14.103","0.005","10.167","0.004","10.86","0.004","90","","106.765","0.004","90","","1491","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H6 N O18 -","- B11 H6 N O18 -","- B44 H24 N4 O72 -","4","0.5","","Huang, Chunmei; Zhang, Fangfang; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","NH4B11O16(OH)2: a new ammonium borate with wavy-shaped polycyclic 2∞[B11O16(OH)2] layers","New Journal of Chemistry","2018","42","14","12091","","10.1039/C8NJ02359J","","","0.71073","MoKα","","0.0938","0.0476","","","0.0904","0.1099","","","","","","1.071","","","","has coordinates","230397","2020-10-21","18:00:00",""
"7057511","11.6585","0.0005","21.7777","0.001","24.1796","0.0012","106.086","0.004","90.174","0.004","94.037","0.004","5882.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H156 La2 N2 O46 Ti6 -","- C74 La2 N2 O46 Ti6 -","- C148 La4 N4 O92 Ti12 -","2","1","","Luo, Wen; Hou, Jin-Le; Zou, Dan-Hong; Cui, Li-Na; Zhu, Qin-Yu; Dai, Jie","Lanthanide‒titanium-oxalate clusters and their degradation products, photocurrent response and photocatalytic behaviours","New Journal of Chemistry","2018","42","14","11629","","10.1039/C8NJ02247J","","","0.71073","MoKα","","0.1078","0.056","","","0.144","0.1661","","","","","","1.027","","","","has coordinates","230412","2020-10-21","18:00:00",""
"7057512","11.3596","0.0006","21.1998","0.0012","23.9317","0.0013","105.415","0.001","90.382","0.001","94.515","0.001","5536.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H156 Ce2 N2 O46 Ti6 -","- C74 Ce2 N2 O46 Ti6 -","- C148 Ce4 N4 O92 Ti12 -","2","1","","Luo, Wen; Hou, Jin-Le; Zou, Dan-Hong; Cui, Li-Na; Zhu, Qin-Yu; Dai, Jie","Lanthanide‒titanium-oxalate clusters and their degradation products, photocurrent response and photocatalytic behaviours","New Journal of Chemistry","2018","42","14","11629","","10.1039/C8NJ02247J","","","0.71073","MoKα","","0.0855","0.0564","","","0.1418","0.1655","","","","","","1.022","","","","has coordinates","230412","2020-10-21","18:00:00",""
"7057513","11.2137","0.0005","19.5244","0.0009","28.7399","0.0013","98.235","0.001","99.217","0.001","93.836","0.001","6121","0.5","101","2","101","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.5 H67 Cu F6 N3 O3 P3 -","- C69.5 H67 Cu F6 N3 O3 P3 -","- C278 H268 Cu4 F24 N12 O12 P12 -","4","2","","González, Iván A.; Henríquez, Marco A.; Cortés-Arriagada, Diego; Natali, Mirco; Daniliuc, Constantin G.; Dreyse, Paulina; Maze, Jerónimo; Rojas, René S.; Salas, Cristian O.; Cabrera, Alan R.","Heteroleptic Cu(i) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands ‒ an experimental and theoretical study of their photophysical properties","New Journal of Chemistry","2018","42","15","12576","","10.1039/C8NJ00699G","","","0.71073","MoKα","","0.0555","0.0422","","","0.0925","0.0986","","","","","","1.036","","","","has coordinates,has disorder","230464","2020-10-21","18:00:00",""
"7057514","12.0944","0.0004","15.3062","0.0005","15.764","0.0005","95.334","0.001","91.665","0.001","103.357","0.002","2823.14","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H55 Cu F6 N3 O3 P3 -","- C59 H55 Cu F6 N3 O3 P3 -","- C118 H110 Cu2 F12 N6 O6 P6 -","2","1","","González, Iván A.; Henríquez, Marco A.; Cortés-Arriagada, Diego; Natali, Mirco; Daniliuc, Constantin G.; Dreyse, Paulina; Maze, Jerónimo; Rojas, René S.; Salas, Cristian O.; Cabrera, Alan R.","Heteroleptic Cu(i) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands ‒ an experimental and theoretical study of their photophysical properties","New Journal of Chemistry","2018","42","15","12576","","10.1039/C8NJ00699G","","","0.71073","MoKα","","0.055","0.0377","","","0.0869","0.0925","","","","","","1.063","","","","has coordinates","230464","2020-10-21","18:00:00",""
"7057515","20.0322","0.0007","5.8421","0.0002","19.3439","0.0007","90","","107.817","0.001","90","","2155.24","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","González, Iván A.; Henríquez, Marco A.; Cortés-Arriagada, Diego; Natali, Mirco; Daniliuc, Constantin G.; Dreyse, Paulina; Maze, Jerónimo; Rojas, René S.; Salas, Cristian O.; Cabrera, Alan R.","Heteroleptic Cu(i) complexes bearing methoxycarbonyl-imidoylindazole and POP ligands ‒ an experimental and theoretical study of their photophysical properties","New Journal of Chemistry","2018","42","15","12576","","10.1039/C8NJ00699G","","","0.71073","MoKα","","0.0581","0.042","","","0.0994","0.1086","","","","","","1.039","","","","has coordinates","230464","2020-10-21","18:00:00",""
"7057516","18.1817","0.0006","4.2733","0.0002","30.3211","0.0009","90","","102.758","0.002","90","","2297.66","0.15","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C96 H96 N16 O24 -","8","1","","Tighadouini, Said; Radi, Smaail; Anannaz, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Tillard, Monique; Eddike, Driss; Amhamdi, Hassan; Garcia, Yann","Engineering β-ketoenol structure functionality in hybrid silica as excellent adsorbent material for removal of heavy metals from water","New Journal of Chemistry","2018","42","16","13229","","10.1039/C8NJ01918E","","","0.71073","MoKα","","0.1005","0.0896","","","0.2349","0.2432","","","","","","1.195","","","","has coordinates","230345","2020-10-21","18:00:00",""
"7057517","28.982","0.006","10.862","0.002","19.143","0.004","90","","90","","90","","6026","2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C64 H96 Cu2 N2 O6 -","- C64 H92 Cu2 N2 O6 -","- C256 H368 Cu8 N8 O24 -","4","0.5","","Rajput, Amit; Kumar, Akhilesh; Sengupta, Arunava; Tyagi, Priyanka; Arora, Himanshu","Copper (ii) dimers stabilized by bis(phenol) amine ligands: theoretical and experimental insights","New Journal of Chemistry","2018","42","15","12621","","10.1039/C8NJ02591F","","","0.71073","MoKα","","0.1112","0.0663","","","0.1661","0.1959","","","","","","1.034","","","","has coordinates,has disorder","230460","2020-10-21","18:00:00",""
"7057518","11.2578","0.0017","15.878","0.002","37.239","0.006","90","","90","","90","","6656.5","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H102 Cu2 N2 O8 -","- C68 H102 Cu2 N2 O8 -","- C272 H408 Cu8 N8 O32 -","4","1","","Rajput, Amit; Kumar, Akhilesh; Sengupta, Arunava; Tyagi, Priyanka; Arora, Himanshu","Copper (ii) dimers stabilized by bis(phenol) amine ligands: theoretical and experimental insights","New Journal of Chemistry","2018","42","15","12621","","10.1039/C8NJ02591F","","","0.71073","MoKα","","0.0788","0.0549","","","0.1128","0.1257","","","","","","0.993","","","","has coordinates","230460","2020-10-21","18:00:00",""
"7057519","9.6136","0.0004","12.9095","0.0007","13.5706","0.0007","95.16","0.002","96.711","0.002","105.18","0.002","1601.49","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H82 O28 Ti6 -","- C56 H82 O28 Ti6 -","- C56 H82 O28 Ti6 -","1","0.5","","Czakler, Matthias; Artner, Christine; Schubert, Ulrich","Two new hexanuclear titanium oxo cluster types and their structural connection to known clusters","New Journal of Chemistry","2018","42","14","12098","","10.1039/C8NJ01077C","","","0.71073","MoKα","","0.1097","0.0568","","","0.125","0.145","","","","","","1.004","","","","has coordinates,has disorder","230409","2020-10-21","18:00:00",""
"7057520","9.3628","0.0014","11.467","0.002","12.838","0.002","73.427","0.008","89.342","0.007","75.625","0.007","1277.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H64 O28 Ti6 -","- C36 H64 O28 Ti6 -","- C36 H64 O28 Ti6 -","1","0.5","","Czakler, Matthias; Artner, Christine; Schubert, Ulrich","Two new hexanuclear titanium oxo cluster types and their structural connection to known clusters","New Journal of Chemistry","2018","42","14","12098","","10.1039/C8NJ01077C","","","0.71073","MoKα","","0.1345","0.0529","","","0.0821","0.0994","","","","","","0.952","","","","has coordinates","230409","2020-10-21","18:00:00",""
"7057521","12.5972","0.0003","15.6563","0.0003","19.9053","0.0004","73.238","0.001","76.797","0.001","83.588","0.001","3655.25","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H102 O25 Ti6 -","- C50 H102 O25 Ti6 -","- C100 H204 O50 Ti12 -","2","1","","Czakler, Matthias; Artner, Christine; Schubert, Ulrich","Two new hexanuclear titanium oxo cluster types and their structural connection to known clusters","New Journal of Chemistry","2018","42","14","12098","","10.1039/C8NJ01077C","","","0.71073","MoKα","","0.0663","0.047","","","0.1371","0.1584","","","","","","1.055","","","","has coordinates","230409","2020-10-21","18:00:00",""
"7057522","13.68","0.004","10.906","0.012","20.884","0.003","90","","92.26","0.02","90","","3113","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cd2 N8 O8 -","- C28 H24 Cd2 N8 O8 -","- C112 H96 Cd8 N32 O32 -","4","1","","Chand, Santanu; Mondal, Manas; Pal, Shyam Chand; Pal, Arun; Maji, Sinchan; Mandal, Debaprasad; Das, Madhab C.","Two azo-functionalized luminescent 3D Cd(ii) MOFs for highly selective detection of Fe3+ and Al3+","New Journal of Chemistry","2018","42","15","12865","","10.1039/C8NJ02338G","","","0.71073","MoKα","","0.058","0.0535","","","0.1268","0.1294","","","","","","1.044","","","","has coordinates","230461","2020-10-21","18:00:00",""
"7057523","11.265","0.002","13.097","0.003","12.563","0.003","90","","106.74","0.03","90","","1775","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cd N4 O4 -","- C18 H18 Cd N4 O4 -","- C72 H72 Cd4 N16 O16 -","4","1","","Chand, Santanu; Mondal, Manas; Pal, Shyam Chand; Pal, Arun; Maji, Sinchan; Mandal, Debaprasad; Das, Madhab C.","Two azo-functionalized luminescent 3D Cd(ii) MOFs for highly selective detection of Fe3+ and Al3+","New Journal of Chemistry","2018","42","15","12865","","10.1039/C8NJ02338G","","","0.71073","MoKα","","0.0175","0.0169","","","0.0429","0.0432","","","","","","1.12","","","","has coordinates","230461","2020-10-21","18:00:00",""
"7057524","41.4088","0.0013","18.0186","0.0006","28.4195","0.0009","90","","110.516","0.001","90","","19859.7","1.1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C196 H224 Br7.63 Ga1.63 O10 P12 S8 W6 -","- C192 H216 Br7.626 Ga1.626 O9 P12 S8 W6 -","- C768 H864 Br30.504 Ga6.504 O36 P48 S32 W24 -","4","0.5","","Petrov, Pavel A.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Sukhikh, Taisiya S.","The first heterocubane cluster with a [W3GaS4] core","New Journal of Chemistry","2018","42","15","12349","","10.1039/C8NJ00650D","","","0.71073","MoKα","","0.0559","0.0383","","","0.0983","0.1122","","","","","","1.06","","","","has coordinates","230456","2020-10-21","18:00:00",""
"7057525","19.6347","0.0005","21.1225","0.0005","21.2228","0.0005","90","","90.856","0.001","90","","8800.8","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H96 Cl4 Ga Mo3 O3 P6 S4 -","- C90 H96 Cl4 Ga Mo3 O3 P6 S4 -","- C360 H384 Cl16 Ga4 Mo12 O12 P24 S16 -","4","1","","Petrov, Pavel A.; Nadolinny, Vladimir A.; Bogomyakov, Artem S.; Sukhikh, Taisiya S.","The first heterocubane cluster with a [W3GaS4] core","New Journal of Chemistry","2018","42","15","12349","","10.1039/C8NJ00650D","","","0.71073","MoKα","","0.043","0.033","","","0.0826","0.0873","","","","","","1.076","","","","has coordinates,has disorder","230456","2020-10-21","18:00:00",""
"7057526","15.0159","0.0002","15.0159","0.0002","13.7387","0.0006","90","","90","","90","","3097.76","0.15","295","2","295","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","tetragonal","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C176 H112 Cu4 N16 -","4","0.25","","Chen, Chen; He, Xiao-Tong; Hong, Dan-Li; Wang, Jing-Wen; Luo, Yang-Hui; Sun, Bai-Wang","Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field","New Journal of Chemistry","2018","42","15","12570","","10.1039/C8NJ01882K","","","0.71073","MoKα","","0.0512","0.0502","","","0.1298","0.1306","","","","","","1.118","","","","has coordinates","230457","2020-10-21","18:00:00",""
"7057527","15.0099","0.0002","15.0099","0.0002","13.6593","0.0005","90","","90","","90","","3077.4","0.13","295","0.1","295","0.1","","","","","","","","4","I -4 2 d","I -4 2bw","122","","tetragonal","","- C44 H28 Cu N4 -","- C44 H28 Cu N4 -","- C176 H112 Cu4 N16 -","4","0.25","","Chen, Chen; He, Xiao-Tong; Hong, Dan-Li; Wang, Jing-Wen; Luo, Yang-Hui; Sun, Bai-Wang","Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field","New Journal of Chemistry","2018","42","15","12570","","10.1039/C8NJ01882K","","","1.54178","CuKα","","0.0417","0.0409","","","0.1073","0.1079","","","","","","1.081","","","","has coordinates","230457","2020-10-21","18:00:00",""
"7057528","8.2199","0.0009","8.3508","0.001","11.2244","0.0013","86.849","0.01","78.013","0.01","66.215","0.011","689.3","0.15","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N2 O4 Zn0.5 -","- C13 H18 N2 O4 Zn0.5 -","- C26 H36 N4 O8 Zn -","2","1","","Sohail, Manzar; Altaf, Muhammad; Baig, Nadeem; Jamil, Rabia; Sher, Muhammad; Fazal, Atif","A new water stable zinc metal organic framework as an electrode material for hydrazine sensing","New Journal of Chemistry","2018","42","15","12486","","10.1039/C8NJ01507D","","x-ray","0.71073","MoKα","","0.053","0.0402","","","0.0729","0.079","","","","","","1.04","","","","has coordinates","230463","2020-10-21","18:00:00",""
"7057529","8.7754","0.0008","10.915","0.0009","12.9559","0.0011","90","","96.034","0.009","90","","1234.09","0.19","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O S -","- C13 H15 N O S -","- C52 H60 N4 O4 S4 -","4","1","","Qin, Siyao; Chen, Bo; Huang, Jing; Han, Yifeng","A thiocoumarin-based colorimetric and ratiometric fluorescent probe for Hg2+ in aqueous solution and its application in live-cell imaging","New Journal of Chemistry","2018","42","15","12766","","10.1039/C8NJ01491D","","","0.71073","MoKα","","0.0746","0.0496","","","0.1103","0.1296","","","","","","1.045","","","","has coordinates","230466","2020-10-21","18:00:00",""
"7057530","10.6472","0.0004","15.7209","0.0005","11.7623","0.0004","90","","97.447","0.001","90","","1952.21","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N4 O5 Zn -","- C16 H18 Cl2 N4 O5 Zn -","- C64 H72 Cl8 N16 O20 Zn4 -","4","1","","Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis","Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation","New Journal of Chemistry","2018","42","15","12998","","10.1039/C8NJ01853G","","","0.71073","MoKα","","0.0527","0.0403","","","0.1184","0.1261","","","","","","1.035","","","","has coordinates","230452","2020-10-21","18:00:00",""
"7057531","7.15","0.003","13.665","0.005","14.519","0.005","67.354","0.004","78.378","0.004","88.647","0.005","1280.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Br4 N4 O4 Zn2 -","- C16 H24 Br4 N4 O4 Zn2 -","- C32 H48 Br8 N8 O8 Zn4 -","2","1","","Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis","Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation","New Journal of Chemistry","2018","42","15","12998","","10.1039/C8NJ01853G","","","0.71073","MoKα","","0.1448","0.088","","","0.261","0.3391","","","","","","1.072","","","","has coordinates","230452","2020-10-21","18:00:00",""
"7057532","13.802","0.003","13.802","0.002","20.08","0.003","90","","90","","120","","3312.7","1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H45 I2 N9 O3 Zn -","- C30 H45.042 I2 N9 O3 Zn -","- C120 H180.168 I8 N36 O12 Zn4 -","4","0.333333","","Purkait, Suranjana; Chakraborty, Prateeti; Frontera, Antonio; Bauzá, Antonio; Zangrando, Ennio; Das, Debasis","Zinc(ii) complexes with uncommon aminal and hemiaminal ether derivatives: synthesis, structure, phosphatase activity and theoretical rationalization of ligand and complex formation","New Journal of Chemistry","2018","42","15","12998","","10.1039/C8NJ01853G","","","0.7","synchrotron","","0.0661","0.0638","","","0.1855","0.1873","","","","","","1.063","","","","has coordinates,has disorder","230452","2020-10-21","18:00:00",""
"7057533","8.7913","0.0007","10.4651","0.0008","13.1287","0.0011","90","","90","","90","","1207.86","0.17","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Li, Yao; Huang, Wei; Yong, Juan; Huang, Shuaidan; Li, Yujie; Liu, Yang; Wu, Dayu","Aggregation-induced ratiometric emission and mechanochromic luminescence in a pyrene-benzohydrazonate conjugate","New Journal of Chemistry","2018","42","15","12644","","10.1039/C8NJ01379A","","","1.54178","CuKα","","0.0435","0.0388","","","0.0984","0.1027","","","","","","1.028","","","","has coordinates","230459","2020-10-21","18:00:00",""
"7057534","10.746","0.0003","17.8776","0.0006","11.2185","0.0004","90","","116.733","0.001","90","","1924.85","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N14 Re6 S8 -","- C22 H32 N14 Re6 S8 -","- C44 H64 N28 Re12 S16 -","2","0.5","","Ledneva, Alexandra; Ferlay, Sylvie; Naumov, Nikolay G.; Mauro, Matteo; Cordier, Stéphane; Kyritsakas, Nathalie; Hosseini, Mir Wais","Hydrogen bonded networks based on hexarhenium(iii) chalcocyanide cluster complexes: structural and photophysical characterization","New Journal of Chemistry","2018","42","14","11888","","10.1039/C8NJ02310G","","","0.71073","MoKα","","0.0178","0.0151","","","0.0351","0.0363","","","","","","1.188","","","","has coordinates","230407","2020-10-21","18:00:00",""
"7057535","10.7572","0.0004","18.2885","0.0008","11.3229","0.0004","90","","117.048","0.001","90","","1983.95","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 N14 Re6 Se8 -","- C22 H32 N14 Re6 Se8 -","- C44 H64 N28 Re12 Se16 -","2","0.5","","Ledneva, Alexandra; Ferlay, Sylvie; Naumov, Nikolay G.; Mauro, Matteo; Cordier, Stéphane; Kyritsakas, Nathalie; Hosseini, Mir Wais","Hydrogen bonded networks based on hexarhenium(iii) chalcocyanide cluster complexes: structural and photophysical characterization","New Journal of Chemistry","2018","42","14","11888","","10.1039/C8NJ02310G","","","0.71073","MoKα","","0.0236","0.0169","","","0.0369","0.0391","","","","","","1.093","","","","has coordinates","230407","2020-10-21","18:00:00",""
"7057536","10.7148","0.0006","11.3369","0.0005","12.3039","0.0005","104.098","0.002","107.653","0.002","109.245","0.002","1242.73","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 N14 O4 Re6 Se8 -","- C34 H40 N14 O4 Re6 Se8 -","- C34 H40 N14 O4 Re6 Se8 -","1","0.5","","Ledneva, Alexandra; Ferlay, Sylvie; Naumov, Nikolay G.; Mauro, Matteo; Cordier, Stéphane; Kyritsakas, Nathalie; Hosseini, Mir Wais","Hydrogen bonded networks based on hexarhenium(iii) chalcocyanide cluster complexes: structural and photophysical characterization","New Journal of Chemistry","2018","42","14","11888","","10.1039/C8NJ02310G","","","0.71073","MoKα","","0.0692","0.0445","","","0.1126","0.1281","","","","","","1.009","","","","has coordinates","230407","2020-10-21","18:00:00",""
"7057537","10.2728","0.0004","11.2485","0.0004","12.1798","0.0005","104.23","0.002","107.332","0.002","107.185","0.002","1194.45","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 N14 O4 Re6 S8 -","- C34 H40 N14 O4 Re6 S8 -","- C34 H40 N14 O4 Re6 S8 -","1","0.5","","Ledneva, Alexandra; Ferlay, Sylvie; Naumov, Nikolay G.; Mauro, Matteo; Cordier, Stéphane; Kyritsakas, Nathalie; Hosseini, Mir Wais","Hydrogen bonded networks based on hexarhenium(iii) chalcocyanide cluster complexes: structural and photophysical characterization","New Journal of Chemistry","2018","42","14","11888","","10.1039/C8NJ02310G","","","0.71073","MoKα","","0.0363","0.0289","","","0.06","0.0625","","","","","","1.047","","","","has coordinates","230407","2020-10-21","18:00:00",""
"7057538","24.409","0.002","9.5355","0.0008","13.1083","0.001","90","","103.983","0.003","90","","2960.6","0.4","159.56","","159.56","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Cl F2 N3 O -","- C32 H31 B Cl F2 N3 O -","- C128 H124 B4 Cl4 F8 N12 O4 -","4","1","","Mi, Wenhua; Qu, Zhiyu; Sun, Jingbo; Zhang, Fushuang; Zhai, Lu; Zhao, Jinyu; Ye, Kaiqi","Pyrimidine-containing β-iminoenolate difluoroboron complexes acting as non-traditional π-gelators and mechanofluorochromic dyes","New Journal of Chemistry","2018","42","15","12882","","10.1039/C8NJ01508B","","","0.71073","MoKα","","0.0464","0.0344","","","0.0833","0.0908","","","","","","1.02","","","","has coordinates","230454","2020-10-21","18:00:00",""
"7057539","9.29","0.013","12.67","0.02","13.427","0.018","78.37","0.04","79.43","0.05","89.4","0.06","1521","4","293","","293","","","","","","","","","4","P -1","-P 1","2","ImPy","4-(1-pyrenyl)-N-(2-ethylhexyl)-1,8-naphthalimide","","- C76 H70 N2 O5 -","- C76 H70 N2 O5 -","- C76 H70 N2 O5 -","1","0.5","","Bezvikonnyi, Oleksandr; Gudeika, Dalius; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Bagdziunas, Gintautas","Pyrenyl substituted 1,8-naphthalimide as a new material for weak efficiency-roll-off red OLEDs: a theoretical and experimental study","New Journal of Chemistry","2018","42","15","12492","","10.1039/C8NJ01866A","","","0.71075","MoKα","","0.1676","0.1048","","","0.2721","0.3183","","","","","","1.073","","","","has coordinates,has disorder","230455","2020-10-21","18:00:00",""
"7057540","11.2208","0.0005","20.4111","0.0009","24.2182","0.0009","90","","102.276","0.002","90","","5419.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H40 Cl2 O10 Os3 P2 S4 -","- C55 H40 Cl2 O10 Os3 P2 S4 -","- C220 H160 Cl8 O40 Os12 P8 S16 -","4","1","","Otero, Yomaira; Peña, Deisy; Lescop, Christophe; Ávila, Edward; Arce, Alejandro; Hissler, Muriel; Réau, Regis; Machado, Rubén","Reaction of carbonyl trinuclear clusters with 2,5-bis(2-thienyl)-1-phenyl-phosphole as a ligand: a new pathway to ruthenacyclopentadiene and cyclopentadienone ruthenium complexes","New Journal of Chemistry","2018","42","14","12234","","10.1039/C8NJ01442F","","","0.71073","MoKα","","0.1036","0.0637","","","0.1521","0.1818","","","","","","1.124","","","","has coordinates","230398","2020-10-21","18:00:00",""
"7057541","10.2565","0.0007","10.3981","0.0008","16.9286","0.0013","93.359","0.003","90.408","0.002","104.584","0.003","1743.8","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H33 O3 P Ru S4 -","- C41 H33 O3 P Ru S4 -","- C82 H66 O6 P2 Ru2 S8 -","2","1","","Otero, Yomaira; Peña, Deisy; Lescop, Christophe; Ávila, Edward; Arce, Alejandro; Hissler, Muriel; Réau, Regis; Machado, Rubén","Reaction of carbonyl trinuclear clusters with 2,5-bis(2-thienyl)-1-phenyl-phosphole as a ligand: a new pathway to ruthenacyclopentadiene and cyclopentadienone ruthenium complexes","New Journal of Chemistry","2018","42","14","12234","","10.1039/C8NJ01442F","","","0.71073","MoKα","","0.0573","0.0476","","","0.1251","0.1344","","","","","","1.063","","","","has coordinates,has disorder","230398","2020-10-21","18:00:00",""
"7057542","15.509","0.001","32.409","0.002","18.939","0.002","90","","108.353","0.003","90","","9035.1","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H57 Cl0 O9 P3 Ru3 S6 -","- C75 H57 O9 P3 Ru3 S6 -","- C300 H228 O36 P12 Ru12 S24 -","4","1","","Otero, Yomaira; Peña, Deisy; Lescop, Christophe; Ávila, Edward; Arce, Alejandro; Hissler, Muriel; Réau, Regis; Machado, Rubén","Reaction of carbonyl trinuclear clusters with 2,5-bis(2-thienyl)-1-phenyl-phosphole as a ligand: a new pathway to ruthenacyclopentadiene and cyclopentadienone ruthenium complexes","New Journal of Chemistry","2018","42","14","12234","","10.1039/C8NJ01442F","","","0.71069","MoKα","","0.1035","0.0743","","","0.2057","0.2216","","","","","","0.98","","","","has coordinates,has disorder","230398","2020-10-21","18:00:00",""
"7057543","10.9476","0.0005","18.339","0.0009","19.9476","0.0009","90","","100.314","0.002","90","","3940.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H33 O5 P Ru2 S4 -","- C43 H33 O5 P Ru2 S4 -","- C172 H132 O20 P4 Ru8 S16 -","4","1","","Otero, Yomaira; Peña, Deisy; Lescop, Christophe; Ávila, Edward; Arce, Alejandro; Hissler, Muriel; Réau, Regis; Machado, Rubén","Reaction of carbonyl trinuclear clusters with 2,5-bis(2-thienyl)-1-phenyl-phosphole as a ligand: a new pathway to ruthenacyclopentadiene and cyclopentadienone ruthenium complexes","New Journal of Chemistry","2018","42","14","12234","","10.1039/C8NJ01442F","","","0.71073","MoKα","","0.0331","0.0306","","","0.0638","0.065","","","","","","1.0594","","","","has coordinates,has disorder","230398","2020-10-21","18:00:00",""
"7057544","15.1698","0.001","6.9547","0.0004","19.5022","0.0012","90","","93.802","0.003","90","","2053","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Mohan, Nithya; Sreejith, S. S.; Begum, P. M. Sabura; Kurup, M. R. Prathapachandra","Dual responsive salen-type Schiff bases for the effective detection of l-arginine via a static quenching mechanism","New Journal of Chemistry","2018","42","15","13114","","10.1039/C8NJ02657B","","","0.71073","MoKα","","0.1547","0.0604","","","0.1659","0.2384","","","","","","0.879","","","","has coordinates","230458","2020-10-21","18:00:00",""
"7057545","15.2018","0.0008","15.3094","0.0007","15.7294","0.001","90","","116.762","0.007","90","","3268.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl Cu2 N7 O9 -","- C26 H40 Cl Cu2 N7 O9 -","- C104 H160 Cl4 Cu8 N28 O36 -","4","1","","Khan, Samim; Herrero, Santiago; González-Prieto, Rodrigo; Drew, Michael. G. B.; Banerjee, Snehasis; Chattopadhyay, Shouvik","A mixed phenoxo and end-on azide bridged dinuclear copper(ii) Schiff base complex: synthesis, structure, magnetic characterization and DFT study","New Journal of Chemistry","2018","42","16","13512","","10.1039/C8NJ02612B","","","0.71073","","","0.1003","0.0557","","","0.1118","0.1293","","","","","","0.972","","","","has coordinates","230339","2020-10-21","18:00:00",""
"7057546","6.583","0.004","4.933","0.003","12.34","0.008","90","","90.968","0.007","90","","400.7","0.4","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- B3 Ba Li O9 Zn3 -","- B3 Ba Li O9 Zn3 -","- B6 Ba2 Li2 O18 Zn6 -","2","0.5","","Chen, Yanna; Zhang, Min; Pan, Shilie","BaLiZn3(BO3)3: a new member of the KBe2BO3F2 family possessing dense BO3 triangles and the smallest interlayer distance","New Journal of Chemistry","2018","42","15","12365","","10.1039/C8NJ02623H","","","0.71073","MoKα","","0.0356","0.0327","","","0.0862","0.0881","","","","","","1.111","","","","has coordinates","230462","2020-10-21","18:00:00",""
"7057547","20.4789","0.0013","8.3667","0.0004","14.3809","0.0007","90","","90","","90","","2464","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H25 Cl2 Cu N5 O8 -","- C19 H25 Cl2 Cu N5 O8 -","- C76 H100 Cl8 Cu4 N20 O32 -","4","1","","Vieira, Adriana Pires; Wegermann, Camila Anchau; Da Costa Ferreira, Ana Maria","Comparative studies of Schiff base-copper(ii) and zinc(ii) complexes regarding their DNA binding ability and cytotoxicity against sarcoma cells","New Journal of Chemistry","2018","42","15","13169","","10.1039/C7NJ04799A","","","0.71073","MoKα","","0.0542","0.0443","","","0.1161","0.1237","","","","","","0.978","","","","has coordinates,has disorder","230451","2020-10-21","18:00:00",""
"7057548","11.001","0.004","24.698","0.01","6.161","0.002","90","","92.192","0.012","90","","1672.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N6 O6 -","- C36 H28 N6 O6 -","- C72 H56 N12 O12 -","2","0.5","","Banerjee, Saikat; Dey, Arka; Ghorai, Pravat; Brandão, Paula; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim; Saha, Amrita","Experimental and computational investigations of the photosensitive Schottky barrier diode property of an azobenzene based small organic molecule","New Journal of Chemistry","2018","42","16","13430","","10.1039/C8NJ02193G","","","0.71073","MoKα","","0.2159","0.1013","","","0.2322","0.3024","","","","","","1.033","","","","has coordinates","230351","2020-10-21","18:00:00",""
"7057549","13.5575","0.001","13.6764","0.001","15.6816","0.0012","79.751","0.001","76.113","0.001","68.303","0.001","2609.8","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H40.25 F12 Hg N6.75 O4 P2 -","- C47.5 H40.25 F12 Hg N6.75 O4 P2 -","- C95 H80.5 F24 Hg2 N13.5 O8 P4 -","2","1","","Zhao, Zhi-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Liu, Qing-Xiang","NHC Hg(ii) and Pd(ii) complexes based on 1,8-dihydroxy-9,10-anthraquinone: synthesis, structure and catalysis","New Journal of Chemistry","2018","42","16","13329","","10.1039/C8NJ02029A","","","0.71073","MoKα","","0.0681","0.0491","","","0.1248","0.1372","","","","","","1.029","","","","has coordinates","230340","2020-10-21","18:00:00",""
"7057550","15.398","0.002","21.286","0.003","12.4804","0.0016","90","","112.258","0.002","90","","3785.8","0.9","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Br2 Hg N6 O3 -","- C34 H36 Br2 Hg N6 O3 -","- C136 H144 Br8 Hg4 N24 O12 -","4","0.5","","Zhao, Zhi-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Liu, Qing-Xiang","NHC Hg(ii) and Pd(ii) complexes based on 1,8-dihydroxy-9,10-anthraquinone: synthesis, structure and catalysis","New Journal of Chemistry","2018","42","16","13329","","10.1039/C8NJ02029A","","","0.71073","MoKα","","0.0382","0.0336","","","0.0861","0.0891","","","","","","1.059","","","","has coordinates,has disorder","230340","2020-10-21","18:00:00",""
"7057551","21.023","0.004","12.719","0.003","18.421","0.005","90","","100.675","0.005","90","","4840","2","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H44 F12 Hg N4 O8 P2 -","- C47 H44 F12 Hg N4 O8 P2 -","- C188 H176 F48 Hg4 N16 O32 P8 -","4","0.5","","Zhao, Zhi-Xiang; Hu, Ze-Liang; Yu, Shao-Cong; Liu, Qing-Xiang","NHC Hg(ii) and Pd(ii) complexes based on 1,8-dihydroxy-9,10-anthraquinone: synthesis, structure and catalysis","New Journal of Chemistry","2018","42","16","13329","","10.1039/C8NJ02029A","","","0.71073","MoKα","","0.0512","0.0414","","","0.0884","0.093","","","","","","1.059","","","","has coordinates","230340","2020-10-21","18:00:00",""
"7057552","11.5095","0.0006","16.3355","0.0009","22.6258","0.0012","90","","99.99","0.001","90","","4189.5","0.4","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 F5.98 Ir N9 O2 P2 -","- C42 H28 F5.977 Ir N9 O2 P2 -","- C168 H112 F23.908 Ir4 N36 O8 P8 -","4","1","","Han, Hua-Bo; Wu, Zheng-Guang; Zheng, You-Xuan","Efficient bluish green electroluminescence of iridium complexes with good electron mobility","New Journal of Chemistry","2018","42","16","13351","","10.1039/C8NJ01726C","","","0.71073","MoKα","","0.0437","0.0277","","","0.0569","0.0645","","","","","","1.019","","","","has coordinates,has disorder","230350","2020-10-21","18:00:00",""
"7057553","11.479","0.003","15.111","0.004","24.778","0.007","90","","97.796","0.005","90","","4258","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F8 Ir N9 O2 P2 -","- C42 H26 F8 Ir N9 O2 P2 -","- C168 H104 F32 Ir4 N36 O8 P8 -","4","1","","Han, Hua-Bo; Wu, Zheng-Guang; Zheng, You-Xuan","Efficient bluish green electroluminescence of iridium complexes with good electron mobility","New Journal of Chemistry","2018","42","16","13351","","10.1039/C8NJ01726C","","","0.71073","MoKα","","0.0626","0.0413","","","0.0887","0.0969","","","","","","1.028","","","","has coordinates","230350","2020-10-21","18:00:00",""
"7057554","9.965","0.008","8.009","0.006","21.306","0.016","90","","90.73","0.02","90","","1700","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C84 H64 N8 O16 -","4","1","","Mali, Prakash R.; Khomane, Navnath B.; Sridhar, B.; Meshram, H. M.; Likhar, Pravin R.","Synthesis of new spiro pyrrole/pyrrolizine/thiazole derivatives via (3+2) cycloaddition reactions","New Journal of Chemistry","2018","42","16","13819","","10.1039/C8NJ02127A","","","0.71073","MoKα","","0.0791","0.0519","","","0.1248","0.1376","","","","","","1.023","","","","has coordinates","230341","2020-10-21","18:00:00",""
"7057555","9.2975","0.0009","20.6352","0.0018","12.8103","0.0009","90","","99.4","0.008","90","","2424.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)","N,N'-(cyclohexane-1,2-diyl)bis(2,5-dimethoxybenzenesulfonamide)","","- C22 H30 N2 O8 S2 -","- C22 H30 N2 O8 S2 -","- C88 H120 N8 O32 S8 -","4","1","","Sheikh, Tahir Ali; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Rahman, Mohammed M.","Development of a selective and sensitive Ga3+ sensor for environmental safety: a comparative study of cyclohexyl and aromatic bis-sulphonamide fabricated glassy carbon electrodes","New Journal of Chemistry","2018","42","16","13589","","10.1039/C8NJ02255K","","","0.7107","MoKα","","0.1541","0.0613","","","0.1067","0.1458","","","","","","0.983","","","","has coordinates","230342","2020-10-21","18:00:00",""
"7057556","10.5898","0.0012","18.264","0.002","12.6789","0.0011","90","","106.506","0.01","90","","2351.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-(1,2-phenylene)bis(2,5-dimethoxybenzenesulfonamide)","N,N'-(1,2-phenylene)bis(2,5-dimethoxybenzenesulfonamide)","","- C22 H24 N2 O8 S2 -","- C22 H24 N2 O8 S2 -","- C88 H96 N8 O32 S8 -","4","1","","Sheikh, Tahir Ali; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Rahman, Mohammed M.","Development of a selective and sensitive Ga3+ sensor for environmental safety: a comparative study of cyclohexyl and aromatic bis-sulphonamide fabricated glassy carbon electrodes","New Journal of Chemistry","2018","42","16","13589","","10.1039/C8NJ02255K","","","0.7107","MoKα","","0.0932","0.0535","","","0.1273","0.1543","","","","","","1.051","","","","has coordinates","230342","2020-10-21","18:00:00",""
"7057557","9.461","0.0011","15.3673","0.0017","19.021","0.002","92.716","0.003","93.956","0.003","102.009","0.003","2693.1","0.5","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cu N4 O2.5 -","- C28 H39 Cu N4 O2.5 -","- C112 H156 Cu4 N16 O10 -","4","2","","Agrahari, Bhumika; Layek, Samaresh; Ganguly, Rakesh; Pathak, Devendra D.","Synthesis and crystal structures of salen-type Cu(ii) and Ni(ii) Schiff base complexes: application in [3+2]-cycloaddition and A3-coupling reactions","New Journal of Chemistry","2018","42","16","13754","","10.1039/C8NJ01718B","","","0.71073","MoKα","","0.1722","0.0709","","","0.1363","0.1721","","","","","","0.936","","","","has coordinates,has disorder","230343","2020-10-21","18:00:00",""
"7057558","12.0046","0.0013","8.5202","0.0009","26.095","0.002","90","","92.104","0.009","90","","2667.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N4 Ni O2 -","- C28 H38 N4 Ni O2 -","- C112 H152 N16 Ni4 O8 -","4","1","","Agrahari, Bhumika; Layek, Samaresh; Ganguly, Rakesh; Pathak, Devendra D.","Synthesis and crystal structures of salen-type Cu(ii) and Ni(ii) Schiff base complexes: application in [3+2]-cycloaddition and A3-coupling reactions","New Journal of Chemistry","2018","42","16","13754","","10.1039/C8NJ01718B","","","0.71073","MoKα","","0.1134","0.0541","","","0.1138","0.1357","","","","","","1.014","","","","has coordinates,has disorder","230343","2020-10-21","18:00:00",""
"7057559","8.0221","0.0002","8.5085","0.0002","23.2424","0.0004","90","","90","","90","","1586.43","0.06","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Kovalska, Vladyslava; Chernii, Svitlana; Losytskyy, Mykhaylo; Tretyakova, Iryna; Dovbii, Yan; Gorski, Alexandr; Chernii, Victor; Czerwieniec, Rafal; Yarmoluk, Sergiy","Design of functionalized β-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils","New Journal of Chemistry","2018","42","16","13308","","10.1039/C8NJ01020J","","x-ray","1.54184","CuKα","","0.0367","0.0316","","","0.0751","0.0784","","","","","","1.044","","","","has coordinates","230344","2020-10-21","18:00:00",""
"7057560","22.0779","0.0002","7.2235","0.0001","25.3699","0.0003","90","","94.519","0.001","90","","4033.41","0.08","123","0.1","123","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Kovalska, Vladyslava; Chernii, Svitlana; Losytskyy, Mykhaylo; Tretyakova, Iryna; Dovbii, Yan; Gorski, Alexandr; Chernii, Victor; Czerwieniec, Rafal; Yarmoluk, Sergiy","Design of functionalized β-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils","New Journal of Chemistry","2018","42","16","13308","","10.1039/C8NJ01020J","","x-ray","1.54184","CuKα","","0.0416","0.0345","","","0.0908","0.0961","","","","","","1.024","","","","has coordinates","230344","2020-10-21","18:00:00",""
"7057561","12.019","0.0003","14.1254","0.0002","16.0929","0.0004","109.094","0.0017","100.016","0.0019","98.6977","0.0016","2478.09","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H69 Cl8 N12 O21 Zn6 -","- C93 H69 Cl8 N12 O21 Zn6 -","- C93 H69 Cl8 N12 O21 Zn6 -","1","0.5","","Islam, Sakhiul; Datta, Joydeep; Ahmed, Faruk; Dutta, Basudeb; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Effect on Schottky behaviour of 1D coordination polymers by altering para-substituents on benzoate ligands","New Journal of Chemistry","2018","42","16","13971","","10.1039/C8NJ02504E","","x-ray","1.54184","CuKα","","0.0475","0.0436","","","0.1182","0.123","","","","","","1.025","","","","has coordinates","230349","2020-10-21","18:00:00",""
"7057562","12.0085","0.0007","14.3222","0.0008","16.2643","0.0009","110.576","0.002","100.003","0.002","98.071","0.002","2516.7","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H66 Br8 N12 O21 Zn6 -","- C93 H66 Br8 N12 O21 Zn6 -","- C93 H66 Br8 N12 O21 Zn6 -","1","0.5","","Islam, Sakhiul; Datta, Joydeep; Ahmed, Faruk; Dutta, Basudeb; Naaz, Sanobar; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Effect on Schottky behaviour of 1D coordination polymers by altering para-substituents on benzoate ligands","New Journal of Chemistry","2018","42","16","13971","","10.1039/C8NJ02504E","","","0.71073","MoKα","","0.0923","0.0704","","","0.1426","0.1564","","","","","","1.09","","","","has coordinates","230349","2020-10-21","18:00:00",""
"7057563","7.7776","0.0008","25.3003","0.0011","16.5229","0.0019","90","","130.314","0.018","90","","2479.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C112 H88 Br8 N16 O8 -","8","2","","Meng, Yinggao; Wang, Bingnan; Ren, Linning; Zhao, Qiongli; Yu, Wenquan; Chang, Junbiao","I2-Mediated transition-metal-free aromatic C‒H amination for the synthesis of benzimidazol-2-ones and related heterocycles","New Journal of Chemistry","2018","42","16","13790","","10.1039/C8NJ03166E","","x-ray","1.54184","CuKα","","0.1075","0.0872","","","0.2419","0.2746","","","","","","1.03","","","","has coordinates,has disorder","230348","2020-10-21","18:00:00",""
"7057564","20.6228","0.0016","4.8896","0.0003","17.0577","0.0013","90","","113.615","0.003","90","","1576","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N5 O2.5 -","- C7 H8 N5 O2.5 -","- C56 H64 N40 O20 -","8","1","","García-Raso, Angel; Terrón, Angel; Bauzá, Antonio; Frontera, Antonio; Molina, Jhon J.; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine‒glycine and adenine‒glycylglycine molecules","New Journal of Chemistry","2018","42","18","14742","","10.1039/C8NJ02147C","","","0.71073","MoKα","","0.0855","0.047","","","0.0891","0.1018","","","","","","1.021","","","","has coordinates","230475","2020-10-21","18:00:00",""
"7057565","10.3324","0.0012","16.4608","0.0018","6.4735","0.0007","90","","90.758","0.004","90","","1100.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl2 N5 O3 -","- C7 H11 Cl2 N5 O3 -","- C28 H44 Cl8 N20 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Bauzá, Antonio; Frontera, Antonio; Molina, Jhon J.; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine‒glycine and adenine‒glycylglycine molecules","New Journal of Chemistry","2018","42","18","14742","","10.1039/C8NJ02147C","","","0.71073","MoKα","","0.0488","0.0451","","","0.1081","0.1099","","","","","","1.122","","","","has coordinates","230475","2020-10-21","18:00:00",""
"7057566","4.7539","0.0004","11.6942","0.0009","10.3125","0.0009","90","","100.378","0.003","90","","563.92","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 N6 O4 -","- C9 H12 N6 O4 -","- C18 H24 N12 O8 -","2","1","","García-Raso, Angel; Terrón, Angel; Bauzá, Antonio; Frontera, Antonio; Molina, Jhon J.; Vázquez-López, Ezequiel M.; Fiol, Juan J.","Crystal structures of N6-modified-aminoacid/peptide nucleobase analogs: hybrid adenine‒glycine and adenine‒glycylglycine molecules","New Journal of Chemistry","2018","42","18","14742","","10.1039/C8NJ02147C","","","0.71073","MoKα","","0.0317","0.0294","","","0.0711","0.0725","","","","","","1.028","","","","has coordinates","230475","2020-10-21","18:00:00",""
"7057567","6.5352","0.0019","9.853","0.003","10.779","0.003","90","","95.922","0.004","90","","690.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cd(BTA)(H2O)]n","","","- C2 H3 Cd N9 O -","- C2 H3 Cd N9 O -","- C8 H12 Cd4 N36 O4 -","4","1","","Zhang, Mi; Xu, Jian-Gang; Zhang, Ning-Ning; Lu, Jian; Xin, Xue-Huan; Zheng, Fa-Kun; Guo, Guo-Cong","A highly stable and tightly packed 3D energetic coordination polymer assembled from nitrogen-rich tetrazole derivatives","New Journal of Chemistry","2018","42","16","13927","","10.1039/C8NJ02659A","","","0.71073","MoKα","","0.0136","0.0122","","","0.0306","0.031","","","","","","1.053","","","","has coordinates","230346","2020-10-21","18:00:00",""
"7057568","14.5412","0.0002","24.2255","0.0003","15.7374","0.0002","90","","97.5947","0.0006","90","","5495.15","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ag F6 N4 P -","- C28 H24 Ag F6 N4 P -","- C224 H192 Ag8 F48 N32 P8 -","8","2","","Jhulki, Lalmohan; Dutta, Parul; Santra, Manas Kumar; Cardoso, Marlon H.; Oshiro, Karen G. N.; Franco, Octávio L.; Bertolasi, Valerio; Isab, Anvarhusein A.; Bielawski, Christopher W.; Dinda, Joydev","Synthesis and cytotoxic characteristics displayed by a series of Ag(i)-, Au(i)- and Au(iii)-complexes supported by a common N-heterocyclic carbene","New Journal of Chemistry","2018","42","16","13948","","10.1039/C8NJ02008F","","","0.71073","MoKα","","0.0742","0.0514","","","0.1458","0.1645","","","","","","1.032","","","","has coordinates","230352","2020-10-21","18:00:00",""
"7057569","16.1038","0.0004","12.5836","0.0003","15.5456","0.0004","90","","94.819","0.0009","90","","3139.08","0.13","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Au Cl3 N2 -","- C14 H12 Au Cl3 N2 -","- C112 H96 Au8 Cl24 N16 -","8","1","","Jhulki, Lalmohan; Dutta, Parul; Santra, Manas Kumar; Cardoso, Marlon H.; Oshiro, Karen G. N.; Franco, Octávio L.; Bertolasi, Valerio; Isab, Anvarhusein A.; Bielawski, Christopher W.; Dinda, Joydev","Synthesis and cytotoxic characteristics displayed by a series of Ag(i)-, Au(i)- and Au(iii)-complexes supported by a common N-heterocyclic carbene","New Journal of Chemistry","2018","42","16","13948","","10.1039/C8NJ02008F","","","0.71073","MoKα","","0.0517","0.0423","","","0.1014","0.1055","","","","","","1.079","","","","has coordinates","230352","2020-10-21","18:00:00",""
"7057570","14.5519","0.0015","24.245","0.003","15.6387","0.0016","90","","97.286","0.001","90","","5473","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Au F6 N4 P -","- C28 H24 Au F6 N4 P -","- C224 H192 Au8 F48 N32 P8 -","8","2","","Jhulki, Lalmohan; Dutta, Parul; Santra, Manas Kumar; Cardoso, Marlon H.; Oshiro, Karen G. N.; Franco, Octávio L.; Bertolasi, Valerio; Isab, Anvarhusein A.; Bielawski, Christopher W.; Dinda, Joydev","Synthesis and cytotoxic characteristics displayed by a series of Ag(i)-, Au(i)- and Au(iii)-complexes supported by a common N-heterocyclic carbene","New Journal of Chemistry","2018","42","16","13948","","10.1039/C8NJ02008F","","","0.71073","MoKα","","0.0842","0.0546","","","0.1527","0.1714","","","","","","1.056","","","","has coordinates","230352","2020-10-21","18:00:00",""
"7057571","9.4758","0.0014","8.939","0.0013","28.633","0.004","90","","95.851","0.004","90","","2412.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 Cu2 N4 O14 -","- C17 H30 Cu2 N4 O14 -","- C68 H120 Cu8 N16 O56 -","4","1","","Das, Manisha; Craig, Gavin A.; Escudero, Daniel; Murrie, Mark; Frontera, Antonio; Ray, Debashis","A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions","New Journal of Chemistry","2018","42","17","14349","","10.1039/C8NJ02131G","","","0.71073","MoKα","","0.1068","0.0875","","","0.1963","0.205","","","","","","1.138","","","","has coordinates,has disorder","230287","2020-10-21","18:00:00",""
"7057572","14.113","0.0014","17.8567","0.0018","12.474","0.0012","90","","107.507","0.003","90","","2998","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Cu5 F18 N4 O24 -","- C46 H52 Cu5 F18 N4 O24 -","- C92 H104 Cu10 F36 N8 O48 -","2","0.5","","Das, Manisha; Craig, Gavin A.; Escudero, Daniel; Murrie, Mark; Frontera, Antonio; Ray, Debashis","A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions","New Journal of Chemistry","2018","42","17","14349","","10.1039/C8NJ02131G","","","0.71073","MoKα","","0.0745","0.0576","","","0.1561","0.1679","","","","","","1.069","","","","has coordinates,has disorder","230287","2020-10-21","18:00:00",""
"7057573","13.616","0.003","14.129","0.003","15.755","0.004","105.525","0.006","94.758","0.006","112.669","0.006","2635.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Cl4 Cu4 N4 O32 -","- C34 H58 Cl4 Cu4 N4 O32 -","- C68 H116 Cl8 Cu8 N8 O64 -","2","1","","Das, Manisha; Craig, Gavin A.; Escudero, Daniel; Murrie, Mark; Frontera, Antonio; Ray, Debashis","A family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions","New Journal of Chemistry","2018","42","17","14349","","10.1039/C8NJ02131G","","","0.71073","MoKα","","0.044","0.0372","","","0.1009","0.1053","","","","","","1.04","","","","has coordinates","230287","2020-10-21","18:00:00",""
"7057574","19.003","0.006","11.34","0.004","15.08","0.005","90","","102.27","0.02","90","","3175.4","1.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Ag N7 O3 S3 -","- C27 H30 Ag N7 O3 S3 -","- C108 H120 Ag4 N28 O12 S12 -","4","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Paul, Anup; Crispini, Alessandra; Giorno, Eugenia; Lelj, Francesco; Stoia, Sonia; Amati, Mario","Effects of methyl groups in a pyrimidine-based flexible ligand on the formation of silver(i) coordination networks","New Journal of Chemistry","2018","42","16","13998","","10.1039/C8NJ02823K","","","0.71073","MoKα","","0.0699","0.0404","","","0.0977","0.1162","","","","","","0.989","","","","has coordinates","230347","2020-10-21","18:00:00",""
"7057575","20.058","0.004","11.42","0.002","15.067","0.003","90","","100.308","0.014","90","","3395.6","1.1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Ag F3 N6 O2.5 S3 -","- C29 H31 Ag F3 N6 O2.5 S3 -","- C116 H124 Ag4 F12 N24 O10 S12 -","4","1","","Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Paul, Anup; Crispini, Alessandra; Giorno, Eugenia; Lelj, Francesco; Stoia, Sonia; Amati, Mario","Effects of methyl groups in a pyrimidine-based flexible ligand on the formation of silver(i) coordination networks","New Journal of Chemistry","2018","42","16","13998","","10.1039/C8NJ02823K","","","0.71073","MoKα","","0.1108","0.0552","","","0.0993","0.1221","","","","","","1.065","","","","has coordinates,has disorder","230347","2020-10-21","18:00:00",""
"7057576","8.4936","0.0003","20.1361","0.0006","16.0228","0.0004","90","","90.181","0.003","90","","2740.33","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O7 S Zn -","- C23 H20 N4 O7 S Zn -","- C92 H80 N16 O28 S4 Zn4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Zhang, Ting; Cui, Jia-Jia; Gao, Yue; Yao, Jia-Xin","Construction of two Zn(ii)/Cd(ii) multifunctional coordination polymers with mixed ligands for catalytic and sensing properties","New Journal of Chemistry","2018","42","17","14203","","10.1039/C8NJ02055H","","","0.71073","MoKα","","0.0623","0.0526","","","0.1219","0.1262","","","","","","1.071","","","","has coordinates","230289","2020-10-21","18:00:00",""
"7057577","9.7826","0.0005","20.2974","0.0011","13.2462","0.0008","90","","92.413","0.005","90","","2627.9","0.3","289.1","0.2","289.1","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cd N4 O9 S -","- C23 H23.68 Cd N4 O9 S -","- C92 H94.72 Cd4 N16 O36 S4 -","4","1","","Xue, Li-Ping; Li, Zhao-Hao; Zhang, Ting; Cui, Jia-Jia; Gao, Yue; Yao, Jia-Xin","Construction of two Zn(ii)/Cd(ii) multifunctional coordination polymers with mixed ligands for catalytic and sensing properties","New Journal of Chemistry","2018","42","17","14203","","10.1039/C8NJ02055H","","x-ray","0.71073","MoKα","","0.1214","0.0828","","","0.2049","0.2172","","","","","","1.187","","","","has coordinates,has disorder","230289","2020-10-21","18:00:00",""
"7057578","4.60137","0.00012","7.6252","0.0002","9.3955","0.0002","101.958","0.0019","96.9215","0.0017","103.461","0.0019","308.669","0.014","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H10 O10 -","- C14 H10 O10 -","- C14 H10 O10 -","1","0.5","","Tokutomi, Hisashi; Wu, JianYun; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Phase transition and molecular assembly structure of ellagic acid ester derivatives","New Journal of Chemistry","2018","42","18","14700","","10.1039/C8NJ02609B","","","1.54187","CuKα","","0.0456","0.0388","","","0.1092","0.1221","","","","","","1.149","","","","has coordinates","230487","2020-10-21","18:00:00",""
"7057579","5.451","0.0003","14.8082","0.0007","17.0789","0.0007","84.393","0.002","85.111","0.002","87.553","0.002","1366.19","0.11","300","","300","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O12 -","- C30 H30 O12 -","- C60 H60 O24 -","2","1","","Tokutomi, Hisashi; Wu, JianYun; Takeda, Takashi; Hoshino, Norihisa; Akutagawa, Tomoyuki","Phase transition and molecular assembly structure of ellagic acid ester derivatives","New Journal of Chemistry","2018","42","18","14700","","10.1039/C8NJ02609B","","","1.54187","CuKα","","0.1966","0.1047","","","0.2367","0.3152","","","","","","0.848","","","","has coordinates","230487","2020-10-21","18:00:00",""
"7057580","12.1038","0.0005","14.7568","0.0006","15.3023","0.0006","115.99","0.002","94.709","0.002","104.671","0.002","2317.36","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O2 Sn -","- C25 H29 N O2 Sn -","- C100 H116 N4 O8 Sn4 -","4","2","","Cantón-Díaz, Arelly M.; Muñoz-Flores, Blanca M.; Moggio, Ivana; Arias, Eduardo; De León, Arxel; García-López, María C.; Santillán, Rosa; Ochoa, María E.; Jiménez-Pérez, Víctor M.","One-pot microwave-assisted synthesis of organotin Schiff bases: an optical and electrochemical study towards their effects in organic solar cells","New Journal of Chemistry","2018","42","17","14586","","10.1039/C8NJ02998A","","","0.71073","MoKα","","0.132","0.0525","","","0.1305","0.1661","","","","","","0.953","","","","has coordinates","230285","2020-10-21","18:00:00",""
"7057581","15.691","0.0002","18.7892","0.0003","15.7621","0.0002","90","","89.97","0.001","90","","4647","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20.5 N O2 Sn -","- C29 H21 N O2 Sn -","- C232 H168 N8 O16 Sn8 -","8","2","","Cantón-Díaz, Arelly M.; Muñoz-Flores, Blanca M.; Moggio, Ivana; Arias, Eduardo; De León, Arxel; García-López, María C.; Santillán, Rosa; Ochoa, María E.; Jiménez-Pérez, Víctor M.","One-pot microwave-assisted synthesis of organotin Schiff bases: an optical and electrochemical study towards their effects in organic solar cells","New Journal of Chemistry","2018","42","17","14586","","10.1039/C8NJ02998A","","x-ray","0.71073","MoKα","","0.0693","0.0585","","","0.1573","0.1724","","","","","","1.046","","","","has coordinates","230285","2020-10-21","18:00:00",""
"7057582","10.3098","0.0002","10.9946","0.0002","12.5795","0.0002","67.373","0.001","79.333","0.001","75.19","0.001","1266.41","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 N2 O4 Sn -","- C30 H21 N O4 Sn -","- C60 H42 N2 O8 Sn2 -","2","1","","Cantón-Díaz, Arelly M.; Muñoz-Flores, Blanca M.; Moggio, Ivana; Arias, Eduardo; De León, Arxel; García-López, María C.; Santillán, Rosa; Ochoa, María E.; Jiménez-Pérez, Víctor M.","One-pot microwave-assisted synthesis of organotin Schiff bases: an optical and electrochemical study towards their effects in organic solar cells","New Journal of Chemistry","2018","42","17","14586","","10.1039/C8NJ02998A","","x-ray","0.71073","MoKα","","0.0318","0.0274","","","0.0667","0.0696","","","","","","1.085","","","","has coordinates","230285","2020-10-21","18:00:00",""
"7057583","6.6116","0.0002","12.1182","0.0005","15.0179","0.0007","110.945","0.004","98.955","0.003","92.334","0.003","1103.97","0.08","200","0.1","200","0.1","","","","","","","","4","P 1","P 1","1","","","","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","- C40 H60 N12 O12 -","1","1","","Tănase, Constantin I.; Drăghici, Constantin; Shova, Sergiu; Hanganu, Anamaria; Gal, Emese; Munteanu, Cristian V. A.","A long-range tautomeric effect on a new Schiff isoniazid analogue, evidenced by NMR study and X-ray crystallography","New Journal of Chemistry","2018","42","17","14459","","10.1039/C8NJ01680A","","x-ray","0.71073","MoKα","","0.0533","0.0455","","","0.0931","0.0978","","","","","","1.029","","","","has coordinates","230284","2020-10-21","18:00:00",""
"7057584","14.9534","0.0006","23.9949","0.0009","15.9759","0.0006","90","","112.674","0.002","90","","5289.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N2 O5 Zn -","- C23 H17 N2 O5 Zn -","- C184 H136 N16 O40 Zn8 -","8","1","","Tarasi, Somayeh; Azhdari Tehrani, Alireza; Morsali, Ali; Retailleau, Pascal","Fabrication of amine and imine-functionalized isoreticular pillared-layer metal‒organic frameworks for the highly selective detection of nitro-aromatics","New Journal of Chemistry","2018","42","18","14772","","10.1039/C8NJ02407C","","","1.54178","CuKα","","0.0345","0.0306","","","0.083","0.0848","","","","","","1.052","","","","has coordinates","230468","2020-10-21","18:00:00",""
"7057585","14.6564","0.0009","25.3323","0.001","15.943","0.0008","90","","109.865","0.006","90","","5567.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N3 O6 Zn -","- C25 H18 N2 O5 Zn -","- C200 H144 N16 O40 Zn8 -","8","1","","Tarasi, Somayeh; Azhdari Tehrani, Alireza; Morsali, Ali; Retailleau, Pascal","Fabrication of amine and imine-functionalized isoreticular pillared-layer metal‒organic frameworks for the highly selective detection of nitro-aromatics","New Journal of Chemistry","2018","42","18","14772","","10.1039/C8NJ02407C","","x-ray","0.71073","MoKα","","0.0598","0.0427","","","0.1068","0.1146","","","","","","1.015","","","","has coordinates","230468","2020-10-21","18:00:00",""
"7057586","12.5891","0.0004","7.7739","0.0002","14.124","0.0004","90","","100.466","0.001","90","","1359.27","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Poomathi, Nataraj; Balaji, Ravichandran; Maheswari, Narayanan Uma; Mathivanan, Narayanasamy; Perumal, Paramasivan T.; Balasubramanian, Kalpattu K.; Barathi, Veluchamy Amutha; Ramakrishna, Seeram","Brønsted acid catalysed eco friendly synthesis of quaternary centred C-3 functionalized oxindole derivatives","New Journal of Chemistry","2018","42","18","14817","","10.1039/C8NJ02276C","","","0.71073","MoKα","","0.0483","0.0409","","","0.11","0.1158","","","","","","1.072","","","","has coordinates,has disorder","230469","2020-10-21","18:00:00",""
"7057587","19.4006","0.0008","19.7985","0.0007","22.1693","0.0015","90","","90","","90","","8515.3","0.7","98","","98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C116 H120 Fe8 K11 N12 O87.6 -","- C116 H120 Fe8 K11 N12 O87.6 -","- C232 H240 Fe16 K22 N24 O175.2 -","2","0.5","","Stewart, Christopher D.; Arman, Hadi; Benavides, Brenda; Musie, Ghezai T.","Crystal structure of gluconate bound iron(iii) complex: synthesis, characterization and redox properties of the complex in aqueous solution","New Journal of Chemistry","2018","42","18","15088","","10.1039/C8NJ01886C","","","0.71073","MoKα","","0.0705","0.0621","","","0.161","0.1661","","","","","","1.135","","","","has coordinates,has disorder","230467","2020-10-21","18:00:00",""
"7057588","12.368","0.003","6.1353","0.0012","13.01","0.003","90","","99.24","0.03","90","","974.4","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N18 O6 -","- C8 H10 N18 O6 -","- C16 H20 N36 O12 -","2","0.5","","Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming","A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts","New Journal of Chemistry","2018","42","17","14087","","10.1039/C8NJ01180J","","","0.71073","MoKα","","0.0621","0.0555","","","0.1278","0.1325","","","","","","1.136","","","","has coordinates","230286","2020-10-21","18:00:00",""
"7057589","11.727","0.002","7.3404","0.0015","13.67","0.003","90","","90.36","0.03","90","","1176.7","0.4","153","2","153","2","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C8 H20 N30 O4 -","- C8 H20 N30 O4 -","- C16 H40 N60 O8 -","2","1","","Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming","A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts","New Journal of Chemistry","2018","42","17","14087","","10.1039/C8NJ01180J","","","0.71073","MoKα","","0.0604","0.0532","","","0.105","0.1221","","","","","","1.131","","","","has coordinates","230286","2020-10-21","18:00:00",""
"7057590","15.406","0.003","8.9944","0.0018","15.496","0.003","90","","119.61","0.03","90","","1866.8","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 N20 O6 -","- C7 H16 N20 O6 -","- C28 H64 N80 O24 -","4","1","","Zhao, Baojing; Li, Xingye; Wang, Piaopiao; Ding, Yongzhi; Zhou, Zhiming","A novel facile transformation to 1,2-bis(3-nitro-1-(1H-tetrazol-5-yl)-1H-1,2,4-triazol-5-yl)hydrazine salts","New Journal of Chemistry","2018","42","17","14087","","10.1039/C8NJ01180J","","","0.71073","MoKα","","0.0909","0.0742","","","0.1564","0.1664","","","","","","1.149","","","","has coordinates","230286","2020-10-21","18:00:00",""
"7057591","9.189","0.0006","22.4128","0.0017","13.3425","0.0013","90","","93.485","0.008","90","","2742.8","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluorocytosine; 5-Flucytosine; 5-FC; 5FC-CAF","5-Fluorocytosine caffeine cocrystal","","- C24 H28 F2 N14 O6 -","- C24 H28 F2 N14 O6 -","- C96 H112 F8 N56 O24 -","4","1","","Souza, Matheus S.; Diniz, Luan F.; Vogt, Lautaro; Carvalho, Paulo S.; D’vries, Richard F.; Ellena, Javier","Avoiding irreversible 5-fluorocytosine hydration via supramolecular synthesis of pharmaceutical cocrystals","New Journal of Chemistry","2018","42","18","14994","","10.1039/C8NJ02647E","","","0.71073","MoKα","","0.1104","0.0671","","","0.1896","0.2286","","","","","","1.036","","","","has coordinates","230470","2020-10-21","18:00:00",""
"7057592","4.8695","0.0003","24.4911","0.0016","9.8792","0.0006","90","","97.567","0.006","90","","1167.93","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluorocytosine; 5-Flucytosine; 5-FC; 5FC-PABA","5-Fluorocytosine p-aminobenzoic acid cocrystal","","- C11 H11 F N4 O3 -","- C11 H11 F N4 O3 -","- C44 H44 F4 N16 O12 -","4","1","","Souza, Matheus S.; Diniz, Luan F.; Vogt, Lautaro; Carvalho, Paulo S.; D’vries, Richard F.; Ellena, Javier","Avoiding irreversible 5-fluorocytosine hydration via supramolecular synthesis of pharmaceutical cocrystals","New Journal of Chemistry","2018","42","18","14994","","10.1039/C8NJ02647E","","","0.71073","MoKα","","0.0674","0.0565","","","0.1426","0.15","","","","","","1.074","","","","has coordinates,has disorder","230470","2020-10-21","18:00:00",""
"7057593","5.2617","0.0008","8.7066","0.0014","15.71","0.002","81.892","0.003","85.884","0.003","84.46","0.003","707.94","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","5-Fluorocytosine; 5-Flucytosine; 5-FC; 5FC-CA","5-Fluorocytosine caprylic acid cocrystal","","- C12 H20 F N3 O3 -","- C12 H20 F N3 O3 -","- C24 H40 F2 N6 O6 -","2","1","","Souza, Matheus S.; Diniz, Luan F.; Vogt, Lautaro; Carvalho, Paulo S.; D’vries, Richard F.; Ellena, Javier","Avoiding irreversible 5-fluorocytosine hydration via supramolecular synthesis of pharmaceutical cocrystals","New Journal of Chemistry","2018","42","18","14994","","10.1039/C8NJ02647E","","","0.71073","MoKα","","0.0865","0.056","","","0.1817","0.2134","","","","","","1.078","","","","has coordinates","230470","2020-10-21","18:00:00",""
"7057594","9.0805","0.0018","17.501","0.004","30.181","0.006","90","","90","","90","","4796.3","1.7","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cd I2 N4 O2 S2 -","- C16 H22 Cd I2 N4 O2 S2 -","- C128 H176 Cd8 I16 N32 O16 S16 -","8","1","","Notash, Behrouz; Rezaei Kheirkhah, Bahareh","The effect of solvent on one-dimensional cadmium coordination polymers","New Journal of Chemistry","2018","42","18","15014","","10.1039/C8NJ02110D","","","0.71073","MoKα","","0.0861","0.0358","","","0.073","0.0814","","","","","","0.814","","","","has coordinates","230490","2020-10-21","18:00:00",""
"7057595","8.58","0.0017","15.794","0.003","11.736","0.002","90","","90","","90","","1590.4","0.5","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 Cd I2 N4 -","- C12 H10 Cd I2 N4 -","- C48 H40 Cd4 I8 N16 -","4","0.5","","Notash, Behrouz; Rezaei Kheirkhah, Bahareh","The effect of solvent on one-dimensional cadmium coordination polymers","New Journal of Chemistry","2018","42","18","15014","","10.1039/C8NJ02110D","","","0.71073","MoKα","","0.0549","0.0389","","","0.0874","0.0917","","","","","","0.949","","","","has coordinates","230490","2020-10-21","18:00:00",""
"7057596","24.984","0.005","9.45","0.0019","12.221","0.002","90","","90.64","0.03","90","","2885.2","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 Cl Mn N4 O7 -","- C26 H40 Cl Mn N4 O7 -","- C104 H160 Cl4 Mn4 N16 O28 -","4","0.5","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.7","synchrotron","","0.0767","0.0725","","","0.2236","0.2311","","","","","","1.175","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057597","12.3979","0.0005","18.3692","0.0007","14.6907","0.0006","90","","102.363","0.002","90","","3268.1","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Mn N7 O3 S3 -","- C29 H38 Mn N7 O3 S3 -","- C116 H152 Mn4 N28 O12 S12 -","4","1","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0643","0.05","","","0.1157","0.1277","","","","","","1.064","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057598","12.4782","0.0018","19.001","0.003","14.782","0.002","90","","99.092","0.011","90","","3460.8","0.9","293","2","293","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C31 H42 Mn N7 O3 S3 -","- C31 H42 Mn N7 O3 S3 -","- C124 H168 Mn4 N28 O12 S12 -","4","1","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.1261","0.0722","","","0.1793","0.2104","","","","","","1.074","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057599","13.9084","0.0009","17.6216","0.0011","12.8571","0.0008","90","","111.689","0.001","90","","2928","0.3","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Mn N5 O6 S -","- C27 H38 Mn N5 O6 S -","- C108 H152 Mn4 N20 O24 S4 -","4","1","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0488","0.0341","","","0.0795","0.0865","","","","","","1.092","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057600","10.5565","0.0004","11.1309","0.0004","16.0329","0.0006","69.998","0.001","79.391","0.002","81.774","0.002","1733.47","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80.48 Cl1.12 Mn2 N16.88 O5.12 S4.88 -","- C58 H80.48 Cl1.12 Mn2 N16.88 O5.12 S4.88 -","- C58 H80.48 Cl1.12 Mn2 N16.88 O5.12 S4.88 -","1","0.5","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho–ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0668","0.0458","","","0.1069","0.1196","","","","","","1.042","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7057601","18.0383","0.0006","6.8439","0.0002","23.7518","0.0008","90","","100.353","0.002","90","","2884.48","0.16","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H38 Br Mn N4 O6 -","- C26 H38 Br Mn N4 O6 -","- C104 H152 Br4 Mn4 N16 O24 -","4","0.5","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0286","0.0241","","","0.0625","0.0651","","","","","","1.036","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057602","9.487","0.001","10.508","0.002","10.717","0.001","89.83","0.005","69.668","0.004","63.17","0.004","878.7","0.2","268","2","268","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 I3 Mn N4 O6 -","- C28 H42 I3 Mn N4 O6 -","- C28 H42 I3 Mn N4 O6 -","1","0.5","","Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis","Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis","New Journal of Chemistry","2018","42","18","14933","","10.1039/C8NJ02634C","","","0.71073","MoKα","","0.0833","0.0584","","","0.1486","0.1725","","","","","","1.072","","","","has coordinates","230478","2020-10-21","18:00:00",""
"7057603","17.822","0.004","21.597","0.004","18.153","0.004","90","","110.397","0.005","90","","6549","2","133","2","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C154 H125 Eu4 N13 O16 -","- C154 H123 Eu4 N13 O16 -","- C308 H246 Eu8 N26 O32 -","2","0.5","","Wang, Wen-Min; Han, Tong-Lei; Shao, Yan-Ling; Qiao, Xin-Yi; Wu, Zhi-Lei; Wang, Qing-Li; Shi, Peng Fei; Gao, Hong-Ling; Cui, Jian-Zhong","Butterfly-shaped tetranuclear Ln4 clusters showing magnetic refrigeration and single molecule-magnet behavior","New Journal of Chemistry","2018","42","18","14949","","10.1039/C8NJ02479K","","","0.71073","MoKα","","0.0977","0.0576","","","0.1403","0.16","","","","","","0.985","","","","has coordinates,has disorder","230480","2020-10-21","18:00:00",""
"7057604","17.845","0.004","21.607","0.007","18.168","0.004","90","","110.487","0.009","90","","6562","3","133","2","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C156 H128 Gd4 N14 O16 -","- C156 H128 Gd4 N14 O16 -","- C312 H256 Gd8 N28 O32 -","2","0.5","","Wang, Wen-Min; Han, Tong-Lei; Shao, Yan-Ling; Qiao, Xin-Yi; Wu, Zhi-Lei; Wang, Qing-Li; Shi, Peng Fei; Gao, Hong-Ling; Cui, Jian-Zhong","Butterfly-shaped tetranuclear Ln4 clusters showing magnetic refrigeration and single molecule-magnet behavior","New Journal of Chemistry","2018","42","18","14949","","10.1039/C8NJ02479K","","","0.71073","MoKα","","0.0507","0.0404","","","0.1082","0.1152","","","","","","1.055","","","","has coordinates,has disorder","230480","2020-10-21","18:00:00",""
"7057605","17.813","0.004","21.61","0.005","18.034","0.005","90","","109.505","0.008","90","","6544","3","299","2","299.24","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H120 Dy4 N12 O16 -","- C152 H120 Dy4 N12 O16 -","- C304 H240 Dy8 N24 O32 -","2","0.5","","Wang, Wen-Min; Han, Tong-Lei; Shao, Yan-Ling; Qiao, Xin-Yi; Wu, Zhi-Lei; Wang, Qing-Li; Shi, Peng Fei; Gao, Hong-Ling; Cui, Jian-Zhong","Butterfly-shaped tetranuclear Ln4 clusters showing magnetic refrigeration and single molecule-magnet behavior","New Journal of Chemistry","2018","42","18","14949","","10.1039/C8NJ02479K","","","0.71073","MoKα","","0.1431","0.0817","","","0.1876","0.235","","","","","","1.068","","","","has coordinates,has disorder","230480","2020-10-21","18:00:00",""
"7057606","13.0154","0.0013","12.387","0.0013","20.7837","0.0018","90","","112.885","0.005","90","","3087","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 B2 Na2 O10 -","- C68 H80 B2 Na2 O10 -","- C136 H160 B4 Na4 O20 -","2","0.5","","Yuan, Guo-Jun; Liu, Shao-Xian; Tian, Zheng-Fang; Ren, Xiao-Ming","A high temperature reversible phase transition in a supramolecular complex of 15-crown-5 with tetraphenylboron sodium","New Journal of Chemistry","2018","42","18","14943","","10.1039/C8NJ02754D","","","0.71073","MoKα","","0.0663","0.055","","","0.1493","0.1629","","","","","","1.043","","","","has coordinates","230488","2020-10-21","18:00:00",""
"7057607","7.8768","0.0012","13.917","0.002","17.713","0.003","104.199","0.004","93.373","0.004","105.059","0.004","1802.1","0.5","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C43 H43 Cl2 N Ru -","- C43 H43 Cl2 N Ru -","- C86 H86 Cl4 N2 Ru2 -","2","1","","Nirmala, Muthukumaran; Adinarayana, Mannem; Ramesh, Karupnaswamy; Maruthupandi, Mannarsamy; Vaddamanu, Moulali; Raju, Gembali; Prabusankar, Ganesan","Water-soluble superbulky (η6-p-cymene) ruthenium(ii) amine: an active catalyst in the oxidative homocoupling of arylboronic acids and the hydration of organonitriles","New Journal of Chemistry","2018","42","18","15221","","10.1039/C8NJ03715A","","","0.71073","MoKα","","0.0346","0.0299","","","0.0827","0.0871","","","","","","1.0488","","","","has coordinates","230473","2020-10-21","18:00:00",""
"7057608","9.6253","0.0001","11.0961","0.0002","17.7617","0.0002","90","","94.06","0.001","90","","1892.25","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Au I N3 -","- C18 H19 Au I N3 -","- C72 H76 Au4 I4 N12 -","4","1","","Priante-Flores, Armando; Salazar-Pereda, Verónica; Rheingold, Arnold L.; Mendoza-Espinosa, Daniel","Synthesis and characterization of a gold(i) bis(triazolylidene) complex featuring a large [(TpMe2)2K] anion","New Journal of Chemistry","2018","42","19","15533","","10.1039/C8NJ03318H","","x-ray","1.54184","CuKα","","0.0391","0.0318","","","0.0813","0.0871","","","","","","1.04","","","","has coordinates","230336","2020-10-21","18:00:00",""
"7057609","14.1732","0.0003","15.601","0.0003","19.7007","0.0005","76.639","0.002","73.137","0.002","89.372","0.002","4048.63","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 Au B2 K N18 -","- C66 H82 Au B2 K N18 -","- C132 H164 Au2 B4 K2 N36 -","2","1","","Priante-Flores, Armando; Salazar-Pereda, Verónica; Rheingold, Arnold L.; Mendoza-Espinosa, Daniel","Synthesis and characterization of a gold(i) bis(triazolylidene) complex featuring a large [(TpMe2)2K] anion","New Journal of Chemistry","2018","42","19","15533","","10.1039/C8NJ03318H","","x-ray","1.54184","CuKα","","0.0455","0.0398","","","0.1046","0.1089","","","","","","1.076","","","","has coordinates","230336","2020-10-21","18:00:00",""
"7057610","14.7835","0.0003","15.7197","0.0003","16.7848","0.0004","82.05","0.002","83.87","0.002","87.964","0.002","3840.23","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 Au B2 K N18 -","- C66 H82 Au B2 K N18 -","- C132 H164 Au2 B4 K2 N36 -","2","1","","Priante-Flores, Armando; Salazar-Pereda, Verónica; Rheingold, Arnold L.; Mendoza-Espinosa, Daniel","Synthesis and characterization of a gold(i) bis(triazolylidene) complex featuring a large [(TpMe2)2K] anion","New Journal of Chemistry","2018","42","19","15533","","10.1039/C8NJ03318H","","x-ray","0.71073","MoKα","","0.085","0.037","","","0.0755","0.0938","","","","","","1.028","","","","has coordinates","230336","2020-10-21","18:00:00",""
"7057611","22.601","0.008","10.967","0.004","11.29","0.004","90","","92.377","0.011","90","","2796","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 F N2 O5 -","- C31 H33 F N2 O5 -","- C124 H132 F4 N8 O20 -","4","1","","Guo, Wei; Du, Shuang; Lin, Yulong; Lu, Bo; Yang, Caiqin; Wang, Jing; Zeng, Yanli","Structural and computational insights into the enhanced solubility of dipfluzine by complexation: salt and salt-cocrystal","New Journal of Chemistry","2018","42","18","15068","","10.1039/C8NJ01576G","","","0.71073","MoKα","","0.1698","0.0669","","","0.1539","0.2103","","","","","","1.019","","","","has coordinates","230483","2020-10-21","18:00:00",""
"7057612","26.15","0.009","10.936","0.003","11.963","0.003","90","","97.49","0.008","90","","3391.9","1.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H79 F2 N5 O11 -","- C77 H79 F2 N5 O11 -","- C154 H158 F4 N10 O22 -","2","1","","Guo, Wei; Du, Shuang; Lin, Yulong; Lu, Bo; Yang, Caiqin; Wang, Jing; Zeng, Yanli","Structural and computational insights into the enhanced solubility of dipfluzine by complexation: salt and salt-cocrystal","New Journal of Chemistry","2018","42","18","15068","","10.1039/C8NJ01576G","","","0.71073","MoKα","","0.1396","0.0572","","","0.1207","0.1714","","","","","","1.043","","","","has coordinates","230483","2020-10-21","18:00:00",""
"7057613","8.735","0.002","27.547","0.006","12.463","0.003","90","","94.484","0.007","90","","2989.7","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 F N2 O4 -","- C34 H35 F N2 O4 -","- C136 H140 F4 N8 O16 -","4","1","","Guo, Wei; Du, Shuang; Lin, Yulong; Lu, Bo; Yang, Caiqin; Wang, Jing; Zeng, Yanli","Structural and computational insights into the enhanced solubility of dipfluzine by complexation: salt and salt-cocrystal","New Journal of Chemistry","2018","42","18","15068","","10.1039/C8NJ01576G","","","0.71073","MoKα","","0.2199","0.0548","","","0.0903","0.1221","","","","","","0.969","","","","has coordinates,has disorder","230483","2020-10-21","18:00:00",""
"7057614","6.7385","0.0015","12.049","0.002","13.301","0.003","90","","105.32","0.03","90","","1041.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 Br F6 N P -","- C4 H11 Br F6 N P -","- C16 H44 Br4 F24 N4 P4 -","4","1","","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","A high-temperature molecular ferroelastic phase transition and switchable dielectric response in the trimethylbromomethylammonium salt [C4H11NBr] [PF6]","New Journal of Chemistry","2018","42","18","14909","","10.1039/C8NJ02645A","","","0.71073","MoKα","","0.1415","0.0779","","","0.2052","0.2422","","","","","","1.045","","","","has coordinates","230477","2020-10-21","18:00:00",""
"7057615","12.9587","0.0003","19.2226","0.0004","25.849","0.0005","90","","93.359","0.001","90","","6427.9","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H84 O27 Ti8 -","- C47 H84 O27 Ti8 -","- C188 H336 O108 Ti32 -","4","1","","Huang, Yang; Zou, Guo-Dong; Li, Hua-Min; Cui, Ying; Fan, Yang","A photoactive {Ti16} metal‒organic capsule: structural, photoelectrochemical and photocatalytic properties","New Journal of Chemistry","2018","42","17","14079","","10.1039/C8NJ02992J","","","1.54178","CuKα","","0.0612","0.0535","","","0.1479","0.1552","","","","","","1.06","","","","has coordinates,has disorder","230288","2020-10-21","18:00:00",""
"7057616","12.6584","0.0005","16.2449","0.0006","33.8431","0.0012","90","","96.617","0.003","90","","6912.9","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H76 O17 P4 Ti4 -","- C63 H76 O17 P4 Ti4 -","- C252 H304 O68 P16 Ti16 -","4","1","","Huang, Yang; Zou, Guo-Dong; Li, Hua-Min; Cui, Ying; Fan, Yang","A photoactive {Ti16} metal‒organic capsule: structural, photoelectrochemical and photocatalytic properties","New Journal of Chemistry","2018","42","17","14079","","10.1039/C8NJ02992J","","","0.71073","MoKα","","0.1037","0.0696","","","0.175","0.2","","","","","","1.043","","","","has coordinates,has disorder","230288","2020-10-21","18:00:00",""
"7057617","9.4067","0.0011","9.615","0.0011","14.1821","0.0016","90","","104.252","0.003","90","","1243.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BPhCz","9, 9'-diphenyl-9H, 9'H-3, 3'-bicarbazole","","- C36 H24 N2 -","- C36 H24 N2 -","- C72 H48 N4 -","2","0.5","","Yuan, Jie; Jin, Lu; Chen, Runfeng; Tang, Xingxing; Xie, Xiang; Tang, Yuting; Huang, Wei","Eaton's reagent assisted aromatic C‒C coupling of carbazoles for optoelectronic applications","New Journal of Chemistry","2018","42","18","14704","","10.1039/C8NJ03296C","","","0.71073","MoKα","","0.0589","0.0502","","","0.1136","0.1213","","","","","","1.093","","","","has coordinates","230484","2020-10-21","18:00:00",""
"7057618","19.63","0.005","19.63","0.005","19.63","0.005","90","0.005","90","0.005","90","0.005","7564","3","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C50 H38 K N12 O14 Zn2 -","- C49.98 H30 K N12 O14 Zn2 -","- C199.92 H120 K4 N48 O56 Zn8 -","4","0.166667","","Zhao, Yan-Ning; Zhang, Shu-Ran; Wang, Wei; Xu, Yan-Hong; Che, Guang-Bo","A 3D metal‒organic framework with dual-aerial-octahedral trinucleate building units: synthesis, structure and fluorescence sensing properties","New Journal of Chemistry","2018","42","17","14648","","10.1039/C8NJ02078G","","","0.71069","MoKα","","0.143","0.1343","","","0.3903","0.399","","","","","","2.188","","","","has coordinates","230283","2020-10-21","18:00:00",""
"7057619","8.4327","0.0005","15.0083","0.0009","8.6042","0.0005","90","","96.354","0.002","90","","1082.26","0.11","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H25 F6 O2 P Ru -","- C20 H25 F6 O2 P Ru -","- C40 H50 F12 O4 P2 Ru2 -","2","1","","Celedón, Salvador; de Camargo, Andrea S. S.; Fuentealba, Mauricio; Artigas, Vania; Benavente, Eglantina; González, Guillermo","Highly emissive host‒guest based on nanoclay intercalated with an Eu3+ complex bearing a new Ru2+ organometallic ligand","New Journal of Chemistry","2018","42","18","15284","","10.1039/C8NJ02432D","","","0.71073","MoKα","","0.0339","0.0317","","","0.0851","0.0872","","","","","","1.052","","","","has coordinates,has disorder","230491","2020-10-21","18:00:00",""
"7057620","19.0058","0.0013","10.2651","0.0007","15.674","0.0011","90","","90.833","0.001","90","","3057.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N8 O4 Ru S2 -","- C28 H30 N8 O4 Ru S2 -","- C112 H120 N32 O16 Ru4 S8 -","4","0.5","","Akula, Suri Babu; Su, Chaochin; Wang, Hsiou-Hsuan; Chen, Huei-Siou; Li, Ting-Yu; Chen, Bo-Ren; Chang, Chih-Chien; Li, Wen-Ren","Synthesis and characterization of carbene-pyridyl anchoring Ru(ii) dyes with various binding functionalities for photoelectrochemical cells","New Journal of Chemistry","2018","42","18","15245","","10.1039/C8NJ02658K","","","0.71073","MoKα","","0.0416","0.0395","","","0.1105","0.1114","","","","","","1.188","","","","has coordinates,has disorder","230476","2020-10-21","18:00:00",""
"7057621","14.433","0.007","12.378","0.006","13.442","0.006","90","","102.169","0.008","90","","2347.5","1.9","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Co F4 N P2 -","- C23 H26 Co F4 N P2 -","- C92 H104 Co4 F16 N4 P8 -","4","1","","Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances","New Journal of Chemistry","2018","42","19","15578","","10.1039/C8NJ02979B","","","0.71073","MoKα","","0.0481","0.0324","","","0.0919","0.1047","","","","","","0.994","","","","has coordinates","230326","2020-10-21","18:00:00",""
"7057622","14.015","0.003","12.369","0.003","13.372","0.003","90","","101.86","0.03","90","","2268.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Co F2 N P2 -","- C23 H28 Co F2 N P2 -","- C92 H112 Co4 F8 N4 P8 -","4","1","","Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances","New Journal of Chemistry","2018","42","19","15578","","10.1039/C8NJ02979B","","","0.71073","MoKα","","0.0361","0.0295","","","0.0843","0.0946","","","","","","0.613","","","","has coordinates","230326","2020-10-21","18:00:00",""
"7057623","16.6","0.002","15.531","0.002","19.029","0.003","90","","90","","90","","4906","1.2","298","","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Co F2 I N P2 -","- C23 H27 Co F2 I N P2 -","- C184 H216 Co8 F16 I8 N8 P16 -","8","1","","Yang, Fei; Wang, Yangyang; Lu, Faguan; Xie, Shangqing; Qi, Xinghao; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Preparation of hydrido [CNC]-pincer cobalt complexes via selective C‒H/C‒F bond activation and their catalytic performances","New Journal of Chemistry","2018","42","19","15578","","10.1039/C8NJ02979B","","","0.71073","MoKα","","0.0961","0.0497","","","0.1171","0.1345","","","","","","1.047","","","","has coordinates","230326","2020-10-21","18:00:00",""
"7057624","9.962","0.003","12.927","0.003","13.826","0.004","90","","103.856","0.004","90","","1728.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F4 N2 O4 Pb -","- C18 H8 F4 N2 O4 Pb -","- C72 H32 F16 N8 O16 Pb4 -","4","1","","Ma, Jing-xin; Yang, Zhihua; Zhou, Tong; Guo, Qi; Yang, Jinhui; Yang, Tianlin; Yang, Qingfeng","Construction of structurally diverse luminescent lead(ii) fluorinated coordination polymers based on auxiliary ligands","New Journal of Chemistry","2018","42","18","15413","","10.1039/C8NJ02846J","","","0.71073","MoKα","","0.0379","0.0304","","","0.0612","0.0649","","","","","","1.015","","","","has coordinates","230485","2020-10-21","18:00:00",""
"7057625","9.211","0.002","15.947","0.004","27.262","0.007","90","","90","","90","","4004.5","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H14 F4 N2 O4 Pb -","- C21 H14 F4 N2 O4 Pb -","- C168 H112 F32 N16 O32 Pb8 -","8","1","","Ma, Jing-xin; Yang, Zhihua; Zhou, Tong; Guo, Qi; Yang, Jinhui; Yang, Tianlin; Yang, Qingfeng","Construction of structurally diverse luminescent lead(ii) fluorinated coordination polymers based on auxiliary ligands","New Journal of Chemistry","2018","42","18","15413","","10.1039/C8NJ02846J","","","0.71073","MoKα","","0.0478","0.0369","","","0.0807","0.0865","","","","","","1.065","","","","has coordinates,has disorder","230485","2020-10-21","18:00:00",""
"7057626","8.3379","0.0013","12.8358","0.0012","8.7757","0.0013","90","","103.116","0.01","90","","914.7","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H8 F4 N2 O4 Pb -","- C20 H8 F4 N2 O4 Pb -","- C40 H16 F8 N4 O8 Pb2 -","2","0.5","","Ma, Jing-xin; Yang, Zhihua; Zhou, Tong; Guo, Qi; Yang, Jinhui; Yang, Tianlin; Yang, Qingfeng","Construction of structurally diverse luminescent lead(ii) fluorinated coordination polymers based on auxiliary ligands","New Journal of Chemistry","2018","42","18","15413","","10.1039/C8NJ02846J","","","0.71073","MoKα","","0.0307","0.0271","","","0.0525","0.0541","","","","","","1.063","","","","has coordinates,has disorder","230485","2020-10-21","18:00:00",""
"7057627","7.722","0.002","8.4029","0.0019","12.016","0.003","93.629","0.003","103.75","0.009","106.323","0.011","719.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H F4 N O5 Pb -","- C13 H6 F4 N O5 Pb -","- C26 H12 F8 N2 O10 Pb2 -","2","1","","Ma, Jing-xin; Yang, Zhihua; Zhou, Tong; Guo, Qi; Yang, Jinhui; Yang, Tianlin; Yang, Qingfeng","Construction of structurally diverse luminescent lead(ii) fluorinated coordination polymers based on auxiliary ligands","New Journal of Chemistry","2018","42","18","15413","","10.1039/C8NJ02846J","","","0.71073","MoKα","","0.0552","0.0445","","","0.0885","0.0949","","","","","","1.073","","","","has coordinates","230485","2020-10-21","18:00:00",""
"7057628","7.3581","0.0006","11.8774","0.001","30.672","0.002","90.01","0.006","90.016","0.006","104.434","0.006","2596","0.4","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H29 N4 O6 S2 -","- C28 H26 N2 O6 S2 -","- C112 H104 N8 O24 S8 -","4","2","","Sepay, Nayim; Mallik, Sumitava; Saha, Pranab C.; Mallik, Asok K.","Design and synthesis of a new class of 2,4-thiazolidinedione based macrocycles suitable for Fe3+ sensing","New Journal of Chemistry","2018","42","18","15270","","10.1039/C8NJ01536H","","","0.71073","MoKα","","0.2942","0.0827","","","0.1666","0.2548","","","","","","0.831","","","","has coordinates","230474","2020-10-21","18:00:00",""
"7057629","22.663","0.004","10.1552","0.0007","9.713","0.0006","90","","90","","90","","2235.4","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H24 Cu N2 O6 S -","- C22 H24 Cu N2 O6 S -","- C88 H96 Cu4 N8 O24 S4 -","4","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","1.5418","CuKα","","0.0386","0.0318","","","0.0845","0.0867","","","","","","1.078","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057630","10.0829","0.0018","16.324","0.003","16.992","0.003","90","","97.003","0.003","90","","2775.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cu N4 O3 S -","- C34 H26 Cu N4 O3 S -","- C136 H104 Cu4 N16 O12 S4 -","4","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","0.71073","MoKα","","0.0575","0.0358","","","0.0781","0.0886","","","","","","1.06","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057631","5.754","0.002","9.595","0.003","19.723","0.007","90.663","0.006","91.571","0.006","100.876","0.006","1068.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cu N2 O6 S -","- C22 H24 Cu N2 O6 S -","- C44 H48 Cu2 N4 O12 S2 -","2","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","0.71073","MoKα","","0.0532","0.0344","","","0.0813","0.0919","","","","","","1.037","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057632","9.1259","0.0018","10.853","0.002","13.207","0.002","101.339","0.011","100.351","0.01","110.211","0.01","1159.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cu N3 O4 S -","- C27 H24 Cu N3 O4 S -","- C54 H48 Cu2 N6 O8 S2 -","2","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","0.71073","MoKα","","0.0925","0.0503","","","0.0999","0.1138","","","","","","1.001","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057633","24.6147","0.0017","12.9395","0.0008","21.9303","0.0015","90","","117.643","0.001","90","","6187.6","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 Cu N4 O4 S -","- C34 H28 Cu N4 O4 S -","- C272 H224 Cu8 N32 O32 S8 -","8","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","0.71073","MoKα","","0.1064","0.0455","","","0.0935","0.1054","","","","","","0.819","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057634","9.203","0.003","12.352","0.004","15.197","0.005","70.384","0.006","83.857","0.005","86.57","0.005","1617.4","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H30 Cu N5 O3 S -","- C39 H30 Cu N5 O3 S -","- C78 H60 Cu2 N10 O6 S2 -","2","1","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","0.71073","MoKα","","0.0517","0.0366","","","0.0844","0.0919","","","","","","1.039","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057635","9.278","0.016","11.646","0.013","39.24","0.06","90","","90","","90","","4240","11","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- C22 H23 N2 O5 S -","- C22 H23 N2 O5 S -","- C176 H184 N16 O40 S8 -","8","2","","Viqueira, Joaquín; Durán, María L.; García-Vázquez, José A.; Castro, Jesús; Platas-Iglesias, Carlos; Esteban-Gómez, David; Alzuet-Piña, Gloria; Moldes, Angeles; Nascimento, Otaciro R.","Modulating the DNA cleavage ability of copper(ii) Schiff bases through ternary complex formation","New Journal of Chemistry","2018","42","18","15170","","10.1039/C8NJ03292K","","","1.54184","CuKα","","0.1085","0.0781","","","0.2059","0.2863","","","","","","1.093","","","","has coordinates","230489","2020-10-21","18:00:00",""
"7057636","13.898","0.002","12.655","0.003","14.221","0.003","90","","90","","90","","2501.2","0.9","293","","293","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H23 N9 O5 S2 Zn -","- C20 H23 N9 O5 S2 Zn -","- C80 H92 N36 O20 S8 Zn4 -","4","1","","Boughougal, Amina; Cherchali, Fatma Zohra; Messai, Amel; Attik, Nina; Decoret, Dominique; Hologne, Maggy; Sanglar, Corinne; Pilet, Guillaume; Tommasino, Jean Bernard; Luneau, Dominique","New model of metalloantibiotic: synthesis, structure and biological activity of a zinc(ii) mononuclear complex carrying two enrofloxacin and sulfadiazine antibiotics","New Journal of Chemistry","2018","42","18","15346","","10.1039/C8NJ01774C","","","0.71069","MoKα","","0.0701","0.0469","","0.086","0.0611","0.066","","","","","","1.0607","","","","has coordinates","230486","2020-10-21","18:00:00",""
"7057637","12.6714","0.0006","14.1042","0.0007","15.0668","0.0007","68.569","0.005","81.395","0.004","77.993","0.004","2443.7","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H53 Cl F2 N10 O12 S Zn -","- C48 H53 Cl F2 N10 O12 S Zn -","- C96 H106 Cl2 F4 N20 O24 S2 Zn2 -","2","1","","Boughougal, Amina; Cherchali, Fatma Zohra; Messai, Amel; Attik, Nina; Decoret, Dominique; Hologne, Maggy; Sanglar, Corinne; Pilet, Guillaume; Tommasino, Jean Bernard; Luneau, Dominique","New model of metalloantibiotic: synthesis, structure and biological activity of a zinc(ii) mononuclear complex carrying two enrofloxacin and sulfadiazine antibiotics","New Journal of Chemistry","2018","42","18","15346","","10.1039/C8NJ01774C","","","0.71069","MoKα","","0.1241","0.11","","0.1012","0.0979","0.0938","","","","","","1.0228","","","","has coordinates","230486","2020-10-21","18:00:00",""
"7057638","7.1563","0.0006","8.0445","0.0005","9.1508","0.0008","94.831","0.006","90.917","0.007","91.361","0.006","524.7","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","- C12 H20 Cl6 Cu N4 O2 -","1","0.5","","Kersen, Ülo; Wojtczak, Andrzej; Bienko, Alina; Jezierska, Julia","The effects of protonated heterocyclic cations on the structural and magnetic properties of tetrachlorocuprate(ii) anions; X-ray, magnetochemical and EPR studies","New Journal of Chemistry","2018","42","19","15705","","10.1039/C8NJ03155J","","","0.71073","MoKα","","0.0483","0.0355","","","0.0902","0.0949","","","","","","1.083","","","","has coordinates","230335","2020-10-21","18:00:00",""
"7057639","14.5594","0.0006","14.5888","0.0005","5.9318","0.0003","90","","107.295","0.005","90","","1202.97","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl4 Cu N2 -","- C6 H16 Cl4 Cu N2 -","- C24 H64 Cl16 Cu4 N8 -","4","0.5","","Kersen, Ülo; Wojtczak, Andrzej; Bienko, Alina; Jezierska, Julia","The effects of protonated heterocyclic cations on the structural and magnetic properties of tetrachlorocuprate(ii) anions; X-ray, magnetochemical and EPR studies","New Journal of Chemistry","2018","42","19","15705","","10.1039/C8NJ03155J","","","0.71073","MoKα","","0.0279","0.0224","","","0.0621","0.0633","","","","","","1.064","","","","has coordinates","230335","2020-10-21","18:00:00",""
"7057640","9.935","0.006","20.797","0.012","17.5203","0.001","90","","90","","90","","3620","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 I N S -","- C22 H14 I N S -","- C176 H112 I8 N8 S8 -","8","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Kubota, Yasuhiro; Koketsu, Mamoru","Synthesis of thieno[2,3-c]acridine and furo[2,3-c]acridine derivatives via an iodocyclization reaction and their fluorescence properties and DFT mechanistic studies","New Journal of Chemistry","2018","42","18","15315","","10.1039/C8NJ03511C","","","0.71075","MoKα","","0.0744","0.0497","","","0.1489","0.1688","","","","","","1.045","","","","has coordinates","230482","2020-10-21","18:00:00",""
"7057641","9.3991","0.0006","10.5565","0.0008","14.6602","0.0011","84.592","0.002","87.086","0.002","70.214","0.001","1362.36","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H11 Br N O10 Ru3 -","- C22 H11 Br N O10 Ru3 -","- C44 H22 Br2 N2 O20 Ru6 -","2","1","","Hao, Zhiqiang; Yan, Xinlong; Liu, Kang; Yue, Xiaohui; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridine-alkoxide ligands: synthesis, characterization and catalytic application in dehydrogenative oxidation of alcohols","New Journal of Chemistry","2018","42","18","15472","","10.1039/C8NJ03706J","","","0.71073","MoKα","","0.0579","0.0365","","","0.0706","0.0776","","","","","","1.072","","","","has coordinates","230492","2020-10-21","18:00:00",""
"7057642","16.7385","0.001","10.0421","0.0006","15.8393","0.001","90","","116.369","0.001","90","","2385.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Br N O10 Ru3 -","- C19 H11 Br N O10 Ru3 -","- C76 H44 Br4 N4 O40 Ru12 -","4","1","","Hao, Zhiqiang; Yan, Xinlong; Liu, Kang; Yue, Xiaohui; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridine-alkoxide ligands: synthesis, characterization and catalytic application in dehydrogenative oxidation of alcohols","New Journal of Chemistry","2018","42","18","15472","","10.1039/C8NJ03706J","","","0.71073","MoKα","","0.0296","0.0267","","","0.0728","0.0753","","","","","","0.991","","","","has coordinates","230492","2020-10-21","18:00:00",""
"7057643","8.9466","0.0009","17.8612","0.0019","14.6199","0.0016","90","","96.403","0.002","90","","2321.6","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Br N O10 Ru3 -","- C17 H9 Br N O10 Ru3 -","- C68 H36 Br4 N4 O40 Ru12 -","4","1","","Hao, Zhiqiang; Yan, Xinlong; Liu, Kang; Yue, Xiaohui; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridine-alkoxide ligands: synthesis, characterization and catalytic application in dehydrogenative oxidation of alcohols","New Journal of Chemistry","2018","42","18","15472","","10.1039/C8NJ03706J","","","0.71073","MoKα","","0.0475","0.041","","","0.1176","0.1274","","","","","","1.022","","","","has coordinates","230492","2020-10-21","18:00:00",""
"7057644","16.1512","0.0014","10.1843","0.0009","30.492","0.003","90","","91.103","0.001","90","","5014.7","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Br N O10 Ru3 -","- C20 H13 Br N O10 Ru3 -","- C160 H104 Br8 N8 O80 Ru24 -","8","1","","Hao, Zhiqiang; Yan, Xinlong; Liu, Kang; Yue, Xiaohui; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridine-alkoxide ligands: synthesis, characterization and catalytic application in dehydrogenative oxidation of alcohols","New Journal of Chemistry","2018","42","18","15472","","10.1039/C8NJ03706J","","","0.71073","MoKα","","0.058","0.0472","","","0.1015","0.105","","","","","","1.157","","","","has coordinates","230492","2020-10-21","18:00:00",""
"7057645","7.8422","0.0003","8.7783","0.0003","9.4903","0.0003","90.286","0.002","104.15","0.002","97.796","0.002","627.15","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H16 Cl2 Cu N4 O4 -","- C30 H16 Cl2 Cu N4 O4 -","- C30 H16 Cl2 Cu N4 O4 -","1","0.5","","Qin, Qi-Pin; Zou, Bi-Qun; Tan, Ming-Xiong; Wang, Shu-Long; Liu, Yan-Cheng; Liang, Hong","Tryptanthrin derivative copper(ii) complexes with high antitumor activity by inhibiting telomerase activity, and inducing mitochondria-mediated apoptosis and S-phase arrest in BEL-7402","New Journal of Chemistry","2018","42","18","15479","","10.1039/C8NJ03005G","","","0.71073","MoKα","","0.0377","0.03","","","0.078","0.0824","","","","","","1.067","","","","has coordinates","230471","2020-10-21","18:00:00",""
"7057646","10.8609","0.0012","13.7631","0.0015","18.269","0.002","90","","97.096","0.005","90","","2709.9","0.5","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 Br2 Cl2 Cu N4 O4 -","- C30 H14 Br2 Cl2 Cu N4 O4 -","- C120 H56 Br8 Cl8 Cu4 N16 O16 -","4","1","","Qin, Qi-Pin; Zou, Bi-Qun; Tan, Ming-Xiong; Wang, Shu-Long; Liu, Yan-Cheng; Liang, Hong","Tryptanthrin derivative copper(ii) complexes with high antitumor activity by inhibiting telomerase activity, and inducing mitochondria-mediated apoptosis and S-phase arrest in BEL-7402","New Journal of Chemistry","2018","42","18","15479","","10.1039/C8NJ03005G","","","0.71073","MoKα","","0.178","0.0944","","","0.2623","0.3087","","","","","","1.041","","","","has coordinates","230471","2020-10-21","18:00:00",""
"7057647","10.0178","0.0003","22.8256","0.0007","10.171","0.0004","90","","96.887","0.003","90","","2308.94","0.14","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Dy N10 O15 -","- C11 H23 Dy N10 O15 -","- C44 H92 Dy4 N40 O60 -","4","1","","Sasnovskaya, Valentina D.; Kopotkov, Vyacheslav A.; Kazakova, Anna V.; Talantsev, Artem D.; Morgunov, Roman B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Mironov, Vladimir S.; Yagubskii, Eduard B.","Slow magnetic relaxation in mononuclear complexes of Tb, Dy, Ho and Er with the pentadentate (N3O2) Schiff-base dapsc ligand","New Journal of Chemistry","2018","42","18","14883","","10.1039/C8NJ01928B","","x-ray","0.71073","MoKα","","0.0334","0.0301","","","0.0621","0.0634","","","","","","1.005","","","","has coordinates,has disorder","230481","2020-10-21","18:00:00",""
"7057648","10.0189","0.0004","22.735","0.0008","10.1332","0.0004","90","","97.059","0.003","90","","2290.64","0.15","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Er N10 O15 -","- C11 H23 Er N10 O15 -","- C44 H92 Er4 N40 O60 -","4","1","","Sasnovskaya, Valentina D.; Kopotkov, Vyacheslav A.; Kazakova, Anna V.; Talantsev, Artem D.; Morgunov, Roman B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Mironov, Vladimir S.; Yagubskii, Eduard B.","Slow magnetic relaxation in mononuclear complexes of Tb, Dy, Ho and Er with the pentadentate (N3O2) Schiff-base dapsc ligand","New Journal of Chemistry","2018","42","18","14883","","10.1039/C8NJ01928B","","x-ray","0.71073","MoKα","","0.0469","0.0333","","","0.0638","0.0683","","","","","","1.001","","","","has coordinates,has disorder","230481","2020-10-21","18:00:00",""
"7057649","10.0392","0.0002","22.902","0.0005","10.1819","0.0002","90","","97.152","0.002","90","","2322.79","0.08","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 N10 O15 Tb -","- C11 H23 N10 O15 Tb -","- C44 H92 N40 O60 Tb4 -","4","1","","Sasnovskaya, Valentina D.; Kopotkov, Vyacheslav A.; Kazakova, Anna V.; Talantsev, Artem D.; Morgunov, Roman B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Mironov, Vladimir S.; Yagubskii, Eduard B.","Slow magnetic relaxation in mononuclear complexes of Tb, Dy, Ho and Er with the pentadentate (N3O2) Schiff-base dapsc ligand","New Journal of Chemistry","2018","42","18","14883","","10.1039/C8NJ01928B","","x-ray","0.71073","MoKα","","0.0393","0.0326","","","0.0617","0.0644","","","","","","1.001","","","","has coordinates,has disorder","230481","2020-10-21","18:00:00",""
"7057650","10.0247","0.0005","22.8162","0.0015","10.1581","0.0006","90","","96.903","0.005","90","","2306.6","0.2","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H23 Ho N10 O15 -","- C11 H23 Ho N10 O15 -","- C44 H92 Ho4 N40 O60 -","4","1","","Sasnovskaya, Valentina D.; Kopotkov, Vyacheslav A.; Kazakova, Anna V.; Talantsev, Artem D.; Morgunov, Roman B.; Simonov, Sergey V.; Zorina, Leokadiya V.; Mironov, Vladimir S.; Yagubskii, Eduard B.","Slow magnetic relaxation in mononuclear complexes of Tb, Dy, Ho and Er with the pentadentate (N3O2) Schiff-base dapsc ligand","New Journal of Chemistry","2018","42","18","14883","","10.1039/C8NJ01928B","","x-ray","0.71073","MoKα","","0.028","0.0241","","","0.0572","0.0588","","","","","","1.003","","","","has coordinates,has disorder","230481","2020-10-21","18:00:00",""
"7057651","13.7258","0.0006","16.6834","0.0009","22.5773","0.0012","90","","102.68","0.001","90","","5044","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 N14 Ni S6 -","- C38 H60 N14 Ni S6 -","- C152 H240 N56 Ni4 S24 -","4","1","","López Lago, Elena; Seijas, Julio A.; de Pedro, Imanol; Rodríguez Fernández, Jesús; Vázquez-Tato, M. Pilar; González, Jesús Antonio; Rilo, Esther; Segade, Luisa; Cabeza, Oscar; Rodríguez Fernández, Carlos Damián; Arosa, Yago; Algnamat, Bilal S.; Varela, Luis M.; Troncoso, Jacobo; de la Fuente, Raúl","Structural and physical properties of a new reversible and continuous thermochromic ionic liquid in a wide temperature interval: [BMIM]4[Ni(NCS)6]","New Journal of Chemistry","2018","42","19","15561","","10.1039/C8NJ03294G","","x-ray","0.7107","MoKα","","0.0964","0.0444","","","0.0753","0.091","","","","","","1.004","","","","has coordinates,has disorder","230324","2020-10-21","18:00:00",""
"7057652","13.772","0.0007","16.9007","0.0007","22.9222","0.001","90","","103.417","0.002","90","","5189.7","0.4","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 N14 Ni S6 -","- C38 H60 N14 Ni S6 -","- C152 H240 N56 Ni4 S24 -","4","1","","López Lago, Elena; Seijas, Julio A.; de Pedro, Imanol; Rodríguez Fernández, Jesús; Vázquez-Tato, M. Pilar; González, Jesús Antonio; Rilo, Esther; Segade, Luisa; Cabeza, Oscar; Rodríguez Fernández, Carlos Damián; Arosa, Yago; Algnamat, Bilal S.; Varela, Luis M.; Troncoso, Jacobo; de la Fuente, Raúl","Structural and physical properties of a new reversible and continuous thermochromic ionic liquid in a wide temperature interval: [BMIM]4[Ni(NCS)6]","New Journal of Chemistry","2018","42","19","15561","","10.1039/C8NJ03294G","","x-ray","0.71073","MoKα","","0.1375","0.0562","","","0.123","0.1559","","","","","","1.023","","","","has coordinates,has disorder","230324","2020-10-21","18:00:00",""
"7057653","13.8117","0.0012","16.9565","0.0013","23.0805","0.0018","90","","103.607","0.004","90","","5253.7","0.7","320","2","320","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 N14 Ni S6 -","- C38 H60 N14 Ni S6 -","- C152 H240 N56 Ni4 S24 -","4","1","","López Lago, Elena; Seijas, Julio A.; de Pedro, Imanol; Rodríguez Fernández, Jesús; Vázquez-Tato, M. Pilar; González, Jesús Antonio; Rilo, Esther; Segade, Luisa; Cabeza, Oscar; Rodríguez Fernández, Carlos Damián; Arosa, Yago; Algnamat, Bilal S.; Varela, Luis M.; Troncoso, Jacobo; de la Fuente, Raúl","Structural and physical properties of a new reversible and continuous thermochromic ionic liquid in a wide temperature interval: [BMIM]4[Ni(NCS)6]","New Journal of Chemistry","2018","42","19","15561","","10.1039/C8NJ03294G","","x-ray","0.71073","MoKα","","0.1667","0.0582","","","0.1221","0.1644","","","","","","0.988","","","","has coordinates,has disorder","230324","2020-10-21","18:00:00",""
"7057654","15.239","0.016","7.25","0.007","18.806","0.019","90","","96.75","0.11","90","","2063","4","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","CV","","- C16 H28 N2 O10 -","- C16 H28 N2 O10 -","- C64 H112 N8 O40 -","4","0.5","","Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","Improving coloration time and moisture stability of photochromic viologen‒carboxylate zwitterions","New Journal of Chemistry","2018","42","18","15466","","10.1039/C8NJ02326C","","","0.71073","MoKα","","0.125","0.0659","","","0.1606","0.1832","","","","","","0.854","","","","has coordinates","230479","2020-10-21","18:00:00",""
"7057655","6.7262","0.0019","12.841","0.004","12.304","0.004","90","","94.395","0.005","90","","1059.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl2 N O2 Zn -","- C8 H8 Cl2 N O2 Zn -","- C32 H32 Cl8 N4 O8 Zn4 -","4","1","","Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","Improving coloration time and moisture stability of photochromic viologen‒carboxylate zwitterions","New Journal of Chemistry","2018","42","18","15466","","10.1039/C8NJ02326C","","","0.71073","MoKα","","0.0482","0.0302","","","0.0648","0.0706","","","","","","1.027","","","","has coordinates","230479","2020-10-21","18:00:00",""
"7057656","12.6601","0.0015","16.2779","0.0014","22.668","0.003","90","","90","","90","","4671.4","0.9","150","2","150","2","","","","","","","","9","P c 21 b","P -2bc -2c","29","","","","- C40 H40 Cl2 Cu2 Hg N6 Na2 O8 S2 -","- C40 H40 Cl2 Cu2 Hg N6 Na2 O8 S2 -","- C160 H160 Cl8 Cu8 Hg4 N24 Na8 O32 S8 -","4","1","","Roy, Sourav; Halder, Soumi; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik","Unprecedented photosensitivity of heterotrimetallic copper(ii)/sodium/mercury(ii) coordination polymer based thin film semiconductor device","New Journal of Chemistry","2018","42","18","15295","","10.1039/C8NJ02261E","","","0.71073","MoKα","","0.1794","0.0848","","","0.194","0.2351","","","","","","0.963","","","","has coordinates,has disorder","230472","2020-10-21","18:00:00",""
"7057657","8.903","0.005","9.681","0.005","16.055","0.005","104.731","0.005","95.807","0.005","102.598","0.005","1288","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Br2 N3 Pd S -","- C27 H21 Br2 N3 Pd S -","- C54 H42 Br4 N6 Pd2 S2 -","2","1","","Karthik, Shanmugam; Gandhi, Thirumanavelan","Dibenzofuran and dibenzothiophene based palladium(ii)/NHC catalysts ‒ synthesis and applications in C‒C bond formation","New Journal of Chemistry","2018","42","19","15811","","10.1039/C8NJ02989J","","","0.71073","MoKα","","0.0743","0.0375","","","0.0694","0.0804","","","","","","1.032","","","","has coordinates","230320","2020-10-21","18:00:00",""
"7057658","9.3417","0.0007","9.4841","0.0009","22.2977","0.0018","90","","90.72","0.003","90","","1975.4","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N3 O2 -","- C26 H17 N3 O2 -","- C104 H68 N12 O8 -","4","1","","Idris, Imane; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Quinoxaline as an integrated directing group in palladium-catalyzed ortho-C‒H bond arylation of the aryl unit of 2-arylquinoxalines","New Journal of Chemistry","2018","42","19","16036","","10.1039/C8NJ02713G","","x-ray","0.71073","MoKα","","0.047","0.0413","","","0.106","0.1117","","","","","","1.067","","","","has coordinates","230337","2020-10-21","18:00:00",""
"7057659","11.465","0.003","15.353","0.004","16.17","0.005","103.382","0.003","90.662","0.003","106.684","0.003","2643.1","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H42 F15 I N5 O -","- C56 H42 F15 I N5 O -","- C112 H84 F30 I2 N10 O2 -","2","1","","Intrieri, Daniela; Damiano, Caterina; Rizzato, Silvia; Paolesse, Roberto; Venanzi, Mariano; Monti, Donato; Savioli, Marco; Stefanelli, Manuela; Gallo, Emma","Sensing of diclofenac by a porphyrin-based artificial receptor","New Journal of Chemistry","2018","42","19","15778","","10.1039/C8NJ02737D","","x-ray","0.71073","MoKα","","0.0855","0.058","","","0.1461","0.1719","","","","","","1.039","","","","has coordinates,has disorder","230330","2020-10-21","18:00:00",""
"7057660","9.5429","0.0004","11.9046","0.0006","17.3544","0.001","90","","96.285","0.005","90","","1959.69","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl3 Cu N6 O6 -","- C13 H11 Cl3 Cu N6 O6 -","- C52 H44 Cl12 Cu4 N24 O24 -","4","1","","Rad-Yousefnia, Negar; Shaabani, Behrouz; Zahedi, Mansoureh; Kubicki, Maciej; Aygün, Muhittin; Lloret, Francesc; Julve, Miguel; Grześkiewicz, Anita M.; Zakerhamidi, Mohammad Sadegh; Kazak, Canan","Cd(ii) and Cu(ii) coordination polymers constructed from the expanded 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene ligand: conventional and ultrasound-assisted synthesis, crystal structure, luminescence and magnetic properties","New Journal of Chemistry","2018","42","19","15860","","10.1039/C8NJ02605J","","x-ray","0.71073","MoKα","","0.0775","0.0466","","","0.0944","0.105","","","","","","0.967","","","","has coordinates","230332","2020-10-21","18:00:00",""
"7057661","5.6469","0.0006","10.3807","0.0008","30.356","0.004","90","","94.598","0.01","90","","1773.7","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cd N4 O6 S -","- C12 H14 Cd N4 O6 S -","- C48 H56 Cd4 N16 O24 S4 -","4","1","","Rad-Yousefnia, Negar; Shaabani, Behrouz; Zahedi, Mansoureh; Kubicki, Maciej; Aygün, Muhittin; Lloret, Francesc; Julve, Miguel; Grześkiewicz, Anita M.; Zakerhamidi, Mohammad Sadegh; Kazak, Canan","Cd(ii) and Cu(ii) coordination polymers constructed from the expanded 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene ligand: conventional and ultrasound-assisted synthesis, crystal structure, luminescence and magnetic properties","New Journal of Chemistry","2018","42","19","15860","","10.1039/C8NJ02605J","","x-ray","0.71073","MoKα","","0.0708","0.063","","","0.1517","0.1555","","","","","","1.122","","","","has coordinates,has disorder","230332","2020-10-21","18:00:00",""
"7057662","9.4802","0.0003","11.9554","0.0006","16.3894","0.001","90","","92.085","0.004","90","","1856.34","0.16","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 Cu N6 O6 -","- C13 H12 Cl2 Cu N6 O6 -","- C52 H48 Cl8 Cu4 N24 O24 -","4","1","","Rad-Yousefnia, Negar; Shaabani, Behrouz; Zahedi, Mansoureh; Kubicki, Maciej; Aygün, Muhittin; Lloret, Francesc; Julve, Miguel; Grześkiewicz, Anita M.; Zakerhamidi, Mohammad Sadegh; Kazak, Canan","Cd(ii) and Cu(ii) coordination polymers constructed from the expanded 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene ligand: conventional and ultrasound-assisted synthesis, crystal structure, luminescence and magnetic properties","New Journal of Chemistry","2018","42","19","15860","","10.1039/C8NJ02605J","","x-ray","0.71073","MoKα","","0.0552","0.0426","","","0.1062","0.1133","","","","","","1.037","","","","has coordinates","230332","2020-10-21","18:00:00",""
"7057663","11.371","0.002","12.013","0.002","13.163","0.002","110.74","0.006","104.322","0.006","105.686","0.007","1496.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cu2 I2 N8 S2 -","- C26 H22 Cu2 I2 N8 S2 -","- C52 H44 Cu4 I4 N16 S4 -","2","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Kaur, Jaskamal; Bala, Ritu; Hundal, Geeta; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures, antimicrobial activity and biosafety evaluation of pyridine-2-formaldehyde-N-susbtituted-thiosemicarbazonates of copper(ii)","New Journal of Chemistry","2018","42","19","15879","","10.1039/C8NJ03619E","","","0.71073","MoKα","","0.0695","0.0423","","","0.0957","0.1072","","","","","","1.064","","","","has coordinates","230331","2020-10-21","18:00:00",""
"7057664","14.484","0.002","17.112","0.004","10.824","0.005","90","","110.919","0.004","90","","2505.9","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cu2 I2 N8 S2 -","- C18 H22 Cu2 I2 N8 S2 -","- C72 H88 Cu8 I8 N32 S8 -","4","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Kaur, Jaskamal; Bala, Ritu; Hundal, Geeta; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures, antimicrobial activity and biosafety evaluation of pyridine-2-formaldehyde-N-susbtituted-thiosemicarbazonates of copper(ii)","New Journal of Chemistry","2018","42","19","15879","","10.1039/C8NJ03619E","","","0.71073","MoKα","","0.0239","0.0216","","","0.0546","0.056","","","","","","1.02","","","","has coordinates","230331","2020-10-21","18:00:00",""
"7057665","8.5331","0.0007","9.4698","0.0007","9.511","0.0007","96.619","0.006","98.51","0.006","102.123","0.007","734.58","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl Cu N5 S -","- C11 H14 Cl Cu N5 S -","- C22 H28 Cl2 Cu2 N10 S2 -","2","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Kaur, Jaskamal; Bala, Ritu; Hundal, Geeta; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures, antimicrobial activity and biosafety evaluation of pyridine-2-formaldehyde-N-susbtituted-thiosemicarbazonates of copper(ii)","New Journal of Chemistry","2018","42","19","15879","","10.1039/C8NJ03619E","","x-ray","1.54184","CuKα","","0.0546","0.0468","","","0.1164","0.1248","","","","","","1.059","","","","has coordinates","230331","2020-10-21","18:00:00",""
"7057666","14.1753","0.0007","17.1735","0.0006","10.5732","0.0004","90","","111.788","0.005","90","","2390.06","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 Cu2 N8 S2 -","- C18 H22 Br2 Cu2 N8 S2 -","- C72 H88 Br8 Cu8 N32 S8 -","4","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Kaur, Jaskamal; Bala, Ritu; Hundal, Geeta; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures, antimicrobial activity and biosafety evaluation of pyridine-2-formaldehyde-N-susbtituted-thiosemicarbazonates of copper(ii)","New Journal of Chemistry","2018","42","19","15879","","10.1039/C8NJ03619E","","","0.71073","MoKα","","0.1312","0.0613","","","0.0987","0.1231","","","","","","1.034","","","","has coordinates","230331","2020-10-21","18:00:00",""
"7057667","11.1903","0.0005","11.6509","0.0006","12.8056","0.0007","109.996","0.005","105.367","0.004","104.566","0.004","1400.85","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br2 Cu2 N8 S2 -","- C26 H22 Br2 Cu2 N8 S2 -","- C52 H44 Br4 Cu4 N16 S4 -","2","1","","Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Kaur, Jaskamal; Bala, Ritu; Hundal, Geeta; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.","Synthesis, structures, antimicrobial activity and biosafety evaluation of pyridine-2-formaldehyde-N-susbtituted-thiosemicarbazonates of copper(ii)","New Journal of Chemistry","2018","42","19","15879","","10.1039/C8NJ03619E","","","0.71073","MoKα","","0.064","0.0378","","","0.0713","0.081","","","","","","1.004","","","","has coordinates","230331","2020-10-21","18:00:00",""
"7057668","6.5125","0.0001","5.9722","0.0001","12.1029","0.0001","90","","95.656","0.001","90","","468.438","0.011","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C20 H24 N4 O4 -","2","1","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.041","0.0403","","","0.102","0.1024","","","","","","1.09","","","","has coordinates","230321","2020-10-21","18:00:00",""
"7057669","17.4802","0.0001","11.8861","0.0001","19.0909","0.0002","90","","110.406","0.001","90","","3717.62","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 B N4 Na O4 -","- C44 H44 B N4 Na O4 -","- C176 H176 B4 N16 Na4 O16 -","4","0.5","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.0387","0.037","","","0.0981","0.0993","","","","","","1.042","","","","has coordinates","230321","2020-10-21","18:00:00",""
"7057670","17.4616","0.0003","11.9083","0.0001","20.914","0.0003","90","","121.268","0.002","90","","3717.14","0.12","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 B N4 Na O4 -","- C44 H44 B N4 Na O4 -","- C176 H176 B4 N16 Na4 O16 -","4","0.5","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.0401","0.0374","","","0.097","0.0989","","","","","","1.049","","","","has coordinates","230321","2020-10-21","18:00:00",""
"7057671","15.2728","0.0002","10.3419","0.0001","30.0963","0.0003","90","","98.513","0.001","90","","4701.33","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H112 B2 N12 Na2 O12 -","- C108 H112 B2 N12 Na2 O12 -","- C216 H224 B4 N24 Na4 O24 -","2","0.5","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.0525","0.0451","","","0.1158","0.1201","","","","","","1.048","","","","has coordinates,has disorder","230321","2020-10-21","18:00:00",""
"7057672","14.8036","0.0003","10.3215","0.0002","28.7105","0.0006","90","","91.843","0.002","90","","4384.56","0.15","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C96 H100 B2 N12 Na2 O8 -","- C96 H100 B2 N12 Na2 O8 -","- C192 H200 B4 N24 Na4 O16 -","2","1","","Roy, Ankana; Das, Partha Jyoti; Diskin-Posner, Yael; Firer, Michael; Grynszpan, Flavio; Montag, Michael","Quenching of syn-bimane fluorescence by Na+ complexation","New Journal of Chemistry","2018","42","19","15541","","10.1039/C8NJ01945B","","","1.54184","CuKα","","0.074","0.0559","","","0.1354","0.1461","","","","","","1.025","","","","has coordinates,has disorder","230321","2020-10-21","18:00:00",""
"7057673","11.641","0.002","12.631","0.003","16.471","0.004","90","","110.392","0.002","90","","2270.1","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 Gd2 N4 O16 Zn2 -","- C34 H52 Cl2 Gd2 N4 O16 Zn2 -","- C68 H104 Cl4 Gd4 N8 O32 Zn4 -","2","0.5","","Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features","New Journal of Chemistry","2018","42","19","15917","","10.1039/C8NJ02532K","","","0.71073","MoKα","","0.0594","0.0352","","","0.0673","0.0767","","","","","","0.966","","","","has coordinates","230325","2020-10-21","18:00:00",""
"7057674","11.6443","0.0018","12.6159","0.0019","16.488","0.003","90","","110.392","0.005","90","","2270.3","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 N4 O16 Tb2 Zn2 -","- C34 H52 Cl2 N4 O16 Tb2 Zn2 -","- C68 H104 Cl4 N8 O32 Tb4 Zn4 -","2","0.5","","Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features","New Journal of Chemistry","2018","42","19","15917","","10.1039/C8NJ02532K","","","0.71073","MoKα","","0.0408","0.0303","","","0.075","0.0833","","","","","","0.938","","","","has coordinates","230325","2020-10-21","18:00:00",""
"7057675","11.0273","0.001","18.7816","0.0014","12.2884","0.001","90","","97.628","0.004","90","","2522.5","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 Cl2 Er2 N4 O20 Zn2 -","- C36 H60 Cl2 Er2 N4 O20 Zn2 -","- C72 H120 Cl4 Er4 N8 O40 Zn4 -","2","0.5","","Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features","New Journal of Chemistry","2018","42","19","15917","","10.1039/C8NJ02532K","","","0.71073","MoKα","","0.047","0.0348","","","0.0861","0.0928","","","","","","1.04","","","","has coordinates","230325","2020-10-21","18:00:00",""
"7057676","11.5941","0.0006","12.5761","0.0006","16.4918","0.0008","90","","110.224","0.002","90","","2256.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 Ho2 N4 O16 Zn2 -","- C34 H52 Cl2 Ho2 N4 O16 Zn2 -","- C68 H104 Cl4 Ho4 N8 O32 Zn4 -","2","0.5","","Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features","New Journal of Chemistry","2018","42","19","15917","","10.1039/C8NJ02532K","","","0.71073","MoKα","","0.0429","0.0358","","","0.0908","0.0969","","","","","","1.013","","","","has coordinates","230325","2020-10-21","18:00:00",""
"7057677","11.6258","0.0007","12.5857","0.0008","16.4964","0.001","90","","110.323","0.002","90","","2263.5","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 Dy2 N4 O16 Zn2 -","- C34 H52 Cl2 Dy2 N4 O16 Zn2 -","- C68 H104 Cl4 Dy4 N8 O32 Zn4 -","2","0.5","","Ghosh, Sagar; Hari, Nairita; Pinkowicz, Dawid; Fitta, Magdalena; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of a series of ZnII2LnIII2 compounds (Ln = Gd, Tb, Dy, Ho and Er): contrasting structural and magnetic features","New Journal of Chemistry","2018","42","19","15917","","10.1039/C8NJ02532K","","","0.71073","MoKα","","0.0464","0.0343","","","0.0828","0.09","","","","","","1.021","","","","has coordinates","230325","2020-10-21","18:00:00",""
"7057678","8.0774","0.0006","9.3329","0.0007","10.9899","0.0008","96.638","0.003","108.728","0.003","107.974","0.004","724.82","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H32 N18 O4 Pd S4 -","- C14 H32 N18 O4 Pd S4 -","- C14 H32 N18 O4 Pd S4 -","1","0.5","","Zhao, Gang; He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Improving the density and properties of nitrogen-rich scaffolds by the introduction of a C‒NO2 group","New Journal of Chemistry","2018","42","19","16162","","10.1039/C8NJ03472A","","","1.54178","CuKα","","0.0584","0.0531","","","0.1272","0.1337","","","","","","1.084","","","","has coordinates","230323","2020-10-21","18:00:00",""
"7057679","8.361","0.0011","15.124","0.002","6.2921","0.0008","90","","90","","90","","795.65","0.18","150","2","150","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C3 H4 N9 Na O3 -","- C3 H4 N9 Na O3 -","- C12 H16 N36 Na4 O12 -","4","0.5","","Zhao, Gang; He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Improving the density and properties of nitrogen-rich scaffolds by the introduction of a C‒NO2 group","New Journal of Chemistry","2018","42","19","16162","","10.1039/C8NJ03472A","","","0.71073","MoKα","","0.0557","0.0346","","","0.0828","0.0913","","","","","","1.064","","","","has coordinates","230323","2020-10-21","18:00:00",""
"7057680","6.1091","0.0003","8.281","0.0006","11.0256","0.0007","74.836","0.006","87.904","0.005","88.263","0.005","537.87","0.06","120","0.1","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C20 H24 N4 O8 -","2","1","","Castells-Gil, Javier; Padial, Natalia M.; Martí-Gastaldo, Carlos","Structural reorganization in a hydrogen-bonded organic framework","New Journal of Chemistry","2018","42","19","16138","","10.1039/C8NJ02738B","","","0.71073","MoKα","","0.0556","0.0424","","","0.1012","0.1102","","","","","","1.056","","","","has coordinates","230333","2020-10-21","18:00:00",""
"7057681","16.8679","0.0006","18.4531","0.0007","7.079","0.0003","90","","94.738","0.004","90","","2195.92","0.15","150","0.1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N8 O10 -","- C18 H24 N8 O10 -","- C72 H96 N32 O40 -","4","1","","Castells-Gil, Javier; Padial, Natalia M.; Martí-Gastaldo, Carlos","Structural reorganization in a hydrogen-bonded organic framework","New Journal of Chemistry","2018","42","19","16138","","10.1039/C8NJ02738B","","","1.54184","CuKα","","0.0956","0.0922","","","0.2853","0.289","","","","","","1.087","","","","has coordinates","230333","2020-10-21","18:00:00",""
"7057682","14.77","0.008","15.31","0.008","18.022","0.012","113.5","0.018","114.072","0.012","90.059","0.014","3346","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O8 Zn -","- C37 H28 N2 O8 Zn -","- C148 H112 N8 O32 Zn4 -","4","2","","Dey, Sunanda; Purkait, Rakesh; Patra, Chiranjit; Saha, Moumita; Mondal, Sanchaita; Das Saha, Krishna; Sinha, Chittaranjan","Highly selective and sensitive recognition of Zn(ii) by a novel coumarinyl scaffold following spectrofluorometric technique and its application in living cells","New Journal of Chemistry","2018","42","19","16297","","10.1039/C8NJ03597K","","","0.71073","MoKα","","0.3186","0.1294","","","0.2937","0.4109","","","","","","0.913","","","","has coordinates","230327","2020-10-21","18:00:00",""
"7057683","9.6709","0.0008","11.1945","0.001","20.3066","0.0018","74.906","0.003","77.136","0.003","70.876","0.003","1982.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H47 Co N9 O12.5 -","- C36 H44 Co N9 O12.5 -","- C72 H88 Co2 N18 O25 -","2","1","","Banerjee, Saikat; Patra, Roumi; Ghorai, Pravat; Brandão, Paula; Chowdhury, Sougata Ghosh; Karmakar, Parimal; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands","New Journal of Chemistry","2018","42","20","16571","","10.1039/C8NJ02235F","","","0.71073","MoKα","","0.0818","0.0509","","","0.1236","0.137","","","","","","1.04","","","","has coordinates","230364","2020-10-21","18:00:00",""
"7057684","10.2354","0.0009","25.781","0.003","10.4573","0.001","90","","118.955","0.003","90","","2414.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl Co N8 O10 -","- C42 H56 Cl Co N8 O10 -","- C84 H112 Cl2 Co2 N16 O20 -","2","0.5","","Banerjee, Saikat; Patra, Roumi; Ghorai, Pravat; Brandão, Paula; Chowdhury, Sougata Ghosh; Karmakar, Parimal; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands","New Journal of Chemistry","2018","42","20","16571","","10.1039/C8NJ02235F","","","0.71073","MoKα","","0.0769","0.0677","","","0.1831","0.1901","","","","","","1.085","","","","has coordinates,has disorder","230364","2020-10-21","18:00:00",""
"7057685","9.542","0.0005","11.3017","0.0006","19.662","0.001","77.892","0.002","80.607","0.002","70.374","0.002","1942.83","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Co N9 O8 S -","- C37 H42 Co N9 O8 S -","- C74 H84 Co2 N18 O16 S2 -","2","1","","Banerjee, Saikat; Patra, Roumi; Ghorai, Pravat; Brandão, Paula; Chowdhury, Sougata Ghosh; Karmakar, Parimal; Saha, Amrita","Syntheses, crystal structures, DNA binding, DNA cleavage and DFT study of Co(iii) complexes involving azo-appended Schiff base ligands","New Journal of Chemistry","2018","42","20","16571","","10.1039/C8NJ02235F","","","0.71073","MoKα","","0.0937","0.0651","","","0.1877","0.2062","","","","","","1.066","","","","has coordinates,has disorder","230364","2020-10-21","18:00:00",""
"7057686","11.5919","0.0002","29.7642","0.0005","12.0184","0.0002","90","","105.714","0.002","90","","3991.65","0.12","130","2","130","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C37.7 H43.4 Cl5.4 N2 O V -","- C37.7 H43.4 Cl5.4 N2 O V -","- C150.8 H173.6 Cl21.6 N8 O4 V4 -","4","2","","Fomenko, Iakov S.; Gushchin, Artem L.; Shul’pina, Lidia S.; Ikonnikov, Nikolay S.; Abramov, Pavel A.; Romashev, Nikolay F.; Poryvaev, Artem S.; Sheveleva, Alena M.; Bogomyakov, Artem S.; Shmelev, Nikita Y.; Fedin, Matvey V.; Shul’pin, Georgiy B.; Sokolov, Maxim N.","New oxidovanadium(iv) complex with a BIAN ligand: synthesis, structure, redox properties and catalytic activity","New Journal of Chemistry","2018","42","19","16200","","10.1039/C8NJ03358G","","x-ray","0.71073","MoKα","","0.0889","0.0715","","","0.2104","0.2307","","","","","","1.052","","","","has coordinates","230334","2020-10-21","18:00:00",""
"7057687","13.4397","0.0017","21.954","0.003","29.009","0.004","90","","90","","90","","8559","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C200 H216 Cl16 N48 Ni4 O16 Ru8 -","4","1","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0737","0.0392","","","0.0654","0.0709","","","","","","1.04","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057688","12.985","0.005","21.513","0.008","27.216","0.01","90","","90","","90","","7603","5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C200 H216 Cl16 N48 Ni4 O16 Ru8 -","4","1","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0835","0.0765","","","0.1919","0.1955","","","","","","1.067","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057689","13.8448","0.0014","18.4145","0.0018","20.354","0.002","63.131","0.002","85.456","0.002","76.817","0.002","4505.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C152 H128 Br8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0756","0.0491","","","0.1007","0.1081","","","","","","1.084","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057690","13.9485","0.0014","18.4741","0.0018","20.255","0.002","63.329","0.002","85.942","0.002","77.442","0.002","4550.3","0.8","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C76 H64 Br4 Mn2 N12 O8 Ru2 -","- C152 H128 Br8 Mn4 N24 O16 Ru4 -","2","2","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.1001","0.053","","","0.0963","0.1067","","","","","","1.083","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057691","11.184","0.005","14.349","0.005","16.169","0.005","89.715","0.005","88.414","0.005","74.499","0.005","2499.4","1.6","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H60 Co2 Mo16 N12 Na2 O58 -","- C72 H60 Co2 Mo16 N12 Na2 O58 -","- C72 H60 Co2 Mo16 N12 Na2 O58 -","1","0.5","","Xu, Li; Wang, Zhifang; Lu, Ying; Yan, Tingting; Tian, Hongrui; Li, Xiaohui; Wang, Shuang; Sun, Xiuwei; Zhang, Zhong; Dang, Tianyi; Liu, Shuxia","Synthesis and proton conductivity of two novel molybdate polymers","New Journal of Chemistry","2018","42","20","16516","","10.1039/C8NJ03781G","","","0.71069","MoKα","","0.053","0.033","","","0.0685","0.0752","","","","","","1.013","","","","has coordinates","230357","2020-10-21","18:00:00",""
"7057692","7.9489","0.0008","10.7707","0.0011","11.6957","0.0013","66.263","0.001","83.398","0.002","86.412","0.002","910.4","0.17","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H20 Mo4 N2 O16 -","- C6 H20 Mo4 N2 O16 -","- C12 H40 Mo8 N4 O32 -","2","1","","Xu, Li; Wang, Zhifang; Lu, Ying; Yan, Tingting; Tian, Hongrui; Li, Xiaohui; Wang, Shuang; Sun, Xiuwei; Zhang, Zhong; Dang, Tianyi; Liu, Shuxia","Synthesis and proton conductivity of two novel molybdate polymers","New Journal of Chemistry","2018","42","20","16516","","10.1039/C8NJ03781G","","","0.71073","MoKα","","0.0257","0.0212","","","0.0518","0.0533","","","","","","1.063","","","","has coordinates","230357","2020-10-21","18:00:00",""
"7057693","20.9267","0.0005","14.4964","0.0003","26.1402","0.0007","90","","90","","90","","7929.9","0.3","180","","180","","","","101","","","","","3","P c a 21","P 2c -2ac","29","","","","- C45 H58 O5 -","- C45.0015 H58.0035 O5 -","- C360.012 H464.028 O40 -","8","2","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.54178","CuKα","","0.0845","0.0819","","0.1907","0.1896","0.1906","","","","","","0.9973","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7057694","11.9163","0.0003","12.3039","0.0003","13.9877","0.0003","94.268","0.0007","103.037","0.0006","100.698","0.0006","1948.71","0.08","180","","180","","","","101","","","","","3","P -1","-P 1","2","","","","- C47 H52 O4 -","- C47 H52 O4 -","- C94 H104 O8 -","2","1","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.54178","CuKα","","0.0381","0.0374","","0.0886","0.0885","0.0886","","","","","","0.9999","","","","has coordinates","230354","2020-10-21","18:00:00",""
"7057695","21.9174","0.0004","18.1166","0.0004","18.3273","0.0004","90","","104.576","0.0009","90","","7043","0.3","180","","180","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O4 -","- C42 H50 O4 -","- C336 H400 O32 -","8","2","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.54178","CuKα","","0.0646","0.0549","","0.1196","0.1135","0.1196","","","","","","0.9176","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7057696","40.2679","0.0007","40.2679","0.0007","13.0215","0.0002","90","","90","","120","","18285.6","0.5","180","","180","","","","101","","","","","3","R -3 :H","-R 3","148","","","","- C47 H52 O4 -","- C47 H52 O4 -","- C846 H936 O72 -","18","1","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.5418","CuKα","","0.0584","0.0545","","0.1373","0.1334","0.1372","","","","","","0.9828","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7057697","11.8255","0.0002","26.0677","0.0006","12.7656","0.0003","90","","95.1043","0.0007","90","","3919.56","0.15","180","","180","","","","101","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 O5 -","- C45 H58 O5 -","- C180 H232 O20 -","4","1","","Slavík, P.; Eigner, V.; Lhoták, P.","meta-Bridged calix[4]arenes with the methylene moiety possessing in/out stereochemistry of substituents","New Journal of Chemistry","2018","42","20","16646","","10.1039/C8NJ02577K","","","1.54178","CuKα","","0.048","0.0465","","0.114","0.1125","0.1139","","","","","","0.9794","","","","has coordinates,has disorder","230354","2020-10-21","18:00:00",""
"7057698","12.574","0.003","17.674","0.003","13.177","0.003","90","","94.844","0.008","90","","2917.9","1.1","113","2","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Dy F3 N4 O7 S -","- C26 H24 Dy F3 N4 O7 S -","- C104 H96 Dy4 F12 N16 O28 S4 -","4","1","","Wu, Dong-Fang; Shen, Hai-Yun; Chu, Xiao-Ya; Chang, Wen-Ju; Zhao, Li-Hua; Duan, Yao-Yao; Chen, Huan-Huan; Cui, Jian-Zhong; Gao, Hong-Ling","Modulating the magnetization dynamics of four phenoxo-O bridged Dy2 complexes based on a Schiff base derived from 8-hydroxyquinoline","New Journal of Chemistry","2018","42","20","16836","","10.1039/C8NJ02888E","","","0.71073","MoKα","","0.0244","0.0234","","","0.0531","0.0536","","","","","","1.077","","","","has coordinates","230356","2020-10-21","18:00:00",""
"7057699","12.381","0.002","15.996","0.003","21.933","0.004","90","","90.001","0.004","90","","4343.8","1.3","113.15","","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Dy2 N8 O10 -","- C42 H38 Dy2 N8 O10 -","- C168 H152 Dy8 N32 O40 -","4","0.5","","Wu, Dong-Fang; Shen, Hai-Yun; Chu, Xiao-Ya; Chang, Wen-Ju; Zhao, Li-Hua; Duan, Yao-Yao; Chen, Huan-Huan; Cui, Jian-Zhong; Gao, Hong-Ling","Modulating the magnetization dynamics of four phenoxo-O bridged Dy2 complexes based on a Schiff base derived from 8-hydroxyquinoline","New Journal of Chemistry","2018","42","20","16836","","10.1039/C8NJ02888E","","","0.71073","MoKα","","0.0363","0.0304","","","0.069","0.0706","","","","","","1.165","","","","has coordinates","230356","2020-10-21","18:00:00",""
"7057700","12.476","0.003","17.978","0.004","13.392","0.003","90","","90.77","0.03","90","","3003.5","1.2","113","2","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Dy F3 N4 O7 -","- C28 H26 Dy F3 N4 O7 -","- C112 H104 Dy4 F12 N16 O28 -","4","1","","Wu, Dong-Fang; Shen, Hai-Yun; Chu, Xiao-Ya; Chang, Wen-Ju; Zhao, Li-Hua; Duan, Yao-Yao; Chen, Huan-Huan; Cui, Jian-Zhong; Gao, Hong-Ling","Modulating the magnetization dynamics of four phenoxo-O bridged Dy2 complexes based on a Schiff base derived from 8-hydroxyquinoline","New Journal of Chemistry","2018","42","20","16836","","10.1039/C8NJ02888E","","","0.71073","MoKα","","0.0339","0.0298","","","0.0745","0.0832","","","","","","1.302","","","","has coordinates,has disorder","230356","2020-10-21","18:00:00",""
"7057701","23.8185","0.0012","11.4605","0.0003","18.9589","0.001","90","","125.846","0.011","90","","4195","0.7","113","2","113.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H34 Dy2 N8 O10 -","- C46 H34 Dy2 N8 O10 -","- C184 H136 Dy8 N32 O40 -","4","0.5","","Wu, Dong-Fang; Shen, Hai-Yun; Chu, Xiao-Ya; Chang, Wen-Ju; Zhao, Li-Hua; Duan, Yao-Yao; Chen, Huan-Huan; Cui, Jian-Zhong; Gao, Hong-Ling","Modulating the magnetization dynamics of four phenoxo-O bridged Dy2 complexes based on a Schiff base derived from 8-hydroxyquinoline","New Journal of Chemistry","2018","42","20","16836","","10.1039/C8NJ02888E","","","0.71073","MoKα","","0.0268","0.0257","","","0.1093","0.1104","","","","","","1.066","","","","has coordinates","230356","2020-10-21","18:00:00",""
"7057702","11.3032","0.0007","12.7346","0.0008","9.8024","0.0005","90","","108.759","0.004","90","","1336.02","0.14","120","2","120.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 Cu N8 -","- C28 H24 Cl2 Cu N8 -","- C56 H48 Cl4 Cu2 N16 -","2","0.5","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.71073","","","0.0959","0.0637","","","0.1135","0.1292","","","","","","1.137","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057703","10.4068","0.0007","12.7681","0.0006","9.4738","0.0005","90","","107.058","0.008","90","","1203.45","0.13","120","","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 Cu N8 -","- C26 H20 Cl2 Cu N8 -","- C52 H40 Cl4 Cu2 N16 -","2","0.5","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.710747","MoKα","","0.0513","0.0378","","","0.0801","0.0878","","","","","","1.025","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057704","9.544","0.011","12.724","0.014","22.54","0.03","90","","90","","90","","2737","6","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H18 Cl2 Cu F6 N8 -","- C28 H18 Cl2 Cu F6 N8 -","- C112 H72 Cl8 Cu4 F24 N32 -","4","1","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.6889","synchrotron","","0.1266","0.1135","","","0.297","0.3128","","","","","","1.067","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057705","12.5664","0.0012","25.691","0.003","9.7169","0.0009","90","","90","","90","","3137","0.6","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C26 H18 Cl4 Cu N8 -","- C26 H18 Cl4 Cu N8 -","- C104 H72 Cl16 Cu4 N32 -","4","0.5","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.71075","MoKα","","0.1882","0.0879","","","0.2132","0.2614","","","","","","0.96","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057706","11.2493","0.0008","11.53","0.0008","12.0137","0.0008","110.065","0.008","99.45","0.007","105.122","0.007","1356.5","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 Cu N10 O -","- C28 H20 Cl2 Cu N10 O -","- C56 H40 Cl4 Cu2 N20 O2 -","2","1","","Conradie, J.; Conradie, M. M.; Tawfiq, K. M.; Coles, S. J.; Tizzard, G. J.; Wilson, C.; Potgieter, J. H.","Jahn‒Teller distortion in 2-pyridyl-(1,2,3)-triazole-containing copper(ii) compounds","New Journal of Chemistry","2018","42","19","16335","","10.1039/C8NJ03080D","","","0.71075","MoKα","","0.135","0.0778","","","0.1875","0.2192","","","","","","1.073","","","","has coordinates","230322","2020-10-21","18:00:00",""
"7057707","9.539","0.012","12.232","0.017","15.85","0.02","96.85","0.05","96.37","0.05","98.01","0.06","1803","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Mn N4 O5 -","- C42 H38 Mn N4 O5 -","- C84 H76 Mn2 N8 O10 -","2","1","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","0.71073","MoKα","","0.0969","0.0564","","","0.1436","0.1675","","","","","","1.027","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057708","9.5594","0.0001","5.4231","0.0001","32.063","0.0006","90","","91.892","0.001","90","","1661.29","0.05","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Mn N2 O7 -","- C40 H36 Mn N2 O7 -","- C80 H72 Mn2 N4 O14 -","2","1","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0402","0.0348","","","0.0566","0.0595","","","","","","0.975","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057709","14.6313","0.0003","11.6388","0.0002","20.9041","0.0004","90","","105.006","0.001","90","","3438.38","0.11","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H74 Mn2 N10 O8 -","- C80 H74 Mn2 N10 O8 -","- C160 H148 Mn4 N20 O16 -","2","0.5","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0606","0.0425","","","0.0984","0.1111","","","","","","1.086","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057710","7.4374","0.0001","17.2488","0.0003","29.1863","0.0005","90","","90","","90","","3744.2","0.1","160","2","160","2","","","","","","","","5","I c 2 a","I -2b -2b","45","","","","- C84 H88 Mn2 N8 O12 -","- C84 H88 Mn2 N8 O12 -","- C168 H176 Mn4 N16 O24 -","2","0.25","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0564","0.0422","","","0.0984","0.1161","","","","","","1.147","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057711","9.7397","0.0001","5.5786","0.0001","33.216","0.0001","90","","96.619","0.001","90","","1792.73","0.04","160","2","160","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H40 Mn N2 O8 -","- C38 H40 Mn N2 O8 -","- C76 H80 Mn2 N4 O16 -","2","1","","Dimiza, Filitsa; Raptopoulou, Catherine P.; Psycharis, Vassilis; Papadopoulos, Athanasios N.; Psomas, George","Manganese(ii) complexes with the non-steroidal anti-inflammatory drugs naproxen and mefenamic acid: synthesis, structure, antioxidant capacity, and interaction with albumins and DNA","New Journal of Chemistry","2018","42","20","16666","","10.1039/C8NJ03226B","","","1.54178","CuKα","","0.0343","0.0321","","","0.0744","0.0756","","","","","","1.015","","","","has coordinates","230361","2020-10-21","18:00:00",""
"7057712","11.8297","0.0004","13.0777","0.0005","19.8873","0.0005","89.971","0.0017","74.677","0.0015","64.969","0.0012","2666.71","0.16","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H58 Cl2 N6 Ni4 O14 S2 -","- C37 H58 Cl2 N6 Ni4 O14 S2 -","- C74 H116 Cl4 N12 Ni8 O28 S4 -","2","1","","Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis","Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis","New Journal of Chemistry","2018","42","20","16717","","10.1039/C8NJ03269F","","","0.71073","MoKα","","0.0909","0.0676","","","0.195","0.222","","","","","","1.059","","","","has coordinates,has disorder","230353","2020-10-21","18:00:00",""
"7057713","12.0157","0.0014","25.622","0.003","20.278","0.002","90","","95.703","0.005","90","","6212","1.2","300","2","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N8 Ni4 O18 S2 -","- C36 H52 N8 Ni4 O18 S2 -","- C144 H208 N32 Ni16 O72 S8 -","4","1","","Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis","Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis","New Journal of Chemistry","2018","42","20","16717","","10.1039/C8NJ03269F","","","0.71073","MoKα","","0.1136","0.0915","","","0.2761","0.2931","","","","","","1.101","","","","has coordinates","230353","2020-10-21","18:00:00",""
"7057714","11.186","0.003","12.76","0.004","19.351","0.005","95.105","0.007","95.35","0.007","94.242","0.007","2729.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 N6 Ni4 O22.5 -","- C45 H70 N6 Ni4 O22.5 -","- C90 H140 N12 Ni8 O45 -","2","1","","Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis","Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis","New Journal of Chemistry","2018","42","20","16717","","10.1039/C8NJ03269F","","","0.71073","MoKα","","0.0492","0.0403","","","0.1126","0.1214","","","","","","1.046","","","","has coordinates,has disorder","230353","2020-10-21","18:00:00",""
"7057715","11.6627","0.0006","12.5163","0.0006","19.642","0.0009","92.698","0.001","96.2","0.001","90.09","0.001","2847.2","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N5 Ni4 O24 -","- C40 H62 N5 Ni4 O24 -","- C80 H124 N10 Ni8 O48 -","2","1","","Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis","Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis","New Journal of Chemistry","2018","42","20","16717","","10.1039/C8NJ03269F","","","0.71073","MoKα","","0.0651","0.0555","","","0.161","0.1686","","","","","","1.077","","","","has coordinates","230353","2020-10-21","18:00:00",""
"7057716","10.037","0.0009","19.4409","0.0015","16.9061","0.0013","90","","92.873","0.001","90","","3294.7","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl F6 Ir N2 O2 P -","- C33 H33 Cl F6 Ir N2 O2 P -","- C132 H132 Cl4 F24 Ir4 N8 O8 P4 -","4","1","","Guo, Lihua; Zhang, Hairong; Tian, Meng; Tian, Zhenzhen; Xu, Yanjian; Yang, Yuliang; Peng, Hongwei; Liu, Peng; Liu, Zhe","Electronic effects on reactivity and anticancer activity by half-sandwich N,N-chelated iridium(iii) complexes","New Journal of Chemistry","2018","42","19","16183","","10.1039/C8NJ03360A","","","0.71073","MoKα","","0.1161","0.0519","","","0.1216","0.1499","","","","","","0.968","","","","has coordinates,has disorder","230338","2020-10-21","18:00:00",""
"7057717","10.941","0.0008","11.1991","0.0009","14.9659","0.0011","93.09","0.001","109.773","0.002","90.784","0.001","1722.1","0.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H29 Cl3 F6 Ir N2 O0.5 P -","- C31.5 H29 Cl3 F6 Ir N2 O0.5 P -","- C63 H58 Cl6 F12 Ir2 N4 O P2 -","2","1","","Guo, Lihua; Zhang, Hairong; Tian, Meng; Tian, Zhenzhen; Xu, Yanjian; Yang, Yuliang; Peng, Hongwei; Liu, Peng; Liu, Zhe","Electronic effects on reactivity and anticancer activity by half-sandwich N,N-chelated iridium(iii) complexes","New Journal of Chemistry","2018","42","19","16183","","10.1039/C8NJ03360A","","","0.71073","MoKα","","0.0506","0.0415","","","0.1097","0.1131","","","","","","1.024","","","","has coordinates,has disorder","230338","2020-10-21","18:00:00",""
"7057718","10.15","0.0009","13.1501","0.0011","14.9502","0.0012","104.382","0.002","104.1","0.002","105.659","0.003","1754.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Cl F6 Ir N4 P -","- C31 H31 Cl F6 Ir N4 P -","- C62 H62 Cl2 F12 Ir2 N8 P2 -","2","1","","Guo, Lihua; Zhang, Hairong; Tian, Meng; Tian, Zhenzhen; Xu, Yanjian; Yang, Yuliang; Peng, Hongwei; Liu, Peng; Liu, Zhe","Electronic effects on reactivity and anticancer activity by half-sandwich N,N-chelated iridium(iii) complexes","New Journal of Chemistry","2018","42","19","16183","","10.1039/C8NJ03360A","","","0.71073","MoKα","","0.0583","0.039","","","0.1059","0.1195","","","","","","0.696","","","","has coordinates,has disorder","230338","2020-10-21","18:00:00",""
"7057719","7.8799","0.0006","7.4837","0.0005","8.0522","0.0006","90","","102.935","0.003","90","","462.8","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H9 Br2 Cd N O3 -","- C5 H9 Br2 Cd N O3 -","- C10 H18 Br4 Cd2 N2 O6 -","2","1","","Boopathi, K.; Babu, S. Moorthy; Jagan, R.; Athimoolam, S.; Ramasamy, P.","Synthesis, crystal growth, physio-chemical characterization and quantum chemical calculations of NLO active metal‒organic crystal: dibromo(4-hydroxy-l-proline)cadmium(ii) for non-linear optical applications","New Journal of Chemistry","2018","42","21","17464","","10.1039/C8NJ02548G","","","0.71073","MoKα","","0.0209","0.0187","","","0.0549","0.0569","","","","","","0.616","","","","has coordinates","230516","2020-10-21","18:00:00",""
"7057720","11.854","0.0013","22.738","0.002","14.816","0.0018","90","","100.02","0.003","90","","3932.5","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 N2 O8 -","- C44 H50 N2 O8 -","- C176 H200 N8 O32 -","4","1","","Fan, Qiangwen; Tan, Hongbo; Li, Peng; Yan, Hong","Hetero-intermolecular [2+2] photocycloaddition of 1,4-dihydropyridines: a combined experimental and DFT study","New Journal of Chemistry","2018","42","20","16795","","10.1039/C8NJ02192A","","","0.71073","MoKα","","0.0583","0.0539","","","0.1481","0.1515","","","","","","1.051","","","","has coordinates","230355","2020-10-21","18:00:00",""
"7057721","7.0677","0.0017","38.091","0.008","12.609","0.003","90","","95.486","0.005","90","","3379","1.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 N2 O11 -","- C37 H44 N2 O11 -","- C148 H176 N8 O44 -","4","1","","Fan, Qiangwen; Tan, Hongbo; Li, Peng; Yan, Hong","Hetero-intermolecular [2+2] photocycloaddition of 1,4-dihydropyridines: a combined experimental and DFT study","New Journal of Chemistry","2018","42","20","16795","","10.1039/C8NJ02192A","","","0.71073","MoKα","","0.0991","0.0572","","","0.1149","0.1372","","","","","","1.048","","","","has coordinates","230355","2020-10-21","18:00:00",""
"7057722","10.9132","0.0013","16.828","0.002","21.963","0.003","88.088","0.009","75.632","0.007","76.611","0.007","3799.8","0.8","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H42 N2 O11 -","- C37 H42 N2 O11 -","- C148 H168 N8 O44 -","4","2","","Fan, Qiangwen; Tan, Hongbo; Li, Peng; Yan, Hong","Hetero-intermolecular [2+2] photocycloaddition of 1,4-dihydropyridines: a combined experimental and DFT study","New Journal of Chemistry","2018","42","20","16795","","10.1039/C8NJ02192A","","","0.71073","MoKα","","0.1166","0.0783","","","0.1892","0.2147","","","","","","1.048","","","","has coordinates,has disorder","230355","2020-10-21","18:00:00",""
"7057723","9.8846","0.0006","10.8052","0.0006","13.4619","0.0007","99.573","0.004","98.738","0.005","97.891","0.005","1381.69","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Fe0.5 I N9 O3 -","- C24 H27 Fe0.5 I N9 O3 -","- C48 H54 Fe I2 N18 O6 -","2","1","","Foretić, Blaženka; Vianello, Robert; Matković-Čalogović, Dubravka; Jadreško, Dijana; Picek, Igor","Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(ii) anions","New Journal of Chemistry","2018","42","19","16115","","10.1039/C8NJ03066A","","x-ray","0.71073","MoKα","","0.0648","0.0371","","","0.0718","0.0843","","","","","","1.009","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7057724","9.215","0.0005","12.2553","0.0005","16.2052","0.0008","108.627","0.004","95.042","0.004","105.537","0.004","1640.43","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Fe0.5 N7 O7 -","- C29 H36 Fe0.5 N7 O7 -","- C58 H72 Fe N14 O14 -","2","1","","Foretić, Blaženka; Vianello, Robert; Matković-Čalogović, Dubravka; Jadreško, Dijana; Picek, Igor","Supramolecular inter-ionic charge-transfer complexes between derivatives of pyridinium-4-oxime cations and hexacyanoferrate(ii) anions","New Journal of Chemistry","2018","42","19","16115","","10.1039/C8NJ03066A","","x-ray","0.71073","MoKα","","0.0724","0.0563","","","0.1359","0.147","","","","","","1.035","","","","has coordinates","230328","2020-10-21","18:00:00",""
"7057725","11.6219","0.0005","15.759","0.0006","20.525","0.0008","110.387","0.003","99.425","0.003","97.279","0.003","3406.8","0.3","180.15","","180.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H38 Ni P4 -","- C39 H38 Ni P4 -","- C156 H152 Ni4 P16 -","4","2","","Qi, Xinghao; Zhao, Hua; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones","New Journal of Chemistry","2018","42","20","16583","","10.1039/C8NJ03919D","","x-ray","0.71073","MoKα","","0.0689","0.0351","","","0.0676","0.0746","","","","","","0.89","","","","has coordinates","230365","2020-10-21","18:00:00",""
"7057726","11.509","0.003","11.656","0.003","19.386","0.005","99.039","0.002","103.741","0.002","108.331","0.002","2321","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H63 Fe O3 P5 -","- C50 H63 Fe O3 P5 -","- C100 H126 Fe2 O6 P10 -","2","1","","Qi, Xinghao; Zhao, Hua; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones","New Journal of Chemistry","2018","42","20","16583","","10.1039/C8NJ03919D","","","0.71073","MoKα","","0.0524","0.0426","","","0.1053","0.1125","","","","","","1.032","","","","has coordinates","230365","2020-10-21","18:00:00",""
"7057727","11.4187","0.0004","11.7446","0.0004","18.9017","0.0004","98.822","0.002","103.269","0.003","106.982","0.003","2292.52","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Co O3 P5 -","- C50 H59 Co0.971 O3 P5 -","- C100 H118 Co1.942 O6 P10 -","2","1","","Qi, Xinghao; Zhao, Hua; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis and catalytic application of [PPP]-pincer iron, nickel and cobalt complexes for the hydrosilylation of aldehydes and ketones","New Journal of Chemistry","2018","42","20","16583","","10.1039/C8NJ03919D","","x-ray","1.54184","CuKα","","0.0738","0.0651","","","0.1618","0.1689","","","","","","0.995","","","","has coordinates,has disorder","230365","2020-10-21","18:00:00",""
"7057728","6.2578","0.0005","13.1115","0.0006","10.1534","0.0004","90","","96.245","0.005","90","","828.13","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H27 B O3 -","- C16 H27 B O3 -","- C32 H54 B2 O6 -","2","1","","Zeng, Xianghua; Gong, Chunhua; Guo, Haiyang; Xu, Hao; Zhang, Junyong; Xie, Jingli","Efficient heterogeneous hydroboration of alkynes: enhancing the catalytic activity by Cu(0) incorporated CuFe2O4 nanoparticles","New Journal of Chemistry","2018","42","21","17346","","10.1039/C8NJ03708F","","","1.54184","CuKα","","0.0576","0.0455","","","0.1365","0.1458","","","","","","1.06","","","","has coordinates","230512","2020-10-21","18:00:00",""
"7057729","15.9765","0.0007","19.1257","0.0008","19.7837","0.0009","107.484","0.002","113.614","0.002","95.893","0.002","5108.1","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C111 H95 Cl2 Ir2 N19 O16 -","- C111 H95 Cl2 Ir2 N19 O16 -","- C222 H190 Cl4 Ir4 N38 O32 -","2","1","","Bhat, Satish S.; Revankar, Vidyanand K.; Pinjari, Rahul V.; Naveen, S.; Lokanath, N. K.; Kumbar, Vijay; Bhat, Kishore; Kokare, Dhoolesh G.","Phosphorescent cyclometalated iridium(iii) complexes: synthesis, photophysics, DNA interaction, cellular internalization, and cytotoxic activity","New Journal of Chemistry","2018","42","20","16846","","10.1039/C8NJ03390K","","","1.54178","CuKα","","0.056","0.0508","","","0.1419","0.1475","","","","","","1.039","","","","has coordinates","230363","2020-10-21","18:00:00",""
"7057730","12.7026","0.0011","6.3568","0.0005","16.2435","0.0015","90","","107.604","0.002","90","","1250.2","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 -","- C14 H12 N4 -","- C56 H48 N16 -","4","1","","Zhang, Chen; Shi, Yu-Long; Zhang, Li-Yu; Yuan, Dong-Peng; Ban, Meng-Tao; Zheng, Jia-Yao; Liu, Deng-Hui; Guo, Shun-Na; Cui, Dong-Mei","NaOH-promoted reaction of 1,1-dihaloalkenes and 1H-azoles: synthesis of dihetaryl substituted alkenes","New Journal of Chemistry","2018","42","21","17732","","10.1039/C8NJ02756K","","","0.71073","MoKα","","0.1508","0.0775","","","0.1336","0.168","","","","","","1.003","","","","has coordinates","230508","2020-10-21","18:00:00",""
"7057731","9.045","0.0006","9.566","0.0005","18.9448","0.0012","90","","90.971","0.002","90","","1638.95","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N4 O2 -","- C16 H15 Br N4 O2 -","- C64 H60 Br4 N16 O8 -","4","1","","Zhang, Chen; Shi, Yu-Long; Zhang, Li-Yu; Yuan, Dong-Peng; Ban, Meng-Tao; Zheng, Jia-Yao; Liu, Deng-Hui; Guo, Shun-Na; Cui, Dong-Mei","NaOH-promoted reaction of 1,1-dihaloalkenes and 1H-azoles: synthesis of dihetaryl substituted alkenes","New Journal of Chemistry","2018","42","21","17732","","10.1039/C8NJ02756K","","","0.71073","MoKα","","0.1168","0.047","","","0.0888","0.1375","","","","","","1.001","","","","has coordinates","230508","2020-10-21","18:00:00",""
"7057732","11.3235","0.0006","9.7491","0.0003","14.2452","0.0008","90","","111.822","0.002","90","","1459.9","0.12","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.078","0.0463","","","0.0992","0.115","","","","","","1.009","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057733","11.3155","0.0009","9.7527","0.0005","14.2477","0.0011","90","","111.746","0.003","90","","1460.43","0.18","210","2","210","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.0809","0.0462","","","0.0979","0.1136","","","","","","1.016","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057734","11.3142","0.001","9.7891","0.0006","14.2833","0.0013","90","","111.607","0.004","90","","1470.8","0.2","270","2","270","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.0967","0.0499","","","0.1012","0.1209","","","","","","1.011","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057735","11.3216","0.0008","9.7698","0.0004","14.2672","0.001","90","","111.713","0.003","90","","1466.12","0.16","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.0874","0.0461","","","0.0978","0.1174","","","","","","1.006","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057736","11.3139","0.0009","9.7762","0.0005","14.2685","0.0012","90","","111.658","0.004","90","","1466.78","0.19","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.0933","0.0486","","","0.1021","0.1213","","","","","","1.015","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057737","11.3117","0.001","9.8022","0.0005","14.292","0.0013","90","","111.539","0.004","90","","1474","0.2","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C72 H64 N8 O8 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Groeneman, Ryan H.","Covalent bond formation via a [2+2] cycloaddition reaction as a tool to alter thermal expansion parameters of organic co-crystals","New Journal of Chemistry","2018","42","20","16460","","10.1039/C8NJ03815E","","","0.71073","MoKα","","0.106","0.0425","","","0.0737","0.0877","","","","","","0.8","","","","has coordinates","230362","2020-10-21","18:00:00",""
"7057738","9.3644","0.0015","12.434","0.002","15.034","0.002","88.458","0.009","74.625","0.009","85.183","0.009","1681.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H37 N5 O5 -","- C36 H37 N5 O5 -","- C72 H74 N10 O10 -","2","1","","Bhanja, Anup Kumar; Mishra, Snehasis; Kar, Ketaki; Naskar, Kaushik; Maity, Suvendu; Das Saha, Krishna; Sinha, Chittaranjan","Use of rhodamine-allyl Schiff base in chemodosimetric processes for total palladium estimation and application in live cell imaging","New Journal of Chemistry","2018","42","21","17351","","10.1039/C8NJ04519D","","","0.71073","MoKα","","0.1634","0.0766","","","0.1902","0.2424","","","","","","1.053","","","","has coordinates","230507","2020-10-21","18:00:00",""
"7057739","15.697","0.0008","19.1711","0.001","18.4094","0.001","90","","99.743","0.002","90","","5460","0.5","298","","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Co4 N8 O20 -","- C50 H50 Co4 N8 O20 -","- C200 H200 Co16 N32 O80 -","4","1","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.0664","0.0411","","","0.0955","0.1119","","","","","","1.04","","","","has coordinates,has disorder","230514","2020-10-21","18:00:00",""
"7057740","15.667","0.003","18.919","0.004","17.862","0.004","90","","99.176","0.004","90","","5226.6","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Br2 Co4 N6 O14 -","- C50 H50 Br2 Co4 N6 O14 -","- C200 H200 Br8 Co16 N24 O56 -","4","1","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.14","0.0477","","","0.0947","0.1162","","","","","","0.996","","","","has coordinates","230514","2020-10-21","18:00:00",""
"7057741","10.4995","0.0006","10.701","0.0006","10.8086","0.0006","63.723","0.002","84.122","0.002","73.876","0.002","1045.78","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Co3 N4 O14 -","- C38 H42 Co3 N4 O14 -","- C38 H42 Co3 N4 O14 -","1","0.5","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.0611","0.0486","","","0.1041","0.1153","","","","","","1.212","","","","has coordinates","230514","2020-10-21","18:00:00",""
"7057742","11.3899","0.0005","17.0364","0.0007","24.9905","0.0011","90","","90","","90","","4849.2","0.4","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C44 H58 Co3 N4 O16 -","- C44 H58 Co3 N4 O16 -","- C176 H232 Co12 N16 O64 -","4","1","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.06","0.0461","","","0.125","0.1429","","","","","","1.105","","","","has coordinates","230514","2020-10-21","18:00:00",""
"7057743","15.7486","0.0006","18.8273","0.0007","17.855","0.0007","90","","99.561","0.001","90","","5220.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 Cl2 Co4 N6 O14 -","- C50 H50 Cl2 Co4 N6 O14 -","- C200 H200 Cl8 Co16 N24 O56 -","4","1","","Sikdar, Yeasin; Goswami, Ranadip; Modak, Ritwik; Basak, Megha; Heras Ojea, María José; Murrie, Mark; Goswami, Sanchita","Diazine based ligand supported CoII3 and CoII4 coordination complexes: role of anions","New Journal of Chemistry","2018","42","21","17587","","10.1039/C8NJ02955E","","","0.71073","MoKα","","0.0706","0.049","","","0.0985","0.1139","","","","","","1.085","","","","has coordinates,has disorder","230514","2020-10-21","18:00:00",""
"7057744","8.8584","0.0018","7.6373","0.0015","12.517","0.003","90","","103.91","0.03","90","","822","0.3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O9 -","- C14 H19 N O9 -","- C28 H38 N2 O18 -","2","1","","Tangara, Salia; Kanazawa, Alice; Fayolle, Martine; Philouze, Christian; Poisson, Jean-François; Behr, Jean-Bernard; Py, Sandrine","Short synthesis, X-ray and conformational analysis of a cyclic peracetylated l-sorbose-derived nitrone, a useful intermediate towards N‒O-containing d-gluco-iminosugars","New Journal of Chemistry","2018","42","20","16735","","10.1039/C8NJ03868F","","x-ray","1.54178","CuKα","","0.058","0.0564","","","0.1798","0.1812","","","","","","1.1","","","","has coordinates","230358","2020-10-21","18:00:00",""
"7057745","30.4611","0.0019","13.4798","0.0008","39.943","0.003","90","","104.246","0.003","90","","15896.6","1.8","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C90 H150 Cu10 Mo5 N70 -","- C90 H150 Cu10 Mo5 N70 -","- C360 H600 Cu40 Mo20 N280 -","4","1","","Korzeniak, Tomasz; Sasmal, Sujit; Pinkowicz, Dawid; Sieklucka, Barbara","The photomagnetic effect in 2-D cyanido-bridged coordination polymer [Cu(aepa)]10[Mo(CN)8]5·30H2O","New Journal of Chemistry","2018","42","20","17009","","10.1039/C8NJ02952K","","","0.71073","MoKα","","0.0592","0.0447","","","0.1049","0.1115","","","","","","1.015","","","","has coordinates,has disorder","230366","2020-10-21","18:00:00",""
"7057746","14.9512","0.0006","15.6918","0.0005","19.4924","0.0006","92.901","0.002","110.024","0.003","118.127","0.004","3663.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H40 Dy N6 O8.75 -","- C37.5 H40 Dy N6 O8.75 -","- C150 H160 Dy4 N24 O35 -","4","2","","Li, Xi-Li; Li, Junfeng; Zhu, Cancan; Han, Bing; Liu, Yingfan; Yin, Zhigang; Li, Fengcai; Liu, Cai-Ming","An intense luminescent Dy(iii) single-ion magnet with the acylpyrazolonate ligand showing two slow magnetic relaxation processes","New Journal of Chemistry","2018","42","20","16992","","10.1039/C8NJ03345E","","","0.71073","MoKα","","0.0498","0.0388","","","0.0671","0.072","","","","","","0.999","","","","has coordinates","230359","2020-10-21","18:00:00",""
"7057747","4.9045","0.0011","11.022","0.002","10.913","0.003","90","","101.589","0.006","90","","577.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio","Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone","New Journal of Chemistry","2018","42","21","17574","","10.1039/C8NJ03569E","","","0.71073","MoKα","","0.0604","0.0439","","","0.0963","0.1025","","","","","","1.045","","","","has coordinates","230509","2020-10-21","18:00:00",""
"7057748","9.8785","0.0006","13.908","0.0009","18.1728","0.0011","90","","101.945","0.001","90","","2442.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cl N3 O3 Ru -","- C26 H30 Cl N3 O3 Ru -","- C104 H120 Cl4 N12 O12 Ru4 -","4","1","","Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio","Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone","New Journal of Chemistry","2018","42","21","17574","","10.1039/C8NJ03569E","","","0.71073","MoKα","","0.0513","0.0437","","","0.0952","0.0984","","","","","","1.107","","","","has coordinates,has disorder","230509","2020-10-21","18:00:00",""
"7057749","11.74","0.02","14.45","0.03","15.4","0.03","62.5","0.05","82.9","0.03","73.44","0.03","2221","7","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C54.5 H56 N8 O2 -","- C54.5 H56 N8 O2 -","- C109 H112 N16 O4 -","2","1","","Dey, Soumyajit; Dewey, Jacob R.; Wayland, Bradford B.; Zdilla, Michael J.","Synthesis of a tethered dibenzotetramethyltetraaza[14]annulene macrocycle and the di-nickel(ii) derivative","New Journal of Chemistry","2018","42","24","19369","","10.1039/C8NJ03154A","","","0.71073","MoKα","","0.1988","0.0875","","","0.1863","0.2453","","","","","","0.965","","","","has coordinates,has disorder","230177","2020-10-21","18:00:00",""
"7057750","8.489","0.0003","16.3138","0.0007","17.6793","0.0006","90","","97.676","0.003","90","","2426.43","0.16","295","0.6","295","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 I N3 O4 S -","- C24 H24 I N3 O4 S -","- C96 H96 I4 N12 O16 S4 -","4","1","","Li, Yan; Luo, Guo Li; Li, Xiao Xiao; Zhao, Zhi Gang","NIS-Mediated intermolecular hydroamination of allenamides with imidazole heterocycles: a facile protocol for the synthesis of allylic N,N-acetals","New Journal of Chemistry","2018","42","20","16940","","10.1039/C8NJ03641A","","x-ray","1.54184","CuKα","","0.0669","0.0588","","","0.1586","0.1705","","","","","","1.025","","","","has coordinates","230360","2020-10-21","18:00:00",""
"7057751","9.563","0.009","10.201","0.01","16.616","0.016","89.822","0.015","89.865","0.016","76.378","0.015","1575","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3.2 N0.6 O0.4 S0.2 -","- C64 N12 O8 S4 -","20","10","","Liu, Zengchen; Yang, Weijie; Tian, Boshi; Liu, Jin; Zhu, Wenping; Ge, Genwu; Xiao, Lina; Meng, Yuning","Fabrication of a self-assembled supramolecular fluorescent nanosensor from functional graphene oxide and its application for the detection of Al3+","New Journal of Chemistry","2018","42","21","17665","","10.1039/C8NJ03322F","","","0.71073","MoKα","","0.2602","0.1623","","","0.4267","0.482","","","","","","1.474","","","","has coordinates","230510","2020-10-21","18:00:00",""
"7057752","17.429","0.0004","14.9664","0.0004","15.2497","0.0004","90","","90","","90","","3977.87","0.17","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H17 N5 O6 S -","- C20 H17 N5 O6 S -","- C160 H136 N40 O48 S8 -","8","1","","Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank","Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction","New Journal of Chemistry","2018","42","21","17533","","10.1039/C8NJ03949F","","","1.54178","CuKα","","0.0496","0.0367","","","0.0901","0.0974","","","","","","1.043","","","","has coordinates,has disorder","230515","2020-10-21","18:00:00",""
"7057753","15.5362","0.0005","17.8907","0.0005","30.3195","0.0008","90","","90.3629","0.0009","90","","8427.2","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N5 O5 S -","- C22 H19 N5 O5 S -","- C352 H304 N80 O80 S16 -","16","4","","Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank","Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction","New Journal of Chemistry","2018","42","21","17533","","10.1039/C8NJ03949F","","","0.71073","MoKα","","0.1177","0.0593","","","0.1282","0.1568","","","","","","1.005","","","","has coordinates","230515","2020-10-21","18:00:00",""
"7057754","19.8951","0.0011","6.7525","0.0004","8.0436","0.0004","90","","90","","90","","1080.59","0.1","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C40 H44 N12 O8 S4 -","4","0.5","","Ramezanpour, Sorour; Rezaei, Mohammad Nasim; Vaezghaemi, Aref; Rominger, Frank","Facile synthesis of novel 3,4,5-trisubstituted-1,2,4-triazin-6(1H)-ones via a sequential Ugi‒Smiles type/nucleophilic substitution/cyclization reaction","New Journal of Chemistry","2018","42","21","17533","","10.1039/C8NJ03949F","","","0.71073","MoKα","","0.0532","0.0401","","","0.0947","0.1019","","","","","","1.047","","","","has coordinates","230515","2020-10-21","18:00:00",""
"7057755","11.7927","0.001","12.7479","0.0011","17.1763","0.0016","103.52","0.004","105.261","0.004","97.511","0.004","2370.6","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 N4 O12 S2 Zn2 -","- C40 H26 N4 O12 S2 Zn2 -","- C80 H52 N8 O24 S4 Zn4 -","2","1","","Abdolalian, Payam; Morsali, Ali; Makhloufi, Gamall; Janiak, Christoph","Acid- and base-stable porous mechanically interlocked 2D metal‒organic polyrotaxane for in situ organochlorine insecticide encapsulation, sensing and removal","New Journal of Chemistry","2018","42","22","18152","","10.1039/C8NJ03302A","","","0.71073","MoKα","","0.0952","0.0445","","","0.0942","0.1096","","","","","","1","","","","has coordinates","230219","2020-10-21","18:00:00",""
"7057756","12.9892","0.0014","10.2156","0.0011","12.6418","0.0014","90","","110.54","0.002","90","","1570.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H26 B9 N O -","- C9 H26 B9 N O -","- C36 H104 B36 N4 O4 -","4","1","","Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11","New Journal of Chemistry","2018","42","22","17958","","10.1039/C8NJ04192J","","","0.71073","MoKα","","0.0892","0.0527","","","0.128","0.1511","","","","","","1.018","","","","has coordinates","230211","2020-10-21","18:00:00",""
"7057757","11.739","0.0005","11.0686","0.0005","11.8796","0.0005","90","","105.852","0.001","90","","1484.87","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 B9 N O -","- C8 H24 B9 N O -","- C32 H96 B36 N4 O4 -","4","1","","Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11","New Journal of Chemistry","2018","42","22","17958","","10.1039/C8NJ04192J","","","0.71073","MoKα","","0.0576","0.0431","","","0.1137","0.1248","","","","","","1.043","","","","has coordinates","230211","2020-10-21","18:00:00",""
"7057758","10.1766","0.0013","10.2752","0.0013","14.3502","0.0018","90","","107.658","0.003","90","","1429.9","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H22 B9 N O -","- C7 H22 B9 N O -","- C28 H88 B36 N4 O4 -","4","1","","Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11","New Journal of Chemistry","2018","42","22","17958","","10.1039/C8NJ04192J","","","0.71073","MoKα","","0.102","0.0691","","","0.1452","0.163","","","","","","1.067","","","","has coordinates","230211","2020-10-21","18:00:00",""
"7057759","13.8859","0.0008","7.9068","0.0005","14.3032","0.0008","90","","114.974","0.003","90","","1423.56","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H22 B9 N S -","- C7 H22 B9 N S -","- C28 H88 B36 N4 S4 -","4","1","","Stogniy, Marina Yu.; Erokhina, Svetlana A.; Suponitsky, Kyrill Yu.; Anisimov, Aleksei A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Nucleophilic addition reactions to the ethylnitrilium derivative of nido-carborane 10-EtCN-7,8-C2B9H11","New Journal of Chemistry","2018","42","22","17958","","10.1039/C8NJ04192J","","","0.71073","MoKα","","0.0863","0.0605","","","0.1575","0.1793","","","","","","1.047","","","","has coordinates","230211","2020-10-21","18:00:00",""
"7057760","10.576","0.0004","14.2795","0.0006","24.2119","0.001","90","","90","","90","","3656.5","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl2 N2 O3 Pt -","- C18 H20 Cl2 N2 O3 Pt -","- C144 H160 Cl16 N16 O24 Pt8 -","8","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Dyson, Paul J.; Zacchini, Stefano; Schoch, Silvia; Pampaloni, Guido; Marchetti, Fabio","α-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity","New Journal of Chemistry","2018","42","21","17453","","10.1039/C8NJ04195D","","","0.71073","MoKα","","0.0811","0.0653","","","0.1052","0.1096","","","","","","1.221","","","","has coordinates,has disorder","230506","2020-10-21","18:00:00",""
"7057761","9.1298","0.0009","6.7916","0.0006","14.3444","0.0014","90","","106.402","0.002","90","","853.24","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 Cl2 N2 O2 Pt -","- C4 H8 Cl2 N2 O2 Pt -","- C16 H32 Cl8 N8 O8 Pt4 -","4","1","","Biancalana, Lorenzo; Batchelor, Lucinda K.; Dyson, Paul J.; Zacchini, Stefano; Schoch, Silvia; Pampaloni, Guido; Marchetti, Fabio","α-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity","New Journal of Chemistry","2018","42","21","17453","","10.1039/C8NJ04195D","","","0.71073","MoKα","","0.0329","0.0307","","","0.0741","0.0752","","","","","","1.101","","","","has coordinates","230506","2020-10-21","18:00:00",""
"7057762","8.2023","0.0003","7.1828","0.0002","23.2593","0.0008","90","","90.518","0.001","90","","1370.28","0.08","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-((2-(4-chlorophenylhydrazone)methyl)quinolone","","- C16 H11 Cl N3 -","- C16 H12 Cl N3 -","- C64 H48 Cl4 N12 -","4","1","","Villada, Juan D.; D’Vries, Richard F.; Macías, Mario; Zuluaga, Fabio; Chaur, Manuel N.","Structural characterization of a fluorescein hydrazone molecular switch with application towards logic gates","New Journal of Chemistry","2018","42","22","18050","","10.1039/C8NJ03817A","","x-ray","0.71073","MoKα","","0.0442","0.0371","","","0.0999","0.1067","","","","","","1.05","","","","has coordinates","230214","2020-10-21","18:00:00",""
"7057763","18.5652","0.0016","20.3447","0.0012","34.028","0.002","83.828","0.003","76.309","0.002","67.753","0.002","11555.5","1.4","157","2","157","2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H196 Cl4 Gd8 N24 O60 -","- C210 H196 Cl4 Gd8 N24 O60 -","- C420 H392 Cl8 Gd16 N48 O120 -","2","1","","Yao, Min-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhang, Wei; Liu, Sui-Jun; Cai, Xu-Min","Self-assembly of rare octanuclear quad(double-stranded) cluster helicates showing slow magnetic relaxation and the magnetocaloric effect","New Journal of Chemistry","2018","42","21","17652","","10.1039/C8NJ04169E","","","0.71073","MoKα","","0.1013","0.0476","","","0.1157","0.1264","","","","","","0.927","","","","has coordinates","230513","2020-10-21","18:00:00",""
"7057764","18.6643","0.0015","20.4817","0.0015","34.2977","0.0018","83.69","0.002","75.612","0.003","67.783","0.002","11755.3","1.4","157","2","157","2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H196 Cl4 N24 O60 Tb8 -","- C210 H196 Cl4 N24 O60 Tb8 -","- C420 H392 Cl8 N48 O120 Tb16 -","2","1","","Yao, Min-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhang, Wei; Liu, Sui-Jun; Cai, Xu-Min","Self-assembly of rare octanuclear quad(double-stranded) cluster helicates showing slow magnetic relaxation and the magnetocaloric effect","New Journal of Chemistry","2018","42","21","17652","","10.1039/C8NJ04169E","","","0.71073","MoKα","","0.065","0.0328","","","0.08","0.0845","","","","","","0.843","","","","has coordinates","230513","2020-10-21","18:00:00",""
"7057765","18.455","0.0015","20.4824","0.0015","34.151","0.002","84.353","0.002","76.907","0.003","67.859","0.002","11645.2","1.5","157","2","157","2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H196 Cl4 Dy8 N24 O60 -","- C210 H196 Cl4 Dy8 N24 O60 -","- C420 H392 Cl8 Dy16 N48 O120 -","2","1","","Yao, Min-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhang, Wei; Liu, Sui-Jun; Cai, Xu-Min","Self-assembly of rare octanuclear quad(double-stranded) cluster helicates showing slow magnetic relaxation and the magnetocaloric effect","New Journal of Chemistry","2018","42","21","17652","","10.1039/C8NJ04169E","","","0.71073","MoKα","","0.0886","0.0454","","","0.1168","0.1347","","","","","","0.978","","","","has coordinates","230513","2020-10-21","18:00:00",""
"7057766","18.75","0.002","20.5094","0.0011","34.3155","0.0017","84.101","0.001","75.575","0.002","67.709","0.001","11824.5","1.5","157","2","157","2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H196 Cl4 Ho8 N24 O60 -","- C210 H196 Cl4 Ho8 N24 O60 -","- C420 H392 Cl8 Ho16 N48 O120 -","2","1","","Yao, Min-Xia; Cai, Li-Zheng; Deng, Xiao-Wei; Zhang, Wei; Liu, Sui-Jun; Cai, Xu-Min","Self-assembly of rare octanuclear quad(double-stranded) cluster helicates showing slow magnetic relaxation and the magnetocaloric effect","New Journal of Chemistry","2018","42","21","17652","","10.1039/C8NJ04169E","","","0.71073","MoKα","","0.0747","0.0441","","","0.1145","0.1201","","","","","","0.933","","","","has coordinates","230513","2020-10-21","18:00:00",""
"7057767","11.2941","0.0012","16.0878","0.0017","20.25","0.002","99.308","0.002","99.692","0.002","102.967","0.002","3457.3","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H85 Co Dy O13 P3 S4 -","- C59 H85 Co Dy O13 P3 S4 -","- C118 H170 Co2 Dy2 O26 P6 S8 -","2","1","","Ge, Jing-Yuan; Chen, Zhongyan; Wang, Hai-Ying; Wang, Haiou; Wang, Peng; Duan, Xing; Huo, Dexuan","Thiacalix[4]arene-supported mononuclear lanthanide compounds: slow magnetic relaxation in dysprosium and erbium analogues","New Journal of Chemistry","2018","42","22","17968","","10.1039/C8NJ04016H","","","0.71073","MoKα","","0.0463","0.0394","","","0.1134","0.1179","","","","","","1.087","","","","has coordinates","230216","2020-10-21","18:00:00",""
"7057768","11.2008","0.001","15.916","0.0014","19.996","0.0018","99.6731","0.0012","100.026","0.0013","102.89","0.0013","3341.4","0.5","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H85 Co Er O13 P3 S4 -","- C59 H85 Co Er O13 P3 S4 -","- C118 H170 Co2 Er2 O26 P6 S8 -","2","1","","Ge, Jing-Yuan; Chen, Zhongyan; Wang, Hai-Ying; Wang, Haiou; Wang, Peng; Duan, Xing; Huo, Dexuan","Thiacalix[4]arene-supported mononuclear lanthanide compounds: slow magnetic relaxation in dysprosium and erbium analogues","New Journal of Chemistry","2018","42","22","17968","","10.1039/C8NJ04016H","","","0.71073","MoKα","","0.045","0.04","","","0.1034","0.1078","","","","","","1.022","","","","has coordinates","230216","2020-10-21","18:00:00",""
"7057769","11.2885","0.0003","16.1038","0.0004","20.2585","0.0006","99.302","0.001","99.709","0.001","102.88","","3461.76","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H85 Co O13 P3 S4 Tb -","- C59 H85 Co O13 P3 S4 Tb -","- C118 H170 Co2 O26 P6 S8 Tb2 -","2","1","","Ge, Jing-Yuan; Chen, Zhongyan; Wang, Hai-Ying; Wang, Haiou; Wang, Peng; Duan, Xing; Huo, Dexuan","Thiacalix[4]arene-supported mononuclear lanthanide compounds: slow magnetic relaxation in dysprosium and erbium analogues","New Journal of Chemistry","2018","42","22","17968","","10.1039/C8NJ04016H","","","0.71073","MoKα","","0.0462","0.0395","","","0.1227","0.1287","","","","","","1.014","","","","has coordinates","230216","2020-10-21","18:00:00",""
"7057770","11.2896","0.0014","16.029","0.002","20.223","0.003","99.313","0.002","99.718","0.002","102.957","0.002","3438.4","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H85 Co Ho O13 P3 S4 -","- C59 H85 Co Ho O13 P3 S4 -","- C118 H170 Co2 Ho2 O26 P6 S8 -","2","1","","Ge, Jing-Yuan; Chen, Zhongyan; Wang, Hai-Ying; Wang, Haiou; Wang, Peng; Duan, Xing; Huo, Dexuan","Thiacalix[4]arene-supported mononuclear lanthanide compounds: slow magnetic relaxation in dysprosium and erbium analogues","New Journal of Chemistry","2018","42","22","17968","","10.1039/C8NJ04016H","","","0.71073","MoKα","","0.1127","0.0696","","","0.1646","0.1856","","","","","","1.101","","","","has coordinates","230216","2020-10-21","18:00:00",""
"7057771","4.1335","0.0008","6.674","0.0013","9.1613","0.0018","90","","100.43","0.03","90","","248.56","0.09","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ba Cl Cu H3 O3 -","- Ba Cl Cu H3 O3 -","- Ba2 Cl2 Cu2 H6 O6 -","2","0.5","","Wang, Ming-Qing; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","BaCu(OH)3Cl: a new one-dimensional Mott insulator with a CuO2 chessboard layer","New Journal of Chemistry","2018","42","22","18077","","10.1039/C8NJ04266G","","","0.71073","MoKα","","0.027","0.0254","","","0.0617","0.0628","","","","","","1.034","","","","has coordinates","230218","2020-10-21","18:00:00",""
"7057772","13.122","0.005","7.07","0.003","18.912","0.008","90","","96.986","0.007","90","","1741.5","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4?-bipyridine-6,2?-diyl bis(tert-butyl nitroxide)","","- C18 H24 N4 O2 -","- C18 H24 N4 O2 -","- C72 H96 N16 O8 -","4","1","","Okazawa, Atsushi; Terakado, Yutaro; Ishida, Takayuki; Kojima, Norimichi","A triplet biradical with double bidentate sites based on tert-butyl pyridyl nitroxide as a candidate for strong ferromagnetic couplers","New Journal of Chemistry","2018","42","22","17874","","10.1039/C8NJ04180F","","","0.71073","MoKα","","0.1001","0.0655","","","0.119","0.1324","","","","","","1.115","","","","has coordinates","230220","2020-10-21","18:00:00",""
"7057773","7.8194","0.0003","8.2508","0.0003","12.0455","0.0005","94.298","0.002","107.224","0.002","115.874","0.002","648.75","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Co(NC5H4SeCH2C5H4N)Cl2","","","- C11 H10 Cl2 Co N2 Se -","- C11 H10 Cl2 Co N2 Se -","- C22 H20 Cl4 Co2 N4 Se2 -","2","1","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0605","0.0346","","","0.0637","0.0693","","","","","","1.195","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057774","5.114","0.002","7.55","0.003","9.106","0.003","75.934","0.015","85.21","0.02","72.06","0.02","324.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","- C12 H12 Cu N2 O6 -","1","0.5","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.56086","AgKα","","0.0259","0.0231","","","0.0566","0.0578","","","","","","1.128","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057775","21.3785","0.0011","7.7887","0.0004","20.5657","0.001","90","","100.832","0.002","90","","3363.4","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd2(C11H9N2Se)2(O2CCH3)2(H2O)7","","","- C26 H38 N4 O11 Pd2 Se2 -","- C26 H38 N4 O11 Pd2 Se2 -","- C104 H152 N16 O44 Pd8 Se8 -","4","1","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0589","0.04","","","0.0808","0.0856","","","","","","1.14","","","","has coordinates","230511","2020-10-21","18:00:00",""
"7057776","7.759","0.0005","8.3854","0.0006","11.2192","0.0008","90.009","0.002","106.819","0.002","112.097","0.002","642.49","0.08","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl4 Cu2 N4 Se2 -","- C22 H20 Cl4 Cu2 N4 Se2 -","- C22 H20 Cl4 Cu2 N4 Se2 -","1","0.5","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0485","0.0329","","","0.0822","0.0882","","","","","","1.17","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057777","6.9883","0.0004","7.3034","0.0004","14.1926","0.0008","77.705","0.0017","81.6484","0.0017","63.8415","0.0015","634.17","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cl2 Cu N2 Se -","- C11 H10 Cl2 Cu N2 Se -","- C22 H20 Cl4 Cu2 N4 Se2 -","2","1","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.56086","AgKα","","0.0497","0.0405","","","0.0894","0.0916","","","","","","1.182","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057778","9.5828","0.0003","8.4187","0.0003","9.7002","0.0003","90","","105.088","0.001","90","","755.58","0.04","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H10 Cu2 I2 N2 Se -","- C11 H10 Cu2 I2 N2 Se -","- C22 H20 Cu4 I4 N4 Se2 -","2","1","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0239","0.0189","","","0.034","0.0352","","","","","","1.045","","","","has coordinates","230511","2020-10-21","18:00:00",""
"7057779","7.8651","0.0004","9.3649","0.0005","9.9211","0.0005","87.404","0.002","71.217","0.002","71.497","0.002","654.75","0.06","294","2","294","2","","","","","","","","6","P -1","-P 1","2","Cu(NC5H4CH2SeC5N)I2","","","- C22 H20 Cu2 I2 N4 Se2 -","- C22 H20 Cu2 I2 N4 Se2 -","- C22 H20 Cu2 I2 N4 Se2 -","1","0.5","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.71073","MoKα","","0.0491","0.0327","","","0.0608","0.0677","","","","","","1.139","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057780","8.0642","0.0003","8.671","0.0003","9.5068","0.0003","82.409","0.001","73.892","0.001","67.818","0.001","591.11","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu2 N4 S0.55 Se3.45 -","- C20 H16 Cl2 Cu2 N4 S0.546 Se3.454 -","- C20 H16 Cl2 Cu2 N4 S0.546 Se3.454 -","1","0.5","","Cargnelutti, Roberta; Delgado, Cássia P.; Cervo, Rodrigo; Tirloni, Bárbara; Burrow, Robert A.; Lang, Ernesto S.","Synthesis and structural chemistry of CoII, CuII, CuI and PdII complexes containing a flexible monoselenoether ligand","New Journal of Chemistry","2018","42","21","17185","","10.1039/C8NJ03621G","","","0.56086","AgKα","","0.0276","0.0234","","","0.0502","0.0512","","","","","","1.186","","","","has coordinates,has disorder","230511","2020-10-21","18:00:00",""
"7057781","9.2","0.03","6.33","0.019","11.25","0.03","90","","108.39","0.03","90","","622","3","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H18 N4 O2 -","- C12 H18 N4 O2 -","- C24 H36 N8 O4 -","2","0.5","","Ji, Bao-Qian; Jagodič, Marko; Ma, Hui-Yan; Su, Hai-Feng; Li, Yun-Wu; Tung, Chen-Ho; Sun, Di","Solution behavior and magnetic properties of a novel nonanuclear copper(ii) cluster","New Journal of Chemistry","2018","42","22","17884","","10.1039/C8NJ04230F","","x-ray","0.71073","MoKα","","0.1616","0.0683","","","0.1355","0.1704","","","","","","0.97","","","","has coordinates","230206","2020-10-21","18:00:00",""
"7057782","13.976","0.006","14.608","0.006","24.623","0.01","92.253","0.005","87.947","0.005","108.482","0.005","4763","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H96 Cu9 N28 O22 -","- C77 H96 Cu9 N28 O22 -","- C154 H192 Cu18 N56 O44 -","2","1","","Ji, Bao-Qian; Jagodič, Marko; Ma, Hui-Yan; Su, Hai-Feng; Li, Yun-Wu; Tung, Chen-Ho; Sun, Di","Solution behavior and magnetic properties of a novel nonanuclear copper(ii) cluster","New Journal of Chemistry","2018","42","22","17884","","10.1039/C8NJ04230F","","","0.71073","MoKα","","0.1904","0.0708","","","0.146","0.197","","","","","","1","","","","has coordinates,has disorder","230206","2020-10-21","18:00:00",""
"7057783","12.2513","0.0008","12.3807","0.0009","27.167","0.002","82.994","0.003","89.774","0.002","77.908","0.003","3998.2","0.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H84 Cl3 F6 Mo3 N P4 S7 -","- C74 H84 Cl3 F6 Mo3 N P4 S7 -","- C148 H168 Cl6 F12 Mo6 N2 P8 S14 -","2","1","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem’ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Kompan’kov, Nikolay B.; Manoury, Eric; Poli, Rinaldo; Sheven, Dmitriy G.; Llusar, Rosa; Sokolov, Maxim N.","Hemilability of phosphine-thioether ligands coordinated to trinuclear Mo3S4 cluster and its effect on hydrogenation catalysis","New Journal of Chemistry","2018","42","21","17708","","10.1039/C8NJ03720E","","x-ray","0.71073","MoKα","","0.0742","0.0523","","","0.1288","0.139","","","","","","1.057","","","","has coordinates,has disorder","230517","2020-10-21","18:00:00",""
"7057784","14.068","0.002","17.495","0.003","17.618","0.003","90.424","0.003","105.595","0.003","99.817","0.004","4108.9","1.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C70.2 H100.8 Cl3 F6 Mo3 N0.6 O0 P4 S7 -","- C70.2 H100.8 Cl3 F6 Mo3 N0.6 P4 S7 -","- C140.4 H201.6 Cl6 F12 Mo6 N1.2 P8 S14 -","2","1","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem’ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Kompan’kov, Nikolay B.; Manoury, Eric; Poli, Rinaldo; Sheven, Dmitriy G.; Llusar, Rosa; Sokolov, Maxim N.","Hemilability of phosphine-thioether ligands coordinated to trinuclear Mo3S4 cluster and its effect on hydrogenation catalysis","New Journal of Chemistry","2018","42","21","17708","","10.1039/C8NJ03720E","","x-ray","0.71073","MoKα","","0.1263","0.0933","","","0.2243","0.2547","","","","","","1.035","","","","has coordinates","230517","2020-10-21","18:00:00",""
"7057785","43.9893","0.0015","16.6109","0.0004","24.856","0.0009","90","","115.229","0.002","90","","16429.8","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.55 H84.1 Cl7.1 Mo3 P3 S7 -","- C73.55 H82.6 Cl7.1 Mo3 P3 S7 -","- C588.4 H660.8 Cl56.8 Mo24 P24 S56 -","8","1","","Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem’ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Kompan’kov, Nikolay B.; Manoury, Eric; Poli, Rinaldo; Sheven, Dmitriy G.; Llusar, Rosa; Sokolov, Maxim N.","Hemilability of phosphine-thioether ligands coordinated to trinuclear Mo3S4 cluster and its effect on hydrogenation catalysis","New Journal of Chemistry","2018","42","21","17708","","10.1039/C8NJ03720E","","","0.71073","MoKα","","0.1328","0.0751","","","0.1878","0.2219","","","","","","1.026","","","","has coordinates,has disorder","230517","2020-10-21","18:00:00",""
"7057786","10.7275","0.0005","13.9409","0.0007","16.1945","0.0008","73.661","0.002","81.696","0.002","72.068","0.002","2206.76","0.19","271","2","271.38","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H38 N6 S2 -","- C56 H38 N6 S2 -","- C112 H76 N12 S4 -","2","1","","Peng, Jiang; Zhao, Jinyu; Zheng, Longde; Ye, Kaiqi; Sun, Jingbo; Lu, Ran","H-Bonding and C‒H⋯π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups","New Journal of Chemistry","2018","42","22","18269","","10.1039/C8NJ03510E","","","0.71073","MoKα","","0.0934","0.0472","","","0.1132","0.1431","","","","","","1.03","","","","has coordinates","230213","2020-10-21","18:00:00",""
"7057787","22.5283","0.0007","5.7765","0.0002","19.8649","0.0006","90","","114.852","0.001","90","","2345.72","0.13","196","2","196.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 S -","- C29 H24 N2 S -","- C116 H96 N8 S4 -","4","1","","Peng, Jiang; Zhao, Jinyu; Zheng, Longde; Ye, Kaiqi; Sun, Jingbo; Lu, Ran","H-Bonding and C‒H⋯π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups","New Journal of Chemistry","2018","42","22","18269","","10.1039/C8NJ03510E","","","0.71073","MoKα","","0.0834","0.0499","","","0.1184","0.1347","","","","","","1.051","","","","has coordinates","230213","2020-10-21","18:00:00",""
"7057788","7.8915","0.0003","12.9891","0.0006","13.8662","0.0006","69.849","0.002","89.757","0.002","87.177","0.002","1332.59","0.1","258","2","258.02","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N4 O -","- C32 H30 N4 O -","- C64 H60 N8 O2 -","2","1","","Peng, Jiang; Zhao, Jinyu; Zheng, Longde; Ye, Kaiqi; Sun, Jingbo; Lu, Ran","H-Bonding and C‒H⋯π assisted mechanofluorochromism of triphenylamine-containing vinylheterocycles bearing cyano and methyl groups","New Journal of Chemistry","2018","42","22","18269","","10.1039/C8NJ03510E","","","0.71073","MoKα","","0.0799","0.0465","","","0.1081","0.1253","","","","","","1.048","","","","has coordinates,has disorder","230213","2020-10-21","18:00:00",""
"7057789","18.196","0.019","5.857","0.006","14.535","0.016","90","","128.41","0.02","90","","1214","2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,E)-2-(((1-phenylethyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0461","0.04","","","0.0947","0.0997","","","","","","1.063","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057790","8.05","0.09","6.18","0.07","13.66","0.15","90","","105.7","0.2","90","","654","13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-2,2-difluoro-3-(1-phenylethyl)-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C15 H14 B F2 N O -","- C15 H14 B F2 N O -","- C30 H28 B2 F4 N2 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0682","0.0522","","","0.1222","0.1335","","","","","","1.035","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057791","18.227","0.018","5.852","0.004","14.53","0.02","90","","128.3","0.09","90","","1216","3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","(S,E)-2-(((1-phenylethyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71076","MoKα","","0.0585","0.0453","","","0.1013","0.1118","","","","","","1.125","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057792","7.0179","0.0007","11.9206","0.0011","28.844","0.003","90","","90","","90","","2413","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-benzyl-2,2-difluoro-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C14 H12 B F2 N O -","- C14 H12 B F2 N O -","- C112 H96 B8 F16 N8 O8 -","8","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71073","MoKα","","0.0725","0.0388","","","0.0705","0.0791","","","","","","0.889","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057793","8.1632","0.0011","6.2464","0.0007","13.8361","0.0016","90","","105.594","0.007","90","","679.54","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-2,2-difluoro-3-(1-phenylethyl)-2H-2l4,3l4-benzo[e][1,3,2]oxazaborinine","","- C15 H14 B F2 N O -","- C15 H14 B F2 N O -","- C30 H28 B2 F4 N2 O2 -","2","1","","Vaz, Patrícia A. A. M.; Rocha, João; Silva, Artur M. S.; Guieu, Samuel","Aggregation-induced emission enhancement of chiral boranils","New Journal of Chemistry","2018","42","22","18166","","10.1039/C8NJ03228A","","","0.71073","MoKα","","0.0905","0.061","","","0.1307","0.1466","","","","","","1.051","","","","has coordinates","230205","2020-10-21","18:00:00",""
"7057794","10.9","0.004","10.922","0.005","11.836","0.005","90","","94.186","0.018","90","","1405.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C60 H60 N12 O12 S4 -","4","1","","Mansour, Ahmed M.; Friedrich, Alexandra","IClick cycloaddition reaction of light-triggered manganese(i) carbonyl complexes","New Journal of Chemistry","2018","42","22","18418","","10.1039/C8NJ01838C","","","0.71073","MoKα","","0.0521","0.039","","","0.088","0.0956","","","","","","1.04","","","","has coordinates","230217","2020-10-21","18:00:00",""
"7057795","11.095","0.004","13.234","0.004","14.057","0.007","87.477","0.015","88.554","0.019","87.35","0.02","2059.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 Br2 Mn N3 O3 P -","- C39 H36 Br2 Mn N3 O3 P -","- C78 H72 Br4 Mn2 N6 O6 P2 -","2","1","","Mansour, Ahmed M.; Friedrich, Alexandra","IClick cycloaddition reaction of light-triggered manganese(i) carbonyl complexes","New Journal of Chemistry","2018","42","22","18418","","10.1039/C8NJ01838C","","","0.71073","MoKα","","0.0485","0.04","","","0.0997","0.1032","","","","","","1.037","","","","has coordinates,has disorder","230217","2020-10-21","18:00:00",""
"7057796","8.6568","0.0004","10.2722","0.0005","16.6275","0.0008","90","","93.5349","0.0009","90","","1475.78","0.12","375","2","375","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0716","0.041","","","0.0953","0.1094","","","","","","1.076","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057797","8.4815","0.0004","9.9987","0.0005","16.3984","0.0009","90","","93.131","0.001","90","","1388.57","0.12","175","2","175","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0461","0.0341","","","0.0697","0.0739","","","","","","1.047","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057798","8.6327","0.0005","10.2367","0.0006","16.6049","0.001","90","","93.4981","0.0011","90","","1464.65","0.15","325","2","325","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.072","0.0406","","","0.0894","0.1041","","","","","","1.045","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057799","8.6181","0.0004","10.2163","0.0004","16.5785","0.0007","90","","93.4701","0.0009","90","","1456.98","0.11","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0577","0.0377","","","0.0849","0.093","","","","","","1.057","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057800","8.4649","0.0004","9.9787","0.0005","16.3697","0.0008","90","","93.0951","0.0009","90","","1380.71","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0416","0.0325","","","0.0671","0.0702","","","","","","1.079","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057801","8.5401","0.0005","10.0947","0.0005","16.4597","0.0009","90","","93.2083","0.001","90","","1416.76","0.13","225","2","225","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0585","0.0391","","","0.076","0.0821","","","","","","1.05","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057802","8.6423","0.0004","10.2507","0.0004","16.6132","0.0007","90","","93.5248","0.0009","90","","1468.97","0.11","350","2","350","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0657","0.0408","","","0.09","0.1013","","","","","","1.07","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057803","8.6022","0.0003","10.1941","0.0004","16.5527","0.0006","90","","93.3872","0.0007","90","","1449","0.09","275","2","275","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0475","0.0358","","","0.0812","0.0855","","","","","","1.091","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057804","8.432","0.0006","9.9499","0.0007","16.3484","0.0012","90","","93.1202","0.0014","90","","1369.56","0.17","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0459","0.0362","","","0.0726","0.0754","","","","","","1.035","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057805","8.5815","0.0004","10.1622","0.0005","16.5208","0.0009","90","","93.2926","0.001","90","","1438.35","0.13","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0514","0.0373","","","0.0815","0.087","","","","","","1.07","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057806","8.4368","0.0005","9.9497","0.0006","16.3497","0.001","90","","93.1257","0.0013","90","","1370.41","0.14","50","2","50","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0437","0.0352","","","0.0742","0.0769","","","","","","1.07","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057807","8.4499","0.0006","9.9648","0.0006","16.3673","0.001","90","","93.1342","0.0013","90","","1376.09","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0454","0.0356","","","0.0753","0.0785","","","","","","1.047","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057808","8.4405","0.0005","9.9558","0.0006","16.3563","0.0009","90","","93.127","0.001","90","","1372.41","0.14","75","2","75","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0385","0.032","","","0.0696","0.0719","","","","","","1.091","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057809","8.4971","0.0003","10.024","0.0004","16.411","0.0006","90","","93.165","0.0007","90","","1395.67","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0351","0.0295","","","0.0633","0.0649","","","","","","1.101","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057810","8.5189","0.0007","10.094","0.0008","16.4616","0.0013","90","","93.1989","0.0015","90","","1413.3","0.2","30","2","30","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0523","0.0452","","","0.0922","0.0949","","","","","","1.092","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057811","8.455","0.0006","9.9691","0.0007","16.3559","0.0011","90","","93.0618","0.0013","90","","1376.65","0.17","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0397","0.0321","","","0.0662","0.0687","","","","","","1.075","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057812","8.456","0.0003","9.9693","0.0004","16.357","0.0007","90","","93.0825","0.0007","90","","1376.91","0.09","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Fe(abpt)2(NCSe)2] polymorph A","bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)-bis(isoselenocyanato)-iron(II)","","- C26 H20 Fe N14 Se2 -","- C26 H20 Fe N14 Se2 -","- C52 H40 Fe2 N28 Se4 -","2","0.5","","Mason, Helen E.; Hamilton, Michelle L.; Howard, Judith A. K.; Sparkes, Hazel A.","[Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour","New Journal of Chemistry","2018","42","22","18028","","10.1039/C8NJ03627F","","x-ray","0.71073","MoKα","","0.0384","0.0311","","","0.0655","0.0679","","","","","","1.093","","","","has coordinates","230212","2020-10-21","18:00:00",""
"7057813","8.7498","0.0004","9.316","0.0006","10.2463","0.0006","70.602","0.006","84.715","0.004","68.444","0.006","732.27","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H11 Ag Br N3 O3 S -","- C12 H11 Ag Br N3 O3 S -","- C24 H22 Ag2 Br2 N6 O6 S2 -","2","1","","Barwiolek, Magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Szczesny, Robert; Babinska, Magdalena; Skowronski, Lukasz; Szlyk, Edward","New highly fluorescent silver complexes and their thin films obtained by spin coating method","New Journal of Chemistry","2018","42","23","18559","","10.1039/C8NJ03801E","","","0.71073","MoKα","","0.0449","0.0393","","","0.1079","0.1106","","","","","","1.01","","","","has coordinates","230505","2020-10-21","18:00:00",""
"7057814","8.7674","0.0005","18.611","0.0011","20.4404","0.001","90","","94.806","0.004","90","","3323.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H28 Ag N5 O3 -","- C42 H28 Ag N5 O3 -","- C168 H112 Ag4 N20 O12 -","4","1","","Barwiolek, Magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Szczesny, Robert; Babinska, Magdalena; Skowronski, Lukasz; Szlyk, Edward","New highly fluorescent silver complexes and their thin films obtained by spin coating method","New Journal of Chemistry","2018","42","23","18559","","10.1039/C8NJ03801E","","","0.71073","MoKα","","0.0921","0.0347","","","0.0532","0.0607","","","","","","0.814","","","","has coordinates","230505","2020-10-21","18:00:00",""
"7057815","20.6496","0.0007","9.6086","0.0003","18.6042","0.0006","90","","96.845","0.003","90","","3665","0.2","150","2","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Cu N O P2 S2 -","- C43 H36 Cu N O P2 S2 -","- C172 H144 Cu4 N4 O4 P8 S8 -","4","1","","Singh, Amita; Trivedi, Manoj; Singh, Pooja; Kociok-Köhn, Gabriele; Azad, Uday Pratap; Singh, Ashish Kumar; Kumar, Abhinav","Copper(i) tertiary phosphine xanthate complexes as single source precursors for copper sulfide and their application in the OER","New Journal of Chemistry","2018","42","23","18759","","10.1039/C8NJ03992E","","x-ray","0.71073","MoKα","","0.0646","0.0447","","","0.0866","0.0936","","","","","","1.045","","","","has coordinates","230493","2020-10-21","18:00:00",""
"7057816","10.9194","0.0003","19.8342","0.0004","17.5451","0.0005","90","","105.375","0.003","90","","3663.88","0.17","150","2","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H36 Cu N O P2 S2 -","- C43 H36 Cu N O P2 S2 -","- C172 H144 Cu4 N4 O4 P8 S8 -","4","1","","Singh, Amita; Trivedi, Manoj; Singh, Pooja; Kociok-Köhn, Gabriele; Azad, Uday Pratap; Singh, Ashish Kumar; Kumar, Abhinav","Copper(i) tertiary phosphine xanthate complexes as single source precursors for copper sulfide and their application in the OER","New Journal of Chemistry","2018","42","23","18759","","10.1039/C8NJ03992E","","x-ray","0.71073","MoKα","","0.051","0.0365","","","0.0726","0.0782","","","","","","1.024","","","","has coordinates","230493","2020-10-21","18:00:00",""
"7057817","16.5154","0.0005","9.4839","0.0003","26.1328","0.0008","90","","98.463","0.003","90","","4048.6","0.2","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cl2 Cu N O P2 S2 -","- C44 H38 Cl2 Cu N O P2 S2 -","- C176 H152 Cl8 Cu4 N4 O4 P8 S8 -","4","1","","Singh, Amita; Trivedi, Manoj; Singh, Pooja; Kociok-Köhn, Gabriele; Azad, Uday Pratap; Singh, Ashish Kumar; Kumar, Abhinav","Copper(i) tertiary phosphine xanthate complexes as single source precursors for copper sulfide and their application in the OER","New Journal of Chemistry","2018","42","23","18759","","10.1039/C8NJ03992E","","x-ray","0.71073","MoKα","","0.0535","0.0386","","","0.0767","0.0823","","","","","","1.08","","","","has coordinates","230493","2020-10-21","18:00:00",""
"7057818","17.1171","0.0008","20.3908","0.001","23.5026","0.0012","110.327","0.002","93.328","0.002","109.82","0.002","7091.4","0.6","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H150 Dy4 N14 O16 -","- C144 H150 Dy4 N14 O16 -","- C288 H300 Dy8 N28 O32 -","2","1","","Zhang, Ya-Xin; Zhang, Yue-Hua; Liu, Bi-Ying; Wang, Wen-Min; Tang, Gong-Ping; Wei, Hai-Ying; Wu, Zhi-Lei","Synthesis, luminescence and magnetic properties of tetranuclear lanthanide-based (Eu4, Gd4 and Dy4) clusters","New Journal of Chemistry","2018","42","22","18305","","10.1039/C8NJ04226H","","","0.71073","MoKα","","0.0992","0.0525","","","0.1265","0.1527","","","","","","1.024","","","","has coordinates","230210","2020-10-21","18:00:00",""
"7057819","17.3686","0.0007","20.3861","0.0008","23.5088","0.001","110.163","0.0018","93.286","0.002","109.967","0.0017","7198.2","0.5","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C142 H147 Eu4 N13 O16 -","- C142 H147 Eu4 N13 O16 -","- C284 H294 Eu8 N26 O32 -","2","1","","Zhang, Ya-Xin; Zhang, Yue-Hua; Liu, Bi-Ying; Wang, Wen-Min; Tang, Gong-Ping; Wei, Hai-Ying; Wu, Zhi-Lei","Synthesis, luminescence and magnetic properties of tetranuclear lanthanide-based (Eu4, Gd4 and Dy4) clusters","New Journal of Chemistry","2018","42","22","18305","","10.1039/C8NJ04226H","","","0.71073","MoKα","","0.1309","0.0729","","","0.1476","0.1844","","","","","","1.045","","","","has coordinates,has disorder","230210","2020-10-21","18:00:00",""
"7057820","17.2276","0.001","20.3466","0.0011","23.4504","0.0011","110.362","0.002","93.259","0.002","109.829","0.002","7105.4","0.7","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C144 H150 Gd4 N14 O16 -","- C144 H150 Gd4 N14 O16 -","- C288 H300 Gd8 N28 O32 -","2","1","","Zhang, Ya-Xin; Zhang, Yue-Hua; Liu, Bi-Ying; Wang, Wen-Min; Tang, Gong-Ping; Wei, Hai-Ying; Wu, Zhi-Lei","Synthesis, luminescence and magnetic properties of tetranuclear lanthanide-based (Eu4, Gd4 and Dy4) clusters","New Journal of Chemistry","2018","42","22","18305","","10.1039/C8NJ04226H","","","0.71073","MoKα","","0.1026","0.0536","","","0.1292","0.1586","","","","","","1.039","","","","has coordinates,has disorder","230210","2020-10-21","18:00:00",""
"7057821","7.875","0.0001","34.3134","0.0005","13.7389","0.0002","90","","101.237","0.001","90","","3641.33","0.09","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F3 N -","- C26 H14 F3 N -","- C208 H112 F24 N8 -","8","2","","Katla, Jagadish; Ojha, Abhijeet; Nair, Akshay J. M.; Rangan, Krishnan; Kanvah, Sriram","Photophysical studies of pyrenyl cyanostyrenes: effect of trifluoromethyl substitution on gelation","New Journal of Chemistry","2018","42","22","18297","","10.1039/C8NJ04146F","","x-ray","1.54184","CuKα","","0.0376","0.0362","","","0.1037","0.1048","","","","","","1.07","","","","has coordinates","230209","2020-10-21","18:00:00",""
"7057822","8.9151","0.0002","13.3283","0.0003","33.8692","0.0007","90","","90","","90","","4024.44","0.15","93","2","93","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H13 F6 N -","- C27 H13 F6 N -","- C216 H104 F48 N8 -","8","1","","Katla, Jagadish; Ojha, Abhijeet; Nair, Akshay J. M.; Rangan, Krishnan; Kanvah, Sriram","Photophysical studies of pyrenyl cyanostyrenes: effect of trifluoromethyl substitution on gelation","New Journal of Chemistry","2018","42","22","18297","","10.1039/C8NJ04146F","","x-ray","1.54184","CuKα","","0.0849","0.0776","","","0.2186","0.2251","","","","","","1.083","","","","has coordinates","230209","2020-10-21","18:00:00",""
"7057823","9.0019","0.0003","10.3208","0.0003","25.8409","0.0009","90","","94.137","0.003","90","","2394.54","0.14","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N6 O4 Pd S2 -","- C20 H23 Cl N6 O4 Pd S2 -","- C80 H92 Cl4 N24 O16 Pd4 S8 -","4","1","","Shanmugapriya, A.; Dallemer, F.; Prabhakaran, R.","Synthesis, characterisation, crystal structures and biological studies of palladium(ii) complexes containing 5-(2-hydroxy-3-methoxy-phenyl)-2,4-dihydro[1,2,4]triazole-3-thione derivatives","New Journal of Chemistry","2018","42","23","18850","","10.1039/C8NJ03714K","","x-ray","0.71073","MoKα","","0.072","0.0403","","","0.0647","0.0729","","","","","","1.035","","","","has coordinates","230495","2020-10-21","18:00:00",""
"7057824","12.8865","0.0001","13.4398","0.0002","19.025","0.0003","74.731","0.001","87.455","0.001","84.536","0.001","3163.58","0.07","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 Cl N12 O8 Pd2 S4 -","- C60 H52 Cl N12 O8 Pd2 S4 -","- C120 H104 Cl2 N24 O16 Pd4 S8 -","2","1","","Shanmugapriya, A.; Dallemer, F.; Prabhakaran, R.","Synthesis, characterisation, crystal structures and biological studies of palladium(ii) complexes containing 5-(2-hydroxy-3-methoxy-phenyl)-2,4-dihydro[1,2,4]triazole-3-thione derivatives","New Journal of Chemistry","2018","42","23","18850","","10.1039/C8NJ03714K","","x-ray","0.71073","MoKα","","0.0382","0.0331","","","0.0827","0.0871","","","","","","1.064","","","","has coordinates","230495","2020-10-21","18:00:00",""
"7057825","32.7017","0.0017","54.218","0.003","23.843","0.002","90","","132.251","0.001","90","","31292","4","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Zn-BCTA","","- C64 H46 N4 O15 S4 Zn4 -","- C64 H46 N4 O15 S4 Zn4 -","- C512 H368 N32 O120 S32 Zn32 -","8","1","","Zhang, Tiexin; Shi, Yusheng; Zhang, Sen; Jia, Chen; He, Cheng; Duan, Chunying","Thiophene insertion for continuous modulation of the photoelectronic properties of triphenylamine-based metal‒organic frameworks for photocatalytic sulfonylation‒cyclisation of activated alkenes","New Journal of Chemistry","2018","42","22","18448","","10.1039/C8NJ04151B","","","0.71073","MoKα","","0.0878","0.0473","","","0.1302","0.1438","","","","","","1.018","","","","has coordinates,has disorder","230208","2020-10-21","18:00:00",""
"7057826","6.596","0.005","8.066","0.005","24.761","0.005","90","","90","","90","","1317.4","1.3","150","0.14","150","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'aR,6'R,6'aR,7R)-2',2'-dimethyl-octahydro-3'aH-spiro[[1,2,3]triazolo[4,3-c][1,4]oxazine-7,4'-furo[3,4-d][1,3]dioxol]-6'-ylmethanol","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Cobb, Alexander J. A.; Dell’Isola, Antonio; Abdulsattar, Ban O.; McLachlan, Matthew M. W.; Neuman, Benjamin W.; Müller, Christin; Shankland, Kenneth; Al-Mulla, Hawaa M. N.; Binks, Alexander W. D.; Elvidge, Warren","Synthesis and antiviral activity of novel spirocyclic nucleosides","New Journal of Chemistry","2018","42","22","18363","","10.1039/C8NJ02777C","","","0.71073","MoKα","","0.0514","0.0427","","","0.0779","0.0816","","","","","","1.091","","","","has coordinates","230215","2020-10-21","18:00:00",""
"7057827","13.1956","0.0003","5.6323","0.0002","20.3477","0.0005","90","","91.524","0.002","90","","1511.74","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","((6R,7S,8R)-7,8-dihydroxy-6-(hydroxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl)(λ^3^-oxidaneylidyne)(p-tolyl)-λ^7^-sulfanone","","- C14 H19 N O6 S -","- C14 H19 N O6 S -","- C56 H76 N4 O24 S4 -","4","2","","Cobb, Alexander J. A.; Dell’Isola, Antonio; Abdulsattar, Ban O.; McLachlan, Matthew M. W.; Neuman, Benjamin W.; Müller, Christin; Shankland, Kenneth; Al-Mulla, Hawaa M. N.; Binks, Alexander W. D.; Elvidge, Warren","Synthesis and antiviral activity of novel spirocyclic nucleosides","New Journal of Chemistry","2018","42","22","18363","","10.1039/C8NJ02777C","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.1405","0.1497","","","","","","1.069","","","","has coordinates","230215","2020-10-21","18:00:00",""
"7057828","9.7312","0.0006","10.785","0.0003","4.8799","0.0003","90","","90","","90","","512.15","0.05","293","","293","","","","","","","","","6","P 21 m a","P -2a 2a","26","","CoSO4(MXDA)","","- C8 H12 Co N2 O4 S -","- C8 H12 Co N2 O4 S -","- C16 H24 Co2 N4 O8 S2 -","2","0.5","","Luberda-Durnaś, K.; Konieczny, P.; Pełka, R.; Oszajca, M.; Gonzalez Guillen, A.; Korecki, J.; Ciesielska, Z.; Łasocha, W.","Two-step magnetic transition in hybrid organic‒inorganic materials of the (m-xylylenediamine)MeSO4 (Me ‒ Mn, Fe, Co, Ni) type","New Journal of Chemistry","2018","42","22","18225","","10.1039/C8NJ04036B","powder diffraction","x-ray","1.5418","CuKα","","0.0552","0.055","","0.0632","0.0632","","","","2.56","","","","","","","has coordinates","230207","2020-10-21","18:00:00",""
"7057829","9.8032","0.0007","10.9845","0.0006","4.9528","0.0003","90","","90","","90","","533.33","0.06","293","","293","","","","","","","","","6","P 21 m a","P -2a 2a","26","","MnSO4(MXDA)","","- C8 H12 Mn N2 O4 S -","- C8 H12 Mn N2 O4 S -","- C16 H24 Mn2 N4 O8 S2 -","2","0.5","","Luberda-Durnaś, K.; Konieczny, P.; Pełka, R.; Oszajca, M.; Gonzalez Guillen, A.; Korecki, J.; Ciesielska, Z.; Łasocha, W.","Two-step magnetic transition in hybrid organic‒inorganic materials of the (m-xylylenediamine)MeSO4 (Me ‒ Mn, Fe, Co, Ni) type","New Journal of Chemistry","2018","42","22","18225","","10.1039/C8NJ04036B","powder diffraction","x-ray","1.5418","CuKα","","0.0509","0.0496","","0.0596","0.0595","","","","2.41","","","","","","","has coordinates","230207","2020-10-21","18:00:00",""
"7057830","9.6973","0.0004","10.6875","0.0003","4.8399","0.0003","90","","90","","90","","501.61","0.04","293","","293","","","","","","","","","6","P 21 m a","P -2a 2a","26","","NiSO4(MXDA)","","- C8 H12 N2 Ni O4 S -","- C8 H12 N2 Ni O4 S -","- C16 H24 N4 Ni2 O8 S2 -","2","0.5","","Luberda-Durnaś, K.; Konieczny, P.; Pełka, R.; Oszajca, M.; Gonzalez Guillen, A.; Korecki, J.; Ciesielska, Z.; Łasocha, W.","Two-step magnetic transition in hybrid organic‒inorganic materials of the (m-xylylenediamine)MeSO4 (Me ‒ Mn, Fe, Co, Ni) type","New Journal of Chemistry","2018","42","22","18225","","10.1039/C8NJ04036B","powder diffraction","x-ray","1.5418","CuKα","","0.0921","0.0921","","0.1114","0.1114","","","","8.83","","","","","","","has coordinates","230207","2020-10-21","18:00:00",""
"7057831","9.76","0.002","10.8769","0.001","4.9043","0.0009","90","","90","","90","","520.63","0.15","293","","293","","","","","","","","","6","P 21 m a","P -2a 2a","26","","FeSO4(MXDA)","","- C8 H12 Fe N2 O4 S -","- C8 H12 Fe N2 O4 S -","- C16 H24 Fe2 N4 O8 S2 -","2","0.5","","Luberda-Durnaś, K.; Konieczny, P.; Pełka, R.; Oszajca, M.; Gonzalez Guillen, A.; Korecki, J.; Ciesielska, Z.; Łasocha, W.","Two-step magnetic transition in hybrid organic‒inorganic materials of the (m-xylylenediamine)MeSO4 (Me ‒ Mn, Fe, Co, Ni) type","New Journal of Chemistry","2018","42","22","18225","","10.1039/C8NJ04036B","powder diffraction","x-ray","1.5418","CuKα","","0.1119","0.1045","","0.1112","0.1098","","","","1.25","","","","","","","has coordinates","230207","2020-10-21","18:00:00",""
"7057832","40.075","0.004","11.2313","0.0007","25.162","0.003","90","","116.78","0.007","90","","10110.6","1.8","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Br4 N4 S4 -","- C48 H60 Br4 N4 S4 -","- C384 H480 Br32 N32 S32 -","8","1","","Li, Yongchun; Meng, Huifeng; Li, Yuqing; Pang, Bo; Luo, Genggeng; Huang, Jianhua","Adjusting the energy levels and bandgaps of conjugated polymers via Lewis acid‒base reactions","New Journal of Chemistry","2018","42","23","18961","","10.1039/C8NJ04453H","","","0.71073","MoKα","","0.1422","0.0649","","","0.144","0.1907","","","","","","0.885","","","","has coordinates","230500","2020-10-21","18:00:00",""
"7057833","38.585","0.002","6.8672","0.0004","18.7605","0.0012","90","","90","","90","","4971","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","DACSC","","- C24 H29 Cl N2 O5 S -","- C24 H25 Cl N2 O5 S -","- C192 H200 Cl8 N16 O40 S8 -","8","2","","Sundaram, S. John; Ramaclus, Jerald V.; Antony, Priya; Jaccob, M.; Sagayaraj, P.","Synthesis, growth and characterization of a new acentric 4-[4-(4-dimethylamino-phenyl)buta-1,3-dienyl]-1-methyl pyridinium p-chlorobenzenesulfonate dihydrate crystal for nonlinear optical applications","New Journal of Chemistry","2018","42","23","18865","","10.1039/C8NJ03261K","","","0.71073","MoKα","","0.1103","0.0874","","","0.2183","0.2444","","","","","","1.107","","","","has coordinates","230503","2020-10-21","18:00:00",""
"7057834","9.2068","0.0003","13.8551","0.0005","15.2249","0.0005","85.908","0.002","84.775","0.002","81.762","0.002","1910.73","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Mn-LY2","","","- C38 H30 F6 Mn N5 O6.5 S2 -","- C38 H30 F6 Mn N5 O6.5 S2 -","- C76 H60 F12 Mn2 N10 O13 S4 -","2","1","","Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W.","High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties","New Journal of Chemistry","2018","42","23","18667","","10.1039/C8NJ02072H","","","0.71073","MoKα","","0.0417","0.0371","","","0.0861","0.0897","","","","","","1.09","","","","has coordinates,has disorder","230502","2020-10-21","18:00:00",""
"7057835","9.1905","0.0005","13.9412","0.0009","15.1233","0.0009","86.292","0.002","83.904","0.003","80.749","0.003","1899.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","LY-23-Co","","","- C38 H30 Co F6 N5 O6.5 S2 -","- C38 H30 Co F6 N5 O6.5 S2 -","- C76 H60 Co2 F12 N10 O13 S4 -","2","1","","Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W.","High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties","New Journal of Chemistry","2018","42","23","18667","","10.1039/C8NJ02072H","","","0.71073","MoKα","","0.0641","0.0577","","","0.1431","0.1464","","","","","","1.159","","","","has coordinates,has disorder","230502","2020-10-21","18:00:00",""
"7057836","8.8345","0.0003","13.4052","0.0004","14.4981","0.0005","88.564","0.001","89.004","0.001","88.179","0.002","1715.34","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","LZC-22-Ni","","","- C36 H28 Cl2 N6 Ni O8 -","- C36 H28 Cl2 N6 Ni O8 -","- C72 H56 Cl4 N12 Ni2 O16 -","2","1","","Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W.","High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties","New Journal of Chemistry","2018","42","23","18667","","10.1039/C8NJ02072H","","","0.71073","MoKα","","0.0252","0.0248","","","0.0682","0.0685","","","","","","1.029","","","","has coordinates","230502","2020-10-21","18:00:00",""
"7057837","9.1892","0.0002","13.9385","0.0003","15.1654","0.0003","86.123","0.001","84.035","0.001","81.059","0.001","1905.83","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 F6 Fe N5 O6.5 S2 -","- C38 H30 F6 Fe N5 O6.5 S2 -","- C76 H60 F12 Fe2 N10 O13 S4 -","2","1","","Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W.","High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties","New Journal of Chemistry","2018","42","23","18667","","10.1039/C8NJ02072H","","","0.71073","MoKα","","0.0288","0.027","","","0.073","0.0745","","","","","","0.949","","","","has coordinates,has disorder","230502","2020-10-21","18:00:00",""
"7057838","9.014","0.005","13.854","0.005","14.96","0.005","86.65","0.005","87.807","0.005","80.338","0.005","1837.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H22 F6 N4 O6 S2 Zn -","- C34 H22 F6 N4 O6 S2 Zn -","- C68 H44 F12 N8 O12 S4 Zn2 -","2","1","","Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W.","High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties","New Journal of Chemistry","2018","42","23","18667","","10.1039/C8NJ02072H","","","0.71073","MoKα","","0.0445","0.0414","","","0.1075","0.11","","","","","","1.047","","","","has coordinates,has disorder","230502","2020-10-21","18:00:00",""
"7057839","16.3021","0.0012","8.0165","0.0006","20.5586","0.0014","90","","103.284","0.004","90","","2614.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 -","- C16 H14 N4 -","- C128 H112 N32 -","8","1","","Bouchemella, Khadidja; Fauché, Kévin; Anak, Barkahem; Jouffret, Laurent; Bencharif, Mustapha; Cisnetti, Federico","Click 1,2,3-triazole derived fluorescent scaffold by mesoionic carbene‒nitrene cyclization: an experimental and theoretical study","New Journal of Chemistry","2018","42","23","18969","","10.1039/C8NJ04070B","","","0.71073","MoKα","","0.1235","0.0501","","","0.103","0.129","","","","","","1.002","","","","has coordinates","230498","2020-10-21","18:00:00",""
"7057840","7.2687","0.0011","16.155","0.002","9.6235","0.0013","90","","108.315","0.01","90","","1072.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Sharma, Kumud; Das, Babulal; Gogoi, Pranjal","Synthesis of pyrrolo[3,4-c]quinoline-1,3-diones: a sequential oxidative annulation followed by dehydrogenation and N-demethylation strategy","New Journal of Chemistry","2018","42","23","18894","","10.1039/C8NJ04443K","","","0.71073","MoKα","","0.0638","0.0461","","","0.1182","0.1303","","","","","","1.064","","","","has coordinates","230494","2020-10-21","18:00:00",""
"7057841","7.7436","0.001","7.0456","0.0009","11.7412","0.0015","90","","92.74","0.004","90","","639.85","0.14","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H24 Br0.75 Cl5.25 Cr2 N4 O0 -","- C18 H24 Br0.746 Cl5.254 Cr2 N4 -","- C18 H24 Br0.746 Cl5.254 Cr2 N4 -","1","0.5","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0974","0.0721","","","0.191","0.2033","","","","","","1.074","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057842","9.384","0.0006","14.9768","0.001","14.9659","0.001","90","","92.549","0.002","90","","2101.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl2 Cr N2 -","- C23 H23 Cl2 Cr N2 -","- C92 H92 Cl8 Cr4 N8 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0849","0.0446","","","0.1256","0.1419","","","","","","0.904","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057843","9.92","0.004","14.406","0.006","14.898","0.006","90","","90","","90","","2129","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br0.76 Cl1.24 Cr N2 -","- C23 H23 Br0.766 Cl1.234 Cr N2 -","- C92 H92 Br3.064 Cl4.936 Cr4 N8 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0616","0.0473","","","0.1083","0.1155","","","","","","1.059","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057844","11.578","0.003","20.917","0.005","16.763","0.004","90","","91.965","0.005","90","","4057.2","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br0.636 Cl1.364 Cr N2 -","- C22 H21 Br0.6365 Cl1.3635 Cr N2 -","- C176 H168 Br5.092 Cl10.908 Cr8 N16 -","8","2","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.1948","0.0781","","","0.1232","0.1541","","","","","","1.062","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057845","9.927","0.001","14.6703","0.0014","15.1733","0.0016","90","","90","","90","","2209.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br0.65 Cl1.35 Cr N2 -","- C24 H25 Br0.648 Cl1.352 Cr N2 -","- C96 H100 Br2.592 Cl5.408 Cr4 N8 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0232","0.0211","","","0.0474","0.0481","","","","","","1.055","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057846","7.8759","0.0005","16.9413","0.0011","25.1308","0.0016","90","","90","","90","","3353.2","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br0.268 Cl1.733 Cr N2 -","- C17 H19 Br0.267 Cl1.733 Cr N2 -","- C136 H152 Br2.136 Cl13.864 Cr8 N16 -","8","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0802","0.0607","","","0.1231","0.1322","","","","","","1.125","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057847","15.0907","0.0009","15.2326","0.0009","18.8918","0.0011","80.9942","0.0009","83.7204","0.001","75.2446","0.0009","4136.7","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","- C48 H56 As6 Cu4 Mo36 N32 Na2 O128 -","1","0.5","","Meng, Fan-xue; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Zhou, Bai-bin","Long rigid ligand induced basket-type phosphomolybdate photo-/electro-catalytic materials","New Journal of Chemistry","2018","42","24","19528","","10.1039/C8NJ04375B","","","0.71","MoKα","","0.082","0.0757","","","0.1037","0.1251","","","","","","1.093","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7057848","15.272","0.0004","16.6739","0.0004","23.3482","0.0006","87.304","0.001","74.408","0.001","66.152","0.001","5224.9","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H54 Fe0.5 Mo18 N15 Na0.5 O79.5 P6 Sr -","- C45 H54 Fe0.5 Mo18 N15 Na0.5 O79.5 P6 Sr -","- C90 H108 Fe Mo36 N30 Na O159 P12 Sr2 -","2","1","","Meng, Fan-xue; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Zhou, Bai-bin","Long rigid ligand induced basket-type phosphomolybdate photo-/electro-catalytic materials","New Journal of Chemistry","2018","42","24","19528","","10.1039/C8NJ04375B","","","0.71073","MoKα","","0.058","0.0421","","","0.0986","0.107","","","","","","1.063","","","","has coordinates","230176","2020-10-21","18:00:00",""
"7057849","9.4221","0.001","12.9875","0.0012","13.6802","0.0013","83.836","0.008","70.603","0.009","70.406","0.009","1487.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N7 O3 -","- C27 H30 Cl3 N7 O3 -","- C54 H60 Cl6 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.068","0.0513","","","0.1265","0.1458","","","","","","1.039","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057850","9.618","0.005","13.244","0.006","13.946","0.007","84.13","0.03","72.77","0.03","69.73","0.03","1591.7","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 I3 N7 O3 -","- C27 H30 I3 N7 O3 -","- C54 H60 I6 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.0852","0.0652","","","0.1979","0.228","","","","","","1.069","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057851","17.7358","0.0005","20.8986","0.0009","23.8529","0.0009","90","","99.333","0.003","90","","8724.1","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H60 I6 N14 O11 -","- C55 H60 I6 N14 O11 -","- C220 H240 I24 N56 O44 -","4","0.5","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.0983","0.0582","","","0.1853","0.2093","","","","","","1.039","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057852","9.464","0.002","13.104","0.003","13.846","0.003","83.33","0.014","70.953","0.014","70.07","0.014","1525.9","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Br3 N7 O3 -","- C27 H30 Br3 N7 O3 -","- C54 H60 Br6 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.157","0.0665","","","0.169","0.2228","","","","","","1.129","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057853","17.951","0.0008","21.3843","0.0009","26.2654","0.0009","90","","97.717","0.004","90","","9991.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H132 Cl6 N16 O11 S -","- C86 H132 Cl6 N16 O11 S -","- C344 H528 Cl24 N64 O44 S4 -","4","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.1816","0.0771","","","0.177","0.2433","","","","","","0.974","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057854","9.2062","0.0017","23.534","0.004","25.684","0.005","113.443","0.006","90.877","0.007","94.305","0.006","5084.7","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H66 F I3 N8 O3 -","- C43 H66 F I3 N8 O3 -","- C172 H264 F4 I12 N32 O12 -","4","2","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.1448","0.0763","","","0.1973","0.2306","","","","","","1.173","","","","has coordinates,has disorder","230501","2020-10-21","18:00:00",""
"7057855","23.7562","0.0016","9.1238","0.0003","25.2435","0.0016","90","","116.95","0.008","90","","4877.3","0.6","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C43 H66 Cl3 F N8 O3 -","- C43 H66 Cl3 F N8 O3 -","- C172 H264 Cl12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.1353","0.0744","","","0.1854","0.2284","","","","","","1.056","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057856","17.3616","0.0009","20.7181","0.0015","23.5639","0.0015","90","","98.846","0.005","90","","8375.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H100 Br6 N16 O9 -","- C71 H100 Br6 N16 O9 -","- C284 H400 Br24 N64 O36 -","4","0.5","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.2997","0.0921","","","0.1787","0.241","","","","","","1.052","","","","has coordinates,has disorder","230501","2020-10-21","18:00:00",""
"7057857","9.124","0.005","20.617","0.011","26.103","0.014","90","","90.927","0.007","90","","4910","5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H66 Br3 F N8 O3 -","- C43 H66 Br3 F N8 O3 -","- C172 H264 Br12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.2043","0.0564","","","0.1375","0.2099","","","","","","0.937","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057858","18.049","0.0006","21.7263","0.0006","28.4345","0.001","90","","107.237","0.003","90","","10649.5","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86 H132 I6 N16 O10 S -","- C86 H132 I6 N16 O10 S -","- C344 H528 I24 N64 O40 S4 -","4","2","","Manna, Utsab; Das, Gopal","Neutral host‒guest capsular associations by a homologous halophenyl-substituted organic tris-urea receptor series: solid and solution state studies","New Journal of Chemistry","2018","42","23","19164","","10.1039/C8NJ04457K","","","0.71073","MoKα","","0.1184","0.062","","","0.1552","0.1893","","","","","","0.906","","","","has coordinates","230501","2020-10-21","18:00:00",""
"7057859","13.8678","0.001","13.8895","0.001","8.334","0.0006","90","","90","","90","","1605.3","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Patra, Lakshman; Das, Sangita; Gharami, Saswati; Aich, Krishnendu; Mondal, Tapan Kumar","A new multi-analyte fluorogenic sensor for efficient detection of Al3+and Zn2+ions based on ESIPT and CHEF features","New Journal of Chemistry","2018","42","23","19076","","10.1039/C8NJ03191F","","","0.71073","MoKα","","0.0739","0.0493","","","0.1184","0.1314","","","","","","0.995","","","","has coordinates","230499","2020-10-21","18:00:00",""
"7057860","21.534","0.003","21.534","0.003","15.908","0.003","90","","90","","90","","7377","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H9 Eu N0 O8 -","- C16 H9 Eu O8 -","- C256 H144 Eu16 O128 -","16","1","","Tao, Yufang; Zhang, Ping; Liu, Junning; Chen, Xiaodong; Guo, Xiuli; Jin, Haoqing; Chai, Juan; Wang, Li; Fan, Yong","Multi-responsive luminescent sensor based on three dimensional lanthanide metal‒organic framework","New Journal of Chemistry","2018","42","24","19485","","10.1039/C8NJ04601H","","","0.71073","MoKα","","0.0337","0.0291","","","0.0664","0.0682","","","","","","1.074","","","","has coordinates","230178","2020-10-21","18:00:00",""
"7057861","6.4939","0.0003","13.2876","0.0006","14.9655","0.0007","90","","92.9591","0.0012","90","","1289.63","0.1","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(RS)-deschloroketamine","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","1","","Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal","Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic","New Journal of Chemistry","2018","42","24","19360","","10.1039/C8NJ03107J","","","1.54178","CuKα","","0.0384","0.0378","","0.0895","0.0892","0.0895","","","","","","0.9535","","","","has coordinates","230171","2020-10-21","18:00:00",""
"7057862","6.5215","0.0003","13.1197","0.0005","15.0635","0.0006","90","","91.4163","0.0008","90","","1288.44","0.09","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-deschloroketamine","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","2","","Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal","Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic","New Journal of Chemistry","2018","42","24","19360","","10.1039/C8NJ03107J","","","1.54178","CuKα","","0.0253","0.0251","","0.0677","0.0676","0.0677","","","","","","0.9997","","","","has coordinates","230171","2020-10-21","18:00:00",""
"7057863","6.5245","0.0003","13.124","0.0005","15.065","0.0006","90","","91.441","0.001","90","","1289.57","0.09","180","","180","","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-deschloroketamine","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","2","","Jurásek, Bronislav; Králík, František; Rimpelová, Silvie; Čejka, Jan; Setnička, Vladimír; Ruml, Tomáš; Kuchař, Martin; Kohout, Michal","Synthesis, absolute configuration and in vitro cytotoxicity of deschloroketamine enantiomers: rediscovered and abused dissociative anaesthetic","New Journal of Chemistry","2018","42","24","19360","","10.1039/C8NJ03107J","","","1.54178","CuKα","","0.0266","0.0261","","0.0698","0.0689","0.0698","","","","","","0.9997","","","","has coordinates","230171","2020-10-21","18:00:00",""
"7057864","10.518","0.0003","25.1402","0.0005","11.033","0.0003","90","","110.479","0.003","90","","2733.02","0.13","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H56 Fe2 Mo2 N4 Na6 O46 -","- C24 H56 Fe2 Mo2 N4 Na6 O46 -","- C48 H112 Fe4 Mo4 N8 Na12 O92 -","2","0.5","","Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui","Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption","New Journal of Chemistry","2018","42","23","18526","","10.1039/C8NJ03475C","","x-ray","0.71073","MoKα","","0.0488","0.0424","","","0.1004","0.1041","","","","","","1.022","","","","has coordinates","230496","2020-10-21","18:00:00",""
"7057865","9.7754","0.0002","9.7754","0.0002","13.7948","0.0004","90","","90","","90","","1318.21","0.05","173","","173","","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C32 H40 Fe8 Mo2 N8 O40 -","- C32 H40 Fe8 Mo2 N8 O40 -","- C32 H40 Fe8 Mo2 N8 O40 -","1","0.0625","","Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui","Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption","New Journal of Chemistry","2018","42","23","18526","","10.1039/C8NJ03475C","","x-ray","0.71073","MoKα","","0.0607","0.06","","","0.1379","0.1384","","","","","","1.335","","","","has coordinates","230496","2020-10-21","18:00:00",""
"7057866","15.5265","0.0007","11.033","0.0006","16.5498","0.001","90","","107.693","0.006","90","","2700.9","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Cr2 Mo2 N4 Na6 O46 -","- C24 H52 Cr2 Mo2 N4 Na6 O46 -","- C48 H104 Cr4 Mo4 N8 Na12 O92 -","2","0.5","","Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui","Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption","New Journal of Chemistry","2018","42","23","18526","","10.1039/C8NJ03475C","","x-ray","0.71073","MoKα","","0.0715","0.0629","","","0.1669","0.1725","","","","","","1.145","","","","has coordinates","230496","2020-10-21","18:00:00",""
"7057867","15.4271","0.0004","11.0633","0.0002","16.3607","0.0003","90","","107.399","0.002","90","","2664.59","0.1","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Al2 Mo2 N4 Na6 O46 -","- C24 H56 Al2 Mo2 N4 Na6 O46 -","- C48 H112 Al4 Mo4 N8 Na12 O92 -","2","0.5","","Wang, Si-Yuan; Dong, Xin; Chen, Jun-Fei; Zhou, Zhao-Hui","Iron molybdenum nitrilotriacetate and iminodiacetate ‒ spectroscopy, structural characterization and CO2 adsorption","New Journal of Chemistry","2018","42","23","18526","","10.1039/C8NJ03475C","","x-ray","0.71073","MoKα","","0.0604","0.0513","","","0.1283","0.135","","","","","","1.048","","","","has coordinates","230496","2020-10-21","18:00:00",""
"7057868","8.802","0.002","9.701","0.002","13.814","0.003","103.683","0.008","90.251","0.009","107.23","0.008","1091.1","0.4","298","2","298.5","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H3 Cu F16 N4 -","- C18 H3 Cu F16 N4 -","- C36 H6 Cu2 F32 N8 -","2","1","","Ponduru, Tharun T.; Qiu, Changling; Mao, James X.; Leghissa, Allegra; Smuts, Jonathan; Schug, Kevin A.; Dias, H. V. Rasika","Copper(i)-based oxidation of polycyclic aromatic hydrocarbons and product elucidation using vacuum ultraviolet spectroscopy and theoretical spectral calculations","New Journal of Chemistry","2018","42","24","19442","","10.1039/C8NJ04740E","","","0.71073","MoKα","","0.0561","0.0424","","","0.1266","0.1376","","","","","","1.046","","","","has coordinates","230167","2020-10-21","18:00:00",""
"7057869","32.2276","0.0007","32.2276","0.0007","13.8386","0.0003","90","","90","","120","","12447.4","0.5","298","2","298.15","","","","","","","","","5","R -3","-R 3","148","","","","- C44 H60 Co4 N16 O8 -","- C44 H60 Co4 N16 O8 -","- C396 H540 Co36 N144 O72 -","9","","","Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh","Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity","New Journal of Chemistry","2018","","","","","10.1039/C8NJ04750B","","","0.71073","MoKα","","0.0518","0.0435","","","0.1287","0.1406","","","","","","1.074","","","","has coordinates,has disorder","211719","2020-10-21","18:00:00",""
"7057870","10.8554","0.0006","19.3089","0.001","13.0765","0.0007","90","","90.839","0.003","90","","2740.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 Co4 N8 O10 Se2 -","- C50 H68 Co4 N8 O10 Se2 -","- C100 H136 Co8 N16 O20 Se4 -","2","0.5","","Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh","Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity","New Journal of Chemistry","2018","","","","","10.1039/C8NJ04750B","","","0.71073","MoKα","","0.0676","0.0439","","","0.1274","0.1477","","","","","","1.045","","","","has coordinates","211719","2020-10-21","18:00:00",""
"7057871","10.494","0.003","13.481","0.003","22.38","0.005","90","","100.166","0.01","90","","3116.4","1.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Co4 N10 O10 S2 -","- C54 H74 Co4 N10 O10 S2 -","- C108 H148 Co8 N20 O20 S4 -","2","0.5","","Das, Avijit; Goswami, Soumyabrata; Ghosh, Ashutosh","Rare azido and hydroxido bridged tetranuclear Co(II) complexes of a polynucleating Mannich base ligand with defect dicubane core: Structures, magnetism and phenoxazinone synthase like activity","New Journal of Chemistry","2018","","","","","10.1039/C8NJ04750B","","","0.71073","MoKα","","0.0645","0.0431","","","0.1267","0.1416","","","","","","0.987","","","","has coordinates","211719","2020-10-21","18:00:00",""
"7057872","16.0673","0.0008","15.0517","0.0006","29.044","0.0014","90","","104.175","0.002","90","","6810.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H48 Fe N6 O10 -","- C75 H48 Fe N6 O10 -","- C300 H192 Fe4 N24 O40 -","4","1","","Hanana, Manel; Arcostanzo, Hélène; Das, Pradip K.; Bouget, Morgane; Le Gac, Stéphane; Okuno, Hanako; Cornut, Renaud; Jousselme, Bruno; Dorcet, Vincent; Boitrel, Bernard; Campidelli, Stéphane","Synergic effect on oxygen reduction reaction of strapped iron porphyrins polymerized around carbon nanotubes","New Journal of Chemistry","2018","42","24","19749","","10.1039/C8NJ04516J","","x-ray","0.71073","MoKα","","0.1747","0.1065","","","0.2756","0.3234","","","","","","1.018","","","","has coordinates,has disorder","230165","2020-10-21","18:00:00",""
"7057873","8.7552","0.0008","8.184","0.0006","22.4827","0.0017","90","","90","","90","","1610.9","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H3 N5 O6 -","- C4 H3 N5 O6 -","- C32 H24 N40 O48 -","8","1","","Wang, Bohan; Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","An unexpected method to synthesise 1,2,4-oxadiazolone derivatives: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","24","19671","","10.1039/C8NJ04428G","","","0.71073","MoKα","","0.0799","0.0433","","","0.0835","0.0974","","","","","","1.059","","","","has coordinates","230160","2020-10-21","18:00:00",""
"7057874","8.6418","0.001","4.985","0.0005","17.235","0.002","90","","104.095","0.003","90","","720.12","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C16 H20 N20 O16 -","4","1","","Wang, Bohan; Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","An unexpected method to synthesise 1,2,4-oxadiazolone derivatives: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","24","19671","","10.1039/C8NJ04428G","","","0.71073","MoKα","","0.0754","0.0431","","","0.0821","0.093","","","","","","1.048","","","","has coordinates","230160","2020-10-21","18:00:00",""
"7057875","8.916","0.0013","13.4685","0.0015","8.1632","0.0012","90","","97.542","0.005","90","","971.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O5 -","- C4 H8 N8 O5 -","- C16 H32 N32 O20 -","4","1","","Wang, Bohan; Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei","An unexpected method to synthesise 1,2,4-oxadiazolone derivatives: a class of insensitive energetic materials","New Journal of Chemistry","2018","42","24","19671","","10.1039/C8NJ04428G","","","0.71073","MoKα","","0.1343","0.0597","","","0.0959","0.1176","","","","","","1.056","","","","has coordinates","230160","2020-10-21","18:00:00",""
"7057876","11.276","0.0004","12.0602","0.0004","14.0048","0.0005","90","","95.804","0.001","90","","1894.76","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cd N4 O4 S -","- C18 H18 Cd N4 O4 S -","- C72 H72 Cd4 N16 O16 S4 -","4","1","","Wang, Xiao; Han, You; Han, Xing Xing; Hou, Xiangyang; Wang, Ji-Jiang; Fu, Feng","Highly selective and sensitive detection of Hg2+, Cr2O72−, and nitrobenzene/2,4-dinitrophenol in water via two fluorescent Cd-CPs","New Journal of Chemistry","2018","42","24","19844","","10.1039/C8NJ04683B","","","0.71073","MoKα","","0.0238","0.0208","","","0.0508","0.0525","","","","","","1.1","","","","has coordinates,has disorder","230182","2020-10-21","18:00:00",""
"7057877","10.0839","0.0007","11.5181","0.0008","11.6551","0.0009","89.906","0.001","65.453","0.001","70.351","0.001","1144.5","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cd N4 O4 S -","- C24 H22 Cd N4 O4 S -","- C48 H44 Cd2 N8 O8 S2 -","2","1","","Wang, Xiao; Han, You; Han, Xing Xing; Hou, Xiangyang; Wang, Ji-Jiang; Fu, Feng","Highly selective and sensitive detection of Hg2+, Cr2O72−, and nitrobenzene/2,4-dinitrophenol in water via two fluorescent Cd-CPs","New Journal of Chemistry","2018","42","24","19844","","10.1039/C8NJ04683B","","","0.71073","MoKα","","0.0241","0.0219","","","0.0826","0.088","","","","","","0.77","","","","has coordinates","230182","2020-10-21","18:00:00",""
"7057878","8.0653","0.0016","8.4613","0.0017","12.124","0.002","99.73","0.03","96.54","0.03","97.78","0.03","800","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H11 Cl N2 O3 -","- C17 H11 Cl N2 O3 -","- C34 H22 Cl2 N4 O6 -","2","1","","Zhang, Honghui; Liu, Rongfang; Liu, Jialin; Fan, Binbin; Li, Ruifeng; Qiao, Yan; Zhou, Rong","Chemoselective phosphine-catalyzed cyanoacylation of α-dicarbonyl compounds: a general method for the synthesis of cyanohydrin esters with one quaternary stereocenter","New Journal of Chemistry","2018","42","24","19720","","10.1039/C8NJ04867C","","","0.71073","MoKα","","0.0576","0.0398","","","0.1048","0.114","","","","","","1.031","","","","has coordinates","230162","2020-10-21","18:00:00",""
"7057879","17.6428","0.0007","7.0164","0.0003","19.1027","0.0009","90","","90","","90","","2364.7","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'(1E)-1-(3,5-diacetyl-2,4-dihydroxy-6-oxocyclohexa-2,4-dien-1-yl) -N-methylethaniminium (2)'","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Kwocz, Agnieszka; Jan Panek, Jarosław; Jezierska, Aneta; Hetmańczyk, Łukasz; Pawlukojć, Andrzej; Kochel, Andrzej; Lipkowski, Paweł; Filarowski, Aleksander","A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory","New Journal of Chemistry","2018","42","24","19467","","10.1039/C8NJ04339F","","","0.71073","MoKα","","0.1082","0.0492","","","0.0983","0.1089","","","","","","0.9","","","","has coordinates","230169","2020-10-21","18:00:00",""
"7057880","9.298","0.003","16.631","0.004","7.232","0.003","90","","106.9","0.04","90","","1070","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,1',1'-(2,4,6-trihydroxybenzene-1,3,5-triyl)triethanone","","- C12 H12 O6 -","- C12 H12 O6 -","- C48 H48 O24 -","4","1","","Kwocz, Agnieszka; Jan Panek, Jarosław; Jezierska, Aneta; Hetmańczyk, Łukasz; Pawlukojć, Andrzej; Kochel, Andrzej; Lipkowski, Paweł; Filarowski, Aleksander","A molecular roundabout: triple cyclically arranged hydrogen bonds in light of experiment and theory","New Journal of Chemistry","2018","42","24","19467","","10.1039/C8NJ04339F","","","0.71073","MoKα","","0.0517","0.0349","","","0.0886","0.0941","","","","","","0.949","","","","has coordinates","287931","2023-12-01","12:37:00",""
"7057881","7.5692","0.0009","12.6145","0.0016","15.2354","0.0017","69.228","0.005","76.539","0.005","73.79","0.005","1291.5","0.3","100","2","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H27 P3 -","- C31 H27 P3 -","- C62 H54 P6 -","2","1","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","","0.71073","MoKα","","0.0424","0.0331","","","0.0823","0.0873","","","","","","1.044","","","","has coordinates","230161","2020-10-21","18:00:00",""
"7057882","14.6758","0.0005","14.7658","0.0004","15.2176","0.0003","92.281","0.002","105.461","0.002","101.298","0.002","3101.92","0.15","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C31 H41 Cl O P2 Ru Si -","- C31 H41 Cl O P2 Ru Si -","- C124 H164 Cl4 O4 P8 Ru4 Si4 -","4","2","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","x-ray","1.54184","CuKα","","0.0635","0.0516","","","0.1277","0.1358","","","","","","1.045","","","","has coordinates","230161","2020-10-21","18:00:00",""
"7057883","9.9671","0.0013","8.065","0.0011","15.945","0.0018","90","","99.576","0.009","90","","1263.9","0.3","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 P3 -","- C31 H27 P3 -","- C62 H54 P6 -","2","0.5","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","","0.71073","MoKα","","0.1452","0.0779","","","0.1361","0.1601","","","","","","1.051","","","","has coordinates,has disorder","230161","2020-10-21","18:00:00",""
"7057884","12.3741","0.0005","14.043","0.0005","19.6151","0.0007","104.833","0.002","93.541","0.002","114.316","0.002","2948.1","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H60 Cl11 Fe N2 O P3 -","- C53 H60 Cl11 Fe N2 O P3 -","- C106 H120 Cl22 Fe2 N4 O2 P6 -","2","1","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","","0.71073","MoKα","","0.0605","0.0525","","","0.1045","0.1081","","","","","","1.158","","","","has coordinates","230161","2020-10-21","18:00:00",""
"7057885","9.8194","0.0005","10.9184","0.0006","16.7816","0.0009","99.502","0.003","94.824","0.003","105.119","0.003","1697.74","0.16","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 Cl4 P2 Ru2 Si -","- C31 H38 Cl4 P2 Ru2 Si -","- C62 H76 Cl8 P4 Ru4 Si2 -","2","1","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","","0.71073","MoKα","","0.0445","0.0308","","","0.0618","0.0659","","","","","","1.062","","","","has coordinates","230161","2020-10-21","18:00:00",""
"7057886","8.8172","0.0004","37.4359","0.0016","19.6657","0.0009","90","","90.34","0.002","90","","6491.1","0.5","150","2","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H37 Cl2 F6 O P3 Ru -","- C30.5 H37 Cl2 F6 O P3 Ru -","- C244 H296 Cl16 F48 O8 P24 Ru8 -","8","2","","Newland, Robert J.; Delve, Matthew P.; Wingad, Richard L.; Mansell, Stephen M.","Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes","New Journal of Chemistry","2018","42","24","19625","","10.1039/C8NJ03632B","","","0.71073","MoKα","","0.0493","0.0422","","","0.0973","0.1009","","","","","","1.127","","","","has coordinates","230161","2020-10-21","18:00:00",""
"7057887","7.235","0.005","11.39","0.008","18.119","0.012","90","","90","","90","","1493.1","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sun, Yue-Wei; Wang, Lan-Zhi","One-pot synthesis of novel functionalized benzodiazepines via three-component or domino reactions","New Journal of Chemistry","2018","42","24","20032","","10.1039/C8NJ04893B","","","0.71073","MoKα","","0.0982","0.0535","","","0.0982","0.1091","","","","","","1.048","","","","has coordinates","230174","2020-10-21","18:00:00",""
"7057888","8.0898","0.0003","11.8193","0.0004","15.4407","0.0005","99.797","0.003","91.722","0.002","92.749","0.003","1452.07","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","chlorido-(pefloxacinato-O,O')-(di(2-pyridyl)amine-N,N')-copper(II)-dihydrate","chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylato-O,O')-(di(2-pyridyl)amine-N,N')-copper(II)-dihydrate","","- C27 H32 Cl Cu F N6 O5 -","- C27 H32 Cl Cu F N6 O5 -","- C54 H64 Cl2 Cu2 F2 N12 O10 -","2","1","","Xerras, Panagiotis; Bacharidou, Anna-Maria; Kalogiannis, Stavros; Perdih, Franc; Kirillova, Marina V.; Kirillov, Alexander M.; Turel, Iztok; Psomas, George","Extending the family of quinolone antibacterials to new copper derivatives: self-assembly, structural and topological features, catalytic and biological activity","New Journal of Chemistry","2018","42","24","19644","","10.1039/C8NJ05338C","","","0.71073","MoKα","","0.0552","0.0393","","","0.0978","0.107","","","","","","1.05","","","","has coordinates","230172","2020-10-21","18:00:00",""
"7057889","10.8217","0.0002","24.4873","0.0007","11.4809","0.0002","90","","98.87","0.002","90","","3005.99","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","chlorido-(pefloxacinato-O,O')-(1,10-phenanthroline-N,N')-copper(II)‒ methanol-water(1/1/2)","chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3- carboxylato-O,O')-(1,10-phenanthroline-N,N')-copper(II)‒methanol-water(1/1/2)","","- C30 H35 Cl Cu F N5 O6 -","- C30 H35 Cl Cu F N5 O6 -","- C120 H140 Cl4 Cu4 F4 N20 O24 -","4","1","","Xerras, Panagiotis; Bacharidou, Anna-Maria; Kalogiannis, Stavros; Perdih, Franc; Kirillova, Marina V.; Kirillov, Alexander M.; Turel, Iztok; Psomas, George","Extending the family of quinolone antibacterials to new copper derivatives: self-assembly, structural and topological features, catalytic and biological activity","New Journal of Chemistry","2018","42","24","19644","","10.1039/C8NJ05338C","","","0.71073","MoKα","","0.0619","0.047","","","0.1185","0.1303","","","","","","1.039","","","","has coordinates","230172","2020-10-21","18:00:00",""
"7057890","17.0082","0.0002","24.783","0.0005","14.5284","0.0003","90","","97.631","0.002","90","","6069.69","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","chlorido-(pefloxacinato-O,O')-(2,2'-bipyridine-N,N')-copper(II) ‒methanol-water(2/1/8)","chlorido-(1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline- 3-carboxylato-O,O')-(2,2'-bipyridine-N,N')-copper(II)‒methanol-water(2/1/8)","","- C55 H74 Cl2 Cu2 F2 N10 O15 -","- C55 H74 Cl2 Cu2 F2 N10 O15 -","- C220 H296 Cl8 Cu8 F8 N40 O60 -","4","1","","Xerras, Panagiotis; Bacharidou, Anna-Maria; Kalogiannis, Stavros; Perdih, Franc; Kirillova, Marina V.; Kirillov, Alexander M.; Turel, Iztok; Psomas, George","Extending the family of quinolone antibacterials to new copper derivatives: self-assembly, structural and topological features, catalytic and biological activity","New Journal of Chemistry","2018","42","24","19644","","10.1039/C8NJ05338C","","","0.71073","MoKα","","0.068","0.0485","","","0.1255","0.1386","","","","","","1.033","","","","has coordinates","230172","2020-10-21","18:00:00",""
"7057915","8.892","0.002","15.096","0.004","11.178","0.003","90","","103.646","0.009","90","","1458.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cu(II) isonicotinate-N-oxide","","- C24 H16 Cu3 N6 O18 -","- C24 H16 Cu3 N6 O18 -","- C48 H32 Cu6 N12 O36 -","2","0.5","","Ghosh, Dipankar; Ferfolja, Katja; Drabavičius, Žygimantas; Steed, Jonathan W.; Damodaran, Krishna K.","Crystal habit modification of Cu(ii) isonicotinate‒N-oxide complexes using gel phase crystallisation","New Journal of Chemistry","2018","42","24","19963","","10.1039/C8NJ05036H","","","0.71073","MoKα","","0.0247","0.0218","","","0.0581","0.0597","","","","","","0.989","","","","has coordinates,has disorder","230170","2020-10-21","18:00:00",""
"7057916","10.7771","0.0007","8.1452","0.0004","20.9571","0.0012","90","","99.414","0.002","90","","1814.87","0.18","295","","295","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 Ni O2 S2 -","- C18 H18 N2 Ni O2 S2 -","- C72 H72 N8 Ni4 O8 S8 -","4","1","","Ahumada, Guillermo; Oyarce, Jocelyn; Roisnel, Thierry; Kahlal, Samia; del Valle, María Angélica; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Synthesis, structures, electrochemical and quantum chemical investigations of Ni(ii) and Cu(ii) complexes with a tetradentate Schiff base derived from 1-(2-thienyl)-1,3-butanedione","New Journal of Chemistry","2018","42","23","19294","","10.1039/C8NJ04923H","","x-ray","0.71073","MoKα","","0.087","0.0564","","","0.1287","0.1478","","","","","","1.026","","","","has coordinates,has disorder","230497","2020-10-21","18:00:00",""
"7057917","10.974","0.006","8.129","0.003","20.893","0.008","90","","99.866","0.015","90","","1836.3","1.4","295","","295","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O2 S2 -","- C18 H18 Cu N2 O2 S2 -","- C72 H72 Cu4 N8 O8 S8 -","4","1","","Ahumada, Guillermo; Oyarce, Jocelyn; Roisnel, Thierry; Kahlal, Samia; del Valle, María Angélica; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Synthesis, structures, electrochemical and quantum chemical investigations of Ni(ii) and Cu(ii) complexes with a tetradentate Schiff base derived from 1-(2-thienyl)-1,3-butanedione","New Journal of Chemistry","2018","42","23","19294","","10.1039/C8NJ04923H","","x-ray","0.71073","MoKα","","0.2181","0.1103","","","0.2398","0.2798","","","","","","1.16","","","","has coordinates,has disorder","230497","2020-10-21","18:00:00",""
"7057918","8.3252","0.0004","9.3565","0.0005","32.486","0.0019","90","","90","","90","","2530.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cd N4 O9 -","- C26 H20 Cd N4 O9 -","- C104 H80 Cd4 N16 O36 -","4","1","","Xie, Xiaoxin; Yu, Shihang; Yang, Chenglin; Zhang, Jian; Li, Zifeng; Li, Gang","Iron(iii) identification and proton conduction of a luminescent cadmium‒organic framework","New Journal of Chemistry","2018","42","24","20197","","10.1039/C8NJ04331K","","","0.71073","MoKα","","0.0532","0.047","","","0.1083","0.112","","","","","","1.076","","","","has coordinates","230181","2020-10-21","18:00:00",""
"7057919","23.9543","0.001","12.4115","0.0006","19.0197","0.0009","90","","98.305","0.004","90","","5595.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 F12 N4 O12 P2 -","- C64 H46 F12 N4 O12 P2 -","- C256 H184 F48 N16 O48 P8 -","4","1","","Liu, Qing-Xiang; Hu, Ze-Liang; Zhao, Zhi-Xiang","A new fluorescent‒colorimetric chemosensor for cobalt(ii) ions based on bis-benzimidazolium salt with three anthraquinone groups","New Journal of Chemistry","2018","42","24","20049","","10.1039/C8NJ04983A","","x-ray","0.71073","MoKα","","0.0707","0.0418","","","0.0867","0.0989","","","","","","0.957","","","","has coordinates","230163","2020-10-21","18:00:00",""
"7057922","20.054","0.003","20.054","0.003","30.43","0.005","90","","90","","120","","10598","3","292","2","292.54","","","","","","","","","5","P 63/m","-P 6c","176","","","","- C52.5 H65.5 N16 O17.5 Zn4 -","- C33 H15 N9 O12 Zn4 -","- C132 H60 N36 O48 Zn16 -","4","0.333333","","Xie, Wei; Yao, Chan; Shao, Kui-Zhan; Xu, Yan-Hong; Su, Zhong-Min","Controllable synthesis of isoreticular pillared-layer MOFs based on N-rich triangular prism building units: gas adsorption and luminescent properties","New Journal of Chemistry","2018","42","24","20056","","10.1039/C8NJ04260H","","","0.71073","MoKα","","0.0459","0.0348","","","0.085","0.0915","","","","","","1.04","","","","has coordinates,has disorder","230173","2020-10-21","18:00:00",""
"7057923","7.0897","0.0003","11.9762","0.0006","14.517","0.0007","80.459","0.004","85.215","0.004","73.346","0.004","1163.72","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2E)-2-cyano-3-[(4-fluorophenyl)amino]prop-2-enoate","","- C12 H11 F N2 O2 -","- C12 H11 F N2 O2 -","- C48 H44 F4 N8 O8 -","4","2","","Zhang, Zhenfeng; Ma, Nana","A scarce CC⋯CN π-hole interaction in (E)-isomers of 3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates","New Journal of Chemistry","2018","42","24","19995","","10.1039/C8NJ04000A","","","0.71073","MoKα","","0.1082","0.0671","","","0.125","0.1435","","","","","","1.074","","","","has coordinates","230175","2020-10-21","18:00:00",""
"7057924","7.0911","0.0003","12.042","0.003","15.295","0.003","80.159","0.003","89.087","0.003","74.739","0.003","1240.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ethyl (E)-3-[(4-cholorophenyl)amino]-2-cyanoprop-2-enoate","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C48 H44 Cl4 N8 O8 -","4","2","","Zhang, Zhenfeng; Ma, Nana","A scarce CC⋯CN π-hole interaction in (E)-isomers of 3-[(4-halogenphenyl)amino]-2-cyanoprop-2-enoates","New Journal of Chemistry","2018","42","24","19995","","10.1039/C8NJ04000A","","","0.71073","MoKα","","0.0697","0.0448","","","0.1073","0.1231","","","","","","1.009","","","","has coordinates","230175","2020-10-21","18:00:00",""
"7057925","9.9999","0.0006","12.093","0.0007","14.9368","0.0008","90","","90","","90","","1806.29","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N3 O4 Rh -","- C17 H15 Cl N3 O4 Rh -","- C68 H60 Cl4 N12 O16 Rh4 -","4","1","","Vasilchenko, Danila; Tkachev, Sergey; Baidina, Iraida; Korolkov, Ilya; Berdyugin, Semen; Kozlova, Ekaterina; Kozlov, Denis","Preparation of a rhodium(iii) cis-diaquacomplex by protic acid induced oxalate-release from mer-[Rh(C2O4)Cl(py)3]","New Journal of Chemistry","2018","42","24","19637","","10.1039/C8NJ04264K","","","0.71073","MoKα","","0.0365","0.0284","","","0.0654","0.0683","","","","","","1.037","","","","has coordinates","230164","2020-10-21","18:00:00",""
"7057926","9.9296","0.0011","11.0733","0.0014","12.0046","0.0015","105.068","0.004","103.546","0.004","104.836","0.004","1166.4","0.3","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Cl3 N3 O11 Rh -","- C15 H21 Cl3 N3 O11 Rh -","- C30 H42 Cl6 N6 O22 Rh2 -","2","1","","Vasilchenko, Danila; Tkachev, Sergey; Baidina, Iraida; Korolkov, Ilya; Berdyugin, Semen; Kozlova, Ekaterina; Kozlov, Denis","Preparation of a rhodium(iii) cis-diaquacomplex by protic acid induced oxalate-release from mer-[Rh(C2O4)Cl(py)3]","New Journal of Chemistry","2018","42","24","19637","","10.1039/C8NJ04264K","","","0.71073","MoKα","","0.0733","0.0497","","","0.1146","0.122","","","","","","1.07","","","","has coordinates","230164","2020-10-21","18:00:00",""
"7057927","11.9033","0.0013","13.788","0.0015","17.6831","0.0018","89.772","0.003","81.452","0.003","68.198","0.003","2660.5","0.5","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H64 Cl3 O12 S4 -","- C50 H64 Cl3 O12 S4 -","- C100 H128 Cl6 O24 S8 -","2","1","","Landovský, T.; Dvořáková, H.; Eigner, V.; Babor, M.; Krupička, M.; Kohout, M.; Lhoták, P.","Chemoselective oxidation of phenoxathiin-based thiacalix[4]arene and the stereoselective alkylation of products","New Journal of Chemistry","2018","42","24","20074","","10.1039/C8NJ04690E","","","1.5418","CuKα","","0.08","0.0766","","0.2211","0.2176","0.2211","","","","","","0.9918","","","","has coordinates,has disorder","230180","2020-10-21","18:00:00",""
"7057928","14.7527","0.0005","13.3087","0.0004","25.0148","0.0008","90","","105.063","0.0009","90","","4742.6","0.3","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Cl2 O12 S4 -","- C42 H52 Cl2 O12 S4 -","- C168 H208 Cl8 O48 S16 -","4","1","","Landovský, T.; Dvořáková, H.; Eigner, V.; Babor, M.; Krupička, M.; Kohout, M.; Lhoták, P.","Chemoselective oxidation of phenoxathiin-based thiacalix[4]arene and the stereoselective alkylation of products","New Journal of Chemistry","2018","42","24","20074","","10.1039/C8NJ04690E","","","1.5418","CuKα","","0.0561","0.0556","","0.1403","0.1402","0.1403","","","","","","0.9364","","","","has coordinates,has disorder","230180","2020-10-21","18:00:00",""
"7057929","12.294","0.0003","31.977","0.0008","12.2132","0.0003","90","","103.374","0.0008","90","","4671.1","0.2","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 O12 S4 -","- C44 H56 O12 S4 -","- C176 H224 O48 S16 -","4","1","","Landovský, T.; Dvořáková, H.; Eigner, V.; Babor, M.; Krupička, M.; Kohout, M.; Lhoták, P.","Chemoselective oxidation of phenoxathiin-based thiacalix[4]arene and the stereoselective alkylation of products","New Journal of Chemistry","2018","42","24","20074","","10.1039/C8NJ04690E","","","1.5418","CuKα","","0.0514","0.0487","","0.1237","0.1233","0.1237","","","","","","1.0329","","","","has coordinates,has disorder","230180","2020-10-21","18:00:00",""
"7057930","20.44879","0.00013","26.48153","0.00012","18.22756","0.00011","90","","116.44","0.0008","90","","8838.06","0.11","120","","120","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 O12 S4 -","- C43 H52 O12 S4 -","- C344 H416 O96 S32 -","8","2","","Landovský, T.; Dvořáková, H.; Eigner, V.; Babor, M.; Krupička, M.; Kohout, M.; Lhoták, P.","Chemoselective oxidation of phenoxathiin-based thiacalix[4]arene and the stereoselective alkylation of products","New Journal of Chemistry","2018","42","24","20074","","10.1039/C8NJ04690E","","","1.5418","CuKα","","0.0348","0.0333","","0.0772","0.0768","0.0772","","","","","","1.1986","","","","has coordinates,has disorder","230180","2020-10-21","18:00:00",""
"7057931","12.1853","0.0005","13.2193","0.0005","21.7629","0.0009","99.283","0.0016","96.0609","0.0015","107.455","0.0015","3255.9","0.2","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H66.78 Cl6 O11.39 S4 -","- C63 H66 Cl6 O11.392 S4 -","- C126 H132 Cl12 O22.784 S8 -","2","1","","Landovský, T.; Dvořáková, H.; Eigner, V.; Babor, M.; Krupička, M.; Kohout, M.; Lhoták, P.","Chemoselective oxidation of phenoxathiin-based thiacalix[4]arene and the stereoselective alkylation of products","New Journal of Chemistry","2018","42","24","20074","","10.1039/C8NJ04690E","","","1.5418","CuKα","","0.0602","0.052","","0.133","0.129","0.133","","","","","","0.9765","","","","has coordinates,has disorder","230180","2020-10-21","18:00:00",""
"7057932","14.5999","0.0005","17.7683","0.0006","31.8703","0.0013","90","","90.663","0.004","90","","8267.1","0.5","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H77 Eu3 N10 O22 -","- C85 H77 Eu3 N10 O22 -","- C340 H308 Eu12 N40 O88 -","4","1","","Yang, Shuai-Liang; Yuan, Yue-Ying; Sun, Pei-Pei; Lin, Tian; Zhang, Chen-Xi; Wang, Qing-Lun","3D water-stable europium metal organic frameworks as a multi-responsive luminescent sensor for high-efficiency detection of Cr2O72−, MnO4−, Cr3+ ions and SDBS in aqueous solution","New Journal of Chemistry","2018","42","24","20137","","10.1039/C8NJ04956D","","x-ray","0.71073","MoKα","","0.048","0.0381","","","0.0957","0.1038","","","","","","1.04","","","","has coordinates,has disorder","230179","2020-10-21","18:00:00",""
"7057933","16.631","0.003","30.14","0.005","6.24","0.001","90","","90","","90","","3127.9","0.9","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C34 H28 N4 O5 -","- C34 H28 N4 O5 -","- C136 H112 N16 O20 -","4","0.5","","Mandal, Jayanta; Ghorai, Pravat; Brandão, Paula; Pal, Kunal; Karmakar, Parimal; Saha, Amrita","An aminoquinoline based biocompatible fluorescent and colourimetric pH sensor designed for cancer cell discrimination","New Journal of Chemistry","2018","42","24","19818","","10.1039/C8NJ04753G","","","0.71073","MoKα","","0.1279","0.0911","","","0.2711","0.304","","","","","","1.143","","","","has coordinates","230168","2020-10-21","18:00:00",""
"7057934","8.7731","0.0006","12.3585","0.0008","12.5316","0.0009","96.327","0.005","103.909","0.006","106.988","0.006","1237.26","0.16","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Yue, Guizhou; Wu, Yao; Dou, Zhengjie; Chen, Huabao; Yin, Zhongqiong; Song, Xu; He, ChangLiang; Wang, Xianxiang; Feng, Juhua; Zhang, Zuming; Zou, Ping; Lu, Cuifen","Synthesis of spiropyrrolidine oxindoles via Ag-catalyzed stereo- and regioselective 1,3-dipolar cycloaddition of indole-based azomethine ylides with chalcones","New Journal of Chemistry","2018","42","24","20024","","10.1039/C8NJ04492A","","x-ray","0.71073","MoKα","","0.0695","0.0495","","","0.1189","0.1301","","","","","","1.076","","","","has coordinates","230159","2020-10-21","18:00:00",""
"7057935","12.2928","0.0016","13.0408","0.0015","27.679","0.004","90","","93.341","0.004","90","","4429.6","1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 O9 -","- C27 H16 O9 -","- C216 H128 O72 -","8","2","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.0966","0.0557","","","0.1776","0.2459","","","","","","0.991","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057936","6.874","0.005","12.86","0.009","18.821","0.012","103.912","0.018","97.77","0.02","100.062","0.019","1562.6","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C70 H70 N8 O16 -","- C70 H70 N8 O16 -","- C70 H70 N8 O16 -","1","0.5","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.2964","0.1175","","","0.2332","0.2829","","","","","","0.825","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057937","9.179","0.009","13.799","0.009","14.211","0.01","109.83","0.03","100.42","0.06","97.41","0.05","1630","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 N5 O7 -","- C38 H33 N5 O7 -","- C76 H66 N10 O14 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.163","0.0666","","","0.1442","0.1929","","","","","","0.84","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057938","9.192","0.001","13.0507","0.0016","19.469","0.002","76.186","0.005","83.285","0.003","69.384","0.003","2121.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H41 N7 O6 -","- C51 H41 N7 O6 -","- C102 H82 N14 O12 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.2665","0.0771","","","0.1877","0.2703","","","","","","0.838","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057939","9.017","0.008","11.28","0.011","16.817","0.015","97.49","0.02","91.87","0.03","92.38","0.02","1693","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H33 N5 O7 S -","- C38 H32 N5 O7 S -","- C76 H64 N10 O14 S2 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.1221","0.0615","","","0.1609","0.2018","","","","","","0.989","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057940","26.2114","0.0018","7.6705","0.0006","26.7036","0.0018","90","","118.679","0.004","90","","4710.2","0.6","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O7 -","- C27 H21.5 N3 O7 -","- C216 H172 N24 O56 -","8","2","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.214","0.0716","","","0.1538","0.2036","","","","","","0.993","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057941","7.014","0.003","15.896","0.006","17.428","0.007","82.57","0.019","87.049","0.012","79.316","0.013","1892.7","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H40 N2 O12 -","- C41 H38 N2 O12 -","- C82 H76 N4 O24 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.2728","0.108","","","0.2353","0.3124","","","","","","0.901","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057942","7.433","0.003","9.101","0.004","22.827","0.009","88.73","0.02","87.969","0.016","84.49","0.02","1535.8","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H28 N2 O9 -","- C39 H28 N2 O9 -","- C78 H56 N4 O18 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.1087","0.053","","","0.1232","0.1583","","","","","","0.693","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057943","8.4","0.05","13.02","0.06","15.42","0.07","92.7","0.2","98.8","0.2","96.2","0.3","1653","15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N5 O6 -","- C40 H34 N5 O6 -","- C80 H68 N10 O12 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.1968","0.0757","","","0.1413","0.1837","","","","","","0.766","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057944","7.8654","0.0008","9.5964","0.0009","22.652","0.002","92.607","0.003","97.703","0.003","95.618","0.003","1683.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O10 S2 -","- C37 H26 N2 O10 S2 -","- C74 H52 N4 O20 S4 -","2","1","","Das, Debarati; Roy, Sandipan; Biradha, Kumar","Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives","New Journal of Chemistry","2018","42","24","19953","","10.1039/C8NJ04600J","","","0.71073","MoKα","","0.1337","0.0592","","","0.1737","0.2148","","","","","","1.182","","","","has coordinates","230166","2020-10-21","18:00:00",""
"7057972","16.6347","0.0004","16.6347","0.0004","12.9722","0.0005","90","","90","","90","","3589.58","0.18","293","2","293","2","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C8 H39 Cu Mo6 N4.5 O31 -","- C8 H39 Cu Mo6 N4.5 O31 -","- C32 H156 Cu4 Mo24 N18 O124 -","4","","","Fang, Qihua; fu, junhong; Wang, Fei; Qin, Zhaoxian; Ma, Weiguang; Zhang, Jiangwei; Li, Gao","Tris functionalized Cu-centered cyclohexamolybdate molecular armor as bimetallic catalyst for rapid p-nitrophenol hydrogenation","New Journal of Chemistry","2018","","","","","10.1039/C8NJ04265A","","","0.71073","MoKα","","0.0432","0.0332","","","0.0775","0.0823","","","","","","1.086","","","","has coordinates","211998","2020-10-21","18:00:00",""
"7058017","5.4831","0.0002","5.4831","0.0002","47.463","0.003","90","","90","","90","","1426.95","0.12","173","2","173","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3-Nitro-4,4'-bipyrazole","","- C6 H5 N5 O2 -","- C6 H5 N5 O2 -","- C48 H40 N40 O16 -","8","1","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0342","0.0319","","","0.0779","0.0789","","","","","","1.102","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058018","15.9744","0.0009","6.5428","0.0008","8.9414","0.0008","90","","118.739","0.01","90","","819.41","0.15","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,3'-Dinitro-4,4'-bipyrazole","","- C6 H4 N6 O4 -","- C6 H4 N6 O4 -","- C24 H16 N24 O16 -","4","0.5","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0416","0.0366","","","0.0944","0.0969","","","","","","1.045","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058019","8.6064","0.0008","11.9636","0.0009","10.12","0.0009","90","","114.148","0.01","90","","950.81","0.16","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5,3'-Trinitro-4,4'-bipyrazole","","- C6 H3 N7 O6 -","- C6 H3 N7 O6 -","- C24 H12 N28 O24 -","4","1","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0701","0.0384","","","0.0805","0.0858","","","","","","0.814","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058020","6.1653","0.0007","15.7789","0.0012","8.7387","0.001","90","","107.434","0.01","90","","811.06","0.15","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-Dinitro-4,4'-bipyrazole","","- C6 H4 N6 O4 -","- C6 H4 N6 O4 -","- C24 H16 N24 O16 -","4","0.5","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0387","0.0337","","","0.0896","0.091","","","","","","1.089","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058021","16.4281","0.0013","16.4281","0.0013","8.3705","0.0006","90","","90","","90","","2259.1","0.3","203","2","203","2","","","","","","","","4","P 42/n","-P 4bc","86","","3,3',5,5'-Tetranitro-4,4'-bipyrazole","","- C6 H2 N8 O8 -","- C6 H2 N8 O8 -","- C48 H16 N64 O64 -","8","","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0492","0.0339","","","0.0797","0.0834","","","","","","1.001","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7058022","11.1017","0.0009","13.9227","0.001","8.2166","0.0008","90","","110.654","0.01","90","","1188.38","0.19","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3,3',5,5'-Tetranitro-4,4'-bipyrazole Hydrate","","- C6 H4 N8 O9 -","- C6 H4 N8 O9 -","- C24 H16 N32 O36 -","4","1","","Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg","Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials","New Journal of Chemistry","2018","","","","","10.1039/C8NJ05266B","","","0.71073","MoKα","","0.0244","0.0209","","","0.0493","0.0501","","","","","","0.936","","","","has coordinates","212424","2020-10-21","18:00:00",""
"7059038","9.9987","0.0018","14.262","0.002","15.699","0.002","97.42","0.012","97.333","0.016","108.183","0.016","2075.3","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Fluorescein Hydrazone","","- C26 H17.54 N3 O4.27 -","- C26 H17.544 N3 O4.272 -","- C104 H70.176 N12 O17.088 -","4","2","","Villada, Juan D.; D’Vries, Richard F.; Macías, Mario; Zuluaga, Fabio; Chaur, Manuel N.","Structural characterization of a fluorescein hydrazone molecular switch with application towards logic gates","New Journal of Chemistry","2018","42","22","18050","","10.1039/C8NJ03817A","","","0.71073","MoKα","","0.2256","0.1201","","","0.3147","0.3789","","","","","","1.032","","","","has coordinates,has disorder","227886","2020-10-21","18:00:00",""
"7059039","10.0344","0.0004","8.1177","0.0003","20.1951","0.0008","90","","97.782","0.002","90","","1629.87","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H31 N5 O3 S -","- C39 H31 N5 O3 S -","- C78 H62 N10 O6 S2 -","2","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.1766","0.0603","","","0.1319","0.1592","","","","","","0.794","","","","has coordinates","288219","2023-12-11","21:40:11",""
"7059040","30.297","0.012","12.301","0.005","16.64","0.007","90","","112","0.02","90","","5750","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 N5 O5 S -","- C31 H27 N5 O5 S -","- C248 H216 N40 O40 S8 -","8","1","","Yadav, Neetu; Singh, Ashok Kumar","Dicarbohydrazide based chemosensors for copper and cyanide ions via a displacement approach","New Journal of Chemistry","2018","42","8","6023","","10.1039/C8NJ00230D","","","0.71073","MoKα","","0.1561","0.0863","","","0.2384","0.2939","","","","","","1.04","","","","has coordinates","227887","2020-10-21","18:00:00",""
"7059041","10.355","0.008","28.23","0.02","10.896","0.008","90","","115.85","0.03","90","","2866","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O5 S Sb W -","- C29 H23 O5 S Sb W -","- C116 H92 O20 S4 Sb4 W4 -","4","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0536","0.0533","","","0.1213","0.1214","","","","","","1.326","","","","has coordinates,has disorder","227888","2020-10-21","18:00:00",""
"7059042","9.587","0.006","11.959","0.007","15.924","0.012","71.22","0.03","75.47","0.03","66.92","0.02","1573.8","1.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 O5 S2 Sb W -","- C33 H25 O5 S2 Sb W -","- C66 H50 O10 S4 Sb2 W2 -","2","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0158","0.0136","","","0.032","0.0329","","","","","","1.079","","","","has coordinates","227888","2020-10-21","18:00:00",""
"7059043","10.584","0.01","10.93","0.011","14.073","0.012","101.23","0.05","91.88","0.05","118.69","0.03","1386","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 O6 Sb W -","- C29 H23 O6 Sb W -","- C58 H46 O12 Sb2 W2 -","2","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0351","0.0279","","","0.0656","0.0718","","","","","","1.048","","","","has coordinates","227888","2020-10-21","18:00:00",""
"7059044","10.482","0.007","28.043","0.014","10.666","0.007","90","","115.58","0.03","90","","2828","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N O5 Sb W -","- C30 H26 N O5 Sb W -","- C120 H104 N4 O20 Sb4 W4 -","4","1","","Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet","Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry","New Journal of Chemistry","2018","42","9","7301","","10.1039/C8NJ01008K","","","0.71073","MoKα","","0.0219","0.0205","","","0.0669","0.0673","","","","","","1.605","","","","has coordinates","227888","2020-10-21","18:00:00",""
"7059045","14.158","0.003","14.747","0.003","23.048","0.007","90","","90","","90","","4812","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3,3-disubstituted oxindole","","- C27 H22 Br N3 O4 S -","- C27 H22 Br N3 O4 S -","- C216 H176 Br8 N24 O32 S8 -","8","1","","Poomathi, Nataraj; Balaji, Ravichandran; Maheswari, Narayanan Uma; Mathivanan, Narayanasamy; Perumal, Paramasivan T.; Balasubramanian, Kalpattu K.; Barathi, Veluchamy Amutha; Ramakrishna, Seeram","Brønsted acid catalysed eco friendly synthesis of quaternary centred C-3 functionalized oxindole derivatives","New Journal of Chemistry","2018","42","18","14817","","10.1039/C8NJ02276C","","","0.71073","MoKα","","0.1138","0.0904","","","0.2816","0.3003","","","","","","1.123","","","","has coordinates","227889","2020-10-21","18:00:00",""
"7059046","10.442","0.001","16.4514","0.0017","16.4752","0.0019","65.968","0.003","82.841","0.003","87.442","0.003","2564.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Cl2 F N5 O9 Ru -","- C20 H20 Cl2 F N5 O9 Ru -","- C80 H80 Cl8 F4 N20 O36 Ru4 -","4","2","","Kostin, Gennadiy A.; Mikhailov, Artem A.; Kuratieva, Natalia V.; Pishchur, Denis P.; Makhinya, Alexander N.","High thermal stability of the Ru‒ON (MS1) linkage isomer of the ruthenium nitrosyl complex [RuNO(Py)4F](ClO4)2 with the trans NO‒Ru‒F coordinate","New Journal of Chemistry","2018","42","23","18928","","10.1039/C8NJ04620D","","x-ray","0.71073","MoKα","","0.0419","0.0321","","","0.0749","0.0782","","","","","","1.053","","","","has coordinates,has disorder","227890","2020-10-21","18:00:00",""
"7059121","11.9805","0.0019","9.1305","0.0009","12.6134","0.0013","90","","116.631","0.009","90","","1233.4","0.3","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C10 H8 N6 O4 Sn -","- C10 H8 N6 O4 Sn -","- C40 H32 N24 O16 Sn4 -","4","0.5","","Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes","New Journal of Chemistry","2018","42","21","17513","","10.1039/C8NJ03805H","","","0.71073","MoKα","","0.0298","0.0253","","","0.0594","0.0613","","","","","","1.13","","","","has coordinates","236872","2020-10-21","18:00:00",""
"7059122","8.2366","0.0004","9.4181","0.0004","16.5098","0.0008","90","","100.057","0.002","90","","1261.04","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N6 O4 Sn -","- C10 H8 N6 O4 Sn -","- C40 H32 N24 O16 Sn4 -","4","1","","Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes","New Journal of Chemistry","2018","42","21","17513","","10.1039/C8NJ03805H","","","0.71073","MoKα","","0.0461","0.0281","","","0.0594","0.0651","","","","","","1.102","","","","has coordinates","236872","2020-10-21","18:00:00",""
"7059123","11.141","0.003","11.137","0.003","13.176","0.003","90","","104.481","0.008","90","","1582.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0817","0.0473","","","0.1175","0.1335","","","","","","1.031","","","","has coordinates","236875","2020-10-21","18:00:00",""
"7059124","8.9286","0.0016","12.5329","0.0018","14.6928","0.0016","90","","90.562","0.003","90","","1644.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C68 H72 F4 N12 O12 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0827","0.053","","","0.1261","0.1361","","","","","","1.048","","","","has coordinates,has disorder","236875","2020-10-21","18:00:00",""
"7059125","8.3608","0.0008","15.3765","0.0014","19.0562","0.0014","90","","114.853","0.004","90","","2223","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C100 H120 N8 O8 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.112","0.0602","","","0.1359","0.157","","","","","","1.024","","","","has coordinates,has disorder","236875","2020-10-21","18:00:00",""
"7059126","25.339","0.0012","10.4719","0.0007","15.6589","0.0007","90","","90","","90","","4155","0.4","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C184 H184 N24 O24 -","8","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0661","0.0384","","","0.0778","0.0825","","","","","","1.022","","","","has coordinates,has disorder","236875","2020-10-21","18:00:00",""
"7059127","9.624","0.003","10.925","0.003","11.808","0.003","85.813","0.008","81.37","0.009","71.045","0.008","1160.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N2 O2 -","- C27 H25 Cl N2 O2 -","- C54 H50 Cl2 N4 O4 -","2","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.136","0.0677","","","0.1796","0.2064","","","","","","1.07","","","","has coordinates","236875","2020-10-21","18:00:00",""
"7059128","8.0048","0.0011","10.8582","0.0013","23.772","0.003","90","","93.426","0.006","90","","2062.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N3 O3 -","- C20 H24 Cl N3 O3 -","- C80 H96 Cl4 N12 O12 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0902","0.0556","","","0.1533","0.1663","","","","","","1.072","","","","has coordinates,has disorder","236875","2020-10-21","18:00:00",""
"7059129","8.3445","0.0008","18.8273","0.0019","11.5601","0.001","90","","90.495","0.003","90","","1816.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.1041","0.0568","","","0.1337","0.1479","","","","","","1.051","","","","has coordinates","236875","2020-10-21","18:00:00",""
"7059130","11.5941","0.001","7.55","0.0006","22.5636","0.0017","90","","97.25","0.003","90","","1959.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O3 -","- C19 H20 N4 O3 -","- C76 H80 N16 O12 -","4","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.081","0.0529","","","0.1296","0.1427","","","","","","1.029","","","","has coordinates","236875","2020-10-21","18:00:00",""
"7059131","7.8537","0.0007","10.0186","0.0008","10.4353","0.0009","73.18","0.003","70.237","0.003","72.218","0.003","719.76","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C32 H32 N8 O2 -","2","1","","Huang, Ying; Min, Wei; Wu, Qiu-Wen; Sun, Jing; Shi, Da-Hua; Yan, Chao-Guo","Facile one-pot synthesis of spirooxindole-pyrrolidine derivatives and their antimicrobial and acetylcholinesterase inhibitory activities","New Journal of Chemistry","2018","42","19","16211","","10.1039/C8NJ03813A","","","0.71073","MoKα","","0.0646","0.0468","","","0.1176","0.127","","","","","","1.043","","","","has coordinates","236875","2020-10-21","18:00:00",""
"7120919","17.435","0.002","19.1274","0.0019","22.985","0.003","90","","110.64","0.013","90","","7173.2","1.6","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C36 H33 N8 Ni O10 -","- C36 H32.5 N8 Ni O10 -","- C288 H260 N64 Ni8 O80 -","8","2","","Yang, Jing-Mei; Zhu, Yan-Hong; Chen, Sheng; Lu, Xing; Wu, Yi-Ming; Ma, Feng-E; Li, Liang-Ping; Yang, Yang; Shi, Zhen-Hao; Huang, Kun-Yuan; Hong, Xue; Jiang, Ping; Peng, Yan","A β-carboline derivative-based nickel(ii) complex as a potential antitumor agent: synthesis, characterization, and cytotoxicity.","MedChemComm","2018","9","1","100","107","10.1039/c7md00428a","","x-ray","0.71073","MoKα","","0.1813","0.0733","","","0.1292","0.1877","","","","","","0.985","","","","has coordinates","230130","2020-10-21","18:00:00",""
"7120924","11.4008","0.0012","12.9855","0.0013","13.2123","0.0015","64.982","0.001","66.895","0.001","83.284","0.002","1627.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N2 O5 S -","- C33 H30 N2 O5 S -","- C66 H60 N4 O10 S2 -","2","1","","Shen, Zheng-Jia; Wu, Ya-Nan; He, Chun-Lan; He, Long; Hao, Wen-Juan; Wang, Ai-Fang; Tu, Shu-Jiang; Jiang, Bo","Stereoselective synthesis of sulfonated 1-indenones via radical-triggered multi-component cyclization of β-alkynyl propenones.","Chemical communications (Cambridge, England)","2018","54","5","445","448","10.1039/c7cc08516h","","","0.71073","MoKα","","0.1713","0.0733","","","0.1792","0.1974","","","","","","1.035","","","","has coordinates","228150","2020-10-21","18:00:00",""
"7120925","9.9091","0.0009","12.336","0.0011","13.1036","0.0012","108.864","0.002","96.264","0.001","113.226","0.003","1340.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Br0.5 Cl0.5 O3 S Se -","- C31 H25 Br0.5 Cl0.5 O3 S Se -","- C62 H50 Br Cl O6 S2 Se2 -","2","1","","Shen, Zheng-Jia; Wu, Ya-Nan; He, Chun-Lan; He, Long; Hao, Wen-Juan; Wang, Ai-Fang; Tu, Shu-Jiang; Jiang, Bo","Stereoselective synthesis of sulfonated 1-indenones via radical-triggered multi-component cyclization of β-alkynyl propenones.","Chemical communications (Cambridge, England)","2018","54","5","445","448","10.1039/c7cc08516h","","","0.71073","MoKα","","0.0677","0.0463","","","0.1293","0.1368","","","","","","1.018","","","","has coordinates,has disorder","228150","2020-10-21","18:00:00",""
"7120932","9.8868","0.0004","27.3918","0.0012","12.3432","0.0005","90","","102.369","0.007","90","","3265.2","0.3","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","Rh2_NIP","","- C68 H64 N4 O20 Rh2 S4 -","- C68 H64 N4 O20 Rh2 S4 -","- C136 H128 N8 O40 Rh4 S8 -","2","0.5","","Chinapang, Pondchanok; Okamura, Masaya; Itoh, Takahiro; Kondo, Mio; Masaoka, Shigeyuki","Development of a framework catalyst for photocatalytic hydrogen evolution.","Chemical communications (Cambridge, England)","2018","54","10","1174","1177","10.1039/c7cc08013a","","x-ray","0.710747","MoKα","","0.0761","0.0611","","","0.1523","0.1639","","","","","","1.135","","","","has coordinates","228002","2020-10-21","18:00:00",""
"7120934","19.093","0.004","19.093","0.004","19.869","0.009","90","","90","","120","","6273","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31.5 H13.5 N1.5 O13 Zn4 -","- C31.5 H13.5 N1.5 O13 Zn4 -","- C189 H81 N9 O78 Zn24 -","6","0.333333","","Zhou, Hui-Fang; Liu, Bo; Hou, Lei; Zhang, Wen-Yan; Wang, Yao-Yu","Rational construction of a stable Zn<sub>4</sub>O-based MOF for highly efficient CO<sub>2</sub> capture and conversion.","Chemical communications (Cambridge, England)","2018","54","5","456","459","10.1039/c7cc08473k","","","0.71073","MoKα","","0.1412","0.1103","","","0.3168","0.3408","","","","","","1.268","","","","has coordinates,has disorder","228147","2020-10-21","18:00:00",""
"7120937","9.909","0.0004","12.3948","0.0006","14.9001","0.0004","101.753","0.003","96.938","0.003","111.945","0.004","1622.3","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","dizinc(II) complex of a PSRT ligand","[Zn2(PSPhT)2](BF4)4","","- C48 H48 B4 F16 N12 S4 Zn2 -","- C48 H48 B4 F16 N12 S4 Zn2 -","- C48 H48 B4 F16 N12 S4 Zn2 -","1","0.5","","Hogue, Ross W.; Lepper, Christopher P.; Jameson, Geoffrey B.; Brooker, Sally","Manipulating and quantifying spin states in solution as a function of pressure and temperature.","Chemical communications (Cambridge, England)","2018","54","2","172","175","10.1039/c7cc08104a","","","1.54184","CuKα","","0.0967","0.0885","","","0.2569","0.2659","","","","","","1.162","","","","has coordinates","228241","2020-10-21","18:00:00",""
"7120938","16.3031","0.0007","6.109","0.0003","26.0729","0.0016","90","","90","","90","","2596.7","0.2","173","0.1","173","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","2","","Liu, Lin; Cheng, Hai-Long; Ma, Wen-Qiang; Hou, Si-Hua; Tu, Yong-Qiang; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua","Improved synthesis of 8-oxabicyclo[3.2.1]octanes via tandem C-H oxidation/oxa-[3,3] Cope rearrangement/aldol cyclization.","Chemical communications (Cambridge, England)","2018","54","2","196","199","10.1039/c7cc08511g","","","0.71073","MoKα","","0.0911","0.0745","","","0.181","0.2019","","","","","","1.072","","","","has coordinates","228242","2020-10-21","18:00:00",""
"7120939","20.5026","0.001","10.6536","0.0006","12.2454","0.0007","90","","90.321","0.002","90","","2674.7","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 Br O7 -","- C31 H27 Br O7 -","- C124 H108 Br4 O28 -","4","1","","Zheng, Yang; Bao, Ming; Yao, Ruwei; Qiu, Lihua; Xu, Xinfang","Palladium-catalyzed carbene/alkyne metathesis with enynones as carbene precursors: synthesis of fused polyheterocycles.","Chemical communications (Cambridge, England)","2018","54","4","350","353","10.1039/c7cc08221e","","","0.71073","MoKα","","0.0707","0.0478","","","0.0919","0.0993","","","","","","1.112","","","","has coordinates,has disorder","228182","2020-10-21","18:00:00",""
"7120940","9.9099","0.0006","17.0949","0.0011","19.824","0.0013","111.191","0.001","99.814","0.001","94.463","0.001","3049.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H79 Cl3 O3 S12 -","- C58 H79 Cl3 O3 S12 -","- C116 H158 Cl6 O6 S24 -","2","1","","Shivakumar, Kilingaru I.; Goudappagouda, ?; Gonnade, Rajesh G.; Babu, Sukumaran Santhosh; Sanjayan, Gangadhar J.","Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C<sub>3</sub> symmetric molecule.","Chemical communications (Cambridge, England)","2018","54","2","212","215","10.1039/c7cc08741a","","","0.71073","MoKα","","0.0344","0.0297","","","0.0659","0.0685","","","","","","1.015","","","","has coordinates,has disorder","228238","2020-10-21","18:00:00",""
"7120941","8.9035","0.0006","8.9035","0.0006","19.5908","0.0013","90","","90","","90","","1553.01","0.18","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0305","0.0296","","","0.0743","0.075","","","","","","1.058","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120942","8.9799","0.0013","8.9799","0.0013","19.914","0.003","90","","90","","90","","1605.8","0.4","298","2","298","2","","","","","","","","4","P 41","P 4w","76","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0415","0.0345","","","0.0792","0.0832","","","","","","1.032","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120943","11.6359","0.0006","11.951","0.0006","23.629","0.0012","90","","90","","90","","3285.9","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0329","0.0311","","","0.0794","0.0804","","","","","","1.047","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120944","11.5984","0.0005","11.9524","0.0006","23.3284","0.0012","90","","90","","90","","3234","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl N0 O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0385","0.0361","","","0.0909","0.092","","","","","","1.097","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120945","11.799","0.008","12.007","0.008","24.359","0.016","90","","90","","90","","3451","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.096","0.0664","","","0.1733","0.2069","","","","","","1.003","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120946","8.9144","0.0005","8.9144","0.0005","19.6524","0.0012","90","","90","","90","","1561.71","0.16","153","2","153","2","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0302","0.0285","","","0.0712","0.0721","","","","","","1.063","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120947","12.5364","0.0004","15.9813","0.0003","14.0907","0.0004","90","","105.609","0.003","90","","2718.93","0.13","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cd N2 -","- C29 H42 Cd N2 -","- C116 H168 Cd4 N8 -","4","1","","Webb, D. J.; Fitchett, C. M.; Lein, M.; Fulton, J. R.","Carbodiimides as catalysts for the reduction of a cadmium hydride complex.","Chemical communications (Cambridge, England)","2018","54","5","460","462","10.1039/c7cc08393a","","x-ray","0.71073","MoKα","","0.0359","0.0278","","","0.0698","0.075","","","","","","1.089","","","","has coordinates","228154","2020-10-21","18:00:00",""
"7120948","14.4118","0.0004","14.2417","0.0004","26.8111","0.0008","90","","94.817","0.003","90","","5483.5","0.3","278.07","0.1","278.07","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Cd2 N4 -","- C58 H82 Cd2 N4 -","- C232 H328 Cd8 N16 -","4","1","","Webb, D. J.; Fitchett, C. M.; Lein, M.; Fulton, J. R.","Carbodiimides as catalysts for the reduction of a cadmium hydride complex.","Chemical communications (Cambridge, England)","2018","54","5","460","462","10.1039/c7cc08393a","","x-ray","0.71073","MoKα","","0.0578","0.0399","","","0.0801","0.0901","","","","","","1.114","","","","has coordinates","228154","2020-10-21","18:00:00",""
"7120949","9.2479","0.0005","10.441","0.0005","9.4838","0.0005","90","","99.49","0.005","90","","903.2","0.08","109.1","","109.1","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C46 H40 O6 -","2","1","","Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao","Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.","Chemical communications (Cambridge, England)","2018","54","3","279","282","10.1039/c7cc08380g","","","1.5418","CuKα","","0.0321","0.0317","","","0.0811","0.0815","","","","","","1.068","","","","has coordinates","228608","2020-10-21","18:00:00",""
"7120950","9.139","0.004","10.409","0.004","9.569","0.004","90","","99.93","0.006","90","","896.6","0.6","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Wang, Chang; Gao, Zhenzhen; Zhou, Leijie; Wang, Qijun; Wu, Yang; Yuan, Chunhao; Liao, Jianning; Xiao, Yumei; Guo, Hongchao","Multifunctional chiral phosphine-catalyzed [3+2] annulation of Morita-Baylis-Hillman carbonates with cyclopentenones: asymmetric synthesis of 4-oxo-hexahydropentalenes.","Chemical communications (Cambridge, England)","2018","54","3","279","282","10.1039/c7cc08380g","","","0.71073","MoKα","","0.0456","0.0435","","","0.0913","0.0926","","","","","","1.091","","","","has coordinates","228608","2020-10-21","18:00:00",""
"7120951","10.6876","0.001","11.0288","0.0011","13.7644","0.0013","92.855","0.002","95.797","0.002","111.682","0.002","1493.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H43 B10 N3 Si3 -","- C15 H43 B10 N3 Si3 -","- C30 H86 B20 N6 Si6 -","2","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.1006","0.085","","","0.2192","0.2427","","","","","","1.052","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120952","16.0649","0.0009","15.2313","0.001","16.4004","0.001","90","","117.891","0.001","90","","3546.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H52 B10 N2 Si5 -","- C18 H52 B10 N2 Si5 -","- C72 H208 B40 N8 Si20 -","4","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.0445","0.0338","","","0.0893","0.1017","","","","","","1.075","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120953","9.6637","0.0006","12.6136","0.0008","14.6221","0.0009","108.68","0.001","97.907","0.001","110.434","0.001","1518.49","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H47 B11 N4 Si -","- C20 H47 B11 N4 Si -","- C40 H94 B22 N8 Si2 -","2","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.0573","0.0455","","","0.1267","0.1369","","","","","","1.085","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120954","11.5795","0.0012","18.0348","0.0018","13.6549","0.0014","90","","98.231","0.002","90","","2822.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H44 B10 N4 Si -","- C20 H44 B10 N4 Si -","- C80 H176 B40 N16 Si4 -","4","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.1105","0.0572","","","0.1481","0.1775","","","","","","1.024","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120955","13.1949","0.0005","18.8976","0.0007","16.1057","0.0006","90","","91.51","0.002","90","","4014.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 B10 N4 O Si -","- C33 H54 B10 N4 O Si -","- C132 H216 B40 N16 O4 Si4 -","4","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.1273","0.0593","","","0.1294","0.1641","","","","","","1.009","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120956","20.0349","0.0005","20.6925","0.0005","21.5296","0.0005","90","","90","","90","","8925.6","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H62 B10 N4 Si -","- C41 H62 B10 N4 Si -","- C328 H496 B80 N32 Si8 -","8","1","","Wang, Hao; Chan, Tek Long; Xie, Zuowei","Cyclic amino(carboranyl) silylene: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2018","54","4","385","388","10.1039/c7cc08690c","","","0.71073","MoKα","","0.0958","0.0638","","","0.1784","0.2087","","","","","","1.039","","","","has coordinates","228186","2020-10-21","18:00:00",""
"7120958","15.4666","0.0006","15.1699","0.0005","30.7695","0.001","90","","101.336","0.004","90","","7078.5","0.4","120","","120","","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C90 H86 Al2 D6 N4 -","- C90 H86 Al2 D6 N4 -","- C360 H344 Al8 D24 N16 -","4","1","","Urwin, Stephanie J.; Nichol, Gary S.; Cowley, Michael J.","Aluminium-mediated carbon-carbon coupling of an isonitrile.","Chemical communications (Cambridge, England)","2018","54","4","378","380","10.1039/c7cc08415c","","x-ray","1.54184","CuKα","","0.1037","0.0728","","","0.1719","0.1875","","","","","","0.916","","","","has coordinates","228184","2020-10-21","18:00:00",""
"7120959","11.0642","0.0004","11.5289","0.0004","16.885","0.0004","99.424","0.002","98.234","0.002","111.443","0.003","1928.7","0.12","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 Al2 -","- C48 H50 Al2 -","- C96 H100 Al4 -","2","1","","Urwin, Stephanie J.; Nichol, Gary S.; Cowley, Michael J.","Aluminium-mediated carbon-carbon coupling of an isonitrile.","Chemical communications (Cambridge, England)","2018","54","4","378","380","10.1039/c7cc08415c","","x-ray","1.54184","CuKα","","0.0616","0.0516","","","0.1342","0.1442","","","","","","1.031","","","","has coordinates","228184","2020-10-21","18:00:00",""
"7120960","18.0961","0.0005","18.4979","0.0011","9.1885","0.0011","90","","90","","90","","3075.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C37 H26 Br N O3 -","- C37 H26 Br N O3 -","- C148 H104 Br4 N4 O12 -","4","1","","Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Ding, Liyuan; Jiang, Shengsheng; Yang, Limin; Zhong, Guofu","NHC-catalyzed [4+2] cycloaddition reactions for the synthesis of 3'-spirocyclic oxindoles via a C-F bond cleavage protocol.","Chemical communications (Cambridge, England)","2018","54","13","1567","1570","10.1039/c7cc08048d","","","0.71073","MoKα","","0.2007","0.0917","","","0.1587","0.1935","","","","","","1.007","","","","has coordinates","228388","2020-10-21","18:00:00",""
"7120961","9.8925","0.0004","12.4541","0.0005","14.3675","0.0006","96.459","0.002","109.369","0.002","103.883","0.002","1585.09","0.12","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.","Chemical communications (Cambridge, England)","2018","54","3","283","286","10.1039/c7cc08231b","","","1.54178","CuKα","","0.0384","0.0374","","","0.0956","0.0964","","","","","","1.039","","","","has coordinates","228606","2020-10-21","18:00:00",""
"7120962","7.9135","0.0002","9.874","0.0002","19.0229","0.0005","90","","90","","90","","1486.41","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.","Chemical communications (Cambridge, England)","2018","54","3","283","286","10.1039/c7cc08231b","","","0.71073","MoKα","","0.029","0.0276","","","0.0758","0.077","","","","","","1.034","","","","has coordinates","228606","2020-10-21","18:00:00",""
"7120963","9.0313","0.0004","11.8519","0.0004","14.6499","0.0006","90","","90","","90","","1568.1","0.11","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","","Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.","Chemical communications (Cambridge, England)","2018","54","3","283","286","10.1039/c7cc08231b","","","1.54178","CuKα","","0.0327","0.0324","","","0.0839","0.0843","","","","","","1.077","","","","has coordinates","228606","2020-10-21","18:00:00",""
"7120964","9.8465","0.0006","10.1124","0.0006","26.1644","0.0016","90","","90.975","0.004","90","","2604.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N S -","- C16 H13 N S -","- C128 H104 N8 S8 -","8","2","","Wang, Tong-Lin; Liu, Xiao-Jun; Huo, Cong-De; Wang, Xi-Cun; Quan, Zheng-Jun","Base-catalyzed thio-lactamization of 2-(1-arylvinyl)anilines with CS<sub>2</sub> for the synthesis of quinoline-2-thiones.","Chemical communications (Cambridge, England)","2018","54","5","499","502","10.1039/c7cc07633a","","","1.34139","GaKα","","0.1165","0.084","","","0.227","0.2422","","","","","","1.013","","","","has coordinates","228149","2020-10-21","18:00:00",""
"7120965","9.561","0.005","15.086","0.009","16.722","0.009","94.723","0.009","97.602","0.009","97.88","0.009","2356","2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","Ni-CAU-29","","","- C45.5 H24 N4 Ni2 O14 P4 -","- C45.5 H24 N4 Ni2 O14 P4 -","- C91 H48 N8 Ni4 O28 P8 -","2","1","","Rhauderwiek, Timo; Wolkersdörfer, Konrad; Øien-Ødegaard, Sigurd; Lillerud, Karl-Petter; Wark, Michael; Stock, Norbert","Crystalline and permanently porous porphyrin-based metal tetraphosphonates.","Chemical communications (Cambridge, England)","2018","54","4","389","392","10.1039/c7cc07766a","","x-ray","0.76","synchrotron","","0.1615","0.0997","","","0.2346","0.2839","","","","","","1.134","","","","has coordinates,has disorder","228183","2020-10-21","18:00:00",""
"7120966","20.571","0.001","23.494","0.001","24.097","0.001","90","","90","","90","","11646","0.9","223","2","223","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C107 H95 Cl25 N4 O2 Pd2 -","- C107 H95 Cl25 N4 O2 Pd2 -","- C428 H380 Cl100 N16 O8 Pd8 -","4","0.5","","Vasiuta, Roman; Stockert, Alexander; Plenio, Herbert","Alternating ring-opening metathesis polymerization by Grubbs-type catalysts with N-pentiptycenyl, N-alkyl-NHC ligands.","Chemical communications (Cambridge, England)","2018","54","14","1706","1709","10.1039/c7cc08476e","","","0.71073","MoKα","","0.1011","0.0448","","","0.102","0.119","","","","","","0.981","","","","has coordinates,has disorder","228389","2020-10-21","18:00:00",""
"7120967","26.294","0.004","34.046","0.006","34.098","0.006","90","","90","","90","","30525","9","100","2","100.15","","","","","","","","","5","I m m m","-I 2 2","71","","","","- C100 H52 Cu5 N4 O20 -","- C100 H52 Cu5 N4 O20 -","- C400 H208 Cu20 N16 O80 -","4","0.25","","Wang, Xun; Gao, Wen-Yang; Niu, Zheng; Wojtas, Lukasz; Perman, Jason A.; Chen, Yu-Sheng; Li, Zhong; Aguila, Briana; Ma, Shengqian","A metal-metalloporphyrin framework based on an octatopic porphyrin ligand for chemical fixation of CO<sub>2</sub> with aziridines.","Chemical communications (Cambridge, England)","2018","54","10","1170","1173","10.1039/c7cc08844b","","","0.49594","synchrotron","","0.0922","0.0685","","","0.1999","0.2191","","","","","","1.007","","","","has coordinates","228003","2020-10-21","18:00:00",""
"7120968","13.4049","0.0002","33.992","0.0009","20.3454","0.0004","90","","91.9033","0.0006","90","","9265.5","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H142 Ge2 Si14 -","- C74 H142 Ge2 Si14 -","- C296 H568 Ge8 Si56 -","4","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","Reversible addition of terminal alkenes to digermynes.","Chemical communications (Cambridge, England)","2018","54","5","519","522","10.1039/c7cc08555a","","","0.71069","MoKα","","0.1066","0.0809","","","0.1926","0.2073","","","","","","1.155","","","","has coordinates,has disorder","228152","2020-10-21","18:00:00",""
"7120969","12.8999","0.0004","16.643","0.0005","17.7075","0.0006","88.806","0.002","75.528","0.003","67.21","0.003","3381.4","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H106 Ge2 Si8 -","- C56 H106 Ge2 Si8 -","- C112 H212 Ge4 Si16 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","Reversible addition of terminal alkenes to digermynes.","Chemical communications (Cambridge, England)","2018","54","5","519","522","10.1039/c7cc08555a","","","0.71073","MoKα","","0.0824","0.049","","","0.1018","0.1135","","","","","","1.098","","","","has coordinates","228152","2020-10-21","18:00:00",""
"7120970","14.6873","0.0002","17.2952","0.0003","18.3289","0.0003","92.502","0.001","104.946","0.001","91.16","0.001","4491.71","0.13","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H146 Ge2 Si14 -","- C66 H146 Ge2 Si14 -","- C132 H292 Ge4 Si28 -","2","1","","Sugahara, Tomohiro; Guo, Jing-Dong; Sasamori, Takahiro; Nagase, Shigeru; Tokitoh, Norihiro","Reversible addition of terminal alkenes to digermynes.","Chemical communications (Cambridge, England)","2018","54","5","519","522","10.1039/c7cc08555a","","","0.71075","MoKα","","0.0605","0.0444","","","0.0924","0.1017","","","","","","1.091","","","","has coordinates,has disorder","228152","2020-10-21","18:00:00",""
"7120971","12.6533","0.0011","13.479","0.0011","19.7139","0.0017","78.895","0.0016","81.527","0.0016","80.413","0.0016","3230.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H65 Cr N8 O3 P2 -","- C76 H65 Cr N8 O3 P2 -","- C152 H130 Cr2 N16 O6 P4 -","2","1","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","0.71073","MoKα","","0.1294","0.0889","","","0.2334","0.2673","","","","","","1.034","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7120972","10.0731","0.0002","12.0863","0.0002","22.7664","0.0003","90","","96.395","0.001","90","","2754.48","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H21 Cr N8 -","- C38 H21 Cr N8 -","- C152 H84 Cr4 N32 -","4","1","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.0448","0.036","","","0.0917","0.0968","","","","","","1.027","","","","has coordinates","228435","2020-10-21","18:00:00",""
"7120973","12.259","0.0005","27.9724","0.0012","17.8044","0.0008","90","","108.65","0.001","90","","5784.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H71 Cr Li N8 O10 -","- C60 H71 Cr Li N8 O10 -","- C240 H284 Cr4 Li4 N32 O40 -","4","1","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","0.71073","MoKα","","0.0656","0.0516","","","0.1147","0.122","","","","","","1.066","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7120974","12.4386","0.0002","14.7836","0.0003","16.988","0.0003","90","","108.199","0.001","90","","2967.61","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25.51 Cr K N8 O -","- C36 H25.51 Cr K N8 O -","- C144 H102.04 Cr4 K4 N32 O4 -","4","1","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.0962","0.0849","","","0.2573","0.2682","","","","","","1.061","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7120975","17.1137","0.0004","17.1137","0.0004","17.1137","0.0004","90","","90","","90","","5012.2","0.2","150","2","150","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C79 H44 Cr2 N16 O4 -","- C79 H44 Cr2 N16 O4 -","- C237 H132 Cr6 N48 O12 -","3","0.0625","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.2388","0.2046","","","0.5975","0.6213","","","","","","2.691","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7120976","24.4994","0.0014","24.2314","0.0016","35.7646","0.0018","90","","90","","90","","21232","2","150","2","150","2","","","","","","","","7","I b c a","-I 2b 2c","73","","","","- C182 H84 Cr4 I2 Li2.04 N32 O10 -","- C182 H84 Cr4 I2 Li2.04 N32 O10 -","- C728 H336 Cr16 I8 Li8.16 N128 O40 -","4","0.25","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.4574","0.2937","","","0.545","0.6296","","","","","","1.6","","","","has coordinates,has disorder","228435","2020-10-21","18:00:00",""
"7120977","11.3864","0.0002","25.8865","0.0005","41.3004","0.0009","90","","91.612","0.001","90","","12168.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 Cr N8 Si -","- C36 H27 Cr N8 Si -","- C576 H432 Cr16 N128 Si16 -","16","4","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.0969","0.0549","","","0.1234","0.1439","","","","","","1.009","","","","has coordinates","228435","2020-10-21","18:00:00",""
"7120978","15.768","0.002","8.5743","0.0013","19.542","0.003","90","","93.19","0.011","90","","2638","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H21 Cr N8 -","- C34 H21 Cr N8 -","- C136 H84 Cr4 N32 -","4","1","","Zhou, Wen; Leznoff, Daniel B.","Phthalocyanine as a redox-active platform for organometallic chemistry.","Chemical communications (Cambridge, England)","2018","54","15","1829","1832","10.1039/c7cc08781k","","","1.54178","CuKα","","0.0753","0.063","","","0.1681","0.178","","","","","","1.244","","","","has coordinates","228435","2020-10-21","18:00:00",""
"7120979","10.0038","0.0006","10.0481","0.0006","16.8445","0.0011","96.049","0.004","93.448","0.003","111.328","0.004","1559.57","0.17","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 B N7 O2 Te W -","- C26 H42 B N7 O2 Te W -","- C52 H84 B2 N14 O4 Te2 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","0.71073","MoKα","","0.0681","0.047","","0.1168","0.1009","0.1168","","","","","","1.0384","","","","has coordinates","210834","2020-10-21","18:00:00",""
"7120980","11.1515","0.0003","14.7348","0.0004","17.8819","0.0004","70.872","0.002","89.962","0.002","75.377","0.002","2675.28","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 B N6 O2 Te W -","- C24 H26.7375 B N6 O2 Te W -","- C96 H106.95 B4 N24 O8 Te4 W4 -","4","2","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","1.54184","CuKα","","0.0535","0.0514","","","0.1453","0.1477","","","","","","1.104","","","","has coordinates,has disorder","210834","2020-10-21","18:00:00",""
"7120981","20.1187","0.0004","13.9835","0.0003","36.0701","0.001","90","","104.18","0.002","90","","9838.4","0.4","150.01","0.1","150.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H44 B2 N12 O4 Te2 W2 -","- C36 H44 B2 N12 O4 Te2 W2 -","- C288 H352 B16 N96 O32 Te16 W16 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","0.71073","MoKα","","0.0343","0.0253","","","0.0541","0.0568","","","","","","1.023","","","","has coordinates,has disorder","210834","2020-10-21","18:00:00",""
"7120982","10.4143","0.0004","25.0854","0.0009","22.5482","0.0014","90","","102.335","0.005","90","","5754.7","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H74 B2 N12 O4 Te W2 -","- C51 H74 B2 N12 O4 Te W2 -","- C204 H296 B8 N48 O16 Te4 W8 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","0.71073","MoKα","","0.0946","0.0498","","","0.0698","0.0825","","","","","","1.018","","","","has coordinates,has disorder","210834","2020-10-21","18:00:00",""
"7120983","6.196","0.008","13.132","0.011","13.815","0.013","73.83","0.05","83.92","0.06","78.69","0.06","1057.1","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis(2-dimethylamino-ethylamino)-cyclobut-3-ene-1,2-dione fumaric acid cocrystal","","- C33 H62 N8 O16 -","- C33 H62 N8 O16 -","- C33 H62 N8 O16 -","1","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","H-Bonded anion-anion complex trapped in a squaramido-based receptor.","Chemical communications (Cambridge, England)","2018","54","15","1841","1844","10.1039/c7cc09241e","","","0.71073","MoKα","","0.177","0.0826","","","0.2102","0.2466","","","","","","0.885","","","","has coordinates,has disorder","228430","2020-10-21","18:00:00",""
"7120986","29.502","0.0005","29.502","0.0005","10.4338","0.0002","90","","90","","90","","9081.2","0.3","100","2","100","2","","","","","","","","4","I 41/a","-I 4ad","88","","1,5-bis(trimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane","","- C30 H72 O8 Si7 -","- C30 H72 O8 Si7 -","- C240 H576 O64 Si56 -","8","","","Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki","Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes","Chemical Communications","2018","","","","","10.1039/C7CC08790J","","","0.71073","MoKα","","0.0888","0.081","","","0.2032","0.211","","","","","","1.108","","","","has coordinates,has disorder","204201","2020-10-21","18:00:00",""
"7120987","18.4236","0.0004","13.5947","0.0003","21.1068","0.0005","90","","104.245","0.001","90","","5123.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(tert-butyldimethylsilyl)hexaisobutylbicyclo[3.3.3]pentasiloxane","","- C36 H84 O8 Si7 -","- C36 H84 O8 Si7 -","- C144 H336 O32 Si28 -","4","0.5","","Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki","Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes","Chemical Communications","2018","","","","","10.1039/C7CC08790J","","","0.71073","MoKα","","0.0591","0.0537","","","0.144","0.1513","","","","","","1.039","","","","has coordinates","204201","2020-10-21","18:00:00",""
"7120988","18.2557","0.0012","13.4289","0.0009","21.0576","0.0013","90","","104.555","0.001","90","","4996.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(t-butyldimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane","","- C36 H84 O8 Si7 -","- C36 H84 O8 Si7 -","- C144 H336 O32 Si28 -","4","0.5","","Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki","Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes","Chemical Communications","2018","","","","","10.1039/C7CC08790J","","","0.71073","MoKα","","0.0335","0.0297","","","0.0743","0.079","","","","","","1.064","","","","has coordinates","204201","2020-10-21","18:00:00",""
"7120989","19.0349","0.0005","13.7423","0.0003","21.0422","0.0005","90","","103.889","0.001","90","","5343.4","0.2","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(t-butyldimethylsiloxy)hexaisobutylbicyclo[3.3.3]pentasiloxane","","- C18 H42 O4 Si3.5 -","- C18 H42 O4 Si3.5 -","- C144 H336 O32 Si28 -","8","1","","Yokouchi, Yuki; Ishida, Shintaro; Onodera, Tsunenobu; Oikawa, Hidetoshi; Iwamoto, Takeaki","Facile synthesis and bridgehead-functionalization of bicyclo[3.3.3]pentasiloxanes","Chemical Communications","2018","","","","","10.1039/C7CC08790J","","","0.71073","MoKα","","0.0945","0.0703","","","0.1945","0.2335","","","","","","1.061","","","","has coordinates,has disorder","204201","2020-10-21","18:00:00",""
"7120990","10.467","0.002","6.9909","0.0013","23.485","0.005","90","","90","","90","","1718.5","0.6","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Kumari, Pratibha; Verma, Sanjay K.; Mobin, Shaikh M.","Water soluble two-photon fluorescent organic probes for long-term imaging of lysosomes in live cells and tumor spheroids.","Chemical communications (Cambridge, England)","2018","54","5","539","542","10.1039/c7cc07812a","","","0.71073","MoKα","","0.1912","0.155","","","0.3837","0.413","","","","","","1.336","","","","has coordinates","228146","2020-10-21","18:00:00",""
"7120991","13.2426","0.0002","13.2426","0.0002","35.7164","0.0008","90","","90","","120","","5424.31","0.17","193","2","193","2","","","","","","","synthesis as described","8","P -3 c 1","-P 3 2""c","165","","","","- C36 H20 Au3 B2 Br3 F12 N12 Pb -","- C36 H20 Au3 B2 Br3 F12 N12 Pb -","- C144 H80 Au12 B8 Br12 F48 N48 Pb4 -","4","0.333333","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena; Rodríguez-Castillo, María","Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.","Chemical communications (Cambridge, England)","2018","54","3","295","298","10.1039/c7cc08710a","","x-ray","0.71073","MoKα","","0.058","0.0355","","","0.0861","0.0953","","","","","","1.056","","","","has coordinates","228607","2020-10-21","18:00:00",""
"7120992","17.6281","0.0006","15.3378","0.0005","18.8338","0.0003","90","","91.372","0.002","90","","5090.8","0.3","198","2","198","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H46 Au3 B Br3 F12 N7 -","- C43 H46 Au3 B Br3 F12 N7 -","- C172 H184 Au12 B4 Br12 F48 N28 -","4","1","","Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena; Rodríguez-Castillo, María","Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.","Chemical communications (Cambridge, England)","2018","54","3","295","298","10.1039/c7cc08710a","","x-ray","0.71073","MoKα","","0.0726","0.042","","","0.0839","0.093","","","","","","1.02","","","","has coordinates,has disorder","228607","2020-10-21","18:00:00",""
"7120993","9.4002","0.0002","20.3414","0.0005","9.8392","0.0002","90","","104.762","0.0009","90","","1819.28","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H32 Ag F3 N2 O3 S -","- C42 H32 Ag F3 N2 O3 S -","- C84 H64 Ag2 F6 N4 O6 S2 -","2","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.033","0.0317","","","0.0847","0.0856","","","","","","1.07","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7120994","13.0012","0.0003","16.8587","0.0004","20.2367","0.0005","93.9117","0.0015","100.458","0.0016","99.6917","0.0014","4277.23","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C95.5 H74 Ag B F24 N2 -","- C95.5 H74 Ag B F24 N2 -","- C191 H148 Ag2 B2 F48 N4 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.0681","0.0581","","","0.1707","0.182","","","","","","1.046","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7120995","15.318","0.0003","25.8009","0.0005","18.7754","0.0004","90","","101.5","0.0012","90","","7271.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76.8 H49.8 Ag B Cl3.4 F24 N2 -","- C76.8 H49.8 Ag B Cl3.4 F24 N2 -","- C307.2 H199.2 Ag4 B4 Cl13.6 F96 N8 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.0799","0.0689","","","0.1956","0.2056","","","","","","1.081","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7120996","15.165","0.0007","26.0219","0.0012","18.5838","0.0009","90","","101.23","0.0006","90","","7193.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79 H49 Ag B F25 N2 -","- C79 H49 Ag B F25 N2 -","- C316 H196 Ag4 B4 F100 N8 -","4","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","0.71073","MoKα","","0.0838","0.0572","","","0.1528","0.1714","","","","","","1.049","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7120997","11.15213","0.00016","11.75148","0.00017","16.7352","0.0003","83.7416","0.0011","85.9962","0.0008","71.1237","0.0009","2061.5","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 Ag N2 O3 P -","- C50 H48 Ag N2 O3 P -","- C100 H96 Ag2 N4 O6 P2 -","2","1","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.0334","0.0308","","","0.0828","0.0844","","","","","","1.058","","","","has coordinates","228153","2020-10-21","18:00:00",""
"7120998","15.6902","0.0003","16.2845","0.0004","16.4921","0.0004","117.748","0.0013","92.4871","0.0015","105.908","0.0015","3513.3","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C158 H116 Ag2 B2 F48 N4 -","- C146 H88 Ag2 B2 F48 N4 -","- C146 H88 Ag2 B2 F48 N4 -","1","0.5","","Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Approaching monocoordination at a silver(i) cation.","Chemical communications (Cambridge, England)","2018","54","5","483","486","10.1039/c7cc08418h","","","1.54178","CuKα","","0.0852","0.0605","","","0.1555","0.172","","","","","","1.023","","","","has coordinates,has disorder","228153","2020-10-21","18:00:00",""
"7120999","14.4864","0.0008","11.3225","0.0006","22.708","0.0011","90","","106.085","0.006","90","","3578.8","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H55 N O3 -","- C41 H55 N O3 -","- C164 H220 N4 O12 -","4","2","","Mou, Xue-Qing; Chen, Xiang-Yu; Chen, Gong; He, Gang","Radical-mediated intramolecular β-C(sp<sup>3</sup>)-H amidation of alkylimidates: facile synthesis of 1,2-amino alcohols.","Chemical communications (Cambridge, England)","2018","54","5","515","518","10.1039/c7cc08897c","","","0.71073","MoKα","","0.1028","0.0641","","","0.1216","0.1492","","","","","","1.027","","","","has coordinates","228151","2020-10-21","18:00:00",""
"7121000","12.7496","0.0005","10.1118","0.0003","12.9485","0.0004","90","","96.469","0.003","90","","1658.71","0.1","298","10","298","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl3 I2 N O -","- C12 H14 Cl3 I2 N O -","- C48 H56 Cl12 I8 N4 O4 -","4","1","","Mou, Xue-Qing; Chen, Xiang-Yu; Chen, Gong; He, Gang","Radical-mediated intramolecular β-C(sp<sup>3</sup>)-H amidation of alkylimidates: facile synthesis of 1,2-amino alcohols.","Chemical communications (Cambridge, England)","2018","54","5","515","518","10.1039/c7cc08897c","","x-ray","0.71073","MoKα","","0.042","0.0363","","","0.0825","0.087","","","","","","1.054","","","","has coordinates","228151","2020-10-21","18:00:00",""
"7121001","12.4387","0.0011","16.867","0.0015","24.294","0.002","90","","90.103","0.003","90","","5097","0.8","140","","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58.56 H54.68 Cl0.88 O3.78 P4 Ru -","- C58.5612 H54.6836 Cl0.8776 O3.7806 P4 Ru -","- C234.245 H218.734 Cl3.5104 O15.1224 P16 Ru4 -","4","1","","Tan, Xuefeng; Zeng, Weijun; Zhang, Xiaoyong; Chung, Lung Wa; Zhang, Xumu","Development of a novel secondary phosphine oxide-ruthenium(ii) catalyst and its application for carbonyl reduction.","Chemical communications (Cambridge, England)","2018","54","5","535","538","10.1039/c7cc07647a","","","0.71073","MoKα","","0.0344","0.0272","","","0.0656","0.0684","","","","","","1.044","","","","has coordinates,has disorder","228148","2020-10-21","18:00:00",""
"7121002","17.4076","0.0009","17.4445","0.0011","34.0495","0.0019","90","","90.184","0.004","90","","10339.7","1","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 Br I4 P -","- C57 H36 Br I4 P -","- C456 H288 Br8 I32 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.1105","0.0661","","","0.1313","0.1492","","","","","","1.075","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121003","17.419","0.0011","17.3989","0.0008","34.9081","0.0017","90","","90.638","0.006","90","","10579","1","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 I5 P -","- C57 H36 I5 P -","- C456 H288 I40 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.1248","0.0709","","","0.1474","0.1743","","","","","","1.046","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121004","17.373","0.0006","17.4497","0.0007","33.5122","0.0011","90","","90.168","0.004","90","","10159.3","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C57 H36 Cl I4 P -","- C57 H36 Cl I4 P -","- C456 H288 Cl8 I32 P8 -","8","1","","Gunawardana, C. A.; Đaković, M; Aakeröy, C B","Diamondoid architectures from halogen-bonded halides.","Chemical communications (Cambridge, England)","2018","54","6","607","610","10.1039/c7cc08839f","","","0.71073","MoKα","","0.086","0.0571","","","0.1456","0.162","","","","","","1.04","","","","has coordinates","228245","2020-10-21","18:00:00",""
"7121005","13.2938","0.0003","13.2938","0.0003","31.3861","0.0008","90","","90","","120","","4803.6","0.2","85","","85","","","","","","","","","5","R -3","-R 3","148","","","","- C36 H33 Cl Cu N7 -","- C36 H33 Cl Cu N7 -","- C216 H198 Cl6 Cu6 N42 -","6","","","Dahl, E. W.; Dong, H. T.; Szymczak, N. K.","Phenylamino derivatives of tris(2-pyridylmethyl)amine: hydrogen-bonded peroxodicopper complexes","Chemical Communications","2018","","","","","10.1039/C7CC08619A","","","1.54184","CuKα","","0.0676","0.0603","","","0.1591","0.1667","","","","","","1.063","","","","has coordinates","204299","2020-10-21","18:00:00",""
"7121006","13.7619","0.0009","14.9539","0.0009","16.6243","0.0007","106.175","0.005","102.188","0.005","107.466","0.006","2967.6","0.4","85","","85","","","","","","","","","8","P -1","-P 1","2","","","","- C62 H37 B Cl4 Cu F20 N7 O -","- C62 H37 B Cl4 Cu F20 N7 O -","- C124 H74 B2 Cl8 Cu2 F40 N14 O2 -","2","1","","Dahl, E. W.; Dong, H. T.; Szymczak, N. K.","Phenylamino derivatives of tris(2-pyridylmethyl)amine: hydrogen-bonded peroxodicopper complexes","Chemical Communications","2018","","","","","10.1039/C7CC08619A","","","1.54184","CuKα","","0.1117","0.0885","","","0.2417","0.2918","","","","","","1.116","","","","has coordinates","204299","2020-10-21","18:00:00",""
"7121009","34.773","0.004","34.773","0.004","34.773","0.004","90","","90","","90","","42046","8","100","","100","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- C76.96 H55.54 Cu8 O49 -","- C76.96 H55.54 Cu8 O49 -","- C923.52 H666.48 Cu96 O588 -","12","1","","Lal, Garima; Lee, Shiron J.; Spasyuk, Denis M.; Shimizu, George K. H.","Amphiphile-like self assembly of metal organic polyhedra having both polar and non-polar groups.","Chemical communications (Cambridge, England)","2018","54","14","1722","1725","10.1039/c7cc09413b","","","0.68881","synchrotron","","0.1622","0.103","","","0.2345","0.2599","","","","","","1.156","","","","has coordinates,has disorder","228391","2020-10-21","18:00:00",""
"7121010","15.772","0.003","17.56","0.003","19.223","0.004","67.479","0.003","69.242","0.003","86.897","0.003","4578.1","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C142 H220 F18 N18 O46 Rh4 S6 -","- C114 H100 F18 N16 O18 Rh4 S6 -","- C114 H100 F18 N16 O18 Rh4 S6 -","1","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin","Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.","Chemical communications (Cambridge, England)","2018","54","13","1559","1562","10.1039/c7cc09448e","","","0.71073","MoKα","","0.1071","0.0795","","","0.2415","0.2645","","","","","","1.058","","","","has coordinates","228387","2020-10-21","18:00:00",""
"7121011","21.482","0.003","12.4683","0.0016","38.691","0.005","90","","101.321","0.002","90","","10162","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C148 H208 F24 N24 O52 Rh4 S8 -","- C116 H104 F12 N16 O12 Rh4 S4 -","- C232 H208 F24 N32 O24 Rh8 S8 -","2","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin","Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.","Chemical communications (Cambridge, England)","2018","54","13","1559","1562","10.1039/c7cc09448e","","","0.71073","MoKα","","0.175","0.1172","","","0.3289","0.3703","","","","","","1.02","","","","has coordinates","228387","2020-10-21","18:00:00",""
"7121012","37.464","0.005","13.3075","0.0016","36.173","0.004","90","","112.998","0.002","90","","16601","4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C169 H148 F24 N16 O31 Rh4 S8 -","- C168 H124 F24 N16 O30 Rh4 S8 -","- C672 H496 F96 N64 O120 Rh16 S32 -","4","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin","Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.","Chemical communications (Cambridge, England)","2018","54","13","1559","1562","10.1039/c7cc09448e","","","0.71073","MoKα","","0.1643","0.1014","","","0.2766","0.3093","","","","","","1.085","","","","has coordinates,has disorder","228387","2020-10-21","18:00:00",""
"7121013","19.945","0.008","14.605","0.006","31.218","0.012","90","","101.754","0.007","90","","8903","6","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C170 H152 F24 Ir4 N16 O32 S8 -","- C166 H124 F18 Ir4 N16 O22 S6 -","- C332 H248 F36 Ir8 N32 O44 S12 -","2","0.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin","Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.","Chemical communications (Cambridge, England)","2018","54","13","1559","1562","10.1039/c7cc09448e","","","0.71073","MoKα","","0.1034","0.0518","","","0.1233","0.1395","","","","","","0.904","","","","has coordinates,has disorder","228387","2020-10-21","18:00:00",""
"7121014","26.607","0.004","31.867","0.005","33.813","0.005","90","","94.492","0.003","90","","28581","8","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C168 H192 F24 N28 O40 Rh4 S8 -","- C144.667 H118 F22 N19.3333 O24.6667 Rh4 S7.33333 -","- C868 H708 F132 N116 O148 Rh24 S44 -","6","1.5","","Zhang, Hai-Ning; Gao, Wen-Xi; Deng, Yu-Xin; Lin, Yue-Jian; Jin, Guo-Xin","Stacking-interaction-induced host-guest chemistry and Borromean rings based on a polypyridyl ligand.","Chemical communications (Cambridge, England)","2018","54","13","1559","1562","10.1039/c7cc09448e","","","0.71073","MoKα","","0.2228","0.1563","","","0.3705","0.4106","","","","","","1.067","","","","has coordinates,has disorder","228387","2020-10-21","18:00:00",""
"7121016","13.296","0.003","13.957","0.003","17.986","0.004","87.92","0.05","79.12","0.04","75.01","0.03","3165.9","1.4","168","120","168","120","","","","","","","","4","P -1","-P 1","2","","","","- C68 H46 N4 S2 -","- C68 H46 N4 S2 -","- C136 H92 N8 S4 -","2","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Aromaticity switching via azulene transformations in azulene-bridged A,D-dithiahexaphyrin.","Chemical communications (Cambridge, England)","2018","54","15","1837","1840","10.1039/c7cc08754c","","","0.71073","MoKα","","0.1213","0.0722","","","0.1672","0.1902","","","","","","0.954","","","","has coordinates","228436","2020-10-21","18:00:00",""
"7121017","11.111","0.002","16.969","0.003","18.186","0.003","106.13","0.03","93.46","0.02","90.79","0.02","3286.2","1.1","79.9","0.6","79.9","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C82 H44 D16 N4 O Pd S2 -","- C82 H44 D16 N4 O Pd S2 -","- C164 H88 D32 N8 O2 Pd2 S4 -","2","1","","Białek, Michał J; Latos-Grażyński, Lechosław","Aromaticity switching via azulene transformations in azulene-bridged A,D-dithiahexaphyrin.","Chemical communications (Cambridge, England)","2018","54","15","1837","1840","10.1039/c7cc08754c","","","0.71073","MoKα","","0.2224","0.0883","","","0.1503","0.2101","","","","","","0.967","","","","has coordinates","228436","2020-10-21","18:00:00",""
"7121018","11.217","0.002","10.2614","0.0018","14.346","0.003","90","","97.541","0.006","90","","1637","0.5","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 1","","","- C29 H35 N3 O13 U -","- C29 H35 N3 O13 U -","- C58 H70 N6 O26 U2 -","2","1","","Wang, Xia; Wang, Yanlong; Dai, Xing; Silver, Mark A.; Liu, Wei; Li, Yuxiang; Bai, Zhuanling; Gui, Daxiang; Chen, Lanhua; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Phase transition triggered aggregation-induced emission in a photoluminescent uranyl-organic framework.","Chemical communications (Cambridge, England)","2018","54","6","627","630","10.1039/c7cc09594e","","","0.71073","MoKα","","0.0772","0.0506","","","0.1108","0.1207","","","","","","1.021","","","","has coordinates","228251","2020-10-21","18:00:00",""
"7121019","11.4098","0.0016","9.3291","0.0013","14.383","0.002","90","","96.391","0.004","90","","1521.5","0.4","168","2","168","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 2","","","- C23 H25.8 N O13.4 U -","- C21 H11 O10 U -","- C42 H22 O20 U2 -","2","1","","Wang, Xia; Wang, Yanlong; Dai, Xing; Silver, Mark A.; Liu, Wei; Li, Yuxiang; Bai, Zhuanling; Gui, Daxiang; Chen, Lanhua; Diwu, Juan; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao","Phase transition triggered aggregation-induced emission in a photoluminescent uranyl-organic framework.","Chemical communications (Cambridge, England)","2018","54","6","627","630","10.1039/c7cc09594e","","","0.71073","MoKα","","0.0674","0.0533","","","0.148","0.1554","","","","","","1.106","","","","has coordinates","228251","2020-10-21","18:00:00",""
"7121020","12.787","0.002","16.559","0.003","11.9492","0.0018","90","","95.643","0.003","90","","2517.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O Si -","- C27 H36 N2 O Si -","- C108 H144 N8 O4 Si4 -","4","1","","Wu, Li-Jun; Yang, Yuan; Song, Ren-Jie; Yu, Jiang-Xi; Li, Jin-Heng; He, De-Liang","An access to 1,3-azasiline-fused quinolinones via oxidative heteroannulation involving silyl C(sp<sup>3</sup>)-H functionalization.","Chemical communications (Cambridge, England)","2018","54","11","1367","1370","10.1039/c7cc08996a","","","0.71073","MoKα","","0.0691","0.0443","","","0.1123","0.1267","","","","","","1.029","","","","has coordinates","228588","2020-10-21","18:00:00",""
"7121021","14.9397","0.0009","9.2935","0.0005","34.6459","0.0018","90","","98.609","0.002","90","","4756.1","0.5","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 N2 O4 -","- C65 H50 N2 O4 -","- C260 H200 N8 O16 -","4","1","","Schlüter, Friederike; Riehemann, Kristina; Kehr, Nermin Seda; Quici, Silvio; Daniliuc, Constantin G.; Rizzo, Fabio","A highly fluorescent water soluble spirobifluorene dye with a large Stokes shift: synthesis, characterization and bio-applications.","Chemical communications (Cambridge, England)","2018","54","6","642","645","10.1039/c7cc08761f","","","0.71073","MoKα","","0.1607","0.0991","","","0.1456","0.1604","","","","","","1.186","","","","has coordinates,has disorder","228250","2020-10-21","18:00:00",""
"7121022","11.5916","0.0002","14.491","0.0004","14.7866","0.0003","90","","90","","90","","2483.76","0.1","296.31","0.1","296.31","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N3 O3 -","- C28 H25 Cl N2 O3 -","- C112 H100 Cl4 N8 O12 -","4","1","","Chen, Quangang; Xie, Lihua; Li, Zhaojing; Tang, Yu; Zhao, Peng; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua","Copper/guanidine-catalyzed asymmetric alkynylation of isatin-derived ketimines.","Chemical communications (Cambridge, England)","2018","54","6","678","681","10.1039/c7cc08920a","","x-ray","1.54184","CuKα","","0.0461","0.0452","","","0.1181","0.1191","","","","","","1.056","","","","has coordinates","228244","2020-10-21","18:00:00",""
"7121023","10.578","0.0006","17.3535","0.0009","21.099","0.001","90","","96.898","0.003","90","","3845","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H39.5 Al2 Cl6 F0.5 N2 O2 P -","- C32 H39.5 Al2 Cl6 F0.5 N2 O2 P -","- C128 H158 Al8 Cl24 F2 N8 O8 P4 -","4","1","","Liu, Liu Leo; Stephan, Douglas W.","An imine-gallium Lewis pair stabilized oxophosphinidene via an unexpected phosphirene rearrangement.","Chemical communications (Cambridge, England)","2018","54","9","1041","1044","10.1039/c7cc09090k","","","0.71073","MoKα","","0.101","0.0594","","","0.1391","0.1618","","","","","","1.025","","","","has coordinates,has disorder","228404","2020-10-21","18:00:00",""
"7121024","8.6585","0.0004","13.8981","0.0006","25.9555","0.0011","90","","90","","90","","3123.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl3 Ga N2 O2 P -","- C29 H37 Cl3 Ga N2 O2 P -","- C116 H148 Cl12 Ga4 N8 O8 P4 -","4","1","","Liu, Liu Leo; Stephan, Douglas W.","An imine-gallium Lewis pair stabilized oxophosphinidene via an unexpected phosphirene rearrangement.","Chemical communications (Cambridge, England)","2018","54","9","1041","1044","10.1039/c7cc09090k","","","0.71073","MoKα","","0.0575","0.0414","","","0.0883","0.0944","","","","","","1.057","","","","has coordinates","228404","2020-10-21","18:00:00",""
"7121025","27.2432","0.0017","36.646","0.0018","21.3526","0.0011","90","","117.492","0.002","90","","18910.2","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","P3R1C4, Zn, DMF, H2O","C-butylpyrogallol[3]resorcin[1]arene, zinc, dimethylformamide, water","","- C300 H354 N12 O86 Zn18 -","- C300 H354 N12 O86 Zn18 -","- C600 H708 N24 O172 Zn36 -","2","0.25","","Zhang, Chen; Sikligar, Kanishka; Patil, Rahul S.; Barnes, Charles L.; Baker, Gary A.; Atwood, Jerry L.","A M<sub>18</sub>L<sub>6</sub> metal-organic nanocapsule with open windows using mixed macrocycles.","Chemical communications (Cambridge, England)","2018","54","6","635","637","10.1039/c7cc09294f","","","1.54178","CuKα","","0.1612","0.1407","","","0.4296","0.4756","","","","","","2.258","","","","has coordinates","228248","2020-10-21","18:00:00",""
"7121026","15.3354","0.0008","26.2108","0.0016","16.4415","0.001","90","","103.332","0.002","90","","6430.6","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H66 Cl4 Ni P4 -","- C76 H66 Cl4 Ni P4 -","- C304 H264 Cl16 Ni4 P16 -","4","2","","Shida, Naoki; Buss, Joshua A.; Agapie, Theodor","Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.","Chemical communications (Cambridge, England)","2018","54","7","767","770","10.1039/c7cc09003j","","","0.71073","MoKα","","0.0709","0.0571","","","0.1283","0.1373","","","","","","1.043","","","","has coordinates","228400","2020-10-21","18:00:00",""
"7121027","10.1578","0.0005","12.6891","0.0007","13.5459","0.0007","101.964","0.002","90.747","0.002","105.179","0.002","1644.27","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N2 Ni P2 -","- C40 H44 N2 Ni P2 -","- C80 H88 N4 Ni2 P4 -","2","1","","Shida, Naoki; Buss, Joshua A.; Agapie, Theodor","Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.","Chemical communications (Cambridge, England)","2018","54","7","767","770","10.1039/c7cc09003j","","","0.71073","MoKα","","0.0656","0.0401","","","0.0801","0.088","","","","","","1.03","","","","has coordinates","228400","2020-10-21","18:00:00",""
"7121028","17.2751","0.0011","11.6325","0.0007","18.6817","0.0012","90","","90.593","0.002","90","","3753.9","0.4","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 N2 Ni O2 P2 -","- C40 H48 Cl2 N2 Ni O2 P2 -","- C160 H192 Cl8 N8 Ni4 O8 P8 -","4","1","","Shida, Naoki; Buss, Joshua A.; Agapie, Theodor","Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.","Chemical communications (Cambridge, England)","2018","54","7","767","770","10.1039/c7cc09003j","","","0.71073","MoKα","","0.0474","0.0318","","","0.0754","0.0831","","","","","","1.046","","","","has coordinates,has disorder","228400","2020-10-21","18:00:00",""
"7121029","43.399","0.017","18.242","0.007","17.078","0.007","90","","103.322","0.005","90","","13157","9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Bi2 Co4 N4 Na8 O98 W18 -","- C14 H28 Bi2 Co4 N4 Na8 O98 W18 -","- C56 H112 Bi8 Co16 N16 Na32 O392 W72 -","4","0.5","","Gong, Lige; Yu, Li; Yu, Kai; Ding, Yong; Lv, Jinhua; Wang, Chunmei; Su, Zhanhua; Zhou, Baibin","Efficient visible light-driven water oxidation catalysts based on B-β-{BiW<sub>8</sub>O<sub>30</sub>} and unique 14-nuclear hetero-metal sandwich unit.","Chemical communications (Cambridge, England)","2018","54","6","674","677","10.1039/c7cc06064e","","","0.71073","MoKα","","0.1285","0.0697","","","0.1585","0.1865","","","","","","1.004","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7121030","10.1462","0.0006","25.7133","0.0016","14.7858","0.001","90","","108.371","0.003","90","","3660.9","0.4","104","2","104","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis-viologen Naphthalenediimide","","","- C72 H70 F24 N6 O4 P4 -","- C72 H70 F24 N6 O4 P4 -","- C144 H140 F48 N12 O8 P8 -","2","0.5","","Shukla, Jyoti; Ajayakumar, M. R.; Kumar, Yogendra; Mukhopadhyay, Pritam","Electron sponge from naphthalenediimide-viologen conjugates: water-stable, highly electron-deficient polyions with 1 V potential window.","Chemical communications (Cambridge, England)","2018","54","8","900","903","10.1039/c7cc09372a","","","0.71073","MoKα","","0.1068","0.0665","","","0.1811","0.2001","","","","","","1.239","","","","has coordinates","228101","2020-10-21","18:00:00",""
"7121031","43.399","0.017","18.242","0.007","17.078","0.007","90","","103.322","0.005","90","","13157","9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Bi2 Co4 N4 Na8 O98 W18 -","- C14 H28 Bi2 Co4 N4 Na8 O98 W18 -","- C56 H112 Bi8 Co16 N16 Na32 O392 W72 -","4","0.5","","Lionetti, Davide; Day, Victor W.; Lassalle-Kaiser, Benedikt; Blakemore, James D.","Multiple binding modes of an unconjugated bis(pyridine) ligand stabilize low-valent [Cp*Rh] complexes.","Chemical communications (Cambridge, England)","2018","54","14","1694","1697","10.1039/c7cc09164h","","","0.71073","MoKα","","0.1285","0.0697","","","0.1585","0.1865","","","","","","1.004","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7121032","17.31","0.003","12.286","0.0006","29.5628","0.0016","90","","102.028","0.009","90","","6149.1","1.2","290.83","0.1","290.83","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C72 H79 N18 O53 Tb3 Zn4 -","- C72 H79 N18 O53 Tb3 Zn4 -","- C144 H158 N36 O106 Tb6 Zn8 -","2","0.5","","Wang, Li; Xu, Cong; Han, Qingxin; Tang, Xiaoliang; Zhou, Panpan; Zhang, Ruilian; Gao, Guoshu; Xu, Benhua; Qin, Wenwu; Liu, Weisheng","Ambient chemical fixation of CO<sub>2</sub> using a highly efficient heterometallic helicate catalyst system.","Chemical communications (Cambridge, England)","2018","54","18","2212","2215","10.1039/c7cc09092g","","x-ray","0.71073","MoKα","","0.1931","0.1293","","","0.2756","0.3156","","","","","","1.106","","","","has coordinates","228439","2020-10-21","18:00:00",""
"7121033","16.7456","0.0018","12.2808","0.0004","27.4108","0.0012","90","","94.542","0.006","90","","5619.3","0.7","297.16","0.1","297.16","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C72 H79 Dy3 N18 O53 Zn4 -","- C72 H79 Dy3 N18 O53 Zn4 -","- C144 H158 Dy6 N36 O106 Zn8 -","2","0.5","","Wang, Li; Xu, Cong; Han, Qingxin; Tang, Xiaoliang; Zhou, Panpan; Zhang, Ruilian; Gao, Guoshu; Xu, Benhua; Qin, Wenwu; Liu, Weisheng","Ambient chemical fixation of CO<sub>2</sub> using a highly efficient heterometallic helicate catalyst system.","Chemical communications (Cambridge, England)","2018","54","18","2212","2215","10.1039/c7cc09092g","","x-ray","0.71073","MoKα","","0.1586","0.0843","","","0.1843","0.234","","","","","","1.031","","","","has coordinates","228439","2020-10-21","18:00:00",""
"7121034","10.0132","0.0002","10.02044","0.00019","16.0394","0.0003","90","","90","","90","","1609.34","0.05","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Fe O3 -","- C20 H18 Fe O3 -","- C80 H72 Fe4 O12 -","4","1","","Xu, Jiancong; Liu, Yang; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Palladium-catalyzed enantioselective C(sp<sup>2</sup>)-H arylation of ferrocenyl ketones enabled by a chiral transient directing group.","Chemical communications (Cambridge, England)","2018","54","6","689","692","10.1039/c7cc09273c","","","0.71073","MoKα","","0.0272","0.0248","","","0.0625","0.0662","","","","","","1.038","","","","has coordinates","228249","2020-10-21","18:00:00",""
"7121035","11.649","0.002","12.431","0.003","15.066","0.003","98.08","0.03","104.26","0.03","105.36","0.03","1988.9","0.9","113","2","113.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H31 Cl9 Fe N O3 P Pd -","- C35 H31 Cl9 Fe N O3 P Pd -","- C70 H62 Cl18 Fe2 N2 O6 P2 Pd2 -","2","1","","Xu, Jiancong; Liu, Yang; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Palladium-catalyzed enantioselective C(sp<sup>2</sup>)-H arylation of ferrocenyl ketones enabled by a chiral transient directing group.","Chemical communications (Cambridge, England)","2018","54","6","689","692","10.1039/c7cc09273c","","","0.71073","MoKα","","0.055","0.045","","","0.1188","0.1373","","","","","","1.114","","","","has coordinates,has disorder","228249","2020-10-21","18:00:00",""
"7121036","21.9081","0.0006","8.3531","0.0002","22.4426","0.0007","90","","90","","90","","4107","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H15 F6 O3 P S -","- C20 H15 F6 O3 P S -","- C160 H120 F48 O24 P8 S8 -","8","1","","Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.","Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.","Chemical communications (Cambridge, England)","2018","54","6","662","665","10.1039/c7cc09128a","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1201","0.1219","","","","","","1.062","","","","has coordinates","228247","2020-10-21","18:00:00",""
"7121037","11.4013","0.0006","11.4161","0.0006","13.9435","0.0007","81.712","0.004","76.486","0.004","89.978","0.004","1745.14","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 F6 O3 P S -","- C15 H13 F6 O3 P S -","- C60 H52 F24 O12 P4 S4 -","4","2","","Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.","Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.","Chemical communications (Cambridge, England)","2018","54","6","662","665","10.1039/c7cc09128a","","x-ray","1.54184","CuKα","","0.0339","0.0327","","","0.0865","0.0874","","","","","","1.064","","","","has coordinates,has disorder","228247","2020-10-21","18:00:00",""
"7121038","14.9837","0.0019","19.103","0.002","27.308","0.003","90","","90","","90","","7816.5","1.5","150","2","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H15 B F23 P -","- C43 H15 B F23 P -","- C344 H120 B8 F184 P8 -","8","1","","Fasano, V.; LaFortune, J. H. W.; Bayne, J. M.; Ingleson, M. J.; Stephan, D. W.","Air- and water-stable Lewis acids: synthesis and reactivity of P-trifluoromethyl electrophilic phosphonium cations.","Chemical communications (Cambridge, England)","2018","54","6","662","665","10.1039/c7cc09128a","","","0.71073","MoKα","","0.0777","0.0396","","","0.0823","0.099","","","","","","1.013","","","","has coordinates","228247","2020-10-21","18:00:00",""
"7121039","10.932","0.002","11.924","0.002","12.549","0.003","118.03","0.03","108.44","0.03","96.1","0.03","1304.8","0.8","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C38 H74 Ge2 K2 N6 O12 P2 -","- C38 H74 Ge2.0001 K2 N6 O12 P1.9999 -","- C38 H74 Ge2.0001 K2 N6 O12 P1.9999 -","1","1","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.0561","0.0452","","","0.1135","0.121","","","","","","0.973","","","","has coordinates","228601","2020-10-21","18:00:00",""
"7121040","11.8967","0.0017","11.8967","0.0017","22.394","0.005","90","","90","","120","","2744.8","0.8","100.15","","100.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 Ge7 K2 N4 O12 P2 -","- C36 H72 Ge6.9999 K2 N4 O12 P1.9998 -","- C72 H144 Ge13.9998 K4 N8 O24 P3.9996 -","2","0.166667","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.1022","0.0652","","","0.1526","0.1674","","","","","","0.877","","","","has coordinates,has disorder","228601","2020-10-21","18:00:00",""
"7121041","15.237","0.002","15.237","0.002","68.672","0.014","90","","90","","120","","13807","4","100","2","100.15","","","","","","","","","8","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C61 H116 Cd3 Ge9 K3 N6 O18 P3 -","- C61 H116 Cd3 Ge9 K3 N6 O18 P3 -","- C366 H696 Cd18 Ge54 K18 N36 O108 P18 -","6","0.5","","Mitzinger, Stefan; Bandemehr, Jascha; Reiter, Kevin; Scott McIndoe, J.; Xie, Xiulan; Weigend, Florian; Corrigan, John F.; Dehnen, Stefanie","(Ge<sub>2</sub>P<sub>2</sub>)<sup>2-</sup>: a binary analogue of P<sub>4</sub> as a precursor to the ternary cluster anion [Cd<sub>3</sub>(Ge<sub>3</sub>P)<sub>3</sub>]<sup>3</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1421","1424","10.1039/c7cc08348c","","","0.71073","MoKα","","0.084","0.0733","","","0.1743","0.1796","","","","","","1.123","","","","has coordinates,has disorder","228601","2020-10-21","18:00:00",""
"7121042","7.4039","0.0006","14.0616","0.0014","18.0481","0.0015","90","","92.372","0.007","90","","1877.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 B11 N2 O -","- C11 H23 B11 N2 O -","- C44 H92 B44 N8 O4 -","4","1","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.1434","0.0785","","","0.1811","0.2265","","","","","","1.036","","","","has coordinates,has disorder","228392","2020-10-21","18:00:00",""
"7121043","12.3385","0.0009","12.3385","0.0009","13.745","0.002","90","","90","","90","","2092.5","0.4","293","2","293.15","","","","","","","","","5","I 4/m","-I 4","87","","","","- C11 H32 B11 N O4 -","- C11 H32 B11 N O4 -","- C44 H128 B44 N4 O16 -","4","0.25","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.0694","0.054","","","0.143","0.1529","","","","","","1.11","","","","has coordinates,has disorder","228392","2020-10-21","18:00:00",""
"7121044","10.2902","0.0011","10.7001","0.0012","16.1214","0.0014","73.928","0.009","86.356","0.008","88.275","0.009","1702.1","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H51 B22 N3 -","- C20 H51 B22 N3 -","- C40 H102 B44 N6 -","2","1","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.1636","0.0845","","","0.2202","0.2915","","","","","","0.985","","","","has coordinates,has disorder","228392","2020-10-21","18:00:00",""
"7121045","7.444","0.004","7.573","0.005","9.562","0.005","91.55","0.05","106.37","0.05","91.65","0.05","516.6","0.5","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C11 H31 B11 N2 O2 -","- C11 H31 B11 N2 O2 -","- C11 H31 B11 N2 O2 -","1","1","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.1565","0.1201","","","0.2856","0.3464","","","","","","1.068","","","","has coordinates","228392","2020-10-21","18:00:00",""
"7121046","8.5061","0.0006","10.3155","0.0009","12.1216","0.0011","91.607","0.007","96.421","0.007","92.598","0.006","1055.26","0.15","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H64 B22 N4 -","- C26 H64 B22 N4 -","- C26 H64 B22 N4 -","1","0.5","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.103","0.0647","","","0.1568","0.1885","","","","","","1.022","","","","has coordinates","228392","2020-10-21","18:00:00",""
"7121047","10.435","0.0011","10.8304","0.0013","18.597","0.002","87.873","0.009","74.958","0.01","64.502","0.012","1825.3","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H58 B11 Li2 N O6 -","- C26 H58 B11 Li2 N O6 -","- C52 H116 B22 Li4 N2 O12 -","2","1","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.159","0.0844","","","0.212","0.2479","","","","","","1.017","","","","has coordinates,has disorder","228392","2020-10-21","18:00:00",""
"7121048","17.345","0.002","12.6451","0.0012","9.131","0.0007","90","","90","","90","","2002.7","0.3","170","","170","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H20 B11 Cu N4 -","- C11 H20 B11 Cu N4 -","- C44 H80 B44 Cu4 N16 -","4","0.5","","Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon","Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","14","1698","1701","10.1039/c7cc07724f","","","0.71073","MoKα","","0.067","0.046","","","0.099","0.1098","","","","","","1.055","","","","has coordinates","228392","2020-10-21","18:00:00",""
"7121049","23.4379","0.0018","5.7868","0.0005","17.474","0.0013","90","","111.709","0.003","90","","2201.9","0.3","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 P2 Pt -","- C22 H28 P2 Pt -","- C88 H112 P8 Pt4 -","4","1","","Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.","Multiply ""trapped"" <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid media.","Chemical communications (Cambridge, England)","2018","54","8","976","979","10.1039/c7cc09503a","","x-ray","0.71073","MoKα","","0.0514","0.0432","","","0.1565","0.1644","","","","","","1.211","","","","has coordinates","228108","2020-10-21","18:00:00",""
"7121050","9.2095","0.0008","14.016","0.0012","15.1618","0.0014","93.05","0.002","94.282","0.002","97.279","0.002","1932","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 P2 Pt -","- C40 H64 P2 Pt -","- C80 H128 P4 Pt2 -","2","1","","Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.","Multiply ""trapped"" <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid media.","Chemical communications (Cambridge, England)","2018","54","8","976","979","10.1039/c7cc09503a","","","0.71073","MoKα","","0.0265","0.0221","","","0.0498","0.051","","","","","","1.264","","","","has coordinates,has disorder","228108","2020-10-21","18:00:00",""
"7121051","9.2439","0.0012","14.2311","0.0018","15.107","0.002","92.836","0.003","94.533","0.003","97.557","0.002","1960.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 P2 Pt -","- C40 H64 P2 Pt -","- C80 H128 P4 Pt2 -","2","1","","Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.","Multiply ""trapped"" <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid media.","Chemical communications (Cambridge, England)","2018","54","8","976","979","10.1039/c7cc09503a","","","0.71073","MoKα","","0.0336","0.0229","","","0.053","0.0579","","","","","","1.101","","","","has coordinates,has disorder","228108","2020-10-21","18:00:00",""
"7121052","23.3735","0.0018","5.7621","0.0004","17.435","0.0013","90","","111.762","0.002","90","","2180.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 P2 Pt -","- C22 H28 P2 Pt -","- C88 H112 P8 Pt4 -","4","1","","Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.","Multiply ""trapped"" <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid media.","Chemical communications (Cambridge, England)","2018","54","8","976","979","10.1039/c7cc09503a","","x-ray","0.71073","MoKα","","0.0433","0.028","","","0.079","0.0854","","","","","","1.128","","","","has coordinates","228108","2020-10-21","18:00:00",""
"7121053","9.9192","0.0003","12.735","0.0004","19.0381","0.0006","86.0585","0.0019","80.675","0.002","83.0251","0.0018","2352.61","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H43 F12 N7 P2 Ru -","- C50 H43 F12 N7 P2 Ru -","- C100 H86 F24 N14 P4 Ru2 -","2","1","","Wang, Junsi; Lu, Yue; McCarthy, William; Conway-Kenny, Robert; Twamley, Brendan; Zhao, Jianzhang; Draper, Sylvia M.","Novel ruthenium and iridium complexes of N-substituted carbazole as triplet photosensitisers.","Chemical communications (Cambridge, England)","2018","54","9","1073","1076","10.1039/c7cc08535d","","x-ray","1.54178","CuKα","","0.064","0.0494","","","0.1277","0.138","","","","","","0.994","","","","has coordinates","228406","2020-10-21","18:00:00",""
"7121054","9.4142","0.0008","10.2389","0.0008","11.9095","0.001","87.064","0.007","67.901","0.008","71.422","0.007","1005.13","0.16","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cl Cu N4 O S -","- C21 H18 Cl Cu N4 O S -","- C42 H36 Cl2 Cu2 N8 O2 S2 -","2","1","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.0515","0.0376","","","0.0893","0.0964","","","","","","1.042","","","","has coordinates","230132","2020-10-21","18:00:00",""
"7121055","9.7938","0.0003","19.0133","0.0015","14.1848","0.0008","90","","103.517","0.004","90","","2568.2","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C38 H28 Br3 Cu2 N6 O -","- C38 H28 Br3 Cu2 N6 O -","- C76 H56 Br6 Cu4 N12 O2 -","2","0.5","","Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen","DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.","MedChemComm","2018","9","2","337","343","10.1039/c7md00462a","","","1.54184","CuKα","","0.1282","0.0794","","","0.2185","0.2373","","","","","","0.981","","","","has coordinates","230132","2020-10-21","18:00:00",""
"7121056","18.7533","0.0011","21.7745","0.0011","29.714","0.002","90","","90","","90","","12133.5","1.2","99.98","0.19","99.98","0.19","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 Cl2 N8 O8 P2 Pd -","- C52 H54 Cl2 N8 O8 P2 Pd -","- C416 H432 Cl16 N64 O64 P16 Pd8 -","8","2","","Kokan, Zoran; Kovačević, Borislav; Štefanić, Zoran; Tzvetkova, Pavleta; Kirin, Srećko I","Controlling orthogonal self-assembly through cis-trans isomerization of a non-covalent palladium complex dimer.","Chemical communications (Cambridge, England)","2018","54","17","2094","2097","10.1039/c7cc09537f","","x-ray","1.54184","CuKα","","0.1235","0.0866","","","0.2179","0.2464","","","","","","1.023","","","","has coordinates","228218","2020-10-21","18:00:00",""
"7121057","26.5106","0.0018","28.0247","0.0004","14.2981","0.001","90","","140.094","0.014","90","","6815","2","120","0.1","120","0.1","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C21 H116 K3.5 Li8 N4.5 O129 P6 W24 -","- C15 H10 K3.52 N1.5 O103.28 P6 W24 -","- C30 H20 K7.04 N3 O206.56 P12 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0848","0.0717","","","0.1753","0.1917","","","","","","1.041","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121058","26.212","0.002","28.3669","0.0006","14.158","0.0011","90","","140.132","0.016","90","","6748","2","120","0.1","120","0.1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C21 H128 Co3 K2 Li1.5 N4.5 O134 P6 W24 -","- C19 H10 Co3 K2.01 N3.5 O114.26 P6 W24 -","- C38 H20 Co6 K4.02 N7 O228.52 P12 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0509","0.0422","","","0.0962","0.1034","","","","","","1.051","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121059","26.5613","0.0017","28.3926","0.0004","14.2563","0.0009","90","","140.272","0.013","90","","6872","2","120","0.1","120","0.1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C21 H126 As2 K3.5 Li8 N4.5 O134 P4 W24 -","- C18.02 H10 As2 K3.51 N3.01 O105.04 P4 W24 -","- C36.04 H20 As4 K7.02 N6.02 O210.08 P8 W48 -","2","0.5","","Yi, Xiaofeng; Izarova, Natalya V.; Kögerler, Paul","The homometallic polyoxotungstate archetype {P<sub>4</sub>W<sub>24</sub>}.","Chemical communications (Cambridge, England)","2018","54","18","2216","2219","10.1039/c7cc09175c","","","0.71073","MoKα","","0.0655","0.0483","","","0.1132","0.1268","","","","","","1.023","","","","has coordinates","228442","2020-10-21","18:00:00",""
"7121060","7.1137","0.0003","10.3359","0.0004","16.6178","0.0007","107.749","0.004","93.455","0.003","100.269","0.004","1136.45","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H31 Br3 O8 Sn -","- C14 H31 Br3 O8 Sn -","- C28 H62 Br6 O16 Sn2 -","2","1","","Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus","Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.","Chemical communications (Cambridge, England)","2018","54","7","739","742","10.1039/c7cc09263f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0589","0.0616","","","","","","1.034","","","","has coordinates,has disorder","228397","2020-10-21","18:00:00",""
"7121061","7.1523","0.0015","10.2096","0.0018","16.569","0.004","72.642","0.011","80.828","0.006","79.071","0.012","1127","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Trichloro-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-stannane","","- C14 H31 Cl3 O8 Sn -","- C14 H31 Cl3 O8 Sn -","- C28 H62 Cl6 O16 Sn2 -","2","1","","Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus","Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.","Chemical communications (Cambridge, England)","2018","54","7","739","742","10.1039/c7cc09263f","","","0.71073","MoKα","","0.1553","0.0299","","","0.0542","0.0729","","","","","","0.42","","","","has coordinates","228397","2020-10-21","18:00:00",""
"7121062","9.4436","0.0004","14.3024","0.0007","18.053","0.0008","90","","98.649","0.002","90","","2410.62","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dibromo-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-phenylstannane","","- C20 H32 Br2 O6 Sn -","- C20 H32 Br2 O6 Sn -","- C80 H128 Br8 O24 Sn4 -","4","1","","Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus","Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.","Chemical communications (Cambridge, England)","2018","54","7","739","742","10.1039/c7cc09263f","","","0.71073","MoKα","","0.0587","0.0452","","","0.1461","0.1532","","","","","","1.573","","","","has coordinates,has disorder","228397","2020-10-21","18:00:00",""
"7121063","10.8696","0.0008","32.808","0.003","16.1991","0.0013","90","","95.866","0.004","90","","5746.5","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dichloro-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-phenylstannane bis(triphenylphosphine)iminium chloride complex","","- C56.5 H63 Cl4 N O6 P2 Sn -","- C56.5 H63 Cl4 N O6 P2 Sn -","- C226 H252 Cl16 N4 O24 P8 Sn4 -","4","1","","Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus","Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.","Chemical communications (Cambridge, England)","2018","54","7","739","742","10.1039/c7cc09263f","","","0.71073","MoKα","","0.1794","0.0545","","","0.1434","0.1971","","","","","","0.831","","","","has coordinates","228397","2020-10-21","18:00:00",""
"7121064","13.1138","0.0007","14.1448","0.0011","14.5344","0.0011","90","","107.462","0.004","90","","2571.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diiodo-(1,4,7,10,13,16-hexaoxa-cyclononadec-18-ylmethyl)-phenylstannane","","- C20 H32 I2 O6 Sn -","- C20 H32 I2 O6 Sn -","- C80 H128 I8 O24 Sn4 -","4","1","","Tagne Kuate, Alain Charly; Naseer, Muhammad Moazzam; Lutter, Michael; Jurkschat, Klaus","Interplay of Lewis acidity, intramolecular O→Sn interactions and selectivity: organotin-functionalized crown ethers as ditopic hosts for sodium and potassium halides.","Chemical communications (Cambridge, England)","2018","54","7","739","742","10.1039/c7cc09263f","","","0.71073","MoKα","","0.081","0.0267","","","0.0484","0.0563","","","","","","0.48","","","","has coordinates","228397","2020-10-21","18:00:00",""
"7121065","10.057","0.002","11.481","0.0018","12.6213","0.0012","87.52","0.011","68.565","0.015","88.715","0.016","1355.2","0.4","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Yuan, Ziyun; Hu, Xiaojun; Zhang, Hao; Liu, Lin; Chen, Peng; He, Min; Xie, Xingang; Wang, Xiaolei; She, Xuegong","Total synthesis of conosilane A via a site-selective C-H functionalization strategy.","Chemical communications (Cambridge, England)","2018","54","8","912","915","10.1039/c7cc09367e","","","0.71073","MoKα","","0.24","0.0862","","","0.1365","0.2114","","","","","","0.979","","","","has coordinates","228102","2020-10-21","18:00:00",""
"7121066","8.6634","0.0002","13.9649","0.0004","19.5079","0.0006","90","","90","","90","","2360.13","0.11","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl4 F6 Rh -","- C22 H15 Cl4 F6 Rh -","- C88 H60 Cl16 F24 Rh4 -","4","1","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","x-ray","0.71073","MoKα","","0.042","0.0311","","","0.0588","0.0651","","","","","","1.029","","","","has coordinates","228105","2020-10-21","18:00:00",""
"7121067","8.8736","0.0004","9.2267","0.0003","16.5011","0.0007","85.672","0.004","75.218","0.004","61.708","0.004","1148.61","0.09","294","","294","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 F10 N Rh -","- C24 H18 F10 N Rh -","- C48 H36 F20 N2 Rh2 -","2","1","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","","1.54184","CuKα","","0.0337","0.0309","","","0.078","0.0805","","","","","","1.048","","","","has coordinates","228105","2020-10-21","18:00:00",""
"7121068","11.1207","0.0009","11.2919","0.0008","16.0905","0.001","89.827","0.006","70.323","0.007","65.775","0.008","1713.4","0.3","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl4 F6 O2 Rh2 -","- C32 H32 Cl4 F6 O2 Rh2 -","- C64 H64 Cl8 F12 O4 Rh4 -","2","1","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","x-ray","0.71073","MoKα","","0.0562","0.0373","","","0.0728","0.0858","","","","","","1.072","","","","has coordinates","228105","2020-10-21","18:00:00",""
"7121069","10.8682","0.0005","16.2215","0.0007","18.4548","0.0008","90","","92.287","0.004","90","","3251","0.2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 F10 O2 Rh2 -","- C32 H32 F10 O2 Rh2 -","- C128 H128 F40 O8 Rh8 -","4","1","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","x-ray","0.71073","MoKα","","0.0663","0.0391","","","0.0755","0.0901","","","","","","1.045","","","","has coordinates","228105","2020-10-21","18:00:00",""
"7121070","12.1906","0.0002","18.7742","0.0003","9.17539","0.00017","90","","90","","90","","2099.96","0.06","294","","294","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C22 H15 F10 Rh -","- C22 H15 F10 Rh -","- C88 H60 F40 Rh4 -","4","0.5","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","","1.54184","CuKα","","0.0536","0.0449","","","0.116","0.1249","","","","","","1.058","","","","has coordinates,has disorder","228105","2020-10-21","18:00:00",""
"7121071","8.5254","0.0005","25.7341","0.0015","16.0537","0.0012","90","","100.564","0.002","90","","3462.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 N O -","- C46 H47 N O -","- C184 H188 N4 O4 -","4","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.1258","0.0589","","","0.1313","0.1627","","","","","","1.02","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121072","36.523","0.0012","15.6316","0.0006","22.9906","0.0008","90","","126.826","0.001","90","","10506.5","0.7","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C134 H146 N4 Sr2 -","- C134 H146 N4 Sr2 -","- C536 H584 N16 Sr8 -","4","0.5","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0925","0.0509","","","0.1206","0.1408","","","","","","1.022","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121073","17.6472","0.0009","22.0745","0.0011","10.8828","0.0006","90","","90","","90","","4239.4","0.4","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C52 H58 N2 -","- C52 H58 N2 -","- C208 H232 N8 -","4","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0783","0.0503","","","0.1086","0.1234","","","","","","1.044","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121074","10.92","0.002","36.006","0.007","13.878","0.003","90","","103.99","0.03","90","","5294.8","1.9","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H79 Mg N2 -","- C65 H79 Mg N2 -","- C260 H316 Mg4 N8 -","4","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0951","0.0746","","","0.1777","0.1919","","","","","","1.042","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121075","15.8039","0.0004","16.4093","0.0004","19.9724","0.0005","91.713","0.001","104.171","0.001","92.271","0.001","5013.7","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H144 Mg2 N4 -","- C118 H144 Mg2 N4 -","- C236 H288 Mg4 N8 -","2","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0965","0.0538","","","0.1295","0.1499","","","","","","1.027","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121076","11.944","0.0003","23.984","0.0006","20.6946","0.0004","90","","104.147","0.001","90","","5748.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H81 N3 Si2 Sr -","- C64 H81 N3 Si2 Sr -","- C256 H324 N12 Si8 Sr4 -","4","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0774","0.0432","","","0.0885","0.1017","","","","","","1.018","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121077","10.617","0.002","13.06","0.003","18.769","0.004","88.61","0.03","78.2","0.03","77.65","0.03","2488","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H73 Mg N2 -","- C59 H73 Mg N2 -","- C118 H146 Mg2 N4 -","2","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.7108","Synchrotron","","0.0893","0.074","","","0.2008","0.2128","","","","","","1.046","","","","has coordinates,has disorder","228399","2020-10-21","18:00:00",""
"7121078","11.0746","0.0005","14.6742","0.0006","19.4655","0.0008","100.224","0.002","99.4","0.002","108.468","0.002","2870","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H79 K N2 -","- C72 H79 K N2 -","- C144 H158 K2 N4 -","2","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.0901","0.0532","","","0.1303","0.1507","","","","","","1.045","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121079","10.7693","0.0007","13.8287","0.0007","18.7281","0.0009","97.154","0.002","93.116","0.002","112.207","0.002","2546.4","0.2","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H72 N2 -","- C65 H72 N2 -","- C130 H144 N4 -","2","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.71073","MoKα","","0.1314","0.0702","","","0.1656","0.1996","","","","","","1.023","","","","has coordinates","228399","2020-10-21","18:00:00",""
"7121080","13.67","0.003","17.829","0.004","20.639","0.004","99.12","0.03","94.2","0.03","92.82","0.03","4943.8","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C118.5 H137.5 Mg2 N4 -","- C118.5 H137.5 Mg2 N4 -","- C237 H275 Mg4 N8 -","2","1","","de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron","Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.","Chemical communications (Cambridge, England)","2018","54","7","786","789","10.1039/c7cc09362d","","","0.7108","Synchrotron","","0.0608","0.0544","","","0.1494","0.1549","","","","","","1.039","","","","has coordinates,has disorder","228399","2020-10-21","18:00:00",""
"7121081","14.0656","0.0009","14.8922","0.001","17.0774","0.001","71.093","0.006","76.182","0.005","65.437","0.006","3055.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C69 H82 O11 -","- C69 H82 O11 -","- C138 H164 O22 -","2","1","","Han, Bin; Zhu, Linpeng; Wang, Xi; Bai, Ming; Jiang, Jianzhuang","Conformation-controlled emission of AIE luminogen: a tetraphenylethene embedded pillar[5]arene skeleton.","Chemical communications (Cambridge, England)","2018","54","7","837","840","10.1039/c7cc08561c","","","1.54184","CuKα","","0.0912","0.0802","","","0.2303","0.2433","","","","","","1.04","","","","has coordinates","228398","2020-10-21","18:00:00",""
"7121082","12.1005","0.0003","23.9666","0.0004","26.7943","0.0006","66.5281","0.0019","81.376","0.002","83.4678","0.0018","7034.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C154 H179 N6 O20 -","- C154 H179 N6 O20 -","- C308 H358 N12 O40 -","2","1","","Han, Bin; Zhu, Linpeng; Wang, Xi; Bai, Ming; Jiang, Jianzhuang","Conformation-controlled emission of AIE luminogen: a tetraphenylethene embedded pillar[5]arene skeleton.","Chemical communications (Cambridge, England)","2018","54","7","837","840","10.1039/c7cc08561c","","","1.54184","CuKα","","0.1154","0.0941","","","0.288","0.3012","","","","","","1.048","","","","has coordinates","228398","2020-10-21","18:00:00",""
"7121083","12.0322","0.001","13.1344","0.001","16.6364","0.0013","70.528","0.002","69.876","0.002","85.758","0.002","2325","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Calix[4]pyrrole-mono-carboxylate","","","- C48 H75 N7 O2 -","- C48 H75 N7 O2 -","- C96 H150 N14 O4 -","2","1","","Amharar, Sana; Yuvayapan, Samet; Aydogan, Abdullah","A thermoresponsive supramolecular polymer gel from a heteroditopic calix[4]pyrrole.","Chemical communications (Cambridge, England)","2018","54","7","829","832","10.1039/c7cc08607e","","","0.71073","MoKα","","0.06","0.0474","","","0.1133","0.1233","","","","","","1.014","","","","has coordinates,has disorder","228396","2020-10-21","18:00:00",""
"7121084","28.4167","0.0007","28.4167","0.0007","19.3922","0.001","90","","90","","120","","13561.4","0.8","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H163 Cl18 N42 O84 Tb6 Zn6 -","- C126 H102 Cl18.0002 N42 O85.0002 Tb6 Zn6 -","- C252 H204 Cl36.0004 N84 O170 Tb12 Zn12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.1394","0.0838","","","0.2403","0.2927","","","","","","1.027","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7121085","28.181","0.0011","28.181","0.0011","20.0915","0.0015","90","","90","","120","","13818.3","1.3","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H115 Cl17 Cu6 N42 O51 Tb6 -","- C126 H102 Cl17 Cu6 N42 O51 Tb6 -","- C252 H204 Cl34 Cu12 N84 O102 Tb12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.117","0.0714","","","0.2162","0.2606","","","","","","1.028","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7121086","28.4167","0.0007","28.4167","0.0007","19.3922","0.001","90","","90","","120","","13561.4","0.8","296","2","296.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C126 H163 Cl18 Dy6 N42 O84 Zn6 -","- C126 H102 Cl18.0002 Dy6 N42 O85.0002 Zn6 -","- C252 H204 Cl36.0004 Dy12 N84 O170 Zn12 -","2","0.166667","","Wu, Jianfeng; Li, Xiao-Lei; Guo, Mei; Zhao, Lang; Zhang, Yi-Quan; Tang, Jinkui","Realization of toroidal magnetic moments in heterometallic 3d-4f metallocycles.","Chemical communications (Cambridge, England)","2018","54","9","1065","1068","10.1039/c7cc09391h","","","0.71073","MoKα","","0.1048","0.071","","","0.2055","0.2406","","","","","","1.035","","","","has coordinates","228402","2020-10-21","18:00:00",""
"7121087","8.2494","0.001","13.4963","0.0014","27.994","0.004","90","","90","","90","","3116.8","0.7","293","2","293","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","Unknown","","- C35 H32 N2 O5 S2 -","- C35 H32 N2 O5 S2 -","- C140 H128 N8 O20 S8 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of 2,4-disubstituted imidazolidines via domino addition-aza-Michael reaction.","Chemical communications (Cambridge, England)","2018","54","8","964","967","10.1039/c7cc08338f","","x-ray","0.71073","MoKα","","0.2377","0.1015","","","0.1361","0.1812","","","","","","1.071","","","","has coordinates","228104","2020-10-21","18:00:00",""
"7121088","25.456","0.004","20.581","0.003","13.704","0.002","90","","90","","90","","7179.7","1.9","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C68 H36 Cd3 N9 O18 -","- C68 H36 Cd3 N9 O18 -","- C272 H144 Cd12 N36 O72 -","4","0.5","","Wang, Jian; Liu, Yanhong; Jiang, Min; Li, Yang; Xia, Lingling; Wu, Pengyan","Aldehyde-functionalized metal-organic frameworks for selective sensing of homocysteine over Cys, GSH and other natural amino acids.","Chemical communications (Cambridge, England)","2018","54","8","1004","1007","10.1039/c7cc08414e","","","0.71075","MoKα","","0.1422","0.1099","","","0.2973","0.3314","","","","","","1.035","","","","has coordinates","228106","2020-10-21","18:00:00",""
"7121089","23.0662","0.0016","28.863","0.003","14.2661","0.001","90","","96.368","0.007","90","","9439.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","CB7_B12H11OH","","- C42 H86 B24 N28 O24 -","- C42 H66 B24 N28 O24.0022 -","- C168 H264 B96 N112 O96.0088 -","4","0.5","","Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I.; Zhang, Haibo","The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks.","Chemical communications (Cambridge, England)","2018","54","17","2098","2101","10.1039/c7cc08078f","","","1.54178","CuKα","","0.3133","0.1904","","","0.3572","0.4271","","","","","","1.062","","","","has coordinates","228216","2020-10-21","18:00:00",""
"7121090","12.604","0.0006","14.9311","0.0006","26.8894","0.0014","86.075","0.004","79.443","0.004","87.306","0.003","4960","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","CB6_B12H12","","- C121 H207 B24 N77 O57 -","- C121 H162 B24 N77 O57 -","- C121 H162 B24 N77 O57 -","1","0.5","","Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I.; Zhang, Haibo","The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks.","Chemical communications (Cambridge, England)","2018","54","17","2098","2101","10.1039/c7cc08078f","","","0.71073","MoKα","","0.2079","0.1593","","","0.3507","0.3731","","","","","","1.066","","","","has coordinates","228216","2020-10-21","18:00:00",""
"7121091","18.2093","0.0006","17.9662","0.0005","27.607","0.0009","90","","90.792","0.002","90","","9030.8","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","CB7_B12Cl12","","- C42 H54 B12 Cl12 N28 Na2 O20 -","- C42 H42 B12 Cl12 N28 Na2 O20 -","- C168 H168 B48 Cl48 N112 Na8 O80 -","4","0.5","","Wang, Wenjing; Wang, Xiaoqiang; Cao, Jin; Liu, Jun; Qi, Bin; Zhou, Xiaohai; Zhang, Shuai; Gabel, Detlef; Nau, Werner M.; Assaf, Khaleel I.; Zhang, Haibo","The chaotropic effect as an orthogonal assembly motif for multi-responsive dodecaborate-cucurbituril supramolecular networks.","Chemical communications (Cambridge, England)","2018","54","17","2098","2101","10.1039/c7cc08078f","","","0.71073","MoKα","","0.1509","0.1119","","","0.2674","0.2795","","","","","","1.004","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7121092","9.8235","0.0005","11.3232","0.0004","19.8873","0.0011","96.254","0.003","91.689","0.004","115.381","0.004","1979.56","0.18","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H64 Bi N3 O2 Si2 -","- C37 H64 Bi N3 O2 Si2 -","- C74 H128 Bi2 N6 O4 Si4 -","2","1","","Schwamm, R. J.; Lein, M.; Coles, M. P.; Fitchett, C. M.","Catalytic oxidative coupling promoted by bismuth TEMPOxide complexes.","Chemical communications (Cambridge, England)","2018","54","8","916","919","10.1039/c7cc08402a","","x-ray","0.71073","MoKα","","0.045","0.0375","","","0.0825","0.0869","","","","","","1.027","","","","has coordinates","228103","2020-10-21","18:00:00",""
"7121093","11.8697","0.0003","17.1607","0.0004","13.7508","0.0003","90","","90","","90","","2800.93","0.11","120","0.1","120","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H48 Bi N3 O2 Si2 -","- C21 H48 Bi N3 O2 Si2 -","- C84 H192 Bi4 N12 O8 Si8 -","4","0.5","","Schwamm, R. J.; Lein, M.; Coles, M. P.; Fitchett, C. M.","Catalytic oxidative coupling promoted by bismuth TEMPOxide complexes.","Chemical communications (Cambridge, England)","2018","54","8","916","919","10.1039/c7cc08402a","","x-ray","0.71073","MoKα","","0.0309","0.0242","","","0.0498","0.0521","","","","","","1.036","","","","has coordinates,has disorder","228103","2020-10-21","18:00:00",""
"7121094","10.1772","0.0007","7.8477","0.0005","15.407","0.0009","90","","108.891","0.004","90","","1164.24","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 B N -","- C16 H12 B N -","- C64 H48 B4 N4 -","4","1","","Abengózar, Alberto; García-García, Patricia; Sucunza, David; Pérez-Redondo, Adrián; Vaquero, Juan J.","Synthesis of functionalized helical BN-benzo[c]phenanthrenes.","Chemical communications (Cambridge, England)","2018","54","20","2467","2470","10.1039/c7cc09264d","","x-ray","0.71073","MoKα","","0.099","0.0557","","","0.1239","0.1524","","","","","","1.058","","","","has coordinates","228347","2020-10-21","18:00:00",""
"7121095","6.776","0.002","10.643","0.003","11.371","0.004","90.537","0.011","106.826","0.009","94.317","0.008","782.3","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C38 H36 O6 -","2","1","","Yang, Jianguo; Mo, Hanjie; Wu, Haijian; Cao, Dongdong; Pan, Chengmin; Wang, Zhiming","An elimination/Heck coupling/allylation cascade reaction: synthesis of 2,3-dihydrobenzofurans from allenoate adducts.","Chemical communications (Cambridge, England)","2018","54","10","1213","1216","10.1039/c7cc07435b","","","0.71073","MoKα","","0.1633","0.0586","","","0.1347","0.2079","","","","","","0.875","","","","has coordinates","227999","2020-10-21","18:00:00",""
"7121096","28.8139","0.0016","8.5704","0.0004","13.5865","0.0007","90","","102.756","0.005","90","","3272.3","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 N3 -","- C42 H39 N3 -","- C168 H156 N12 -","4","1","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","CuKα","K-L~2,3~","0.0824","0.0565","","","0.1415","0.1609","","","","","","1.029","","","","has coordinates","228433","2020-10-21","18:00:00",""
"7121097","12.1323","0.0009","13.7056","0.0011","14.2286","0.0011","90.659","0.007","106.001","0.007","103.336","0.007","2205.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H60 N3 Na O -","- C52 H60 N3 Na O -","- C104 H120 N6 Na2 O2 -","2","1","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","CuKα","","0.1166","0.0808","","","0.227","0.2593","","","","","","1.052","","","","has coordinates,has disorder","228433","2020-10-21","18:00:00",""
"7121098","9.6343","0.0003","22.846","0.0008","13.1641","0.0004","90","","91.402","0.003","90","","2896.62","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 B2 K N -","- C2 H12 B2 K N -","- C32 H192 B32 K16 N16 -","16","4","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","CuKα","","0.1098","0.0867","","","0.218","0.2395","","","","","","1.083","","","","has coordinates,has disorder","228433","2020-10-21","18:00:00",""
"7121099","11.67","0.003","11.773","0.002","12.928","0.004","80.79","0.02","85.14","0.02","78.098","0.018","1713.1","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H76 K2 N6 -","- C84 H76 K2 N6 -","- C84 H76 K2 N6 -","1","0.5","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","CuKα","","0.2312","0.1335","","","0.3116","0.3859","","","","","","1.042","","","","has coordinates","228433","2020-10-21","18:00:00",""
"7121100","13.65773","0.00016","21.7068","0.0003","14.23975","0.00017","90","","105.074","0.0012","90","","4076.34","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H55 Li N3 O -","- C50 H55 Li N3 O -","- C200 H220 Li4 N12 O4 -","4","1","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","","K-L~2,3~","0.0565","0.0479","","","0.1234","0.1304","","","","","","1.017","","","","has coordinates,has disorder","228433","2020-10-21","18:00:00",""
"7121101","12.023","0.008","12.802","0.01","13.927","0.007","66.18","0.06","76.98","0.05","73.37","0.06","1864","2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 Li N3 O -","- C46 H46 Li N3 O -","- C92 H92 Li2 N6 O2 -","2","1","","Nolla-Saltiel, Roberto; Geer, Ana M.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Dehydrogenation of dimethylamine-borane mediated by Group 1 pincer complexes.","Chemical communications (Cambridge, England)","2018","54","15","1825","1828","10.1039/c7cc08385h","","x-ray","1.54184","CuKα","","0.1929","0.0967","","","0.1784","0.2415","","","","","","0.862","","","","has coordinates","228433","2020-10-21","18:00:00",""
"7121102","12.5288","0.0007","13.8891","0.001","14.9538","0.0011","86.929","0.003","67.15","0.003","68.829","0.003","2224.7","0.3","113","","113","","","","","","","","","6","P -1","-P 1","2","","[Nd(tpyPyBTMprime)(NO3)2(H2O)](CH3CN)2","","- C37 H24 Cl7 N9 Nd O10 -","- C37 H24 Cl7 N9 Nd O10 -","- C74 H48 Cl14 N18 Nd2 O20 -","2","1","","Hattori, Yohei; Kimura, Shun; Kusamoto, Tetsuro; Maeda, Hiroaki; Nishihara, Hiroshi","Cation-responsive turn-on fluorescence and absence of heavy atom effects of pyridyl-substituted triarylmethyl radicals.","Chemical communications (Cambridge, England)","2018","54","6","615","618","10.1039/c7cc08568k","","","0.7107","MoKα","","","0.0375","","","","0.1031","","","","","","1.07","","","","has coordinates","228246","2020-10-21","18:00:00",""
"7121103","4.8725","0.0017","5.548","0.003","16.422","0.006","85.972","0.012","89.944","0.008","64.398","0.008","399.1","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Compound1","","","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","1","0.5","","Roy, Arundhati; Gautam, Amitosh; Malla, Javid Ahmad; Sarkar, Sohini; Mukherjee, Arnab; Talukdar, Pinaki","Self-assembly of small-molecule fumaramides allows transmembrane chloride channel formation.","Chemical communications (Cambridge, England)","2018","54","16","2024","2027","10.1039/c7cc08693h","","","0.71073","MoKα","","0.0849","0.0582","","","0.1558","0.1741","","","","","","1.083","","","","has coordinates","228289","2020-10-21","18:00:00",""
"7121104","12.621","0.005","6.553","0.003","9.876","0.004","90","","109.417","0.011","90","","770.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound3b","","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C32 H52 N4 O4 -","2","0.5","","Roy, Arundhati; Gautam, Amitosh; Malla, Javid Ahmad; Sarkar, Sohini; Mukherjee, Arnab; Talukdar, Pinaki","Self-assembly of small-molecule fumaramides allows transmembrane chloride channel formation.","Chemical communications (Cambridge, England)","2018","54","16","2024","2027","10.1039/c7cc08693h","","","0.71073","MoKα","","0.1049","0.0558","","","0.1277","0.1438","","","","","","1.212","","","","has coordinates","228289","2020-10-21","18:00:00",""
"7121105","9.9736","0.0015","23.058","0.003","14.051","0.002","90","","90.562","0.003","90","","3231.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C128 H208 N16 O16 -","8","2","","Roy, Arundhati; Gautam, Amitosh; Malla, Javid Ahmad; Sarkar, Sohini; Mukherjee, Arnab; Talukdar, Pinaki","Self-assembly of small-molecule fumaramides allows transmembrane chloride channel formation.","Chemical communications (Cambridge, England)","2018","54","16","2024","2027","10.1039/c7cc08693h","","","0.71073","MoKα","","0.1241","0.057","","","0.1439","0.1885","","","","","","0.972","","","","has coordinates","228289","2020-10-21","18:00:00",""
"7121106","10.342","0.012","10.946","0.006","13.488","0.007","112.29","0.006","104.243","0.008","97.077","0.009","1328.9","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H39 N O Si -","- C29 H39 N O Si -","- C58 H78 N2 O2 Si2 -","2","1","","Yang, Yuan; Song, Ren-Jie; Li, Yang; Ouyang, Xuan-Hui; Li, Jin-Heng; He, De-Liang","Oxidative radical divergent Si-incorporation: facile access to Si-containing heterocycles.","Chemical communications (Cambridge, England)","2018","54","12","1441","1444","10.1039/c7cc08964c","","","0.71073","MoKα","","0.0876","0.061","","","0.1592","0.1819","","","","","","1.036","","","","has coordinates,has disorder","228602","2020-10-21","18:00:00",""
"7121107","10.4692","0.0007","11.8609","0.0008","12.6888","0.0009","109.32","0.001","90.071","0.001","92.834","0.001","1484.81","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 N O Si3 -","- C30 H37 N O Si3 -","- C60 H74 N2 O2 Si6 -","2","1","","Yang, Yuan; Song, Ren-Jie; Li, Yang; Ouyang, Xuan-Hui; Li, Jin-Heng; He, De-Liang","Oxidative radical divergent Si-incorporation: facile access to Si-containing heterocycles.","Chemical communications (Cambridge, England)","2018","54","12","1441","1444","10.1039/c7cc08964c","","","0.71073","MoKα","","0.0501","0.0424","","","0.1141","0.1212","","","","","","1.039","","","","has coordinates","228602","2020-10-21","18:00:00",""
"7121108","15.2467","0.0012","12.7713","0.001","14.1931","0.0011","90","","111.921","0.001","90","","2563.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N O S Si3 -","- C23 H33 N O S Si3 -","- C92 H132 N4 O4 S4 Si12 -","4","1","","Yang, Yuan; Song, Ren-Jie; Li, Yang; Ouyang, Xuan-Hui; Li, Jin-Heng; He, De-Liang","Oxidative radical divergent Si-incorporation: facile access to Si-containing heterocycles.","Chemical communications (Cambridge, England)","2018","54","12","1441","1444","10.1039/c7cc08964c","","","0.71073","MoKα","","0.065","0.0555","","","0.1431","0.1519","","","","","","1.053","","","","has coordinates,has disorder","228602","2020-10-21","18:00:00",""
"7121109","10.394","0.005","14.012","0.008","15.316","0.007","90","","97.53","0.04","90","","2211.4","1.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Al2 Br2 -","- C20 H30 Al2 Br2 -","- C80 H120 Al8 Br8 -","4","1","","Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger","Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.","Chemical communications (Cambridge, England)","2018","54","13","1639","1642","10.1039/c7cc09596a","","","0.71073","MoKα","","0.0618","0.0443","","","0.1036","0.1115","","","","","","1.007","","","","has coordinates","228386","2020-10-21","18:00:00",""
"7121110","8.6234","0.002","11.477","0.005","18.064","0.007","101.19","0.02","91.52","0.02","110.23","0.02","1637.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Al2 Br2 N2 -","- C32 H50 Al2 Br2 N2 -","- C64 H100 Al4 Br4 N4 -","2","1","","Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger","Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.","Chemical communications (Cambridge, England)","2018","54","13","1639","1642","10.1039/c7cc09596a","","","0.71073","MoKα","","0.0613","0.0424","","","0.1095","0.1213","","","","","","1.034","","","","has coordinates","228386","2020-10-21","18:00:00",""
"7121111","9.136","0.004","8.291","0.003","16.801","0.008","90","","101.961","0.015","90","","1245","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Al2 Br2 -","- C24 H36 Al2 Br2 -","- C48 H72 Al4 Br4 -","2","0.5","","Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger","Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.","Chemical communications (Cambridge, England)","2018","54","13","1639","1642","10.1039/c7cc09596a","","","0.71073","MoKα","","0.044","0.0388","","","0.0881","0.0896","","","","","","1.257","","","","has coordinates,has disorder","228386","2020-10-21","18:00:00",""
"7121112","8.88","0.006","14.563","0.009","10.658","0.01","90","","110.01","0.04","90","","1295.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Al2 Br2 N -","- C26 H35 Al2 Br2 N -","- C52 H70 Al4 Br4 N2 -","2","1","","Hofmann, Alexander; Lamprecht, Anna; González-Belman, Oscar F; Dewhurst, Rian D.; Jiménez-Halla, J Oscar C; Kachel, Stephanie; Braunschweig, Holger","Dialumination of unsaturated species with a reactive bis(cyclopentadienyl) dialane.","Chemical communications (Cambridge, England)","2018","54","13","1639","1642","10.1039/c7cc09596a","","","0.71073","MoKα","","0.0861","0.0564","","","0.1061","0.1164","","","","","","1.008","","","","has coordinates","228386","2020-10-21","18:00:00",""
"7121113","6.41","0.0004","12.0057","0.0009","22.2391","0.0015","90","","90","","90","","1711.4","0.2","170","","170","","","","","","","","N/A","4","P 21 21 21","P 2ac 2ab","19","YQZ-132-A","(3S,4a'R,5a'S)-6-methoxy-1'-methyl-4',4a',5',5a',7',8'-hexahydro-3'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-2,10'-dione","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Yu, Qingzhen; Guo, Pan; Jian, Jie; Chen, Yuye; Xu, Jing","Nine-step total synthesis of (-)-strychnofoline.","Chemical communications (Cambridge, England)","2018","54","9","1125","1128","10.1039/c7cc08938d","","","1.54178","CuKα","","0.0313","0.0311","","","0.0817","0.0819","","","","","","1.089","","","","has coordinates","228403","2020-10-21","18:00:00",""
"7121114","7.7601","0.0003","11.4659","0.0004","14.7078","0.0005","90","","90","","90","","1308.65","0.08","293.47","0.1","293.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Yang, Qian-Qian; Xiao, Wei; Du, Wei; Ouyang, Qin; Chen, Ying-Chun","Asymmetric [4+2] annulations to construct norcamphor scaffolds with 2-cyclopentenone via double amine-thiol catalysis.","Chemical communications (Cambridge, England)","2018","54","9","1129","1132","10.1039/c7cc09221k","","x-ray","1.54184","CuKα","","0.0528","0.0522","","","0.1269","0.128","","","","","","1.117","","","","has coordinates","228405","2020-10-21","18:00:00",""
"7121115","11.2498","0.0012","12.7345","0.0014","16.7793","0.0019","70.203","0.002","82.01","0.002","81.806","0.003","2228","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O2 S -","- C28 H24 N2 O2 S -","- C112 H96 N8 O8 S4 -","4","2","","Liu, Ruixing; Wang, Qiang; Wei, Yin; Shi, Min","Synthesis of indolizine derivatives containing eight-membered rings via a gold-catalyzed two-fold hydroarylation of diynes.","Chemical communications (Cambridge, England)","2018","54","10","1225","1228","10.1039/c7cc09250d","","","0.71073","MoKα","","0.1006","0.0634","","","0.1448","0.1657","","","","","","1.035","","","","has coordinates","228004","2020-10-21","18:00:00",""
"7121116","9.219","0.002","10.845","0.002","10.965","0.002","91.398","0.004","102.876","0.005","92.881","0.005","1066.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C54 H44 N4 O4 S2 -","2","1","","Liu, Ruixing; Wang, Qiang; Wei, Yin; Shi, Min","Synthesis of indolizine derivatives containing eight-membered rings via a gold-catalyzed two-fold hydroarylation of diynes.","Chemical communications (Cambridge, England)","2018","54","10","1225","1228","10.1039/c7cc09250d","","","0.71073","MoKα","","0.0933","0.0576","","","0.133","0.1529","","","","","","1.001","","","","has coordinates","228004","2020-10-21","18:00:00",""
"7121117","14.938","0.005","7.167","0.002","19.366","0.007","90","","90.97","0.007","90","","2073","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O2 S -","- C27 H22 N2 O2 S -","- C108 H88 N8 O8 S4 -","4","1","","Liu, Ruixing; Wang, Qiang; Wei, Yin; Shi, Min","Synthesis of indolizine derivatives containing eight-membered rings via a gold-catalyzed two-fold hydroarylation of diynes.","Chemical communications (Cambridge, England)","2018","54","10","1225","1228","10.1039/c7cc09250d","","","0.71073","MoKα","","0.1244","0.0918","","","0.1966","0.2137","","","","","","1.165","","","","has coordinates","228004","2020-10-21","18:00:00",""
"7121118","12.716","0.0014","18.419","0.002","24.254","0.002","90","","92.238","0.003","90","","5676.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","IPr*CuOH","","- C73 H65 Cu N2 O2 -","- C73 H65 Cu N2 O2 -","- C292 H260 Cu4 N8 O8 -","4","1","","Bagherzadeh, Sharareh; Mankad, Neal P.","Oxidation of a [Cu<sub>2</sub>S] complex by N<sub>2</sub>O and CO<sub>2</sub>: insights into a role of tetranuclearity in the Cu<sub>Z</sub> site of nitrous oxide reductase.","Chemical communications (Cambridge, England)","2018","54","9","1097","1100","10.1039/c7cc09067f","","","0.71073","","","0.0893","0.0704","","","0.1726","0.1871","","","","","","1.034","","","","has coordinates","228401","2020-10-21","18:00:00",""
"7121119","26.864","0.01","28.131","0.011","18.999","0.007","90","","90","","90","","14358","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C158.5 H154 Cu2 N4 S3 -","- C139 H112 Cu2 N4 S3 -","- C556 H448 Cu8 N16 S12 -","4","0.5","","Bagherzadeh, Sharareh; Mankad, Neal P.","Oxidation of a [Cu<sub>2</sub>S] complex by N<sub>2</sub>O and CO<sub>2</sub>: insights into a role of tetranuclearity in the Cu<sub>Z</sub> site of nitrous oxide reductase.","Chemical communications (Cambridge, England)","2018","54","9","1097","1100","10.1039/c7cc09067f","","","0.71073","","","0.1925","0.1064","","","0.2545","0.2875","","","","","","1.137","","","","has coordinates","228401","2020-10-21","18:00:00",""
"7121120","22.1927","0.0019","22.3352","0.0019","26.585","0.002","103.713","0.002","107.062","0.0019","90.105","0.002","12202.4","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Cu2SO4","","","- C163 H164 Cu2 N4 O8 S -","- C138 H112 Cu2 N4 O4 S -","- C552 H448 Cu8 N16 O16 S4 -","4","2","","Bagherzadeh, Sharareh; Mankad, Neal P.","Oxidation of a [Cu<sub>2</sub>S] complex by N<sub>2</sub>O and CO<sub>2</sub>: insights into a role of tetranuclearity in the Cu<sub>Z</sub> site of nitrous oxide reductase.","Chemical communications (Cambridge, England)","2018","54","9","1097","1100","10.1039/c7cc09067f","","","0.71073","","","0.3072","0.1974","","","0.401","0.4568","","","","","","1.153","","","","has coordinates","228401","2020-10-21","18:00:00",""
"7121121","7.3596","0.0008","10.4885","0.0012","23.677","0.003","90","","96.831","0.004","90","","1814.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O2 S -","- C22 H17 N O2 S -","- C88 H68 N4 O8 S4 -","4","1","","Sun, Deli; Yin, Kun; Zhang, Ronghua","Visible-light-induced multicomponent cascade cycloaddition involving N-propargyl aromatic amines, diaryliodonium salts and sulfur dioxide: rapid access to 3-arylsulfonylquinolines.","Chemical communications (Cambridge, England)","2018","54","11","1335","1338","10.1039/c7cc09410h","","","0.71073","MoKα","","0.0709","0.0498","","","0.1055","0.117","","","","","","1.087","","","","has coordinates","228587","2020-10-21","18:00:00",""
"7121122","14.3468","0.0012","16.7636","0.0014","18.1282","0.0016","73.207","0.003","87.244","0.002","68.719","0.002","3881.5","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H81 As B F24 -","- C77 H81 As B F24 -","- C154 H162 As2 B2 F48 -","2","1","","Li, Tao; Tan, Gengwen; Cheng, Cheng; Zhao, Yue; Zhang, Li; Wang, Xinping","Syntheses, structures and theoretical calculations of stable triarylarsine radical cations.","Chemical communications (Cambridge, England)","2018","54","12","1493","1496","10.1039/c7cc09544a","","","0.71073","MoKα","","0.0633","0.0527","","","0.1368","0.1459","","","","","","1.012","","","","has coordinates,has disorder","228603","2020-10-21","18:00:00",""
"7121123","19.0845","0.0017","19.3689","0.0016","19.0896","0.0019","90","","105.786","0.003","90","","6790.3","1.1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H63 As B F24 -","- C68 H63 As B F24 -","- C272 H252 As4 B4 F96 -","4","0.5","","Li, Tao; Tan, Gengwen; Cheng, Cheng; Zhao, Yue; Zhang, Li; Wang, Xinping","Syntheses, structures and theoretical calculations of stable triarylarsine radical cations.","Chemical communications (Cambridge, England)","2018","54","12","1493","1496","10.1039/c7cc09544a","","","0.71073","MoKα","","0.058","0.0489","","","0.1299","0.1368","","","","","","1.054","","","","has coordinates,has disorder","228603","2020-10-21","18:00:00",""
"7121124","11.581","0.003","18.509","0.004","22.7","0.005","90","","100.345","0.011","90","","4786.7","1.9","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Br2 P2 Pd -","- C58 H44 Br2 P2 Pd -","- C232 H176 Br8 P8 Pd4 -","4","1","","Wang, Yanqing; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu","Lithiation of palladated dihydropentacene: a new route for the introduction of substituents from both of electrophiles and nucleophiles to pentacene.","Chemical communications (Cambridge, England)","2018","54","10","1265","1268","10.1039/c7cc09535j","","","0.71075","MoKα","","0.0687","0.0495","","","0.1218","0.1342","","","","","","1.02","","","","has coordinates","228000","2020-10-21","18:00:00",""
"7121125","9","2","9.297","","5.601","","90","","122.89","","90","","394","9","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C K3 O8 V -","- C K3 O8 V -","- C2 K6 O16 V2 -","2","0.5","","Song, Yunxia; Luo, Min; Liang, Fei; Ye, Ning; Lin, Zheshuai","The second-harmonic generation intensification derived from localization conjugated π-orbitals in O<sub>2</sub><sup>2</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1445","1448","10.1039/c7cc08863a","","","0.71073","MoKα","","0.0225","0.0223","","","0.0604","0.0605","","","","","","1.146","","","","has coordinates","228598","2020-10-21","18:00:00",""
"7121126","11.8483","0.0004","18.548","0.0007","12.1901","0.0004","90","","110.483","0.003","90","","2509.55","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 Fe8 Ge12 I4 O24 -","- C24 Fe8 Ge12 I4 O24 -","- C48 Fe16 Ge24 I8 O48 -","2","0.5","","Wolf, Silke; Klopper, Wim; Feldmann, Claus","Ge<sub>12</sub>{Fe(CO)<sub>3</sub>}<sub>8</sub>(μ-I)<sub>4</sub>: a germanium-iron cluster with Ge<sub>4</sub>, Ge<sub>2</sub> and Ge units.","Chemical communications (Cambridge, England)","2018","54","10","1217","1220","10.1039/c7cc08091c","","","0.71073","MoKα","","0.0943","0.0473","","","0.0791","0.0936","","","","","","1.058","","","","has coordinates","228001","2020-10-21","18:00:00",""
"7121127","21.1155","0.0009","4.9816","0.0002","21.6442","0.0008","90","","111.532","0.003","90","","2117.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,6,7-Trichloro-2-methoxy-8-hydroxyquinoline","","- C10 H6 Cl3 N O2 -","- C10 H6 Cl3 N O2 -","- C80 H48 Cl24 N8 O16 -","8","2","","Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.","Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.","Chemical communications (Cambridge, England)","2018","54","8","992","995","10.1039/c7cc09478g","","x-ray","0.71073","MoKα","","0.0724","0.0402","","","0.0944","0.1081","","","","","","1.022","","","","has coordinates","228107","2020-10-21","18:00:00",""
"7121128","10.3571","0.0006","21.0903","0.0012","10.705","0.0006","90","","108.136","0.003","90","","2222.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(7-chloro-8-hydroxyquinolinolato-5,6-dione-?N1,?O8)(?6-p-cymene)osmium(II)","","- C20 H18 Cl5 N O3 Os -","- C20 H18 Cl5 N O3 Os -","- C80 H72 Cl20 N4 O12 Os4 -","4","1","","Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.","Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.","Chemical communications (Cambridge, England)","2018","54","8","992","995","10.1039/c7cc09478g","","x-ray","0.71073","MoKα","","0.0329","0.0261","","","0.0571","0.0599","","","","","","1.111","","","","has coordinates","228107","2020-10-21","18:00:00",""
"7121129","14.4492","0.0008","7.3746","0.0004","17.1873","0.0009","90","","92.4","0.002","90","","1829.82","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(7-chloro-8-hydroxyquinolinolato-5,6-dione-?N1,?O8)(?5-pentamethylcyclopentadienyl)iridium(III)","","- C19 H18 Cl2 Ir N O3 -","- C19 H18 Cl2 Ir N O3 -","- C76 H72 Cl8 Ir4 N4 O12 -","4","1","","Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.","Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.","Chemical communications (Cambridge, England)","2018","54","8","992","995","10.1039/c7cc09478g","","x-ray","0.71073","MoKα","","0.0315","0.0287","","","0.073","0.0745","","","","","","1.089","","","","has coordinates","228107","2020-10-21","18:00:00",""
"7121130","14.473","0.0007","7.3041","0.0003","17.2691","0.0008","90","","92.709","0.003","90","","1823.52","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(7-chloro-8-hydroxyquinolinolato-5,6-dione-?N1,?O8)(?5-pentamethylcyclopentadienyl)rhodium(III),","","- C19 H18 Cl2 N O3 Rh -","- C19 H18 Cl2 N O3 Rh -","- C76 H72 Cl8 N4 O12 Rh4 -","4","1","","Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.","Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.","Chemical communications (Cambridge, England)","2018","54","8","992","995","10.1039/c7cc09478g","","x-ray","0.71073","MoKα","","0.0638","0.0492","","","0.1107","0.1178","","","","","","1.055","","","","has coordinates","228107","2020-10-21","18:00:00",""
"7121131","10.6343","0.0005","21.127","0.0009","19.5934","0.001","90","","100.782","0.003","90","","4324.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(7-chloro-8-hydroxyquinolinolato-5,6-dione-?N1,?O8)(?6-p-cymene)ruthenium(II)","","- C20 H19 Cl4 N O3 Ru -","- C20 H19 Cl4 N O3 Ru -","- C160 H152 Cl32 N8 O24 Ru8 -","8","2","","Kubanik, Mario; Lam, Nelson Y. S.; Holtkamp, Hannah U.; Söhnel, Tilo; Anderson, Robert F.; Jamieson, Stephen M. F.; Hartinger, Christian G.","Quinoline-para-quinones and metals: coordination-assisted formation of quinoline-ortho-quinones.","Chemical communications (Cambridge, England)","2018","54","8","992","995","10.1039/c7cc09478g","","x-ray","0.71073","MoKα","","0.0696","0.0547","","","0.1308","0.1387","","","","","","1.182","","","","has coordinates,has disorder","228107","2020-10-21","18:00:00",""
"7121132","10.834","0.004","10.782","0.004","11.696","0.005","90","","93.39","0.03","90","","1363.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N O S2 -","- C15 H11 N O S2 -","- C60 H44 N4 O4 S8 -","4","1","","Mahato, Karuna; Arora, Neha; Ray Bagdi, Prasanta; Gattu, Radhakrishna; Ghosh, Siddhartha Sankar; Khan, Abu T.","An oxidative cross-coupling reaction of 4-hydroxydithiocoumarin and amines/thiols using a combination of I<sub>2</sub> and TBHP: access to lead molecules for biomedical applications.","Chemical communications (Cambridge, England)","2018","54","12","1513","1516","10.1039/c7cc08502h","","","0.71073","MoKα","","0.1007","0.0651","","","0.1761","0.1987","","","","","","1.006","","","","has coordinates","228605","2020-10-21","18:00:00",""
"7121133","10.3912","0.0007","5.6999","0.0003","12.8081","0.0009","90","","102.459","0.007","90","","740.74","0.08","293","2","293","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","km-t-ba-so","","- C16 H13 N O3 S2 -","- C16 H13 N O3 S2 -","- C32 H26 N2 O6 S4 -","2","1","","Mahato, Karuna; Arora, Neha; Ray Bagdi, Prasanta; Gattu, Radhakrishna; Ghosh, Siddhartha Sankar; Khan, Abu T.","An oxidative cross-coupling reaction of 4-hydroxydithiocoumarin and amines/thiols using a combination of I<sub>2</sub> and TBHP: access to lead molecules for biomedical applications.","Chemical communications (Cambridge, England)","2018","54","12","1513","1516","10.1039/c7cc08502h","","x-ray","0.71073","MoKα","","0.0592","0.0464","","","0.0823","0.0948","","","","","","1.114","","","","has coordinates","228605","2020-10-21","18:00:00",""
"7121134","16.5683","0.0009","13.2261","0.0007","8.5713","0.0004","90","","95.047","0.003","90","","1870.98","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","km-t-ant","","- C23 H17 N O2 S2 -","- C23 H17 N O2 S2 -","- C92 H68 N4 O8 S8 -","4","1","","Mahato, Karuna; Arora, Neha; Ray Bagdi, Prasanta; Gattu, Radhakrishna; Ghosh, Siddhartha Sankar; Khan, Abu T.","An oxidative cross-coupling reaction of 4-hydroxydithiocoumarin and amines/thiols using a combination of I<sub>2</sub> and TBHP: access to lead molecules for biomedical applications.","Chemical communications (Cambridge, England)","2018","54","12","1513","1516","10.1039/c7cc08502h","","","0.71073","MoKα","","0.0598","0.0432","","","0.1305","0.1526","","","","","","1.07","","","","has coordinates","228605","2020-10-21","18:00:00",""
"7121135","24.187","0.003","24.1807","0.0013","24.292","0.002","59.829","0.005","89.966","0.007","60.346","0.004","10075","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","Zn4O(Azbpdc)3","","","- C48 H30 N18 O13 Zn4 -","- C48 H30 N8 O13 Zn4 -","- C192 H120 N32 O52 Zn16 -","4","2","","Ishiwata, Takumi; Michibata, Ayano; Kokado, Kenta; Ferlay, Sylvie; Hosseini, Mir Wais; Sada, Kazuki","Box-like gel capsules from heterostructures based on a core-shell MOF as a template of crystal crosslinking.","Chemical communications (Cambridge, England)","2018","54","12","1437","1440","10.1039/c7cc07158b","","","0.71075","MoKα","","0.1116","0.0791","","","0.2364","0.2686","","","","","","1.076","","","","has coordinates","228600","2020-10-21","18:00:00",""
"7121136","14.6456","0.0008","15.5637","0.0009","17.4714","0.001","67.92","0.003","78.389","0.003","73.028","0.003","3510.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","ABK-435","","- C63 H92 N8 O8 P4 S4 -","- C63 H92 N8 O8 P4 S4 -","- C126 H184 N16 O16 P8 S8 -","2","1","","Koner, Abhishek; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Streubel, Rainer","1,4-Additions of tricyclic 1,4-diphosphinines - a novel system to study σ-bond activation and π-π dispersion interactions.","Chemical communications (Cambridge, England)","2018","54","10","1182","1184","10.1039/c7cc09349g","","x-ray","0.71073","MoKα","","0.1155","0.097","","","0.2324","0.2482","","","","","","1.067","","","","has coordinates,has disorder","227998","2020-10-21","18:00:00",""
"7121137","18.465","0.003","13.1095","0.0018","15.633","0.002","90","","103.23","0.005","90","","3683.8","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ABK-465","","- C34 H46 N4 P2 S4 -","- C34 H46 N4 P2 S4 -","- C136 H184 N16 P8 S16 -","4","1","","Koner, Abhishek; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Streubel, Rainer","1,4-Additions of tricyclic 1,4-diphosphinines - a novel system to study σ-bond activation and π-π dispersion interactions.","Chemical communications (Cambridge, England)","2018","54","10","1182","1184","10.1039/c7cc09349g","","","0.71073","MoKα","","0.063","0.0466","","","0.0901","0.0975","","","","","","1.078","","","","has coordinates","227998","2020-10-21","18:00:00",""
"7121138","27.7111","0.0012","14.5378","0.0007","21.9682","0.0016","90","","126.366","0.0011","90","","7126.5","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","ABK-445","","- C129 H174 Cl2 N20 O8 P8 S8 -","- C129 H174 Cl2 N20 O8 P8 S8 -","- C258 H348 Cl4 N40 O16 P16 S16 -","2","0.25","","Koner, Abhishek; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Streubel, Rainer","1,4-Additions of tricyclic 1,4-diphosphinines - a novel system to study σ-bond activation and π-π dispersion interactions.","Chemical communications (Cambridge, England)","2018","54","10","1182","1184","10.1039/c7cc09349g","","","0.71073","MoKα","","0.0981","0.0729","","","0.2022","0.2277","","","","","","1.062","","","","has coordinates,has disorder","227998","2020-10-21","18:00:00",""
"7121139","18.5972","0.0007","13.2665","0.0005","15.6185","0.0006","90","","103.28","0.0013","90","","3750.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ABK-466","","- C34 H46 N4 P2 S2 Se2 -","- C34 H46 N4 P2 S2 Se2 -","- C136 H184 N16 P8 S8 Se8 -","4","1","","Koner, Abhishek; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Streubel, Rainer","1,4-Additions of tricyclic 1,4-diphosphinines - a novel system to study σ-bond activation and π-π dispersion interactions.","Chemical communications (Cambridge, England)","2018","54","10","1182","1184","10.1039/c7cc09349g","","","0.71073","MoKα","","0.0725","0.0353","","","0.0629","0.0754","","","","","","1.007","","","","has coordinates","227998","2020-10-21","18:00:00",""
"7121140","6.3039","0.0006","14.2946","0.0013","6.564","0.0006","90","","110.207","0.002","90","","555.09","0.09","135","2","135","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","bis(aqua)tetrakis(μ-2cyano)copper(II) dibromoplatinate(IV)","","- C4 H4 Br2 Cu N4 O2 Pt -","- C4 H3 Br2 Cu N4 O2 Pt -","- C8 H6 Br4 Cu2 N8 O4 Pt2 -","2","0.5","","Sergeenko, Ania S.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Designing anisotropic cyanometallate coordination polymers with unidirectional thermal expansion (TE): 2D zero and 1D colossal positive TE.","Chemical communications (Cambridge, England)","2018","54","13","1599","1602","10.1039/c7cc09033a","","","0.71073","MoKα","","0.0265","0.0141","","","0.0309","0.0338","","","","","","1.074","","","","has coordinates","228383","2020-10-21","18:00:00",""
"7121141","28.9848","0.0019","28.9848","0.0019","5.5266","0.0007","90","","90","","120","","4021","0.6","273","2","273.15","","","","","","","","","6","R -3","-R 3","148","","","","- C2.5 H4.25 Mn0.5 N0.5 O2.75 P0.5 -","- C2.5 H3.248 Mn0.5 N0.5 O2.5 P0.5 -","- C90 H116.928 Mn18 N18 O90 P18 -","36","","","Yang, Yang; Gao, Chaoying; Tian, Hong-Rui; Ai, Jing; Min, Xue; Sun, Zhong-Ming","A highly stable MnII phosphonate as highly efficient catalyst for CO2 fixation under ambient conditions","Chemical Communications","2018","","","","","10.1039/C7CC09867G","","","0.71073","MoKα","","0.0668","0.0574","","","0.1628","0.1686","","","","","","1.088","","","","has coordinates,has disorder","205233","2020-10-21","18:00:00",""
"7121142","10.3376","0.0001","17.8421","0.0002","25.5819","0.0003","84.4742","0.0005","83.1749","0.0006","87.3583","0.0008","4660.37","0.09","90","","90","","","","","","","","","3","P -1","-P 1","2","Ge CBD","tetragermacyclobutadiene","","- C99 H155 Ge4 -","- C99 H155 Ge4 -","- C198 H310 Ge8 -","2","1","","Suzuki, Katsunori; Numata, Yasuyuki; Fujita, Naoko; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Tamao, Kohei; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Matsuo, Tsukasa","A stable free tetragermacyclobutadiene incorporating fused-ring bulky EMind groups.","Chemical communications (Cambridge, England)","2018","54","18","2200","2203","10.1039/c7cc09443d","","","0.71073","MoKα","","0.0699","0.0377","","","0.0925","0.1037","","","","","","1.029","","","","has coordinates,has disorder","228438","2020-10-21","18:00:00",""
"7121143","10.9924","0.0004","11.3428","0.0004","11.8084","0.0005","118.544","0.004","92.15","0.003","113.282","0.003","1140.33","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(EMind)ClGe=GeCl(EMind)","dichlorodigermene","","- C48 H74 Cl2 Ge2 -","- C48 H74 Cl2 Ge2 -","- C48 H74 Cl2 Ge2 -","1","0.5","","Suzuki, Katsunori; Numata, Yasuyuki; Fujita, Naoko; Hayakawa, Naoki; Tanikawa, Tomoharu; Hashizume, Daisuke; Tamao, Kohei; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Matsuo, Tsukasa","A stable free tetragermacyclobutadiene incorporating fused-ring bulky EMind groups.","Chemical communications (Cambridge, England)","2018","54","18","2200","2203","10.1039/c7cc09443d","","","0.71073","MoKα","","0.0552","0.0438","","","0.1116","0.115","","","","","","1.133","","","","has coordinates,has disorder","228438","2020-10-21","18:00:00",""
"7121144","24.0426","0.0019","14.5938","0.0012","20.3274","0.0016","90","","112.283","0.002","90","","6599.7","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H27 F N4 O2 -","- C44 H27 F N4 O2 -","- C352 H216 F8 N32 O16 -","8","2","","Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Ma, Dongge; Yang, Chuluo","An efficient exciton harvest route for high-performance OLEDs based on aggregation-induced delayed fluorescence.","Chemical communications (Cambridge, England)","2018","54","11","1379","1382","10.1039/c7cc09925h","","","0.71073","MoKα","","0.1197","0.0796","","","0.226","0.2716","","","","","","1.059","","","","has coordinates,has disorder","228589","2020-10-21","18:00:00",""
"7121145","11.2482","0.0006","11.3076","0.0006","13.5181","0.0007","91.797","0.001","102.745","0.001","101.04","0.001","1641.1","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H26 F2 N4 O2 -","- C44 H26 F2 N4 O2 -","- C88 H52 F4 N8 O4 -","2","1","","Yu, Ling; Wu, Zhongbin; Xie, Guohua; Zhong, Cheng; Zhu, Zece; Ma, Dongge; Yang, Chuluo","An efficient exciton harvest route for high-performance OLEDs based on aggregation-induced delayed fluorescence.","Chemical communications (Cambridge, England)","2018","54","11","1379","1382","10.1039/c7cc09925h","","","0.71073","MoKα","","0.0776","0.0481","","","0.1207","0.1423","","","","","","1.021","","","","has coordinates","228589","2020-10-21","18:00:00",""
"7121146","19.1211","0.0007","11.6571","0.0005","16.3906","0.0006","90","","90.154","0.003","90","","3653.4","0.2","151.4","","151.4","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H62 Al Li N2 O3 Si4 -","- C24 H62 Al Li N2 O3 Si4 -","- C96 H248 Al4 Li4 N8 O12 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","","0.7107","MoKα","","0.0801","0.0527","","","0.1181","0.1345","","","","","","1.014","","","","has coordinates,has disorder","205286","2020-10-21","18:00:00",""
"7121147","11.2443","0.0006","13.0965","0.0008","16.3279","0.001","77.34","0.005","72.377","0.005","67.344","0.006","2100.4","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H66 Al Li N2 O4 Si4 -","- C34 H66 Al Li N2 O4 Si4 -","- C68 H132 Al2 Li2 N4 O8 Si8 -","2","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","","1.54184","CuKα","","0.0588","0.05","","","0.1382","0.1539","","","","","","1.073","","","","has coordinates,has disorder","205286","2020-10-21","18:00:00",""
"7121148","14.9972","0.0004","12.4262","0.0003","20.9919","0.0006","90","","105.804","0.003","90","","3764.13","0.18","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H68 Al Li N6 Si4 -","- C24 H68 Al Li N6 Si4 -","- C96 H272 Al4 Li4 N24 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","","1.54184","CuKα","","0.0782","0.0551","","","0.1433","0.1649","","","","","","1.044","","","","has coordinates","205286","2020-10-21","18:00:00",""
"7121149","13.3714","0.0007","14.1997","0.0007","11.4816","0.0007","90","","96.332","0.005","90","","2166.7","0.2","160.3","","160.3","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H32 Al Li N4 O Si2 -","- C13 H32 Al Li N4 O Si2 -","- C52 H128 Al4 Li4 N16 O4 Si8 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","","0.7107","MoKα","","0.1322","0.0767","","","0.1915","0.231","","","","","","1.038","","","","has coordinates,has disorder","205286","2020-10-21","18:00:00",""
"7121150","12.8589","0.0002","16.0231","0.0002","19.8745","0.0004","90","","90","","90","","4094.93","0.12","123.15","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H70 Al N2 Na O4 Si4 -","- C28 H70 Al N2 Na O4 Si4 -","- C112 H280 Al4 N8 Na4 O16 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.0351","0.0344","","","0.0925","0.0932","","","","","","1.0812","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7121151","12.3904","0.0003","14.4124","0.0003","21.285","0.0005","90","","90","","90","","3800.98","0.15","123.15","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H62 Al Li N2 O4 Si4 -","- C27 H62 Al Li N2 O4 Si4 -","- C108 H248 Al4 Li4 N8 O16 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0822","0.0837","","","","","","1.0222","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7121152","17.8785","0.0003","12.5619","0.0002","17.5361","0.0003","90","","90.296","0.002","90","","3938.34","0.11","123.15","","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H70 Al Li N6 Si4 -","- C24 H70 Al Li N6 Si4 -","- C96 H280 Al4 Li4 N24 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.0633","0.0522","","","0.1356","0.1458","","","","","","1.0173","","","","has coordinates,has disorder","205286","2020-10-21","18:00:00",""
"7121153","18.2497","0.0003","11.7867","0.0002","16.1366","0.0003","90","","93.426","0.002","90","","3464.84","0.1","123.15","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H61 Al Li N5 Si4 -","- C21 H61 Al Li N5 Si4 -","- C84 H244 Al4 Li4 N20 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.0409","0.0365","","","0.1002","0.104","","","","","","1.0459","","","","has coordinates","205286","2020-10-21","18:00:00",""
"7121154","7.3234","0.0002","33.2434","0.0009","10.4467","0.0003","90","","104.815","0.001","90","","2458.75","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2F-baTren","N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(2-fluorobenzamide)","","- C27 H27 F3 N4 O3 -","- C27 H27 F3 N4 O3 -","- C108 H108 F12 N16 O12 -","4","1","","Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.","Modular tripodal receptors for the hydrosulfide (HS<sup>-</sup>) anion.","Chemical communications (Cambridge, England)","2018","54","19","2337","2340","10.1039/c7cc09405a","","","1.54178","CuKα","","0.0445","0.0371","","","0.0936","0.0986","","","","","","1.019","","","","has coordinates,has disorder","228261","2020-10-21","18:00:00",""
"7121155","8.6772","0.0002","12.4885","0.0003","14.3777","0.0003","88.841","0.001","85.99","0.001","69.956","0.001","1460.08","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(4-(trifluoromethyl)benzamide)","","- C30 H27 F9 N4 O3 -","- C30 H27 F9 N4 O3 -","- C60 H54 F18 N8 O6 -","2","1","","Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.","Modular tripodal receptors for the hydrosulfide (HS<sup>-</sup>) anion.","Chemical communications (Cambridge, England)","2018","54","19","2337","2340","10.1039/c7cc09405a","","","1.54178","CuKα","","0.0563","0.049","","","0.1203","0.1267","","","","","","1.038","","","","has coordinates","228261","2020-10-21","18:00:00",""
"7121156","15.8131","0.0005","8.3293","0.0003","24.4837","0.0007","90","","99.684","0.002","90","","3178.85","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N',N''-(nitrilotris(ethane-2,1-diyl))tris(3-(trifluoromethyl)benzamide)","","- C30 H27 F9 N4 O3 -","- C30 H27 F9 N4 O3 -","- C120 H108 F36 N16 O12 -","4","1","","Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.","Modular tripodal receptors for the hydrosulfide (HS<sup>-</sup>) anion.","Chemical communications (Cambridge, England)","2018","54","19","2337","2340","10.1039/c7cc09405a","","","1.54178","CuKα","","0.0958","0.0646","","","0.1626","0.185","","","","","","1.016","","","","has coordinates,has disorder","228261","2020-10-21","18:00:00",""
"7121157","12.0967","0.0008","12.0967","0.0008","34.713","0.003","90","","90","","120","","4399","0.6","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H21 N S -","- C8 H20 N S -","- C144 H360 N18 S18 -","18","0.5","","Lau, Nathanael; Zakharov, Lev N.; Pluth, Michael D.","Modular tripodal receptors for the hydrosulfide (HS<sup>-</sup>) anion.","Chemical communications (Cambridge, England)","2018","54","19","2337","2340","10.1039/c7cc09405a","","","1.54178","CuKα","","0.0589","0.0538","","","0.1577","0.1616","","","","","","1.066","","","","has coordinates","228261","2020-10-21","18:00:00",""
"7121158","8.6582","0.0004","10.5543","0.0006","25.8744","0.0016","90","","90","","90","","2364.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C104 H108 N12 O16 S4 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0615","0.0442","","","0.0965","0.1056","","","","","","1.023","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121159","8.6243","0.0006","10.5297","0.0007","25.811","0.002","90","","90","","90","","2343.9","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C104 H108 N12 O16 S4 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0504","0.0399","","","0.0914","0.0982","","","","","","1.031","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121160","11.0863","0.001","11.6603","0.001","11.8746","0.001","109.645","0.008","100.679","0.007","113.71","0.008","1228.8","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O3 S -","- C27 H29 N3 O3 S -","- C54 H58 N6 O6 S2 -","2","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0685","0.0496","","","0.1139","0.1316","","","","","","1.034","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121161","12.1615","0.0007","11.8908","0.0007","16.8761","0.0014","90","","98.719","0.007","90","","2412.2","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N3 O3 S -","- C26 H29 N3 O3 S -","- C104 H116 N12 O12 S4 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0755","0.0507","","","0.1245","0.1422","","","","","","1.039","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121162","9.5082","0.0014","9.5276","0.0015","18.393","0.003","90","","90","","90","","1666.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0825","0.0571","","","0.1166","0.1409","","","","","","1.097","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121163","8.2736","0.0004","10.7007","0.0005","11.1674","0.0004","85.313","0.004","71.078","0.004","86.856","0.004","931.71","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Br3 Co N4 -","- C16 H18 Br3 Co N4 -","- C32 H36 Br6 Co2 N8 -","2","1","","Nie, Weixuan; McCrory, Charles C. L.","Electrocatalytic CO<sub>2</sub> reduction by a cobalt bis(pyridylmonoimine) complex: effect of acid concentration on catalyst activity and stability.","Chemical communications (Cambridge, England)","2018","54","13","1579","1582","10.1039/c7cc08546j","","","1.54178","CuKα","","0.0254","0.0252","","","0.0637","0.0638","","","","","","1.005","","","","has coordinates","228384","2020-10-21","18:00:00",""
"7121164","9.9177","0.0004","11.565","0.0005","22.0296","0.0009","90","","93.929","0.001","90","","2520.82","0.18","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 B Fe P2 -","- C27 H37 B Fe P2 -","- C108 H148 B4 Fe4 P8 -","4","1","","Lik, Artur; Kargin, Denis; Isenberg, Stefan; Kelemen, Zsolt; Pietschnig, Rudolf; Helten, Holger","PBP bridged [3]ferrocenophane: a bisphosphanylborane with a redox trigger.","Chemical communications (Cambridge, England)","2018","54","20","2471","2474","10.1039/c7cc09759j","","x-ray","0.71073","MoKα","","0.0426","0.0349","","","0.1106","0.1217","","","","","","0.925","","","","has coordinates","228348","2020-10-21","18:00:00",""
"7121165","14.198","0.005","14.198","0.005","12.297","0.005","90","0.005","90","0.005","90","0.005","2478.9","1.6","293","2","293","2","","","","","","","","7","I -4 m 2","I -4 -2","119","","","","- C4 H12 Ag10 N16 O44 Si W12 -","- C4 H4 Ag10 N16 O44 Si W12 -","- C8 H8 Ag20 N32 O88 Si2 W24 -","2","0.125","","Li, Shaobin; Zhang, Li; Lan, Yaqian; O'Halloran, Kevin P; Ma, Huiyuan; Pang, Haijun","Polyoxometalate-encapsulated twenty-nuclear silver-tetrazole nanocage frameworks as highly active electrocatalysts for the hydrogen evolution reaction.","Chemical communications (Cambridge, England)","2018","54","16","1964","1967","10.1039/c7cc09223g","","","0.71069","MoKα","","0.0385","0.0367","","","0.0961","0.0971","","","","","","1.098","","","","has coordinates","228287","2020-10-21","18:00:00",""
"7121166","14.182","0.005","14.182","0.005","12.331","0.005","90","0.005","90","0.005","90","0.005","2480.1","1.6","293","2","293","2","","","","","","","","7","I -4 m 2","I -4 -2","119","","","","- C4 H12 Ag10 N16 O44 P W12 -","- C4 H4 Ag10 N16 O44 P W12 -","- C8 H8 Ag20 N32 O88 P2 W24 -","2","0.125","","Li, Shaobin; Zhang, Li; Lan, Yaqian; O'Halloran, Kevin P; Ma, Huiyuan; Pang, Haijun","Polyoxometalate-encapsulated twenty-nuclear silver-tetrazole nanocage frameworks as highly active electrocatalysts for the hydrogen evolution reaction.","Chemical communications (Cambridge, England)","2018","54","16","1964","1967","10.1039/c7cc09223g","","","0.71069","MoKα","","0.0451","0.0441","","","0.1219","0.1228","","","","","","0.819","","","","has coordinates","228287","2020-10-21","18:00:00",""
"7121167","6.0637","0.0007","6.3295","0.0008","17.0569","0.0017","82.559","0.009","81.097","0.009","72.642","0.01","614.89","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N6 O2 Si -","- C9 H14 N6 O2 Si -","- C18 H28 N12 O4 Si2 -","2","1","","Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G.","Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position.","MedChemComm","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0905","0.0825","","","0.2166","0.2225","","","","","","1.074","","","","has coordinates","230147","2020-10-21","18:00:00",""
"7121168","7.5168","0.001","9.0109","0.0015","11.412","0.0015","88.485","0.012","78.814","0.011","86.275","0.012","756.61","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 N6 O3 Si -","- C11 H18 N6 O3 Si -","- C22 H36 N12 O6 Si2 -","2","1","","Cousin, David; Hummersone, Marc G.; Bradshaw, Tracey D.; Zhang, Jihong; Moody, Christopher J.; Foreiter, Magdalena B.; Summers, Helen S.; Lewis, William; Wheelhouse, Richard T.; Stevens, Malcolm F. G.","Synthesis and growth-inhibitory activities of imidazo[5,1-<i>d</i>]-1,2,3,5-tetrazine-8-carboxamides related to the anti-tumour drug temozolomide, with appended silicon, benzyl and heteromethyl groups at the 3-position.","MedChemComm","2018","9","3","545","553","10.1039/c7md00554g","","x-ray","1.54184","CuKα","","0.0452","0.041","","","0.1096","0.1139","","","","","","1.041","","","","has coordinates","230147","2020-10-21","18:00:00",""
"7121169","19.7577","0.0008","9.1446","0.0003","16.6909","0.0004","90","","103.132","0.004","90","","2936.79","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O5 S -","- C32 H36 N4 O5 S -","- C128 H144 N16 O20 S4 -","4","1","","Bao, Xiaoping; Wu, Xin; Berry, Stuart N.; Howe, Ethan N. W.; Chang, Young-Tae; Gale, Philip A.","Fluorescent squaramides as anion receptors and transmembrane anion transporters.","Chemical communications (Cambridge, England)","2018","54","11","1363","1366","10.1039/c7cc08706c","","x-ray","0.71073","MoKα","","0.125","0.0796","","","0.1783","0.2038","","","","","","1.027","","","","has coordinates,has disorder","228590","2020-10-21","18:00:00",""
"7121170","9.0089","0.0006","13.9567","0.0006","22.3783","0.001","98.702","0.004","99.193","0.004","99.7","0.004","2691.6","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N Si -","- C33 H35 N Si -","- C132 H140 N4 Si4 -","4","2","","Jiang, Guangbin; Hu, Weigao; Li, Jianxiao; Zhu, Chuanle; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed primary amine-directed regioselective mono- and di-alkynylation of biaryl-2-amines.","Chemical communications (Cambridge, England)","2018","54","14","1746","1749","10.1039/c7cc09308j","","x-ray","0.71073","MoKα","","0.1029","0.0728","","","0.1708","0.1909","","","","","","1.033","","","","has coordinates","228393","2020-10-21","18:00:00",""
"7121171","15.373","0.0008","7.7388","0.0004","32.2857","0.0016","90","","101.174","0.005","90","","3768.2","0.3","105","8","105","8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H55 N Si2 -","- C40 H55 N Si2 -","- C160 H220 N4 Si8 -","4","1","","Jiang, Guangbin; Hu, Weigao; Li, Jianxiao; Zhu, Chuanle; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed primary amine-directed regioselective mono- and di-alkynylation of biaryl-2-amines.","Chemical communications (Cambridge, England)","2018","54","14","1746","1749","10.1039/c7cc09308j","","x-ray","0.71073","MoKα","","0.12","0.0955","","","0.2496","0.273","","","","","","1.014","","","","has coordinates","228393","2020-10-21","18:00:00",""
"7121172","8.0189","0.0001","10.2181","0.0002","18.5046","0.0004","77.57","0.002","87.661","0.002","80.033","0.002","1458.33","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B Mo N7 O2 -","- C30 H32 B Mo N7 O2 -","- C60 H64 B2 Mo2 N14 O4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","1.54184","CuKα","","0.0259","0.0246","","","0.0626","0.0634","","","","","","1.065","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121173","10.216","0.0001","14.1835","0.0002","10.6359","0.0001","90","","90.067","0.001","90","","1541.13","0.03","150","0.1","150","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H32 B Bi N6 O2 W -","- C30 H32 B Bi N6 O2 W -","- C60 H64 B2 Bi2 N12 O4 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","1.54184","CuKα","","0.0233","0.0221","","","0.0525","0.0532","","","","","","1.045","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121174","7.9985","0.0003","10.1857","0.0003","18.51","0.0006","77.58","0.003","87.554","0.003","79.822","0.003","1449.53","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 B N7 O2 W -","- C30 H32 B N7 O2 W -","- C60 H64 B2 N14 O4 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","0.71073","MoKα","","0.0378","0.031","","","0.0557","0.0594","","","","","","1.041","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121175","10.231","0.0003","14.2033","0.0004","10.5668","0.0004","90","","90.271","0.003","90","","1535.49","0.09","150","0.2","150","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H32 B Bi Mo N6 O2 -","- C30 H32 B Bi Mo N6 O2 -","- C60 H64 B2 Bi2 Mo2 N12 O4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","0.71073","MoKα","","0.0376","0.0322","","","0.0609","0.0637","","","","","","1.018","","","","has coordinates","228217","2020-10-21","18:00:00",""
"7121176","10.1096","0.0002","31.7822","0.0005","19.6195","0.0003","90","","98.64","0.002","90","","6232.31","0.19","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 As B Mo N6 O2 -","- C30 H32 As B Mo N6 O2 -","- C240 H256 As8 B8 Mo8 N48 O16 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","0.71073","MoKα","","0.0688","0.0447","","","0.0853","0.0937","","","","","","1.079","","","","has coordinates,has disorder","228217","2020-10-21","18:00:00",""
"7121177","10.0885","0.0002","31.7494","0.0005","19.6156","0.0003","90","","99.29","0.002","90","","6200.54","0.19","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 As B N6 O2 W -","- C30 H32 As B N6 O2 W -","- C240 H256 As8 B8 N48 O16 W8 -","8","2","","Frogley, Benjamin J.; Hill, Anthony F.","A complete set of pnictocarbynes: [M([triple bond, length as m-dash]CAPh<sub>2</sub>)(CO)<sub>2</sub>(Tp*)] (M = Mo, W; A = N, P, As, Sb, Bi; Tp* = hydrotris(dimethylpyrazolyl)-borate).","Chemical communications (Cambridge, England)","2018","54","17","2126","2129","10.1039/c8cc00143j","","","0.71073","MoKα","","0.062","0.0479","","","0.0866","0.0909","","","","","","1.213","","","","has coordinates,has disorder","228217","2020-10-21","18:00:00",""
"7121178","12.3494","0.0007","12.6121","0.0007","13.8333","0.0008","90","","98.628","0.003","90","","2130.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","JMG274V3","","- C25 H25 In N2 -","- C25 H25 In N2 -","- C100 H100 In4 N8 -","4","1","","Gil-Negrete, José M; Pérez Sestelo, José; Sarandeses, Luis A.","Synthesis of bench-stable solid triorganoindium reagents and reactivity in palladium-catalyzed cross-coupling reactions.","Chemical communications (Cambridge, England)","2018","54","12","1453","1456","10.1039/c7cc09344f","","x-ray","0.71073","MoKα","","0.043","0.0294","","","0.0552","0.059","","","","","","1.052","","","","has coordinates","228604","2020-10-21","18:00:00",""
"7121179","9.593","0.01","8","0.008","13.517","0.014","90","","103.143","0.019","90","","1010.2","1.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C48 H46 N2 O8 -","2","1","","Cheng, Jian; Xie, Jin; Zhu, Chengjian","Relay photocatalytic cascade reactions: synthesis of indolo[2,1-a]isoquinoline derivatives via double C(sp<sup>3</sup>)-H bond functionalization.","Chemical communications (Cambridge, England)","2018","54","13","1655","1658","10.1039/c7cc09820k","","","0.71073","MoKα","","0.0476","0.0393","","","0.1159","0.1323","","","","","","1.093","","","","has coordinates","228385","2020-10-21","18:00:00",""
"7121180","11.1425","0.0003","11.9013","0.0004","13.4239","0.0004","100.486","0.001","92.781","0.001","103.209","0.001","1696.54","0.09","302","2","301.83","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 Cl2 N6 O7 -","- C33 H34 Cl2 N6 O7 -","- C66 H68 Cl4 N12 O14 -","2","1","","He, Haihong; Ye, Zhiwei; Zheng, Ying; Xu, Xiu; Guo, Chunlei; Xiao, Yi; Yang, Wei; Qian, Xuhong; Yang, Youjun","Super-resolution imaging of lysosomes with a nitroso-caged rhodamine.","Chemical communications (Cambridge, England)","2018","54","23","2842","2845","10.1039/c7cc08886h","","","0.71073","MoKα","","0.1101","0.0876","","","0.2241","0.2455","","","","","","1.055","","","","has coordinates","228456","2020-10-21","18:00:00",""
"7121181","6.634","0.0003","9.3287","0.0003","9.7895","0.0002","82.039","0.002","85.191","0.003","89.175","0.003","597.89","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N S -","- C14 H10 Br N S -","- C28 H20 Br2 N2 S2 -","2","1","","Huang, Yubing; Yan, Donghao; Wang, Xu; Zhou, Peiqi; Wu, Wanqing; Jiang, Huanfeng","Controllable assembly of the benzothiazole framework using a C[triple bond, length as m-dash]C triple bond as a one-carbon synthon.","Chemical communications (Cambridge, England)","2018","54","14","1742","1745","10.1039/c7cc09855c","","x-ray","1.54184","CuKα","","0.0274","0.0271","","","0.0778","0.078","","","","","","1.053","","","","has coordinates","228390","2020-10-21","18:00:00",""
"7121182","12.209","0.003","12.209","0.003","12.997","0.003","90","","90","","120","","1677.8","0.7","296","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C24 H30 N3 O P -","- C24 H30 N3 O P -","- C72 H90 N9 O3 P3 -","3","1","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.1376","0.0655","","","0.1494","0.1966","","","","","","0.826","","","","has coordinates","228431","2020-10-21","18:00:00",""
"7121183","28.288","","28.288","","28.288","","90","","90","","90","","22636.4","","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C108 H108 N12 O28 P4 Pd12 -","- C108 H108 N12 O28 P4 Pd12 -","- C432 H432 N48 O112 P16 Pd48 -","4","0.0833333","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.0609","0.0361","","","0.0802","0.0917","","","","","","1.015","","","","has coordinates","228431","2020-10-21","18:00:00",""
"7121184","28.046","","28.046","","28.046","","90","","90","","90","","22060.4","","100","2","100","2","","","","","","","","6","F 2 3","F 2 2 3","196","","CHIRAL CAGE","","- C108 H108 N12 O28 P4 Pd12 -","- C108 H108 N12 O28 P4 Pd12 -","- C432 H432 N48 O112 P16 Pd48 -","4","0.0833333","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.0847","0.0416","","","0.1053","0.1316","","","","","","1.046","","","","has coordinates","228431","2020-10-21","18:00:00",""
"7121185","20.679","0.002","25.531","0.002","31.458","0.003","90","","94.48","0.002","90","","16558","3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C292 H330 N24 O95 P8 Pd24 -","- C292 H330 N24 O95 P8 Pd24 -","- C584 H660 N48 O190 P16 Pd48 -","2","0.5","","Rajasekar, Prabhakaran; Pandey, Swechchha; Paithankar, Harshad; Chugh, Jeetender; Steiner, Alexander; Boomishankar, Ramamoorthy","Imido-P(v) trianion supported enantiopure neutral tetrahedral Pd(ii) cages.","Chemical communications (Cambridge, England)","2018","54","15","1873","1876","10.1039/c8cc00207j","","","0.71073","MoKα","","0.0755","0.0689","","","0.1781","0.1837","","","","","","1.133","","","","has coordinates,has disorder","228431","2020-10-21","18:00:00",""
"7121186","8.9125","0.0014","11.3351","0.0018","13.323","0.002","69.182","0.002","74.864","0.002","87.348","0.002","1212.8","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 N2 -","- C10 H10 N2 -","- C60 H60 N12 -","6","3","","Ning, Yingtang; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate.","Chemical communications (Cambridge, England)","2018","54","15","1881","1884","10.1039/c8cc00183a","","","0.71073","MoKα","","0.0391","0.0359","","","0.095","0.0978","","","","","","1.049","","","","has coordinates,has disorder","228432","2020-10-21","18:00:00",""
"7121187","9.3512","0.0009","14.2117","0.0014","12.5086","0.0012","90","","110.717","0.002","90","","1554.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F6 N2 O P -","- C14 H17 F6 N2 O P -","- C56 H68 F24 N8 O4 P4 -","4","1","","Ning, Yingtang; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate.","Chemical communications (Cambridge, England)","2018","54","15","1881","1884","10.1039/c8cc00183a","","","1.54178","CuKα","","0.0529","0.0516","","","0.1277","0.1287","","","","","","1.048","","","","has coordinates,has disorder","228432","2020-10-21","18:00:00",""
"7121188","8.431","0.0007","10.6455","0.0009","17.7568","0.0014","90","","91.537","0.002","90","","1593.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Br F6 N2 P -","- C12 H16 Br F6 N2 P -","- C48 H64 Br4 F24 N8 P4 -","4","1","","Ning, Yingtang; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate.","Chemical communications (Cambridge, England)","2018","54","15","1881","1884","10.1039/c8cc00183a","","","1.54178","CuKα","","0.0342","0.0309","","","0.0766","0.0787","","","","","","1.044","","","","has coordinates","228432","2020-10-21","18:00:00",""
"7121189","8.8739","0.0005","12.9265","0.0007","13.4682","0.0007","90","","99.885","0.002","90","","1521.98","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 F6 N2 P -","- C13 H17 F6 N2 P -","- C52 H68 F24 N8 P4 -","4","1","","Ning, Yingtang; Kawahata, Masatoshi; Yamaguchi, Kentaro; Otani, Yuko; Ohwada, Tomohiko","Synthesis, structure and N-N bonding character of 1,1-disubstituted indazolium hexafluorophosphate.","Chemical communications (Cambridge, England)","2018","54","15","1881","1884","10.1039/c8cc00183a","","","1.54178","CuKα","","0.0382","0.0333","","","0.0809","0.087","","","","","","1.065","","","","has coordinates","228432","2020-10-21","18:00:00",""
"7121190","9.52631","0.00013","14.5795","0.0003","26.9344","0.0004","90","","90","","90","","3740.89","0.11","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H20 O5 -","- C24 H20 O5 -","- C192 H160 O40 -","8","1","","Luo, Kui; Zhang, Ling; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Selectivity-switchable construction of benzo-fused polycyclic compounds through a gold-catalyzed reaction of enyne-lactone.","Chemical communications (Cambridge, England)","2018","54","15","1893","1896","10.1039/c7cc09786g","","x-ray","1.54184","CuKα","","0.0437","0.0424","","","0.1071","0.1081","","","","","","1.071","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7121191","8.0941","0.0002","9.6765","0.0002","11.9451","0.0003","70.653","0.002","81.146","0.002","88.316","0.002","871.99","0.04","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 Br O5 -","- C21 H15 Br O5 -","- C42 H30 Br2 O10 -","2","1","","Luo, Kui; Zhang, Ling; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Selectivity-switchable construction of benzo-fused polycyclic compounds through a gold-catalyzed reaction of enyne-lactone.","Chemical communications (Cambridge, England)","2018","54","15","1893","1896","10.1039/c7cc09786g","","x-ray","1.54184","CuKα","","0.0331","0.0319","","","0.0867","0.0874","","","","","","1.078","","","","has coordinates","228434","2020-10-21","18:00:00",""
"7121192","12.2774","0.0007","10.4052","0.0007","13.0395","0.0007","90","","101.928","0.005","90","","1629.81","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O5 -","- C21 H16 O5 -","- C84 H64 O20 -","4","1","","Luo, Kui; Zhang, Ling; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Selectivity-switchable construction of benzo-fused polycyclic compounds through a gold-catalyzed reaction of enyne-lactone.","Chemical communications (Cambridge, England)","2018","54","15","1893","1896","10.1039/c7cc09786g","","x-ray","0.71073","MoKα","","0.0685","0.051","","","0.1123","0.1237","","","","","","1.043","","","","has coordinates","228434","2020-10-21","18:00:00",""
"7121193","13.3448","0.0006","25.7942","0.0013","31.7835","0.0015","90","","90","","90","","10940.5","0.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H90 Cl2 N2 P2 Zr -","- C44 H62 Cl2 N2 P2 Zr -","- C352 H496 Cl16 N16 P16 Zr8 -","8","2","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0516","0.0393","","","0.0844","0.0893","","","","","","1.025","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121194","17.7014","0.0006","13.7831","0.0005","17.8222","0.0007","90","","99.961","0.001","90","","4282.7","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Cl N2 P2 Zr -","- C44 H62 Cl N2 P2 Zr -","- C176 H248 Cl4 N8 P8 Zr4 -","4","1","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0428","0.0356","","","0.0978","0.1068","","","","","","1.099","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121195","17.727","0.0005","13.7111","0.0004","17.849","0.0005","90","","99.773","0.001","90","","4275.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Cl Hf N2 P2 -","- C44 H62 Cl Hf N2 P2 -","- C176 H248 Cl4 Hf4 N8 P8 -","4","1","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0301","0.0232","","","0.0483","0.0506","","","","","","1.051","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121196","13.3358","0.0006","25.5782","0.0013","31.842","0.0014","90","","90","","90","","10861.5","0.9","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H78 Cl2 Hf N2 P2 -","- C58 H78 Cl2 Hf N2 P2 -","- C464 H624 Cl16 Hf8 N16 P16 -","8","2","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0617","0.065","","","","","","1.058","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121197","19.9333","0.0007","9.8491","0.0003","16.6571","0.0006","90","","98.999","0.001","90","","3229.95","0.19","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-phenyl-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-a]quinolin-3-ol","","- C19 H14 F3 N O2 -","- C19 H14 F3 N O2 -","- C152 H112 F24 N8 O16 -","8","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.","Metal-free stereoselective annulation of quinolines with trifluoroacetylacetylenes and water: an access to fluorinated oxazinoquinolines.","Chemical communications (Cambridge, England)","2018","54","18","2268","2271","10.1039/c7cc09725e","","","0.71073","MoKα","","0.0384","0.0334","","","0.0862","0.09","","","","","","1.032","","","","has coordinates","228446","2020-10-21","18:00:00",""
"7121198","10.054","0.005","15.229","0.009","17.101","0.01","90","","95.46","0.02","90","","2606","3","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Br2 F3 N2 O2 -","- C28 H19 Br2 F3 N2 O2 -","- C112 H76 Br8 F12 N8 O8 -","4","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.","Metal-free stereoselective annulation of quinolines with trifluoroacetylacetylenes and water: an access to fluorinated oxazinoquinolines.","Chemical communications (Cambridge, England)","2018","54","18","2268","2271","10.1039/c7cc09725e","","","0.71073","MoKα","","0.0852","0.0445","","","0.0776","0.0889","","","","","","1.021","","","","has coordinates","228446","2020-10-21","18:00:00",""
"7121199","27.885","0.006","27.885","","12.931","0.003","90","","90","","90","","10055","3","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C27 H18 F4 Ir N5 O2.5 -","- C27 H18 F4 Ir N5 O2.5 -","- C432 H288 F64 Ir16 N80 O40 -","16","1","","Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with ""aggregation-induced emission enhancement"" (AIEE)-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","14","1730","1733","10.1039/c7cc08832a","","","0.71073","MoKα","","0.037","0.0265","","","0.0658","0.0796","","","","","","1.107","","","","has coordinates","228395","2020-10-21","18:00:00",""
"7121200","10.047","0.0008","11.116","0.0008","16.257","0.0013","98.712","0.0013","104.853","0.0014","98.326","0.0014","1702.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 F6 Ir N5 O2 -","- C33 H28 F6 Ir N5 O2 -","- C66 H56 F12 Ir2 N10 O4 -","2","1","","Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with ""aggregation-induced emission enhancement"" (AIEE)-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","14","1730","1733","10.1039/c7cc08832a","","","0.71069","MoKα","","0.0909","0.0702","","","0.1964","0.2145","","","","","","1.074","","","","has coordinates","228395","2020-10-21","18:00:00",""
"7121201","11.546","0.016","13.292","0.019","13.599","0.019","109.302","0.003","110.41","0.002","103.766","0.003","1692","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H18 Cl4 Ir N5 O2 -","- C27 H18 Cl4 Ir N5 O2 -","- C54 H36 Cl8 Ir2 N10 O4 -","2","1","","Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with ""aggregation-induced emission enhancement"" (AIEE)-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","14","1730","1733","10.1039/c7cc08832a","","","0.71069","MoKα","","0.1148","0.0735","","","0.2119","0.2491","","","","","","1.041","","","","has coordinates","228395","2020-10-21","18:00:00",""
"7121202","13.872","0.0016","10.096","0.0012","22.338","0.003","90","","105.767","0.002","90","","3010.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 F6 Ir N5 O3 -","- C30 H24 F6 Ir N5 O3 -","- C120 H96 F24 Ir4 N20 O12 -","4","1","","Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with ""aggregation-induced emission enhancement"" (AIEE)-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","14","1730","1733","10.1039/c7cc08832a","","","0.71069","MoKα","","0.0734","0.0405","","","0.0897","0.101","","","","","","0.939","","","","has coordinates","228395","2020-10-21","18:00:00",""
"7121203","17.161","0.003","9.905","0.002","23.645","0.005","90","0.03","104.93","0.03","90","0.03","3883.5","1.4","283","2","283","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H21 F4 Ir N8 O9 -","- C33 H21 F4 Ir N8 O9 -","- C132 H84 F16 Ir4 N32 O36 -","4","1","","Che, Weilong; Li, Guangfu; Liu, Xingman; Shao, Kuizhan; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Selective sensing of 2,4,6-trinitrophenol (TNP) in aqueous media with ""aggregation-induced emission enhancement"" (AIEE)-active iridium(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","14","1730","1733","10.1039/c7cc08832a","","","0.71073","MoKα","","0.0743","0.0481","","","0.139","0.1606","","","","","","1.219","","","","has coordinates","228395","2020-10-21","18:00:00",""
"7121204","15.6759","0.0003","10.396","0.0002","14.9375","0.0002","90","","102.563","0.001","90","","2376.03","0.07","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H23 Br N2 O2 -","- C29 H23 Br N2 O2 -","- C116 H92 Br4 N8 O8 -","4","1","","Bao, Xiaoze; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","C6' steric bulk of cinchona alkaloid enables an enantioselective Michael addition/annulation sequence toward pyranopyrazoles.","Chemical communications (Cambridge, England)","2018","54","16","2028","2031","10.1039/c8cc00154e","","","0.71073","MoKα","","0.0367","0.0308","","","0.0774","0.08","","","","","","1.023","","","","has coordinates","228286","2020-10-21","18:00:00",""
"7121205","5.861","0.002","9.841","0.003","13.802","0.005","90.674","0.005","93.458","0.005","92.833","0.005","793.6","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C34 H38 N2 O6 S2 -","2","1","","Chen, Jun; Guo, Hong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Visible light-driven photocatalytic generation of sulfonamidyl radicals for alkene hydroamination of unsaturated sulfonamides.","Chemical communications (Cambridge, England)","2018","54","50","6780","6783","10.1039/c7cc09871e","","","0.71073","MoKα","","0.068","0.0548","","","0.1538","0.1703","","","","","","1.034","","","","has coordinates","228307","2020-10-21","18:00:00",""
"7121206","8.1382","0.0001","11.2235","0.0002","19.4636","0.0003","90","","90","","90","","1777.79","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","","Chen, Jun; Guo, Hong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Visible light-driven photocatalytic generation of sulfonamidyl radicals for alkene hydroamination of unsaturated sulfonamides.","Chemical communications (Cambridge, England)","2018","54","50","6780","6783","10.1039/c7cc09871e","","","1.54178","CuKα","","0.0285","0.0281","","","0.0807","0.081","","","","","","1.061","","","","has coordinates","228307","2020-10-21","18:00:00",""
"7121207","12.4226","0.0003","13.5015","0.0002","16.1699","0.0003","106.698","0.002","103.359","0.002","101.267","0.002","2425.67","0.1","123","0.3","123","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C112 H130 Fe2 O2 P4 -","- C112 H130 Fe2 O2 P4 -","- C112 H130 Fe2 O2 P4 -","1","0.5","","Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.","Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp<sup>BIG</sup>Fe)<sub>2</sub>(μ,η<sup>4:4</sup>-E<sub>4</sub>)] (E = P and As).","Chemical communications (Cambridge, England)","2018","54","18","2244","2247","10.1039/c7cc09730a","","","1.54178","CuKα","","0.0367","0.0332","","","0.0907","0.092","","","","","","1.072","","","","has coordinates,has disorder","228440","2020-10-21","18:00:00",""
"7121208","13.4626","0.0004","13.7448","0.0003","16.0091","0.0004","92.777","0.002","114.468","0.003","107.131","0.002","2526.71","0.14","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C55 H65 As5 Fe -","- C55 H65 As5 Fe -","- C110 H130 As10 Fe2 -","2","1","","Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.","Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp<sup>BIG</sup>Fe)<sub>2</sub>(μ,η<sup>4:4</sup>-E<sub>4</sub>)] (E = P and As).","Chemical communications (Cambridge, England)","2018","54","18","2244","2247","10.1039/c7cc09730a","","","1.54178","CuKα","","0.0294","0.0292","","","0.0784","0.0786","","","","","","1.078","","","","has coordinates","228440","2020-10-21","18:00:00",""
"7121209","26.8253","0.0005","24.577","0.0005","28.7258","0.0005","90","","90","","90","","18938.5","0.6","123.01","0.11","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110.15 H130.3 As4 Cl0.3 Fe2 -","- C110.15 H130.3 As4 Cl0.3 Fe2 -","- C881.2 H1042.4 As32 Cl2.4 Fe16 -","8","1","","Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.","Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp<sup>BIG</sup>Fe)<sub>2</sub>(μ,η<sup>4:4</sup>-E<sub>4</sub>)] (E = P and As).","Chemical communications (Cambridge, England)","2018","54","18","2244","2247","10.1039/c7cc09730a","","x-ray","1.54178","CuKα","","0.0809","0.0589","","","0.1647","0.1751","","","","","","1.062","","","","has coordinates,has disorder","228440","2020-10-21","18:00:00",""
"7121210","17.9595","0.0004","20.6577","0.0005","23.1771","0.0003","98.9194","0.0014","106.184","0.0014","114.402","0.002","7152.4","0.3","122.9","0.5","122.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C166 H196.5 As6 Fe3 N0.5 -","- C166 H196.5 As6 Fe3 N0.5 -","- C332 H393 As12 Fe6 N -","2","1","","Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.","Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp<sup>BIG</sup>Fe)<sub>2</sub>(μ,η<sup>4:4</sup>-E<sub>4</sub>)] (E = P and As).","Chemical communications (Cambridge, England)","2018","54","18","2244","2247","10.1039/c7cc09730a","","x-ray","1.54178","CuKα","","0.0742","0.0606","","","0.1771","0.1831","","","","","","1","","","","has coordinates,has disorder","228440","2020-10-21","18:00:00",""
"7121211","18.5324","0.001","18.5324","0.001","40.25","0.004","90","","90","","120","","11971.8","1.5","153","2","153","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","SNNU-65-Ga-Cu","","- C90 H51 Cu6 Ga3 N0 O46 -","- C90 H51 Cu6 Ga3 O46 -","- C180 H102 Cu12 Ga6 O92 -","2","0.0833333","","Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo","Assembly of [Cu<sub>2</sub>(COO)<sub>4</sub>] and [M<sub>3</sub>(μ<sub>3</sub>-O)(COO)<sub>6</sub>] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> separation performance.","Chemical communications (Cambridge, England)","2018","54","16","2012","2015","10.1039/c7cc09484a","","","0.71073","MoKα","","0.0992","0.0882","","","0.1959","0.2029","","","","","","1.147","","","","has coordinates","228284","2020-10-21","18:00:00",""
"7121212","23.629","0.003","23.629","0.003","16.877","0.002","90","","90","","120","","8160.5","1.8","93","2","93","2","","","","","","","","6","P 31","P 31","144","","","","- C34.67 H38.33 Cl4.33 Fe2 N4 Pd -","- C34.6667 H38.3333 Cl4.33333 Fe2 N4 Pd -","- C312 H345 Cl39 Fe18 N36 Pd9 -","9","3","","Haraguchi, Ryosuke; Hoshino, Shun; Yamazaki, Tatsuro; Fukuzawa, Shin-Ichi","Chiral triazolylidene-Pd-PEPPSI: synthesis, characterization, and application in asymmetric Suzuki-Miyaura cross-coupling.","Chemical communications (Cambridge, England)","2018","54","17","2110","2113","10.1039/c7cc09960f","","","0.71075","MoKα","","0.1107","0.088","","","0.1868","0.2047","","","","","","1.063","","","","has coordinates","228215","2020-10-21","18:00:00",""
"7121213","13.7293","0.0009","20.0802","0.0014","16.8259","0.0011","90","","101.186","0.003","90","","4550.6","0.5","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C75 H95 Cl9 N12 O32.5 -","- C75 H95 Cl9 N12 O32.5 -","- C150 H190 Cl18 N24 O65 -","2","1","","Ragab, Sherif S.; Kassir, Ahmad F.; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Cooperative 5- and 10-membered ring interactions in the 10-helix folding of oxetin homo-oligomers.","Chemical communications (Cambridge, England)","2018","54","16","1968","1971","10.1039/c7cc09964a","","x-ray","1.54178","CuKα","","0.0944","0.0864","","","0.2252","0.2316","","","","","","1.031","","","","has coordinates","228288","2020-10-21","18:00:00",""
"7121214","8.851","0.005","10.081","0.006","28.437","0.014","90","","91.989","0.015","90","","2536","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N3 O5 -","- C29 H29 N3 O5 -","- C116 H116 N12 O20 -","4","2","","Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang","Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes.","Chemical communications (Cambridge, England)","2018","54","18","2260","2263","10.1039/c7cc09489b","","","0.71073","MoKα","","0.1351","0.0579","","","0.0935","0.1057","","","","","","1.17","","","","has coordinates","228447","2020-10-21","18:00:00",""
"7121215","12.2486","0.0005","10.5812","0.0005","21.0573","0.0011","90","","93.509","0.002","90","","2724","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cl2 F N3 O5 -","- C28 H24 Cl2 F N3 O5 -","- C112 H96 Cl8 F4 N12 O20 -","4","1","","Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang","Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes.","Chemical communications (Cambridge, England)","2018","54","18","2260","2263","10.1039/c7cc09489b","","","0.71073","MoKα","","0.104","0.089","","","0.2893","0.3114","","","","","","1.14","","","","has coordinates,has disorder","228447","2020-10-21","18:00:00",""
"7121216","9.612","0.0005","9.9405","0.0004","52.933","0.003","90","","90","","90","","5057.6","0.4","210.01","0.1","210.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O5 -","- C29 H29 N3 O5 -","- C232 H232 N24 O40 -","8","2","","Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang","Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes.","Chemical communications (Cambridge, England)","2018","54","18","2260","2263","10.1039/c7cc09489b","","","1.54184","CuKα","","0.0814","0.0537","","","0.1025","0.1169","","","","","","0.977","","","","has coordinates","228447","2020-10-21","18:00:00",""
"7121217","12.1407","0.0014","12.3264","0.0015","18.962","0.002","76.882","0.002","79.997","0.002","62.072","0.002","2434.3","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H58 B2 Cl6 Fe K N6 O14 -","- C34 H58 B2 Cl6 Fe K N6 O14 -","- C68 H116 B4 Cl12 Fe2 K2 N12 O28 -","2","1","","Voloshin, Yan Z.; Novikov, Valentin V.; Nelyubina, Yulia V.; Belov, Alexander S.; Roitershtein, Dmitrii M.; Savitsky, Anton; Mokhir, Andriy; Sutter, Jörg; Miehlich, Matthias E.; Meyer, Karsten","Synthesis and characterization of an Fe(i) cage complex with high stability towards strong H-acids.","Chemical communications (Cambridge, England)","2018","54","28","3436","3439","10.1039/c7cc09611a","","","0.71073","MoKα","","0.0866","0.0676","","","0.1895","0.2158","","","","","","1.317","","","","has coordinates,has disorder","227981","2020-10-21","18:00:00",""
"7121218","12.1407","0.0014","12.3264","0.0015","18.962","0.002","76.882","0.002","79.997","0.002","62.072","0.002","2434.3","0.5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H58 B2 Cl6 Fe K N6 O14 -","- C34 H58 B2 Cl6 Fe0.998 K N6 O14 -","- C68 H116 B4 Cl12 Fe1.996 K2 N12 O28 -","2","1","","Voloshin, Yan Z.; Novikov, Valentin V.; Nelyubina, Yulia V.; Belov, Alexander S.; Roitershtein, Dmitrii M.; Savitsky, Anton; Mokhir, Andriy; Sutter, Jörg; Miehlich, Matthias E.; Meyer, Karsten","Synthesis and characterization of an Fe(i) cage complex with high stability towards strong H-acids.","Chemical communications (Cambridge, England)","2018","54","28","3436","3439","10.1039/c7cc09611a","","","0.71073","MoKα","","0.0731","0.0555","","","0.1546","0.1816","","","","","","1.105","","","","has coordinates,has disorder","227981","2020-10-21","18:00:00",""
"7121219","10.6018","0.0002","17.0612","0.0003","21.6709","0.0003","82","0.001","82.577","0.002","87.172","0.001","3847.18","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H94 Cl6 N2 O13 -","- C82 H94 Cl6 N2 O13 -","- C164 H188 Cl12 N4 O26 -","2","1","","Arai, Kenta; Ueda, Yoshihiro; Morisaki, Kazuhiro; Furuta, Takumi; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo","Intermolecular chemo- and regioselective aromatic C-H amination of alkoxyarenes promoted by rhodium nitrenoids.","Chemical communications (Cambridge, England)","2018","54","18","2264","2267","10.1039/c7cc09952e","","","0.71073","MoKα","","0.0801","0.0505","","","0.1132","0.1267","","","","","","1.01","","","","has coordinates,has disorder","228444","2020-10-21","18:00:00",""
"7121220","11.0623","0.0005","18.5108","0.0009","9.7609","0.0004","90","","98.868","0.002","90","","1974.87","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl N O -","- C24 H18 Cl N O -","- C96 H72 Cl4 N4 O4 -","4","1","","Hsu, Yu-Chen; Hsieh, Shu-An; Li, Po-Hsuan; Liu, Rai-Shung","Gold-catalyzed N,O-functionalization of 1,4-diyn-3-ols with N-hydroxyanilines to form highly functionalized pyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","17","2114","2117","10.1039/c8cc00330k","","","0.71073","MoKα","","0.082","0.0464","","","0.1095","0.1281","","","","","","1.025","","","","has coordinates","228219","2020-10-21","18:00:00",""
"7121221","9.6383","0.0014","9.7333","0.0011","10.4533","0.0014","80.286","0.004","71.715","0.004","74.791","0.004","894.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Hsu, Yu-Chen; Hsieh, Shu-An; Li, Po-Hsuan; Liu, Rai-Shung","Gold-catalyzed N,O-functionalization of 1,4-diyn-3-ols with N-hydroxyanilines to form highly functionalized pyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","17","2114","2117","10.1039/c8cc00330k","","","0.71073","MoKα","","0.1081","0.0692","","","0.1179","0.1303","","","","","","1.129","","","","has coordinates","228219","2020-10-21","18:00:00",""
"7121222","5.8216","0.0002","19.8873","0.0008","27.2396","0.0009","90","","90","","90","","3153.7","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C160 H144 N16 -","8","1","","Wang, Ting-Ting; Zhang, Di; Liao, Wei-Wei","Versatile synthesis of functionalized β- and γ-carbolines via Pd-catalyzed C-H addition to nitriles/cyclization sequences.","Chemical communications (Cambridge, England)","2018","54","16","2048","2051","10.1039/c8cc00040a","","","1.54178","CuKα","","0.1748","0.1282","","","0.2265","0.2439","","","","","","1.039","","","","has coordinates","228283","2020-10-21","18:00:00",""
"7121223","7.5703","0.0005","11.2253","0.0008","11.2607","0.0008","113.159","0.002","96.838","0.003","101.414","0.002","841.58","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C42 H40 N4 O2 -","2","1","","Wang, Ting-Ting; Zhang, Di; Liao, Wei-Wei","Versatile synthesis of functionalized β- and γ-carbolines via Pd-catalyzed C-H addition to nitriles/cyclization sequences.","Chemical communications (Cambridge, England)","2018","54","16","2048","2051","10.1039/c8cc00040a","","","0.71073","MoKα","","0.0819","0.055","","","0.1428","0.1666","","","","","","1.037","","","","has coordinates","228283","2020-10-21","18:00:00",""
"7121224","21.1661","0.0009","6.9223","0.0003","23.4838","0.0009","90","","91.652","0.002","90","","3439.4","0.2","373","2","373","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C168 H192 O36 -","12","3","","Viswanadh, N.; Ghotekar, Ganesh S.; Thoke, Mahesh B.; Velayudham, R.; Shaikh, Aslam C.; Karthikeyan, M.; Muthukrishnan, M.","Transition metal free regio-selective C-H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)<sub>2</sub> as the oxidant.","Chemical communications (Cambridge, England)","2018","54","18","2252","2255","10.1039/c7cc08588e","","","0.71073","MoKα","","0.0641","0.0528","","","0.105","0.1099","","","","","","1.164","","","","has coordinates","228441","2020-10-21","18:00:00",""
"7121225","7.9634","0.0004","10.2991","0.0005","11.6563","0.0006","90","","91.605","0.004","90","","955.63","0.08","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Viswanadh, N.; Ghotekar, Ganesh S.; Thoke, Mahesh B.; Velayudham, R.; Shaikh, Aslam C.; Karthikeyan, M.; Muthukrishnan, M.","Transition metal free regio-selective C-H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)<sub>2</sub> as the oxidant.","Chemical communications (Cambridge, England)","2018","54","18","2252","2255","10.1039/c7cc08588e","","","0.71073","MoKα","","0.0739","0.0593","","","0.1145","0.12","","","","","","1.169","","","","has coordinates","228441","2020-10-21","18:00:00",""
"7121226","9.0952","0.0018","10.01","0.002","10.595","0.002","95.63","0.03","93.85","0.03","103.51","0.03","929.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 F6 N O2 -","- C21 H17 F6 N O2 -","- C42 H34 F12 N2 O4 -","2","1","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.07","0.0567","","","0.1351","0.1458","","","","","","1.019","","","","has coordinates","228451","2020-10-21","18:00:00",""
"7121227","8.0313","0.0016","7.93","0.0016","20.946","0.004","90","","99.56","0.03","90","","1315.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F6 O2 S -","- C14 H10 F6 O2 S -","- C56 H40 F24 O8 S4 -","4","1","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.1032","0.0887","","","0.2121","0.2283","","","","","","1.051","","","","has coordinates,has disorder","228451","2020-10-21","18:00:00",""
"7121228","10.19","0.002","12.17","0.002","15.44","0.003","90","","104.72","0.03","90","","1851.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F9 N O4 -","- C18 H14 F9 N O4 -","- C72 H56 F36 N4 O16 -","4","1","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.0452","0.0393","","","0.0982","0.1037","","","","","","1.038","","","","has coordinates","228451","2020-10-21","18:00:00",""
"7121229","5.35","0.0011","9.655","0.0019","13.985","0.003","97.81","0.03","98.93","0.03","102.32","0.03","686.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 F6 O2 S -","- C14 H10 F6 O2 S -","- C28 H20 F12 O4 S2 -","2","1","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.081","0.071","","","0.1736","0.1835","","","","","","1.003","","","","has coordinates","228451","2020-10-21","18:00:00",""
"7121230","11.47","0.002","18.01","0.004","17.04","0.003","90","","108.15","0.03","90","","3344.9","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F9 N O3 -","- C16 H10 F9 N O3 -","- C128 H80 F72 N8 O24 -","8","2","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.0589","0.0451","","","0.1187","0.1288","","","","","","1.023","","","","has coordinates","228451","2020-10-21","18:00:00",""
"7121231","18.903","0.004","5.5733","0.0011","36.08","0.007","90","","90","","90","","3801.1","1.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H17 F6 N O2 -","- C21 H17 F6 N O2 -","- C168 H136 F48 N8 O16 -","8","2","","Borisova, Kseniya K.; Nikitina, Eugeniya V.; Novikov, Roman A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Kuznetsov, Maxim L.; Zaytsev, Vladimir P.; Varlamov, Alexey V.; Zubkov, Fedor I.","Diels-Alder reactions between hexafluoro-2-butyne and bis-furyl dienes: kinetic versus thermodynamic control.","Chemical communications (Cambridge, England)","2018","54","23","2850","2853","10.1039/c7cc09466c","","","0.9699","synchrotron","","0.1426","0.1099","","","0.2352","0.2601","","","","","","0.915","","","","has coordinates,has disorder","228451","2020-10-21","18:00:00",""
"7121232","18.9989","0.0006","19.6522","0.0006","20.0079","0.0007","89.782","0.001","80.632","0.001","88.26","0.001","7367.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C210 H208 F18 N96 O60 Pt4 S6 -","- C209.996 H207.996 F18 N95.9993 O60 Pt3.99982 S6 -","- C209.996 H207.996 F18 N95.9993 O60 Pt3.99982 S6 -","1","0.5","","Kuang, Shengjian; Hu, Zhixiong; Zhang, Hao; Zhang, Xiongzhi; Liang, Feng; Zhao, Zhiyong; Liu, Simin","Enhancement of metal-metal interactions inside a large-cavity synthetic host in water.","Chemical communications (Cambridge, England)","2018","54","17","2169","2172","10.1039/c8cc00593a","","","0.71073","MoKα","","0.117","0.0949","","","0.2207","0.2368","","","","","","1.167","","","","has coordinates,has disorder","228214","2020-10-21","18:00:00",""
"7121233","11.5669","0.0004","22.0229","0.0006","24.962","0.0007","90","","98.749","0.003","90","","6284.7","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ru5","","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C58.5 H60 Cl4 N6 O5.5 Ru2 S4 -","- C234 H240 Cl16 N24 O22 Ru8 S16 -","4","1","","Qin, Qi-Pin; Meng, Ting; Tan, Ming-Xiong; Liu, Yan-Cheng; Wang, Shu-Long; Zou, Bi-Qun; Liang, Hong","Synthesis, characterization and biological evaluation of six highly cytotoxic ruthenium(ii) complexes with 4'-substituted-2,2':6',2''-terpyridine.","MedChemComm","2018","9","3","525","533","10.1039/c7md00532f","","x-ray","0.71073","MoKα","","0.0897","0.0583","","","0.1559","0.176","","","","","","1.033","","","","has coordinates","230146","2020-10-21","18:00:00",""
"7121234","9.83402","0.0001","10.87734","0.00015","19.1786","0.0003","104.504","0.0012","103.273","0.001","91.6813","0.001","1924.83","0.05","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H41 F3 N2 O Ti -","- C47.5 H41 F3 N2 O Ti -","- C95 H82 F6 N4 O2 Ti2 -","2","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.0687","0.0482","","","0.1186","0.1257","","","","","","1.015","","","","has coordinates,has disorder","228448","2020-10-21","18:00:00",""
"7121235","28.9605","0.0016","28.9605","0.0016","5.6946","0.0003","90","","90","","120","","4136.2","0.4","110","1","110","1","","","","","","","","4","P 32","P 32","145","","","","- C24 H16 F2 N2 -","- C24 H16 F2 N2 -","- C216 H144 F18 N18 -","9","3","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.1034","0.0742","","","0.1207","0.133","","","","","","1.054","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121236","14.1238","0.0003","8.54517","0.00018","15.8226","0.0003","90","","90","","90","","1909.63","0.07","110","1","110","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H18 F2 N2 -","- C24 H18 F2 N2 -","- C96 H72 F8 N8 -","4","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","1.54184","CuKα","","0.1151","0.0928","","","0.2666","0.317","","","","","","1.226","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121237","17.51974","0.00011","9.24966","0.00005","22.74222","0.00019","90","","107.382","0.0008","90","","3517.12","0.04","120","1","120","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C47.5 H39 N -","- C47.5 H39 N -","- C190 H156 N4 -","4","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","1.54184","CuKα","","0.0545","0.0497","","","0.1152","0.1185","","","","","","1.042","","","","has coordinates,has disorder","228448","2020-10-21","18:00:00",""
"7121238","9.06788","0.00017","5.5036","0.00016","37.4304","0.0011","90","","96.012","0.002","90","","1857.73","0.08","110","1","110","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 F3 N2 -","- C24 H15 F3 N2 -","- C96 H60 F12 N8 -","4","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","1.5418","CuKα","","0.0472","0.0398","","","0.1029","0.109","","","","","","1.064","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121239","16.1155","0.0004","10.2929","0.0003","20.6155","0.0005","90","","90.803","0.002","90","","3419.26","0.15","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 F6 N -","- C45 H27 F6 N -","- C180 H108 F24 N4 -","4","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.0967","0.0574","","","0.1125","0.1288","","","","","","1.026","","","","has coordinates","228448","2020-10-21","18:00:00",""
"7121240","9.652","0.005","9.262","0.004","10.579","0.005","90","","107.03","0.014","90","","904.3","0.7","100","2","100","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H19 N -","- C25 H19 N -","- C50 H38 N2 -","2","1","","Foschi, Francesco; Roth, Torsten; Enders, Markus; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H.","Isolation and structural characterization of a titanacyclopropane as key intermediate in the double aryl Grignard addition to 2-(arylethynyl)pyridine derivatives.","Chemical communications (Cambridge, England)","2018","54","18","2228","2231","10.1039/c8cc00478a","","x-ray","0.71073","MoKα","","0.0608","0.0449","","","0.0937","0.1009","","","","","","1.048","","","","has coordinates,has disorder","228448","2020-10-21","18:00:00",""
"7121241","6.1877","0.0005","8.3211","0.0006","11.0677","0.0008","92.077","0.001","102.377","0.001","104.581","0.001","536.23","0.07","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H7 B F5 N O3 -","- C8 H7 B F5 N O3 -","- C16 H14 B2 F10 N2 O6 -","2","1","","Smirnov, Vladimir O.; Maslov, Anton S.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Dilman, Alexander D.","Photoredox generation of the trifluoromethyl radical from borate complexes via single electron reduction.","Chemical communications (Cambridge, England)","2018","54","18","2236","2239","10.1039/c8cc00245b","","","0.71073","MoKα","","0.0414","0.0355","","","0.0933","0.0969","","","","","","1.04","","","","has coordinates","228437","2020-10-21","18:00:00",""
"7121242","13.3594","0.0007","8.1912","0.0004","12.4704","0.0007","90","","97.696","0.001","90","","1352.34","0.12","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 B F9 N O3 -","- C10 H7 B F9 N O3 -","- C40 H28 B4 F36 N4 O12 -","4","1","","Smirnov, Vladimir O.; Maslov, Anton S.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Dilman, Alexander D.","Photoredox generation of the trifluoromethyl radical from borate complexes via single electron reduction.","Chemical communications (Cambridge, England)","2018","54","18","2236","2239","10.1039/c8cc00245b","","","0.71073","MoKα","","0.0399","0.0324","","","0.089","0.0947","","","","","","1.023","","","","has coordinates","228437","2020-10-21","18:00:00",""
"7121243","6.5853","0.0003","8.4322","0.0003","11.3892","0.0004","92.3437","0.0015","91.5258","0.0015","93.7139","0.0015","630.3","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C32 H48 O4 -","2","1","","Nakanishi, Yusuke; Omachi, Haruka; Fokina, Natalie A.; Schreiner, Peter R.; Becker, Jonathan; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Shinohara, Hisanori","One-dimensional hydrogen bonding networks of bis-hydroxylated diamantane formed inside double-walled carbon nanotubes.","Chemical communications (Cambridge, England)","2018","54","31","3823","3826","10.1039/c7cc09832d","","","0.71073","MoKα","","0.0468","0.0391","","","0.1045","0.109","","","","","","1.059","","","","has coordinates","228428","2020-10-21","18:00:00",""
"7121244","10.7847","0.0011","8.7041","0.0009","28.524","0.004","90","","99.114","0.01","90","","2643.8","0.5","296.61","0.19","296.61","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F5 O2 -","- C15 H9 F5 O2 -","- C120 H72 F40 O16 -","8","2","","Shen, Yi; Wu, Xin-Xing; Chen, Si; Xia, Yu; Liang, Yong-Min","Synthesis of polyfluoroarene-substituted benzofuran derivatives via cooperative Pd/Cu catalysis.","Chemical communications (Cambridge, England)","2018","54","18","2256","2259","10.1039/c8cc00489g","","","0.71073","MoKα","","0.1804","0.079","","","0.1733","0.231","","","","","","1.036","","","","has coordinates","228443","2020-10-21","18:00:00",""
"7121245","12.866","0.0003","13.4392","0.0004","11.7656","0.0004","90","","90","","90","","2034.38","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 Cl4 N O2 -","- C21 H19 Cl4 N O2 -","- C84 H76 Cl16 N4 O8 -","4","1","","Shen, Yi; Wu, Xin-Xing; Chen, Si; Xia, Yu; Liang, Yong-Min","Synthesis of polyfluoroarene-substituted benzofuran derivatives via cooperative Pd/Cu catalysis.","Chemical communications (Cambridge, England)","2018","54","18","2256","2259","10.1039/c8cc00489g","","","0.71073","MoKα","","0.0438","0.0343","","","0.071","0.0782","","","","","","1.025","","","","has coordinates","228443","2020-10-21","18:00:00",""
"7121246","13.2065","0.0013","6.4912","0.0005","14.9358","0.0016","90","","110.261","0.011","90","","1201.2","0.2","292.9","0.5","292.9","0.5","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu","Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.","Chemical communications (Cambridge, England)","2018","54","16","2040","2043","10.1039/c8cc00001h","","","0.71073","MoKα","","0.1094","0.069","","","0.1882","0.2245","","","","","","1.09","","","","has coordinates","228282","2020-10-21","18:00:00",""
"7121247","7.467","0.0016","8.1131","0.0016","10.193","0.002","107.549","0.019","90.344","0.018","106.555","0.018","561.5","0.2","273.77","0.1","273.77","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 F O2 -","- C13 H15 F O2 -","- C26 H30 F2 O4 -","2","1","","Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu","Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.","Chemical communications (Cambridge, England)","2018","54","16","2040","2043","10.1039/c8cc00001h","","x-ray","0.71073","MoKα","","0.0887","0.055","","","0.1163","0.1404","","","","","","1.127","","","","has coordinates","228282","2020-10-21","18:00:00",""
"7121248","6.4202","0.0014","8.678","0.002","15.259","0.004","77.58","0.02","82.191","0.019","85.69","0.02","821.6","0.3","294.06","0.1","294.06","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu","Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.","Chemical communications (Cambridge, England)","2018","54","16","2040","2043","10.1039/c8cc00001h","","x-ray","0.71073","MoKα","","0.1187","0.0637","","","0.1343","0.1788","","","","","","1.055","","","","has coordinates","228282","2020-10-21","18:00:00",""
"7121249","5.0801","0.0007","17.337","0.003","13.987","0.002","90","","95.513","0.014","90","","1226.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu","Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.","Chemical communications (Cambridge, England)","2018","54","16","2040","2043","10.1039/c8cc00001h","","","1.54184","CuKα","","0.082","0.0671","","","0.1855","0.2069","","","","","","1.053","","","","has coordinates","228282","2020-10-21","18:00:00",""
"7121250","8.7249","0.0009","10.4654","0.0011","11.1884","0.0013","69.439","0.01","87.119","0.009","66.575","0.01","872.93","0.19","100.15","","100.15","0.1","","","","","","","","6","P -1","-P 1","2","Mo-doped Decavanadate","NaNH4MoV9","","- H32 Mo N3 Na2 O38 V9 -","- H32 Mo N3 Na2 O38 V9 -","- H32 Mo N3 Na2 O38 V9 -","1","0.5","","Barman, Soumitra; Das, Santu; S S, Sreejith; Garai, Somnath; Pochamoni, Ramudu; Roy, Soumyajit","Selective light driven reduction of CO<sub>2</sub> to HCOOH in water using a {MoV<sub>9</sub>}<sub>n</sub> (n = 1332-3600) based soft-oxometalate (SOM).","Chemical communications (Cambridge, England)","2018","54","19","2369","2372","10.1039/c7cc09520a","","","0.71073","MoKα","","0.067","0.0587","","","0.1742","0.1827","","","","","","1.086","","","","has coordinates","228262","2020-10-21","18:00:00",""
"7121251","9.99169","0.00011","14.13348","0.00014","13.64326","0.00015","90","","110.211","0.0012","90","","1808.03","0.04","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","4,4'-(10-phenyl-10H-spiro[acridine-9,1'-indene]-2',3'-diyl)bis(5-methyl-2-phenylthiazole)","","- C47 H33 N3 S2 -","- C47 H33 N3 S2 -","- C94 H66 N6 S4 -","2","1","","Nakagawa, Tetsuya; Miyasaka, Yosuke; Yokoyama, Yasushi","Photochromism of a spiro-functionalized diarylethene derivative: multi-colour fluorescence modulation with a photon-quantitative photocyclization reactivity.","Chemical communications (Cambridge, England)","2018","54","26","3207","3210","10.1039/c8cc00566d","","","1.54184","CuKα","","0.0385","0.0373","","","0.0979","0.1005","","","","","","1.045","","","","has coordinates","228175","2020-10-21","18:00:00",""
"7121252","10.9285","0.0002","19.4442","0.0004","20.0693","0.0005","90","","98.632","0.002","90","","4216.34","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H59.7 Cl6.3 O2 P2 Si W -","- C34 H59.7 Cl6.3 O2 P2 Si W -","- C136 H238.8 Cl25.2 O8 P8 Si4 W4 -","4","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0456","0.0372","","","0.0973","0.1042","","","","","","1.063","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121253","12.31677","0.00014","14.9414","0.0003","18.7844","0.0003","90","","90","","90","","3456.89","0.1","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 Cl6 O P2 W -","- C27 H49 Cl6 O P2 W -","- C108 H196 Cl24 O4 P8 W4 -","4","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0524","0.0502","","","0.1187","0.1204","","","","","","1.076","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121254","14.7156","0.0004","23.4584","0.0006","23.8845","0.0007","90","","90","","90","","8245","0.4","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H59 Cl3 P2 W -","- C32 H59 Cl3 P2 W -","- C256 H472 Cl24 P16 W8 -","8","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0718","0.0525","","","0.1224","0.1335","","","","","","1.077","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121255","12.31677","0.00014","14.9414","0.0003","18.7844","0.0003","90","","90","","90","","3456.89","0.1","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 Cl6.43 O0.58 P2 W -","- C27 H49 Cl7 P2 W -","- C108 H196 Cl28 P8 W4 -","4","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0729","0.0703","","","0.1614","0.1637","","","","","","1.059","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121256","9.27904","0.00005","18.37857","0.00009","16.77742","0.00008","90","","104.276","0.0005","90","","2772.8","0.02","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H30 F N3 O3 S -","- C32 H30 F N3 O3 S -","- C128 H120 F4 N12 O12 S4 -","4","2","","Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing","Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles.","Chemical communications (Cambridge, England)","2018","54","19","2353","2356","10.1039/c7cc09640b","","x-ray","1.54184","CuKα","","0.0351","0.0328","","","0.0857","0.0882","","","","","","1.049","","","","has coordinates","228260","2020-10-21","18:00:00",""
"7121257","8.6912","0.0005","27.8849","0.0016","11.428","0.0006","90","","94.876","0.005","90","","2759.6","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H30 Cl N3 O3 S -","- C32 H30 Cl N3 O3 S -","- C128 H120 Cl4 N12 O12 S4 -","4","2","","Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing","Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles.","Chemical communications (Cambridge, England)","2018","54","19","2353","2356","10.1039/c7cc09640b","","x-ray","1.54184","CuKα","","0.0456","0.0427","","","0.1304","0.137","","","","","","1.105","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7121258","8.9433","0.0001","19.2152","0.0003","13.0237","0.0002","90","","96.049","0.001","90","","2225.63","0.05","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F N3 O2 S -","- C25 H24 F N3 O2 S -","- C100 H96 F4 N12 O8 S4 -","4","1","","Yu, Lemao; Zhong, Yuan; Yu, Jicong; Gan, Lu; Cai, Zhengjun; Wang, Rui; Jiang, Xianxing","Highly diastereoselective oxa-[3+3] cyclization with C,N-cyclic azomethine imines via the copper-catalyzed aerobic oxygenated C[double bond, length as m-dash]C bond of indoles.","Chemical communications (Cambridge, England)","2018","54","19","2353","2356","10.1039/c7cc09640b","","x-ray","1.54184","CuKα","","0.0378","0.0353","","","0.0921","0.0953","","","","","","1.075","","","","has coordinates","228260","2020-10-21","18:00:00",""
"7121259","18.8904","0.0018","16.4256","0.0014","13.4978","0.0013","90","","106.813","0.0018","90","","4009.2","0.6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H62 N2 O6 W2 -","- C36 H62 N2 O6 W2 -","- C144 H248 N8 O24 W8 -","4","0.5","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Metathesis cleavage of an N[double bond, length as m-dash]N bond in benzo[c]cinnolines and azobenzenes by triply-bonded ditungsten complexes.","Chemical communications (Cambridge, England)","2018","54","30","3709","3711","10.1039/c7cc08570b","","","0.71075","MoKα","","0.0135","0.0122","","","0.0313","0.0315","","","","","","1.077","","","","has coordinates","228419","2020-10-21","18:00:00",""
"7121260","14.2203","0.0015","11.6883","0.0011","22.162","0.002","90","","98.946","0.003","90","","3638.8","0.6","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H80 F12 N12 O12 S4 W4 -","- C56 H80 F12 N12 O12 S4 W4 -","- C112 H160 F24 N24 O24 S8 W8 -","2","0.5","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Metathesis cleavage of an N[double bond, length as m-dash]N bond in benzo[c]cinnolines and azobenzenes by triply-bonded ditungsten complexes.","Chemical communications (Cambridge, England)","2018","54","30","3709","3711","10.1039/c7cc08570b","","","0.71075","MoKα","","0.0511","0.0356","","","0.093","0.1017","","","","","","1.018","","","","has coordinates","228419","2020-10-21","18:00:00",""
"7121261","8.4929","0.0013","9.8371","0.0016","39.949","0.006","90","","90","","90","","3337.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-((tert-butyldiphenylsilyl)oxy)-2-phenyl-1-tosyl-4-vinylpyrrolidine","","- C35 H39 N O3 S Si -","- C35 H39 N O3 S Si -","- C140 H156 N4 O12 S4 Si4 -","4","1","","Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang","Divergent synthesis of functionalized pyrrolidines and γ-amino ketones via rhodium-catalyzed switchable reactions of vinyl aziridines and silyl enol ethers.","Chemical communications (Cambridge, England)","2018","54","19","2401","2404","10.1039/c8cc00279g","","","0.71073","MoKα","","0.0882","0.047","","","0.0932","0.1086","","","","","","1.014","","","","has coordinates","228263","2020-10-21","18:00:00",""
"7121262","12.2348","0.0009","13.7713","0.001","21.3593","0.0015","74.8147","0.0009","78.2115","0.001","80.192","0.0009","3373.8","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 I N2 O5 S2 -","- C34 H35 I N2 O5 S2 -","- C136 H140 I4 N8 O20 S8 -","4","2","","Moriyama, Katsuhiko; Hamada, Tsukasa; Ishida, Kazuma; Togo, Hideo","1,3-Iodo-amination of 2-methyl indoles via C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>3</sup></sub> dual functionalization with iodine reagent.","Chemical communications (Cambridge, England)","2018","54","34","4258","4261","10.1039/c8cc00352a","","","0.71073","MoKα","","0.0541","0.0409","","","0.1113","0.1292","","","","","","1.044","","","","has coordinates","228585","2020-10-21","18:00:00",""
"7121263","11.244","0.003","10.311","0.003","24.381","0.007","90","","100.978","0.004","90","","2774.9","1.4","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 I N2 O5 S2 -","- C28 H29 I N2 O5 S2 -","- C112 H116 I4 N8 O20 S8 -","4","1","","Moriyama, Katsuhiko; Hamada, Tsukasa; Ishida, Kazuma; Togo, Hideo","1,3-Iodo-amination of 2-methyl indoles via C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>3</sup></sub> dual functionalization with iodine reagent.","Chemical communications (Cambridge, England)","2018","54","34","4258","4261","10.1039/c8cc00352a","","","0.71073","MoKα","","0.048","0.0402","","","0.1056","0.1102","","","","","","1.039","","","","has coordinates","228585","2020-10-21","18:00:00",""
"7121264","15.023","0.0015","12.3995","0.0012","17.7457","0.0017","90","","112.661","0.0012","90","","3050.4","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 N5 O8 S -","- C30 H35 N5 O8 S -","- C120 H140 N20 O32 S4 -","4","1","","Moriyama, Katsuhiko; Hamada, Tsukasa; Ishida, Kazuma; Togo, Hideo","1,3-Iodo-amination of 2-methyl indoles via C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>3</sup></sub> dual functionalization with iodine reagent.","Chemical communications (Cambridge, England)","2018","54","34","4258","4261","10.1039/c8cc00352a","","","0.71073","MoKα","","0.0825","0.0449","","","0.109","0.1286","","","","","","0.993","","","","has coordinates","228585","2020-10-21","18:00:00",""
"7121266","13.8363","0.0003","19.0251","0.0004","10.7855","0.0002","90","","97.886","0.002","90","","2812.29","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F12 -","- C58 H32 F12 -","- C116 H64 F24 -","2","0.5","","Jiang, Chuanling; Bang, Yawen; Wang, Xinhao; Lu, Xuefeng; Lim, Zhenglong; Wei, Haipeng; El-Hankari, Samir; Wu, Jishan; Zeng, Zebing","Tetrabenzo-Chichibabin's hydrocarbons: substituent effects and unusual thermochromic and thermomagnetic behaviours.","Chemical communications (Cambridge, England)","2018","54","19","2389","2392","10.1039/c8cc00378e","","","1.54178","CuKα","","0.1114","0.0818","","","0.2278","0.2551","","","","","","1.063","","","","has coordinates,has disorder","228259","2020-10-21","18:00:00",""
"7121267","10.826","0.002","11.158","0.003","12.125","0.003","89.92","0.005","87.592","0.004","72.944","0.004","1398.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H56 Cl4 O8 -","- C64 H56 Cl4 O8 -","- C64 H56 Cl4 O8 -","1","0.5","","Jiang, Chuanling; Bang, Yawen; Wang, Xinhao; Lu, Xuefeng; Lim, Zhenglong; Wei, Haipeng; El-Hankari, Samir; Wu, Jishan; Zeng, Zebing","Tetrabenzo-Chichibabin's hydrocarbons: substituent effects and unusual thermochromic and thermomagnetic behaviours.","Chemical communications (Cambridge, England)","2018","54","19","2389","2392","10.1039/c8cc00378e","","","0.71073","MoKα","","0.0785","0.0672","","","0.175","0.1831","","","","","","1.04","","","","has coordinates","228259","2020-10-21","18:00:00",""
"7121268","7.3362","0.0017","12.952","0.003","16.918","0.004","106.135","0.005","94.598","0.005","100.939","0.005","1501","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H64 Cl4 O12 -","- C68 H64 Cl4 O12 -","- C68 H64 Cl4 O12 -","1","0.5","","Jiang, Chuanling; Bang, Yawen; Wang, Xinhao; Lu, Xuefeng; Lim, Zhenglong; Wei, Haipeng; El-Hankari, Samir; Wu, Jishan; Zeng, Zebing","Tetrabenzo-Chichibabin's hydrocarbons: substituent effects and unusual thermochromic and thermomagnetic behaviours.","Chemical communications (Cambridge, England)","2018","54","19","2389","2392","10.1039/c8cc00378e","","","0.71073","MoKα","","0.0815","0.0623","","","0.1375","0.1462","","","","","","1.036","","","","has coordinates","228259","2020-10-21","18:00:00",""
"7121269","12.4719","0.0005","16.0534","0.0008","17.5659","0.0008","95.63","0.002","96.899","0.002","112.346","0.002","3189.5","0.3","130","2","130.02","","","","","","","","","3","P -1","-P 1","2","","","","- C69 H64 N4 -","- C69 H64 N4 -","- C138 H128 N8 -","2","1","","Jiang, Chuanling; Bang, Yawen; Wang, Xinhao; Lu, Xuefeng; Lim, Zhenglong; Wei, Haipeng; El-Hankari, Samir; Wu, Jishan; Zeng, Zebing","Tetrabenzo-Chichibabin's hydrocarbons: substituent effects and unusual thermochromic and thermomagnetic behaviours.","Chemical communications (Cambridge, England)","2018","54","19","2389","2392","10.1039/c8cc00378e","","","0.71073","MoKα","","0.1868","0.104","","","0.2689","0.3167","","","","","","1.074","","","","has coordinates","228259","2020-10-21","18:00:00",""
"7121270","16.618","0.005","9.329","0.003","8.15","0.003","90","","90.387","0.006","90","","1263.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-fluoro-3-iodo-2-nitro-1-(pyrimidin-2-yl)-1H-indole","","- C12 H6 F I N4 O2 -","- C12 H6 F I N4 O2 -","- C48 H24 F4 I4 N16 O8 -","4","1","","Tu, Daoquan; Luo, Jun; Jiang, Chao","Copper-mediated domino C-H iodination and nitration of indoles.","Chemical communications (Cambridge, England)","2018","54","20","2514","2517","10.1039/c8cc00267c","","","0.71073","MoKα","","0.0631","0.0484","","","0.1518","0.1665","","","","","","1.067","","","","has coordinates","228345","2020-10-21","18:00:00",""
"7121271","5.955","0.0014","18.08","0.004","18.63","0.004","90","","90","","90","","2005.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Wei, Liang; Zhu, Qiao; Song, Zhi-Min; Liu, Kang; Wang, Chun-Jiang","Catalytic asymmetric inverse electron demand Diels-Alder reaction of fulvenes with azoalkenes.","Chemical communications (Cambridge, England)","2018","54","20","2506","2509","10.1039/c7cc09896k","","","0.71073","MoKα","","0.0971","0.0438","","","0.087","0.1031","","","","","","1.016","","","","has coordinates","228350","2020-10-21","18:00:00",""
"7121272","10.285","0.0001","11.7366","0.0002","20.8637","0.0004","90.5","0.002","100.717","0.002","103.866","0.002","2398.69","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 B N6 O2 Te W -","- C18.952 H24.856 B N6 O2 Te0.9995 W -","- C75.808 H99.424 B4 N24 O8 Te3.998 W4 -","4","2","","Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab","Bis(alkylidynyl)tellurides and ditellurides","Chemical Communications (Cambridge, United Kingdom)","2018","54","14","1702","1705","10.1039/c7cc08776d","","","1.54184","CuKα","","0.0473","0.0456","","","0.1009","0.1017","","","","","","1.204","","","","has coordinates,has disorder","210834","2020-10-21","18:00:00",""
"7121273","10.4481","0.0012","7.0131","0.0008","13.7142","0.0016","90","","99.787","0.002","90","","990.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Yuan, Zaifeng; Li, Na; Zhu, Chunyu; Xia, Chengfeng","Copper-catalyzed synthesis of α-amino nitriles through methyl transfer from DMF to aromatic amines.","Chemical communications (Cambridge, England)","2018","54","23","2854","2857","10.1039/c8cc00485d","","","0.71073","MoKα","","0.0397","0.037","","","0.1014","0.1038","","","","","","1.094","","","","has coordinates","228450","2020-10-21","18:00:00",""
"7121274","7.4823","0.0003","13.0258","0.0006","21.7018","0.001","90","","90","","90","","2115.12","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chen, Song; Wu, Liang; Shao, Qihang; Yang, Guoqiang; Zhang, Wanbin","Pd(ii)-Catalyzed asymmetric 1,6-conjugate addition of arylboronic acids to Meldrum's acid-derived dienes.","Chemical communications (Cambridge, England)","2018","54","20","2522","2525","10.1039/c8cc00493e","","","1.54178","CuKα","","0.0296","0.0282","","","0.0707","0.0717","","","","","","1.09","","","","has coordinates","228351","2020-10-21","18:00:00",""
"7121275","15.2703","0.0006","15.9604","0.0006","16.2276","0.0004","81.48","0.003","83.595","0.003","67.656","0.004","3611.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H35 Cl N6 Ni O -","- C45 H35 Cl N6 Ni O -","- C180 H140 Cl4 N24 Ni4 O4 -","4","2","","Fu, Xinliang; Meng, Yankui; Li, Xiaofang; Stępień, Marcin; Chmielewski, Piotr J.","Extension of antiaromatic norcorrole by cycloaddition.","Chemical communications (Cambridge, England)","2018","54","20","2510","2513","10.1039/c8cc00447a","","","0.71073","MoKα","","0.1143","0.0578","","","0.1274","0.138","","","","","","0.971","","","","has coordinates","228346","2020-10-21","18:00:00",""
"7121276","11.0347","0.0003","13.6496","0.0004","17.0188","0.0006","90","","106.691","0.003","90","","2455.36","0.14","278","6","278","6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 B F2 N6 -","- C30 H21 B F2 N6 -","- C120 H84 B4 F8 N24 -","4","1","","Zhang, Huaxing; Chen, Xingyu; Lan, Jingbo; Liu, Yanhong; Zhou, Fulin; Wu, Di; You, Jingsong","Silver-mediated direct C-H amination of BODIPYs for screening endoplasmic reticulum-targeting reagents.","Chemical communications (Cambridge, England)","2018","54","26","3219","3222","10.1039/c8cc00238j","","x-ray","1.54184","CuKα","","0.0814","0.0749","","","0.1736","0.1832","","","","","","1.094","","","","has coordinates","228177","2020-10-21","18:00:00",""
"7121277","15.2429","0.0005","8.7432","0.0002","15.0494","0.0004","90","","115.235","0.003","90","","1814.25","0.1","294.24","0.1","294.24","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 B F2 N3 O -","- C20 H20 B F2 N3 O -","- C80 H80 B4 F8 N12 O4 -","4","1","","Zhang, Huaxing; Chen, Xingyu; Lan, Jingbo; Liu, Yanhong; Zhou, Fulin; Wu, Di; You, Jingsong","Silver-mediated direct C-H amination of BODIPYs for screening endoplasmic reticulum-targeting reagents.","Chemical communications (Cambridge, England)","2018","54","26","3219","3222","10.1039/c8cc00238j","","x-ray","1.54184","CuKα","","0.0857","0.0795","","","0.1858","0.1974","","","","","","1.078","","","","has coordinates","228177","2020-10-21","18:00:00",""
"7121278","18.6867","0.0007","10.6672","0.0004","15.862","0.0006","90","","93.817","0.001","90","","3154.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-Br","","- C27 H52 Br N3 Ni O0 P2 -","- C27 H52 Br N3 Ni P2 -","- C108 H208 Br4 N12 Ni4 P8 -","4","1","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.0428","0.0406","","","0.1026","0.1045","","","","","","1.016","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121279","18.4429","0.0004","10.992","0.0003","15.5534","0.0004","90","","93.613","0.001","90","","3146.79","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","complex-5","","- C28 H52 N4 Ni O0 P2 -","- C28 H52 N4 Ni P2 -","- C112 H208 N16 Ni4 P8 -","4","1","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.0538","0.0502","","","0.1294","0.1323","","","","","","1.026","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121280","17.9904","0.0008","11.7439","0.0005","14.8246","0.0006","90","","94.373","0.001","90","","3123","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex 2","","- C27 H52 N6 Ni P2 -","- C27 H52 N6 Ni P2 -","- C108 H208 N24 Ni4 P8 -","4","1","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.032","0.0319","","","0.0802","0.0803","","","","","","1.123","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121281","8.5405","0.0002","23.6154","0.0006","41.0704","0.001","90","","90.8","0.001","90","","8282.6","0.4","181","2","181","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","complex-3b","","- C39 H64 N5 Ni P2 -","- C39 H64 N5 Ni P2 -","- C312 H512 N40 Ni8 P16 -","8","2","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.107","0.0882","","","0.2501","0.2656","","","","","","1.028","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121282","10.089","0.0004","11.3946","0.0004","17.0248","0.0006","88.997","0.002","83.173","0.002","67.559","0.001","1795.31","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","complex-3a","","- C32 H61 N5 Ni P2 -","- C32 H61 N5 Ni P2 -","- C64 H122 N10 Ni2 P4 -","2","1","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.0547","0.0483","","","0.1229","0.1306","","","","","","1.043","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121283","18.2867","0.001","11.3201","0.0006","15.4141","0.0008","90","","94.71","0.001","90","","3180.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-I","","- C27 H52 I N3 Ni P2 -","- C27 H52 I N3 Ni P2 -","- C108 H208 I4 N12 Ni4 P8 -","4","1","","Yao, Changguang; Wang, Xiufang; Huang, Kuo-Wei","Nitrogen atom transfer mediated by a new PN<sup>3</sup>P-pincer nickel core via a putative nitrido nickel intermediate.","Chemical communications (Cambridge, England)","2018","54","32","3940","3943","10.1039/c7cc09804a","","","1.54178","CuKα","","0.0354","0.0354","","","0.1067","0.1068","","","","","","1.099","","","","has coordinates","228080","2020-10-21","18:00:00",""
"7121284","9.1087","0.0012","9.6236","0.0013","13.9209","0.0018","106.948","0.003","95.031","0.003","99.718","0.003","1138.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O4 -","- C24 H24 Br N O4 -","- C48 H48 Br2 N2 O8 -","2","1","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","0.71073","MoKα","","0.0859","0.0486","","","0.1117","0.1274","","","","","","1.022","","","","has coordinates","228449","2020-10-21","18:00:00",""
"7121285","17.5019","0.0005","8.4032","0.0003","12.4676","0.0004","90","","90","","90","","1833.63","0.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","1.54178","CuKα","","0.0485","0.0439","","","0.1117","0.1172","","","","","","1.052","","","","has coordinates,has disorder","228449","2020-10-21","18:00:00",""
"7121286","11.8749","0.0012","13.1162","0.0014","14.6639","0.0016","90","","106.809","0.002","90","","2186.4","0.4","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br N O4 -","- C24 H24 Br N O4 -","- C96 H96 Br4 N4 O16 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","0.71073","MoKα","","0.0961","0.0461","","","0.0957","0.112","","","","","","0.999","","","","has coordinates","228449","2020-10-21","18:00:00",""
"7121287","32.328","0.01","10.078","0.003","15.161","0.004","90","","109.44","0.008","90","","4658","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Br Cl N2 O2 -","- C28 H22 Br Cl N2 O2 -","- C224 H176 Br8 Cl8 N16 O16 -","8","1","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","0.71073","MoKα","","0.0684","0.0497","","","0.114","0.1239","","","","","","1.098","","","","has coordinates","228449","2020-10-21","18:00:00",""
"7121288","14.0718","0.0002","7.9328","0.0001","14.6162","0.0002","90","","92.868","0.001","90","","1629.54","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Cao, Bo; Wei, Yin; Shi, Min","An atmosphere and light tuned highly diastereoselective synthesis of cyclobuta/penta[b]indoles from aniline-tethered alkylidenecyclopropanes with alkynes.","Chemical communications (Cambridge, England)","2018","54","23","2870","2873","10.1039/c8cc00180d","","","1.54178","CuKα","","0.0726","0.0539","","","0.1152","0.128","","","","","","1.05","","","","has coordinates","228449","2020-10-21","18:00:00",""
"7121289","7.6192","0.0005","10.3601","0.0007","13.1271","0.0009","102.578","0.004","92.847","0.004","101.855","0.004","984.91","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","3-(4-fluorophenyl)-4-(4-(methylsulfonyl)phenyl)-5-(trimethylsilyl)isoxazole","","- C19 H20 F N O3 S Si -","- C19 H20 F N O3 S Si -","- C38 H40 F2 N2 O6 S2 Si2 -","2","1","","Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten","Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity.","MedChemComm","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.1649","0.0577","","","0.1078","0.1386","","","","","","0.947","","","","has coordinates","230145","2020-10-21","18:00:00",""
"7121290","9.705","0.006","9.854","0.006","11.726","0.008","65.43","0.03","68.51","0.03","76.92","0.02","945.3","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","4-(3-(4-fluorophenyl)-5-(trimethylsilyl)isoxazol-4-yl)benzenesulfonamide","","- C18 H19 F N2 O3 S Si -","- C18 H19 F N2 O3 S Si -","- C36 H38 F2 N4 O6 S2 Si2 -","2","1","","Roscales, Silvia; Bechmann, Nicole; Weiss, Daniel Holger; Köckerling, Martin; Pietzsch, Jens; Kniess, Torsten","Novel valdecoxib derivatives by ruthenium(ii)-promoted 1,3-dipolar cycloaddition of nitrile oxides with alkynes - synthesis and COX-2 inhibition activity.","MedChemComm","2018","9","3","534","544","10.1039/c7md00575j","","","0.71073","MoKα","","0.0803","0.0487","","","0.111","0.1273","","","","","","1.05","","","","has coordinates","230145","2020-10-21","18:00:00",""
"7121291","7.9761","0.0003","18.633","0.0006","15.9637","0.0004","90","","90.406","0.003","90","","2372.44","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I N2 O4 S -","- C20 N2 O S -","- C80 N8 O4 S4 -","4","1","","Wang, Kang-Nan; Chao, Xi-Juan; Liu, Bing; Zhou, Dan-Jie; He, Liang; Zheng, Xiao-Hui; Cao, Qian; Tan, Cai-Ping; Zhang, Chen; Mao, Zong-Wan","Red fluorescent probes for real-time imaging of the cell cycle by dynamic monitoring of the nucleolus and chromosome.","Chemical communications (Cambridge, England)","2018","54","21","2635","2638","10.1039/c8cc00256h","","","1.54184","CuKα","","0.0628","0.0583","","","0.1816","0.1853","","","","","","1.194","","","","has coordinates","228457","2020-10-21","18:00:00",""
"7121292","10.781","0.003","10.781","0.003","12.687","0.003","90","","90","","90","","1474.6","0.7","123","","123","","","","","","","","","3","I 41 m d","I 4bw -2","109","","","","- C20 H8 O6 -","- C20 H8 O6 -","- C80 H32 O24 -","4","0.25","","Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio","An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone.","Chemical communications (Cambridge, England)","2018","54","31","3815","3818","10.1039/c8cc00753e","","","0.71075","MoKα","","0.0293","0.0275","","","0.0727","0.0735","","","","","","1.134","","","","has coordinates","228424","2020-10-21","18:00:00",""
"7121293","11.6406","0.0019","11.6406","0.0019","8.6575","0.0014","90","","90","","120","","1016","0.3","123","","123","","","","","","","","","4","P 6/m","-P 6","175","","","","- C20 H8 O6 Rb3 -","- C20 H8 O6 Rb3 -","- C40 H16 O12 Rb6 -","2","0.166667","","Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio","An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone.","Chemical communications (Cambridge, England)","2018","54","31","3815","3818","10.1039/c8cc00753e","","","0.71075","MoKα","","0.0254","0.0249","","","0.0617","0.0621","","","","","","1.119","","","","has coordinates","228424","2020-10-21","18:00:00",""
"7121294","9.739","0.005","10.881","0.006","11.611","0.006","116.488","0.006","92.9867","0.0014","110.107","0.005","1002.8","0.9","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Li3 N O9 -","- C22 H17 Li3 N O9 -","- C44 H34 Li6 N2 O18 -","2","1","","Shuku, Yoshiaki; Mizuno, Asato; Ushiroguchi, Ryo; Hyun, Chang Seok; Ryu, Young Jun; An, Byeong-Kwan; Kwon, Ji Eon; Park, Soo Young; Tsuchiizu, Masahisa; Awaga, Kunio","An exotic band structure of a supramolecular honeycomb lattice formed by a pancake π-π interaction between triradical trianions of triptycene tribenzoquinone.","Chemical communications (Cambridge, England)","2018","54","31","3815","3818","10.1039/c8cc00753e","","","0.71075","MoKα","","0.0826","0.0527","","","0.1113","0.13","","","","","","1.074","","","","has coordinates","228424","2020-10-21","18:00:00",""
"7121295","7.656","0.002","9.85","0.003","18.33","0.005","90","","90","","90","","1382.3","0.7","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br Cl N3 -","- C14 H9 Br Cl N3 -","- C56 H36 Br4 Cl4 N12 -","4","1","","Kumar, Navaneet; Ansari, Mohd Yeshab; Kant, Ruchir; Kumar, Atul","Copper-catalyzed decarboxylative regioselective synthesis of 1,5-disubstituted 1,2,3-triazoles.","Chemical communications (Cambridge, England)","2018","54","21","2627","2630","10.1039/c7cc09934g","","","0.71075","MoKα","","0.0532","0.0367","","","0.0717","0.0768","","","","","","0.987","","","","has coordinates","228458","2020-10-21","18:00:00",""
"7121296","18.98","0.003","10.7749","0.0016","11.4258","0.0018","90","","93.315","0.009","90","","2332.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Br N O3 -","- C24 H32 Br N O3 -","- C96 H128 Br4 N4 O12 -","4","1","","Zubillaga, A.; Ferreira, P.; Parola, A. J.; Gago, S.; Basílio, N","pH-Gated photoresponsive shuttling in a water-soluble pseudorotaxane.","Chemical communications (Cambridge, England)","2018","54","22","2743","2746","10.1039/c8cc00688a","","x-ray","0.71073","MoKα","","0.1422","0.0545","","","0.1105","0.1288","","","","","","0.963","","","","has coordinates","228005","2020-10-21","18:00:00",""
"7121297","26.495","0.004","13.471","0.002","23.632","0.004","90","","91.092","0.003","90","","8433","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H98 Cl5 Gd5 Mn2 N4 O36 -","- C56 H98 Cl5 Gd5 Mn2 N4 O36 -","- C224 H392 Cl20 Gd20 Mn8 N16 O144 -","4","0.5","","Huang, Wei; Huang, Shuaidan; Zhang, Ming; Chen, Yancong; Zhuang, Gui-Lin; Li, Yao; Tong, Ming-Liang; Yong, Juan; Li, Yujie; Wu, Dayu","Multifunctional luminescent magnetic cryocooler in a Gd<sub>5</sub>Mn<sub>2</sub> pyramidal complex.","Chemical communications (Cambridge, England)","2018","54","33","4104","4107","10.1039/c8cc00433a","","","0.71073","MoKα","","0.0592","0.055","","","0.1493","0.1554","","","","","","1.081","","","","has coordinates","228122","2020-10-21","18:00:00",""
"7121298","12.2903","0.0016","16.666","0.002","19.138","0.002","72.79","0.002","80.54","0.002","74.886","0.002","3598.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H102 O72 P2 Zr12 -","- C86 H102 O72 P2 Zr12 -","- C86 H102 O72 P2 Zr12 -","1","0.5","","Bezrukov, Andrey A.; Törnroos, Karl W; Le Roux, Erwan; Dietzel, Pascal D. C.","Incorporation of an intact dimeric Zr<sub>12</sub> oxo cluster from a molecular precursor in a new zirconium metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","22","2735","2738","10.1039/c8cc00507a","","","0.71073","MoKα","","0.0705","0.047","","","0.1278","0.1389","","","","","","1.059","","","","has coordinates","228007","2020-10-21","18:00:00",""
"7121299","20.287","0.003","12.5914","0.0018","20.241","0.003","90","","100.188","0.002","90","","5088.9","1.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H100.97 O76.48 Zr12 -","- C58 H100.972 O76.486 Zr12 -","- C116 H201.944 O152.972 Zr24 -","2","0.5","","Bezrukov, Andrey A.; Törnroos, Karl W; Le Roux, Erwan; Dietzel, Pascal D. C.","Incorporation of an intact dimeric Zr<sub>12</sub> oxo cluster from a molecular precursor in a new zirconium metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","22","2735","2738","10.1039/c8cc00507a","","","0.71073","MoKα","","0.0487","0.0369","","","0.0995","0.1077","","","","","","1.048","","","","has coordinates,has disorder","228007","2020-10-21","18:00:00",""
"7121300","8.6468","0.0004","10.3139","0.0004","14.8549","0.001","90","","98.238","0.007","90","","1311.12","0.12","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H25 N3 O4 S -","- C30 H25 N3 O4 S -","- C60 H50 N6 O8 S2 -","2","1","","Nakamura, Shuichi; Furukawa, Takashi; Hatanaka, Tsubasa; Funahashi, Yasuhiro","Enantioselective aza-Friedel-Crafts reaction of cyclic ketimines with indoles using chiral imidazoline-phosphoric acid catalysts.","Chemical communications (Cambridge, England)","2018","54","31","3811","3814","10.1039/c8cc00594j","","","0.71075","MoKα","","0.0488","0.0436","","","0.0972","0.0993","","","","","","1.072","","","","has coordinates","228423","2020-10-21","18:00:00",""
"7121301","14.8431","0.0011","26.413","0.002","22.3504","0.0019","90","","93.09","0.006","90","","8749.8","1.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C173 H163 Cl8 F12 N4 O18 P10 Pd4 S2 -","- C173 H163 Cl8 F12 N4 O18 P10 Pd4 S2 -","- C346 H326 Cl16 F24 N8 O36 P20 Pd8 S4 -","2","0.5","","Frieiro-Gomis, Pablo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Ortigueira, Juan M.; Pereira, M. Teresa; Polo-Ces, Paula; Vázquez-García, Digna; Vila, José M","The chelate-to-bridging shift of phosphane dipalladacycles: convenient synthesis of double A-frame tetranuclear complexes.","Chemical communications (Cambridge, England)","2018","54","21","2662","2665","10.1039/c8cc01046c","","","0.71073","MoKα","","0.1533","0.0773","","","0.195","0.257","","","","","","0.992","","","","has coordinates","228459","2020-10-21","18:00:00",""
"7121302","16.4987","0.0006","16.5332","0.0006","17.1548","0.0005","82.897","0.002","71.882","0.002","75.24","0.002","4295.6","0.3","97","2","97","2","","","","","","","","8","P -1","-P 1","2","","","","- C176 H172 Cl2 F12 N4 O20 P10 Pd4 -","- C176 H172 Cl2 F12 N4 O20 P10 Pd4 -","- C176 H172 Cl2 F12 N4 O20 P10 Pd4 -","1","0.5","","Frieiro-Gomis, Pablo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Ortigueira, Juan M.; Pereira, M. Teresa; Polo-Ces, Paula; Vázquez-García, Digna; Vila, José M","The chelate-to-bridging shift of phosphane dipalladacycles: convenient synthesis of double A-frame tetranuclear complexes.","Chemical communications (Cambridge, England)","2018","54","21","2662","2665","10.1039/c8cc01046c","","","0.71073","MoKα","","0.0515","0.0442","","","0.1292","0.1339","","","","","","1.091","","","","has coordinates,has disorder","228459","2020-10-21","18:00:00",""
"7121303","16.498","0.0017","16.561","0.0016","17.1294","0.0019","83.263","0.007","71.977","0.007","75.228","0.007","4299.7","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H80 Br F6 N2 O8 P5 Pd2 -","- C85 H80 Br F6 N2 O8 P5 Pd2 -","- C170 H160 Br2 F12 N4 O16 P10 Pd4 -","2","1","","Frieiro-Gomis, Pablo; Lucio-Martínez, Fátima; Munín-Cruz, Paula; Ortigueira, Juan M.; Pereira, M. Teresa; Polo-Ces, Paula; Vázquez-García, Digna; Vila, José M","The chelate-to-bridging shift of phosphane dipalladacycles: convenient synthesis of double A-frame tetranuclear complexes.","Chemical communications (Cambridge, England)","2018","54","21","2662","2665","10.1039/c8cc01046c","","","0.71073","MoKα","","0.0547","0.0437","","","0.1252","0.1301","","","","","","1.265","","","","has coordinates","228459","2020-10-21","18:00:00",""
"7121304","5.8799","0.0002","29.0285","0.0009","9.8495","0.0003","90","","101.082","0.003","90","","1649.81","0.09","200","1","200","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H40 Br2 N2 O8 -","- C30 H40 Br2 N2 O8 -","- C60 H80 Br4 N4 O16 -","2","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R; Sanz-Marco, Amparo; Vila, Carlos","Enantioselective synthesis of chiral oxazolines from unactivated ketones and isocyanoacetate esters by synergistic silver/organocatalysis.","Chemical communications (Cambridge, England)","2018","54","23","2862","2865","10.1039/c8cc00856f","","","0.71073","MoKα","","0.1728","0.0673","","","0.0663","0.0929","","","","","","0.986","","","","has coordinates","228455","2020-10-21","18:00:00",""
"7121305","12.7953","0.0004","12.9297","0.0003","16.8382","0.0006","75.874","0.003","77.693","0.003","69.763","0.003","2509.21","0.14","150","0.2","150","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H76 As2 Sn -","- C55 H76 As2 Sn -","- C110 H152 As4 Sn2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","A diarsagermylene and a diarsastannylene stabilised by areneGe/Sn interactions.","Chemical communications (Cambridge, England)","2018","54","20","2526","2529","10.1039/c7cc09564c","","x-ray","0.71073","MoKα","","0.0582","0.0358","","","0.0694","0.0779","","","","","","1.025","","","","has coordinates,has disorder","228349","2020-10-21","18:00:00",""
"7121306","12.6717","0.0003","12.8423","0.0003","16.8971","0.0003","77.0882","0.0017","78.4162","0.0017","71.263","0.002","2513.24","0.1","190","0.2","190","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H76 As2 Ge -","- C55 H76 As2 Ge -","- C110 H152 As4 Ge2 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","A diarsagermylene and a diarsastannylene stabilised by areneGe/Sn interactions.","Chemical communications (Cambridge, England)","2018","54","20","2526","2529","10.1039/c7cc09564c","","x-ray","1.54184","CuKα","","0.0423","0.0366","","","0.0957","0.1008","","","","","","1.024","","","","has coordinates,has disorder","228349","2020-10-21","18:00:00",""
"7121307","11.4059","0.0002","17.5174","0.0003","19.381","0.0005","68.376","0.002","80.7734","0.0018","89.4407","0.0016","3548.12","0.14","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C72.01 H116.97 As2 Li2 O6 -","- C72.0096 H116.972 As2 Li2 O6.0024 -","- C144.019 H233.944 As4 Li4 O12.0048 -","2","1","","Izod, Keith; Evans, Peter; Waddell, Paul G.","A diarsagermylene and a diarsastannylene stabilised by areneGe/Sn interactions.","Chemical communications (Cambridge, England)","2018","54","20","2526","2529","10.1039/c7cc09564c","","","0.71073","MoKα","","0.0648","0.0401","","","0.084","0.093","","","","","","1.02","","","","has coordinates,has disorder","228349","2020-10-21","18:00:00",""
"7121308","9.911","0.0016","16.711","0.003","18.048","0.002","90","0.011","92.402","0.01","90","0.008","2986.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 Ni P2 S -","- C30 H50 Ni P2 S -","- C120 H200 Ni4 P8 S4 -","4","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.1856","0.095","","","0.1638","0.2047","","","","","","1.047","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121309","8.752","0.013","21.67","0.03","22.43","0.03","90","","90","","90","","4254","10","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H65 B Br Cl3 Ni O2 P2 S -","- C37.5 H62 B Br Cl3 Ni O2 P2 S -","- C150 H248 B4 Br4 Cl12 Ni4 O8 P8 S4 -","4","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.1337","0.0955","","","0.177","0.2013","","","","","","1.076","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121310","48.534","0.008","12.095","0.002","26.019","0.005","90","","110.276","0.004","90","","14327","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H104 Ni2 O2 P4 S2 -","- C76 H104 Ni2 O2 P4 S2 -","- C608 H832 Ni16 O16 P32 S16 -","8","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.146","0.0619","","","0.0973","0.1335","","","","","","1.122","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121311","23.717","0.006","11.746","0.002","16.282","0.004","90","","105.722","0.005","90","","4366.1","1.7","113","2","113","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 B Br Cl2 Ni O2 P2 S -","- C41 H61 B Br Cl2 Ni O2 P2 S -","- C164 H244 B4 Br4 Cl8 Ni4 O8 P8 S4 -","4","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.1724","0.0776","","","0.1297","0.166","","","","","","1.06","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121312","8.481","0.011","11.052","0.015","21.03","0.03","96.001","0.014","91.24","0.03","101.865","0.019","1917","5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 I Ni P2 S -","- C37 H59 I Ni P2 S -","- C74 H118 I2 Ni2 P4 S2 -","2","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.0775","0.0549","","","0.1183","0.138","","","","","","1.087","","","","has coordinates","228452","2020-10-21","18:00:00",""
"7121313","10.9627","0.0002","15.9681","0.0003","35.1062","0.0004","82.137","0.001","82.667","0.001","83.181","0.002","6005.73","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.98 H61.83 Ni P2 S Si -","- C38.977 H61.8247 Ni P2 S Si -","- C233.862 H370.948 Ni6 P12 S6 Si6 -","6","3","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","x-ray","1.54184","CuKα","","0.0838","0.0632","","","0.1585","0.1722","","","","","","1.01","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121314","12.354","0.009","16.268","0.011","20.938","0.014","75.82","0.02","88.78","0.03","78.187","0.016","3992","5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H55 I Ni P2 S -","- C35 H55 I Ni P2 S -","- C140 H220 I4 Ni4 P8 S4 -","4","2","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.1921","0.0882","","","0.1597","0.2153","","","","","","1.028","","","","has coordinates","228452","2020-10-21","18:00:00",""
"7121315","9.689","0.003","9.904","0.003","11.312","0.004","95.848","0.007","101.924","0.007","111.026","0.006","972.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N P Se -","- C24 H18 N P Se -","- C48 H36 N2 P2 Se2 -","2","1","","Jiang, He; Jia, Linlin; Li, Yuanyuan; Liu, Sirui; Chen, Runfeng; Jin, Lu; Jin, Jibiao; Zheng, Chao; Fan, Quli; Huang, Wei","Selenide-containing organic resonance molecules as turn-on fluorescent probes for the selective detection of hypochlorous acid.","Chemical communications (Cambridge, England)","2018","54","23","2926","2929","10.1039/c8cc01267a","","","0.71073","MoKα","","0.0407","0.0333","","","0.0809","0.0851","","","","","","1.061","","","","has coordinates","228454","2020-10-21","18:00:00",""
"7121316","11.612","0.003","17.433","0.005","12.594","0.003","90","","103.247","0.006","90","","2481.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N2 P Se -","- C30 H25 N2 P Se -","- C120 H100 N8 P4 Se4 -","4","1","","Jiang, He; Jia, Linlin; Li, Yuanyuan; Liu, Sirui; Chen, Runfeng; Jin, Lu; Jin, Jibiao; Zheng, Chao; Fan, Quli; Huang, Wei","Selenide-containing organic resonance molecules as turn-on fluorescent probes for the selective detection of hypochlorous acid.","Chemical communications (Cambridge, England)","2018","54","23","2926","2929","10.1039/c8cc01267a","","","0.71073","MoKα","","0.0674","0.0385","","","0.0903","0.1041","","","","","","1.02","","","","has coordinates","228454","2020-10-21","18:00:00",""
"7121317","9.5713","0.0014","11.6043","0.0017","12.0406","0.0017","72.019","0.003","68.768","0.003","73.861","0.003","1164.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H21 N2 P Se -","- C30 H21 N2 P Se -","- C60 H42 N4 P2 Se2 -","2","1","","Jiang, He; Jia, Linlin; Li, Yuanyuan; Liu, Sirui; Chen, Runfeng; Jin, Lu; Jin, Jibiao; Zheng, Chao; Fan, Quli; Huang, Wei","Selenide-containing organic resonance molecules as turn-on fluorescent probes for the selective detection of hypochlorous acid.","Chemical communications (Cambridge, England)","2018","54","23","2926","2929","10.1039/c8cc01267a","","","0.71073","MoKα","","0.0564","0.0446","","","0.1126","0.1259","","","","","","1.107","","","","has coordinates","228454","2020-10-21","18:00:00",""
"7121318","8.5072","0.0006","9.2974","0.0006","9.7885","0.0006","88.049","0.003","78.84","0.003","70.388","0.003","715.11","0.08","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C36 H46 N2 -","2","1","","Li, Rui-Qi; He, Yu; Ding, Yao; Ang, Chee-Kiat; Tian, Jie-Sheng; Loh, Teck-Peng","Formal synthesis of chelamidine alkaloids and their derivatives.","Chemical communications (Cambridge, England)","2018","54","25","3150","3153","10.1039/c7cc09875h","","","0.71073","MoKα","","0.0738","0.0507","","","0.119","0.1325","","","","","","1.026","","","","has coordinates","228296","2020-10-21","18:00:00",""
"7121319","10.716","0.003","18.53","0.004","13.213","0.003","90","","91.445","0.006","90","","2622.8","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 Br N5 O6 -","- C23 H29 Br N5 O6 -","- C92 H116 Br4 N20 O24 -","4","1","","Santhini, P. V.; Smrithy, A. S.; Irfana Jesin, C. P.; Varughese, Sunil; John, Jubi; Radhakrishnan, K. V.","Accessing highly functionalized cyclopentanoids via a cascade palladation approach: unprecedented benzylic C-H activation towards cyclopentenoindanes.","Chemical communications (Cambridge, England)","2018","54","24","2982","2985","10.1039/c7cc09521j","","","0.71073","MoKα","","0.056","0.0349","","","0.0865","0.0964","","","","","","0.937","","","","has coordinates","227996","2020-10-21","18:00:00",""
"7121320","13.677","0.009","17.67","0.012","10.71","0.007","90","","106.085","0.014","90","","2487","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N2 O6 -","- C24 H32 N2 O6 -","- C96 H128 N8 O24 -","4","1","","Santhini, P. V.; Smrithy, A. S.; Irfana Jesin, C. P.; Varughese, Sunil; John, Jubi; Radhakrishnan, K. V.","Accessing highly functionalized cyclopentanoids via a cascade palladation approach: unprecedented benzylic C-H activation towards cyclopentenoindanes.","Chemical communications (Cambridge, England)","2018","54","24","2982","2985","10.1039/c7cc09521j","","","0.71073","MoKα","","0.1041","0.0439","","","0.105","0.1219","","","","","","0.683","","","","has coordinates","227996","2020-10-21","18:00:00",""
"7121321","9.5816","0.0005","11.7784","0.0007","16.7485","0.0009","88.332","0.002","80.966","0.003","70.456","0.002","1758.61","0.17","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N2 P Sb -","- C36 H52 N2 P Sb -","- C72 H104 N4 P2 Sb2 -","2","1","","Balmer, Markus; Gottschling, Hannah; von Hänisch, Carsten","Phosphaalkene-substituted organo-group 15 compounds: synthesis and characterisation of (NHC)P-EtBu<sub>2</sub> (E = P, As, Sb and Bi).","Chemical communications (Cambridge, England)","2018","54","21","2659","2661","10.1039/c8cc00899j","","x-ray","0.71073","MoKα","","0.0353","0.0262","","","0.0515","0.0544","","","","","","1.058","","","","has coordinates,has disorder","228460","2020-10-21","18:00:00",""
"7121322","8.5219","0.0007","10.0762","0.0008","37.319","0.003","85.58","0.002","87.36","0.003","68.332","0.002","2968.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 Bi N2 P -","- C29 H44 Bi N2 P -","- C116 H176 Bi4 N8 P4 -","4","2","","Balmer, Markus; Gottschling, Hannah; von Hänisch, Carsten","Phosphaalkene-substituted organo-group 15 compounds: synthesis and characterisation of (NHC)P-EtBu<sub>2</sub> (E = P, As, Sb and Bi).","Chemical communications (Cambridge, England)","2018","54","21","2659","2661","10.1039/c8cc00899j","","x-ray","0.71073","MoKα","","0.065","0.0497","","","0.1003","0.1046","","","","","","1.142","","","","has coordinates","228460","2020-10-21","18:00:00",""
"7121323","9.7612","0.0004","24.4504","0.001","14.3595","0.0006","90","","94.6105","0.0015","90","","3416","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 N2 P2 -","- C29 H44 N2 P2 -","- C116 H176 N8 P8 -","4","1","","Balmer, Markus; Gottschling, Hannah; von Hänisch, Carsten","Phosphaalkene-substituted organo-group 15 compounds: synthesis and characterisation of (NHC)P-EtBu<sub>2</sub> (E = P, As, Sb and Bi).","Chemical communications (Cambridge, England)","2018","54","21","2659","2661","10.1039/c8cc00899j","","x-ray","0.71073","MoKα","","0.0419","0.0381","","","0.1042","0.1069","","","","","","1.056","","","","has coordinates,has disorder","228460","2020-10-21","18:00:00",""
"7121324","9.4313","0.0005","11.7613","0.0007","16.5108","0.0009","88.7","0.002","82.678","0.003","71.476","0.002","1722.09","0.17","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 As N2 P -","- C36 H52 As N2 P -","- C72 H104 As2 N4 P2 -","2","1","","Balmer, Markus; Gottschling, Hannah; von Hänisch, Carsten","Phosphaalkene-substituted organo-group 15 compounds: synthesis and characterisation of (NHC)P-EtBu<sub>2</sub> (E = P, As, Sb and Bi).","Chemical communications (Cambridge, England)","2018","54","21","2659","2661","10.1039/c8cc00899j","","x-ray","0.71073","MoKα","","0.0319","0.0273","","","0.0664","0.0688","","","","","","1.045","","","","has coordinates,has disorder","228460","2020-10-21","18:00:00",""
"7121325","37.426","0.004","8.0756","0.0008","23.616","0.003","90","","128.46","0.005","90","","5589.1","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1-Ni","","","- C22 H23 F12 N7 Ni P2 -","- C22 H23 F12 N7 Ni P2 -","- C176 H184 F96 N56 Ni8 P16 -","8","1","","Su, Xiaojun; McCardle, Kaitlin M.; Panetier, Julien A.; Jurss, Jonah W.","Electrocatalytic CO<sub>2</sub> reduction with nickel complexes supported by tunable bipyridyl-N-heterocyclic carbene donors: understanding redox-active macrocycles.","Chemical communications (Cambridge, England)","2018","54","27","3351","3354","10.1039/c8cc00266e","","","0.71073","MoKα","","0.044","0.0369","","","0.0861","0.0904","","","","","","1.045","","","","has coordinates","228039","2020-10-21","18:00:00",""
"7121326","13.978","0.009","12.184","0.008","13.374","0.009","90","","109.402","0.011","90","","2148","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3-Ni(ClO4)2","","","- C19 H16 Cl2 N6 Ni O8 -","- C19 H16 Cl2 N6 Ni O8 -","- C76 H64 Cl8 N24 Ni4 O32 -","4","0.5","","Su, Xiaojun; McCardle, Kaitlin M.; Panetier, Julien A.; Jurss, Jonah W.","Electrocatalytic CO<sub>2</sub> reduction with nickel complexes supported by tunable bipyridyl-N-heterocyclic carbene donors: understanding redox-active macrocycles.","Chemical communications (Cambridge, England)","2018","54","27","3351","3354","10.1039/c8cc00266e","","","0.71073","MoKα","","0.0571","0.0479","","","0.1298","0.1398","","","","","","1.059","","","","has coordinates","228039","2020-10-21","18:00:00",""
"7121327","9.9845","0.0002","12.1671","0.0003","12.4094","0.0003","69.474","0.001","70.998","0.001","83.804","0.001","1334.85","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","2-Ni","","","- C22 H21 F12 N7 Ni P2 -","- C22 H21 F12 N7 Ni P2 -","- C44 H42 F24 N14 Ni2 P4 -","2","1","","Su, Xiaojun; McCardle, Kaitlin M.; Panetier, Julien A.; Jurss, Jonah W.","Electrocatalytic CO<sub>2</sub> reduction with nickel complexes supported by tunable bipyridyl-N-heterocyclic carbene donors: understanding redox-active macrocycles.","Chemical communications (Cambridge, England)","2018","54","27","3351","3354","10.1039/c8cc00266e","","","0.71073","MoKα","","0.0251","0.0234","","","0.0561","0.057","","","","","","1.079","","","","has coordinates,has disorder","228039","2020-10-21","18:00:00",""
"7121328","9.389","0.003","12.021","0.004","17.402","0.006","90","","90","","90","","1964.1","1.1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.101","0.0471","","","0.1005","0.1234","","","","","","0.968","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121329","11.4001","0.0018","12.5665","0.0019","14.19","0.002","76.975","0.002","89.282","0.002","79.014","0.002","1943.3","0.5","296","2","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C19 H21 F N2 O3 S -","- C19 H21 F N2 O3 S -","- C76 H84 F4 N8 O12 S4 -","4","4","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1061","0.0526","","","0.1105","0.1366","","","","","","0.998","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121330","7.8609","0.0012","10.9333","0.0017","17.847","0.003","90","","90","","90","","1533.9","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1114","0.0506","","","0.098","0.1198","","","","","","0.985","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121331","11.0074","0.0004","11.0674","0.0004","15.1861","0.0006","90","","91.889","0.003","90","","1849.02","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","x-ray","0.71073","MoKα","","0.0528","0.0402","","","0.0951","0.1031","","","","","","1.04","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121332","9.546","0.018","8.931","0.017","12.96","0.02","90","","107.93","0.02","90","","1051","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O3 S -","- C20 H26 N2 O3 S -","- C40 H52 N4 O6 S2 -","2","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1332","0.0558","","","0.0925","0.1174","","","","","","1.003","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121333","11.1348","0.0002","11.1348","0.0002","16.3745","0.0005","90","","90","","90","","2030.17","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C21 H26 N2 O3 S -","- C21 H26 N2 O3 S -","- C84 H104 N8 O12 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","x-ray","0.71073","MoKα","","0.0511","0.0417","","","0.0774","0.0828","","","","","","1.053","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121334","9.531","0.002","8.5593","0.0018","4.1352","0.0009","90","","90.295","0.003","90","","337.34","0.12","273","2","273","2","","","","","","","","4","C 1 m 1","C -2y","8","4-bromobenzonitrile","4-bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Hand-twistable plastically deformable crystals of a rigid small organic molecule.","Chemical communications (Cambridge, England)","2018","54","24","2994","2997","10.1039/c8cc00775f","","","0.71073","MoKα","","0.0613","0.0596","","","0.1518","0.1534","","","","","","1.087","","","","has coordinates","227995","2020-10-21","18:00:00",""
"7121335","9.509","0.005","8.535","0.004","4.127","0.002","90","","90.311","0.005","90","","334.9","0.3","273","2","273","2","","","","","","","","4","C 1 m 1","C -2y","8","4-bromobenzonitirle","4-bromobenzonitirle","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Hand-twistable plastically deformable crystals of a rigid small organic molecule.","Chemical communications (Cambridge, England)","2018","54","24","2994","2997","10.1039/c8cc00775f","","","0.71073","MoKα","","0.0408","0.0404","","","0.101","0.1019","","","","","","1.029","","","","has coordinates","227995","2020-10-21","18:00:00",""
"7121336","47.432","0.007","47.432","0.007","13.658","0.003","90","","90","","120","","26611","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H45.5 N7.5 O11.5 Zn -","- C23 H17 N2 O7 Zn -","- C414 H306 N36 O126 Zn18 -","18","1","","Zhou, Yue; Yao, Shuo; Ma, Yali; Li, Guanghua; Huo, Qisheng; Liu, Yunling","An anionic single-walled metal-organic nanotube with an armchair (3,3) topology as an extremely smart adsorbent for the effective and selective adsorption of cationic carcinogenic dyes.","Chemical communications (Cambridge, England)","2018","54","24","3006","3009","10.1039/c8cc00542g","","","0.71073","MoKα","","0.1215","0.0661","","","0.1745","0.1925","","","","","","0.93","","","","has coordinates,has disorder","227997","2020-10-21","18:00:00",""
"7121337","21.8599","0.0003","21.8599","0.0003","30.9566","0.0002","90","","90","","120","","12810.9","0.3","200","0.1","200","0.1","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C15 H14 Cu In0.5 N3 O6.67 -","- C15 H14 Cu In0.5 N3 O6.66667 -","- C180 H168 Cu12 In6 N36 O80 -","12","0.5","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.1016","0.0758","","","0.2052","0.2486","","","","","","1.052","","","","has coordinates","206679","2020-10-21","18:00:00",""
"7121338","8.7349","0.0001","13.3687","0.0002","15.7886","0.0002","90","","104.319","0.002","90","","1786.43","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H46 Cu2 N6 O14 -","- C32 H46 Cu2 N6 O14 -","- C64 H92 Cu4 N12 O28 -","2","1","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.0408","0.0401","","","0.1089","0.1095","","","","","","1.037","","","","has coordinates","206679","2020-10-21","18:00:00",""
"7121339","8.7038","0.0001","13.4115","0.0002","15.6432","0.0002","90","","103.055","0.002","90","","1778.85","0.04","99.9","0.5","99.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cu2 N6 O14 -","- C32 H38 Cu2 N6 O14 -","- C64 H76 Cu4 N12 O28 -","2","0.5","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.0383","0.0342","","","0.0838","0.0862","","","","","","1.046","","","","has coordinates,has disorder","206679","2020-10-21","18:00:00",""
"7121340","23.0639","0.0003","23.0639","0.0003","30.1054","0.0003","90","","90","","120","","13868.9","0.3","290","2","290","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C90 H84 Cu6 In3 N12 O22 -","- C90 H84 Cu6 In3 N12 O22 -","- C180 H168 Cu12 In6 N24 O44 -","2","0.166667","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54178","CuKα","","0.0693","0.0597","","","0.1815","0.1957","","","","","","1.04","","","","has coordinates,has disorder","206679","2020-10-21","18:00:00",""
"7121341","22.8847","0.0005","22.8847","0.0005","30.1026","0.0006","90","","90","","120","","13652.9","0.5","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C15 H14 Cu In0.5 N3 O6.67 -","- C15 H14 Cu In0.5 N3 O6.66667 -","- C180 H168 Cu12 In6 N36 O80 -","12","0.5","","Zhou, Mi; Ju, Zhanfeng; Yuan, Daqiang","A new metal-organic framework constructed from cationic nodes and cationic linkers for highly efficient anion exchange","Chemical Communications","2018","","","","","10.1039/C8CC01225C","","","1.54184","CuKα","","0.0712","0.0604","","","0.178","0.1948","","","","","","1.037","","","","has coordinates","206679","2020-10-21","18:00:00",""
"7121342","7.4875","0.0011","15.363","0.002","13.1787","0.0019","90","","93.153","0.002","90","","1513.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N4 O3 Pt -","- C13 H15 Cl N4 O3 Pt -","- C52 H60 Cl4 N16 O12 Pt4 -","4","1","","Zhou, Wen; Almeqdadi, Mohammad; Xifaras, Michael E.; Riddell, Imogen A.; Yilmaz, Ömer H; Lippard, Stephen J.","The effect of geometric isomerism on the anticancer activity of the monofunctional platinum complex trans-[Pt(NH<sub>3</sub>)<sub>2</sub>(phenanthridine)Cl]NO<sub>3</sub>.","Chemical communications (Cambridge, England)","2018","54","22","2788","2791","10.1039/c8cc00393a","","","0.71073","MoKα","","0.0235","0.0189","","","0.0398","0.0415","","","","","","1.046","","","","has coordinates","228006","2020-10-21","18:00:00",""
"7121343","7.8523","0.0005","9.176","0.0008","10.4482","0.0008","90.106","0.004","92.683","0.004","94.315","0.004","749.85","0.1","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C2.12 H1.75 N0.12 O0.25 S0.12 -","- C17 H14 N O2 S -","- C34 H28 N2 O4 S2 -","2","1","","Sun, Jianfeng; Li, Peng; Guo, Lei; Yu, Fang; He, Yu-Peng; Chu, Lingling","Catalytic, metal-free sulfonylcyanation of alkenes via visible light organophotoredox catalysis.","Chemical communications (Cambridge, England)","2018","54","25","3162","3165","10.1039/c8cc00547h","","","0.71073","MoKα","","0.0779","0.0523","","","0.138","0.1524","","","","","","1.058","","","","has coordinates","228298","2020-10-21","18:00:00",""
"7121344","19.4749","0.0019","10.8598","0.0008","8.3747","0.0005","90","","97.699","0.008","90","","1755.2","0.2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Zhang, Xi; Wang, Tong-Lin; Huo, Cong-De; Wang, Xi-Cun; Quan, Zheng-Jun","Base-controlled chemoselectivity reaction of vinylanilines with isothiocyanates for synthesis of quinolino-2-thione and 2-aminoquinoline derivatives.","Chemical communications (Cambridge, England)","2018","54","25","3114","3117","10.1039/c8cc00062j","","x-ray","1.54184","CuKα","","0.0599","0.0459","","","0.1081","0.1196","","","","","","1.056","","","","has coordinates","228297","2020-10-21","18:00:00",""
"7121345","6.1886","0.0006","14.4194","0.0015","25.629","0.003","90","","93.506","0.01","90","","2282.7","0.4","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F12 N6 O P2 -","- C15 H18 F12 N6 O P2 -","- C60 H72 F48 N24 O4 P8 -","4","1","","Zheng, Xujun; Zhang, Yang; Wu, Guangcheng; Liu, Ji-Ren; Cao, Ning; Wang, Lei; Wang, Yan; Li, Xiaopeng; Hong, Xin; Yang, Chuluo; Li, Hao","Temperature-dependent self-assembly of a purely organic cage in water.","Chemical communications (Cambridge, England)","2018","54","25","3138","3141","10.1039/c8cc01085d","","","0.71073","MoKα","","0.134","0.0876","","","0.2505","0.2955","","","","","","1.061","","","","has coordinates","228300","2020-10-21","18:00:00",""
"7121346","9.9397","0.0016","12.0611","0.0019","21.14","0.003","90","","90","","90","","2534.3","0.7","150","2","150.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 B F4 N2 -","- C32 H23 B F4 N2 -","- C128 H92 B4 F16 N8 -","4","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.0836","0.0445","","","0.0725","0.0827","","","","","","0.989","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121347","8.449","0.0006","17.2112","0.0009","19.6802","0.0011","90","","91.062","0.003","90","","2861.4","0.3","150","2","149.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 F3 N2 O3 S -","- C34 H25 F3 N2 O3 S -","- C136 H100 F12 N8 O12 S4 -","4","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.1308","0.0606","","","0.1262","0.1525","","","","","","1.004","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121348","13.2204","0.0015","10.9447","0.0012","17.0214","0.0018","90","","112.336","0.003","90","","2278.1","0.4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N2 -","- C32 H22 N2 -","- C128 H88 N8 -","4","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.074","0.0527","","","0.1302","0.1448","","","","","","1.017","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121349","10.605","0.0013","10.724","0.0012","18.967","0.002","89.741","0.004","87.191","0.004","87.511","0.004","2152.4","0.4","150","2","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C23.5 H20 B0.5 Cl2 F2 N P0.5 -","- C23.5 H20 B0.5 Cl2 F2 N P0.5 -","- C94 H80 B2 Cl8 F8 N4 P2 -","4","2","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.0808","0.0492","","","0.1143","0.1326","","","","","","1.012","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121350","10.132","0.0016","11.6757","0.0018","15.355","0.002","85.26","0.004","78.703","0.004","68.857","0.005","1661.2","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C37.5 H31 Cl3 Ga N2 -","- C37.5 H31 Cl3 Ga N2 -","- C75 H62 Cl6 Ga2 N4 -","2","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.058","0.0367","","","0.0874","0.0966","","","","","","1.027","","","","has coordinates,has disorder","228504","2020-10-21","18:00:00",""
"7121351","16.697","0.004","9.825","0.002","16.948","0.004","90","","91.627","0.008","90","","2779.2","1.1","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O -","- C39 H27 N3 O -","- C156 H108 N12 O4 -","4","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.0783","0.044","","","0.0879","0.0994","","","","","","1.012","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121352","12.17572","0.00019","12.5686","0.0002","12.97302","0.00016","97.9685","0.0012","95.6471","0.0011","101.103","0.0014","1913.26","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 Ir N4 O2.5 S3 -","- C39 H40 Ir N4 O2.5 S3 -","- C78 H80 Ir2 N8 O5 S6 -","2","1","","Wang, Yi; Huang, Huaiyi; Chen, Ge; Chen, Haijie; Xu, Tingting; Tang, Qian; Zhu, Hailiang; Zhang, Qianling; Zhang, Pingyu","A novel iridium(iii) complex for sensitive HSA phosphorescence staining in proteome research.","Chemical communications (Cambridge, England)","2018","54","26","3282","3285","10.1039/c8cc01597j","","x-ray","0.71073","MoKα","","0.0475","0.0384","","","0.0976","0.1021","","","","","","1.103","","","","has coordinates,has disorder","228176","2020-10-21","18:00:00",""
"7121353","16.138","0.005","16.138","0.005","11.833","0.003","90","","90","","120","","2668.9","1.4","147","2","147","2","","","","","","","","6","P 32","P 32","145","","","","- C36 H50 N2 Na O10 Sc -","- C36 H50 N2 Na O10 Sc -","- C108 H150 N6 Na3 O30 Sc3 -","3","1","","Seo, Min-Seob; Jang, Sumin; Kim, Hyunwoo","A chiral aluminum solvating agent (CASA) for <sup>1</sup>H NMR chiral analysis of alcohols at low temperature.","Chemical communications (Cambridge, England)","2018","54","50","6804","6807","10.1039/C8CC00574E","","","0.71073","MoKα","","0.027","0.0268","","","0.0802","0.0803","","","","","","1.084","","","","has coordinates","228302","2020-10-21","18:00:00",""
"7121354","9.5176","0.0007","9.6204","0.0007","10.3715","0.0007","107.538","0.002","97.061","0.002","108.815","0.002","831.24","0.1","150","2","150","2","","","","","","","9-chloromethylanthracene","4","P -1","-P 1","2","","9-diethylphosphonomethylanthracene","","- C19 H21 O3 P -","- C19 H21 O3 P -","- C38 H42 O6 P2 -","2","1","","Huang, Xin-Da; Kurmoo, Mohamedally; Bao, Song-Song; Fan, Kun; Xu, Yan; Hu, Zhao-Bo; Zheng, Li-Min","Coupling photo-, mechano- and thermochromism and single-ion-magnetism of two mononuclear dysprosium-anthracene-phosphonate complexes.","Chemical communications (Cambridge, England)","2018","54","26","3278","3281","10.1039/c8cc00220g","","","0.71073","MoKα","","0.0566","0.0462","","","0.1213","0.1276","","","","","","1.048","","","","has coordinates","228178","2020-10-21","18:00:00",""
"7121355","11.5466","0.0004","13.1727","0.0005","21.0251","0.0008","73.298","0.001","88.041","0.001","71.072","0.001","2891.22","0.19","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 Dy N3 O18 P3 -","- C57 H63 Dy N3 O18 P3 -","- C114 H126 Dy2 N6 O36 P6 -","2","1","","Huang, Xin-Da; Kurmoo, Mohamedally; Bao, Song-Song; Fan, Kun; Xu, Yan; Hu, Zhao-Bo; Zheng, Li-Min","Coupling photo-, mechano- and thermochromism and single-ion-magnetism of two mononuclear dysprosium-anthracene-phosphonate complexes.","Chemical communications (Cambridge, England)","2018","54","26","3278","3281","10.1039/c8cc00220g","","","0.71073","MoKα","","0.0432","0.0355","","","0.078","0.081","","","","","","1.053","","","","has coordinates","228178","2020-10-21","18:00:00",""
"7121356","14.0108","0.0012","14.1397","0.0012","20.1153","0.0017","77.771","0.001","88.694","0.001","89.553","0.001","3893.6","0.6","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H84 Dy F3 N2 O21 P4 S -","- C77 H84 Dy F3 N2 O21 P4 S -","- C154 H168 Dy2 F6 N4 O42 P8 S2 -","2","1","","Huang, Xin-Da; Kurmoo, Mohamedally; Bao, Song-Song; Fan, Kun; Xu, Yan; Hu, Zhao-Bo; Zheng, Li-Min","Coupling photo-, mechano- and thermochromism and single-ion-magnetism of two mononuclear dysprosium-anthracene-phosphonate complexes.","Chemical communications (Cambridge, England)","2018","54","26","3278","3281","10.1039/c8cc00220g","","","0.71073","MoKα","","0.0754","0.0604","","","0.1527","0.1635","","","","","","1.032","","","","has coordinates,has disorder","228178","2020-10-21","18:00:00",""
"7121357","9.9154","0.0012","10.0178","0.0012","10.4437","0.0012","92.162","0.005","104.822","0.005","105.321","0.004","961","0.2","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.","Chemical communications (Cambridge, England)","2018","54","27","3359","3362","10.1039/c8cc00386f","","","0.71073","MoKα","","0.0383","0.0351","","","0.0914","0.0958","","","","","","1.098","","","","has coordinates","228040","2020-10-21","18:00:00",""
"7121358","14.703","0.0017","8.1421","0.001","17.264","0.002","90","","101.638","0.002","90","","2024.2","0.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.","Chemical communications (Cambridge, England)","2018","54","27","3359","3362","10.1039/c8cc00386f","","","0.71073","MoKα","","0.0615","0.0457","","","0.1126","0.127","","","","","","0.961","","","","has coordinates","228040","2020-10-21","18:00:00",""
"7121359","11.1208","0.0005","22.2219","0.0011","16.4054","0.0009","90","","108.564","0.002","90","","3843.2","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C105 H92 O2 -","- C105 H92 O2 -","- C210 H184 O4 -","2","0.5","","Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.","Chemical communications (Cambridge, England)","2018","54","27","3359","3362","10.1039/c8cc00386f","","","1.54178","CuKα","","0.0911","0.0806","","","0.1836","0.1914","","","","","","1.094","","","","has coordinates,has disorder","228040","2020-10-21","18:00:00",""
"7121360","11.3561","0.001","27.561","0.003","31.571","0.003","90","","90","","90","","9881.3","1.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C109 H93 Cl15 -","- C109 H93 Cl15 -","- C436 H372 Cl60 -","4","1","","Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.","Chemical communications (Cambridge, England)","2018","54","27","3359","3362","10.1039/c8cc00386f","","","1.54178","CuKα","","0.113","0.1095","","","0.3178","0.3233","","","","","","1.588","","","","has coordinates","228040","2020-10-21","18:00:00",""
"7121361","17.966","0.004","13.056","0.003","11.101","0.003","90","","106.658","0.004","90","","2494.6","1","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N O3 P S -","- C28 H24 N O3 P S -","- C112 H96 N4 O12 P4 S4 -","4","1","","Wang, Bao-Cheng; Wang, Ya-Ni; Zhang, Mao-Mao; Xiao, Wen-Jing; Lu, Liang-Qiu","Copper-catalyzed decarboxylative cyclization via tandem C-P and C-N bond formation: access to 2-phosphorylmethyl indoles.","Chemical communications (Cambridge, England)","2018","54","25","3154","3157","10.1039/c8cc00739j","","","0.71073","MoKα","","0.1531","0.0609","","","0.1354","0.1717","","","","","","0.93","","","","has coordinates","228299","2020-10-21","18:00:00",""
"7121362","13.5703","0.0006","13.88","0.0006","11.6405","0.0005","90","","95.129","0.001","90","","2183.78","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Anthracenyldirheniumoctacarbonylhydride","","- C22 H10 O8 Re2 -","- C22 H10 O8 Re2 -","- C88 H40 O32 Re8 -","4","1","","Adams, Richard D.; Dhull, Poonam; Tedder, Jonathan D.","Multiple aromatic C-H bond activations by a dirhenium carbonyl complex.","Chemical communications (Cambridge, England)","2018","54","26","3255","3257","10.1039/c7cc08556g","","","0.71073","MoKα","","0.0393","0.0233","","","0.0385","0.0421","","","","","","1.056","","","","has coordinates","228173","2020-10-21","18:00:00",""
"7121363","9.3222","0.0004","17.8131","0.0008","21.1743","0.0009","90","","101.801","0.001","90","","3441.8","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","anthrceneyl bis(dirheniumoctacarbonylhydride)","","- C30 H10 O16 Re4 -","- C30 H10 O16 Re4 -","- C120 H40 O64 Re16 -","4","1","","Adams, Richard D.; Dhull, Poonam; Tedder, Jonathan D.","Multiple aromatic C-H bond activations by a dirhenium carbonyl complex.","Chemical communications (Cambridge, England)","2018","54","26","3255","3257","10.1039/c7cc08556g","","","0.71073","MoKα","","0.0441","0.0373","","","0.0931","0.0985","","","","","","1.052","","","","has coordinates","228173","2020-10-21","18:00:00",""
"7121364","8.8829","0.0003","11.4074","0.0004","15.4729","0.0005","86.52","0.001","80.18","0.001","67.418","0.001","1426.44","0.08","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H6 O16 Re4 -","- C22 H6 O16 Re4 -","- C44 H12 O32 Re8 -","2","1","","Adams, Richard D.; Dhull, Poonam; Tedder, Jonathan D.","Multiple aromatic C-H bond activations by a dirhenium carbonyl complex.","Chemical communications (Cambridge, England)","2018","54","26","3255","3257","10.1039/c7cc08556g","","","0.71073","MoKα","","0.0295","0.0211","","","0.0422","0.0444","","","","","","1.112","","","","has coordinates","228173","2020-10-21","18:00:00",""
"7121365","10.7455","0.0009","10.8723","0.0009","13.5836","0.0012","90","","109.542","0.004","90","","1495.5","0.2","153","2","153","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C28 H48 N2 O2 P2 Se2 -","- C28 H48 N2 O2 P2 Se2 -","- C56 H96 N4 O4 P4 Se4 -","2","0.5","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.1358","0.0924","","","0.2277","0.2428","","","","","","1.164","","","","has coordinates,has disorder","228314","2020-10-21","18:00:00",""
"7121366","15.8615","0.0011","6.9081","0.0005","26.3622","0.0017","90","","94.36","0.002","90","","2880.2","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 N2 O2 P2 S2 -","- C28 H48 N2 O2 P2 S2 -","- C112 H192 N8 O8 P8 S8 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.062","0.0478","","","0.116","0.1263","","","","","","1.027","","","","has coordinates","228314","2020-10-21","18:00:00",""
"7121367","21.6603","0.0006","9.797","0.0003","13.9906","0.0003","90","","90","","90","","2968.89","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H36 N6 O2 P2 Se2 -","- C24 H36 N6 O2 P2 Se2 -","- C96 H144 N24 O8 P8 Se8 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0599","0.0367","","","0.0619","0.0693","","","","","","1.015","","","","has coordinates","228314","2020-10-21","18:00:00",""
"7121368","9.1079","0.0007","11.4296","0.0008","19.8336","0.0015","75.8067","0.0018","87.554","0.002","72.0615","0.0019","1903.1","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H52 Cl N7 O P2 S2 -","- C32 H52 Cl N7 O P2 S2 -","- C64 H104 Cl2 N14 O2 P4 S4 -","2","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0691","0.0456","","","0.1145","0.1319","","","","","","1.078","","","","has coordinates,has disorder","228314","2020-10-21","18:00:00",""
"7121369","16.0802","0.0006","7.0317","0.0002","26.2586","0.0009","90","","94.34","0.002","90","","2960.58","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 N4 P2 Se2 -","- C28 H50 N4 P2 Se2 -","- C112 H200 N16 P8 Se8 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0701","0.0388","","","0.0706","0.079","","","","","","1.006","","","","has coordinates","228314","2020-10-21","18:00:00",""
"7121370","24.3568","0.0006","9.8974","0.0002","28.2283","0.0006","90","","90","","90","","6805","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H112 N8 O2 P4 S4 -","- C64 H112 N8 O2 P4 S4 -","- C256 H448 N32 O8 P16 S16 -","4","1","","Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe","Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.","Chemical communications (Cambridge, England)","2018","54","50","6800","6803","10.1039/c8cc01043a","","","0.71073","MoKα","","0.0673","0.0547","","","0.1248","0.1317","","","","","","1.081","","","","has coordinates,has disorder","228314","2020-10-21","18:00:00",""
"7121371","6.849","0.002","12.673","0.004","13.419","0.004","78.619","0.013","86.759","0.015","86.386","0.017","1138.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Br4 N2 O4 Zn2 -","- C16 H16 Br4 N2 O4 Zn2 -","- C32 H32 Br8 N4 O8 Zn4 -","2","1","","Guo, Pei-Yu; Sun, Cai; Zhang, Ning-Ning; Cai, Li-Zhen; Wang, Ming-Sheng; Guo, Guo-Cong","An inorganic-organic hybrid photochromic material with fast response to hard and soft X-rays at room temperature.","Chemical communications (Cambridge, England)","2018","54","36","4525","4528","10.1039/c8cc00694f","","","0.71073","MoKα","","0.1114","0.069","","","0.1985","0.2067","","","","","","0.995","","","","has coordinates","228490","2020-10-21","18:00:00",""
"7121372","19.1189","0.0018","12.7404","0.0013","19.211","0.002","90","","90.219","0.004","90","","4679.4","0.8","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 B2 Li2 N2 O2 -","- C48 H80 B2 Li2 N2 O2 -","- C192 H320 B8 Li8 N8 O8 -","4","1","","Arrowsmith, Merle; Mattock, James D.; Böhnke, Julian; Krummenacher, Ivo; Vargas, Alfredo; Braunschweig, Holger","Direct access to a cAAC-supported dihydrodiborene and its dianion.","Chemical communications (Cambridge, England)","2018","54","37","4669","4672","10.1039/c8cc01580e","","","0.71073","MoKα","","0.1041","0.071","","","0.1691","0.187","","","","","","1.077","","","","has coordinates,has disorder","228035","2020-10-21","18:00:00",""
"7121373","13.1241","0.0008","14.4945","0.0008","17.6107","0.001","98.287","0.002","92.396","0.002","109.232","0.002","3115.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H88 B Cl K N O6 -","- C68 H88 B Cl K N O6 -","- C136 H176 B2 Cl2 K2 N2 O12 -","2","1","","Arrowsmith, Merle; Mattock, James D.; Böhnke, Julian; Krummenacher, Ivo; Vargas, Alfredo; Braunschweig, Holger","Direct access to a cAAC-supported dihydrodiborene and its dianion.","Chemical communications (Cambridge, England)","2018","54","37","4669","4672","10.1039/c8cc01580e","","","0.71073","MoKα","","0.1828","0.0881","","","0.2217","0.2912","","","","","","1.044","","","","has coordinates,has disorder","228035","2020-10-21","18:00:00",""
"7121374","9.5378","0.0018","17.709","0.003","12.56","0.002","90","","100.556","0.004","90","","2085.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B Br2 N -","- C20 H32 B Br2 N -","- C80 H128 B4 Br8 N4 -","4","1","","Arrowsmith, Merle; Mattock, James D.; Böhnke, Julian; Krummenacher, Ivo; Vargas, Alfredo; Braunschweig, Holger","Direct access to a cAAC-supported dihydrodiborene and its dianion.","Chemical communications (Cambridge, England)","2018","54","37","4669","4672","10.1039/c8cc01580e","","","0.71073","MoKα","","0.0518","0.0303","","","0.0527","0.0577","","","","","","1.027","","","","has coordinates","228035","2020-10-21","18:00:00",""
"7121375","14.7415","0.0008","20.0443","0.0013","22.6574","0.0015","112.102","0.002","90.824","0.002","110.44","0.002","5729.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H112 B2 Cl2 K2 N2 O12 -","- C80 H112 B2 Cl2 K2 N2 O12 -","- C160 H224 B4 Cl4 K4 N4 O24 -","2","1","","Arrowsmith, Merle; Mattock, James D.; Böhnke, Julian; Krummenacher, Ivo; Vargas, Alfredo; Braunschweig, Holger","Direct access to a cAAC-supported dihydrodiborene and its dianion.","Chemical communications (Cambridge, England)","2018","54","37","4669","4672","10.1039/c8cc01580e","","","0.71073","MoKα","","0.1347","0.0789","","","0.1923","0.2241","","","","","","1.025","","","","has coordinates","228035","2020-10-21","18:00:00",""
"7121376","7.31147","0.00016","13.7958","0.0004","19.1823","0.0005","90","","90","","90","","1934.87","0.09","295","0.7","295","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl O4 -","- C22 H19 Cl O4 -","- C88 H76 Cl4 O16 -","4","1","","Yao, Qian; Yu, Han; Zhang, Hang; Dong, Shunxi; Chang, Fenzhen; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Lewis acid catalyzed asymmetric [4+2] cycloaddition of cyclobutenones to synthesize α,β-unsaturated δ-lactones.","Chemical communications (Cambridge, England)","2018","54","27","3375","3378","10.1039/C8CC01040D","","x-ray","1.54184","CuKα","","0.0625","0.0587","","","0.1513","0.1587","","","","","","1.055","","","","has coordinates","228042","2020-10-21","18:00:00",""
"7121377","11.4311","0.0011","7.5161","0.0006","17.3831","0.0016","90","","101.691","0.003","90","","1462.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","8Cl","","","- C18 H13 B Cl N -","- C18 H13 B Cl N -","- C72 H52 B4 Cl4 N4 -","4","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.1081","0.0481","","","0.0884","0.1053","","","","","","1.046","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121378","8.3238","0.0012","9.5871","0.0014","11.8893","0.0015","83.315","0.004","81.252","0.004","76.743","0.005","909.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","9Ph","","","- C24 H18 B N3 -","- C24 H18 B N3 -","- C48 H36 B2 N6 -","2","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.0929","0.064","","","0.1861","0.2044","","","","","","1.153","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121379","26.7935","0.0017","26.7935","0.0017","9.9207","0.0013","90","","90","","90","","7122","1.1","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","8Ph","","","- C24 H18 B N -","- C24 H18 B N -","- C384 H288 B16 N16 -","16","","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.1635","0.0836","","","0.1689","0.2014","","","","","","1.076","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121380","13.679","0.0015","12.5898","0.0013","10.2613","0.001","90","","97.732","0.003","90","","1751.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","10Cl","","","- C22 H23 B Cl N -","- C22 H23 B Cl N -","- C88 H92 B4 Cl4 N4 -","4","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.0729","0.0433","","","0.1025","0.1221","","","","","","1.147","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121381","15.8892","0.0014","12.4193","0.001","11.0719","0.0009","90","","104.771","0.003","90","","2112.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10Ph","","","- C28 H28 B N -","- C28 H28 B N -","- C112 H112 B4 N4 -","4","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.1114","0.0499","","","0.0915","0.1109","","","","","","1.042","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121382","9.0948","0.0003","36.1717","0.0013","10.2433","0.0004","90","","110.991","0.002","90","","3146.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1PhEt3PO","","","- C40 H40 B O P -","- C40 H40 B O P -","- C160 H160 B4 O4 P4 -","4","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.0718","0.0445","","","0.1033","0.1197","","","","","","1.11","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121383","9.8145","0.0009","15.5763","0.0015","13.7943","0.0013","90","","90.023","0.003","90","","2108.8","0.3","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","3PhEt3PO","","","- C48 H56 B2 O2 P2 -","- C48 H56 B2 O2 P2 -","- C96 H112 B4 O4 P4 -","2","1","","Yruegas, Sam; Martinez, Jesse J.; Martin, Caleb Daniel","Intermolecular Insertion Reactions of Azides Into 9-Borafluorenes to Generate 9,10-B,N-Phenanthrenes","Chemical Communications","2018","","","","","10.1039/C8CC01529E","","","0.71073","MoKα","","0.0721","0.0492","","","0.1004","0.1104","","","","","","1.025","","","","has coordinates","206874","2020-10-21","18:00:00",""
"7121384","15.2125","0.0008","15.041","0.002","12.8713","0.0008","90","","90.483","0.005","90","","2945","0.5","290.83","0.1","290.83","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-methyl-1-tosylindoline","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C128 H136 N8 O16 S8 -","8","2","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","x-ray","0.71073","MoKα","","0.1895","0.0677","","","0.1158","0.1784","","","","","","1.03","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121385","11.2737","0.001","8.0033","0.0008","11.9357","0.001","90","","108.605","0.009","90","","1020.64","0.17","289.5","0.1","289.5","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","(R)-1-((4-bromophenyl)sulfonyl)-2-phenyl-2,3-dihydro-1H-benzo[g]indole","","- C24 H18 Br N O2 S -","- C24 H18 Br N O2 S -","- C48 H36 Br2 N2 O4 S2 -","2","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.0763","0.0494","","","0.0838","0.0963","","","","","","1.065","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121386","8.7131","0.0009","7.8152","0.0008","21.654","0.002","90","","92.171","0.009","90","","1473.5","0.3","291.37","0.1","291.37","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-nitro-1-tosylindoline","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C60 H56 N8 O16 S4 -","4","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.0986","0.0566","","","0.1092","0.1406","","","","","","1.107","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121387","8.1719","0.0016","9.55","0.0011","15.502","0.003","87.411","0.013","88.915","0.016","80.386","0.013","1191.5","0.4","291.17","0.1","291.17","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 N3 O2 Pd S -","- C28 H25 N3 O2 Pd S -","- C56 H50 N6 O4 Pd2 S2 -","2","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","x-ray","0.71073","MoKα","","0.0929","0.059","","","0.0909","0.1088","","","","","","1.044","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121388","7.0085","0.0004","10.9667","0.0007","26.5254","0.0015","90","","90","","90","","2038.7","0.2","292.4","0.5","292.4","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-bromophenyl)sulfonyl)-3-phenyl-2,3-dihydro-1H-benzo[g]indole","","- C24 H18 Br N O2 S -","- C24 H18 Br N O2 S -","- C96 H72 Br4 N4 O8 S4 -","4","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.1005","0.0524","","","0.0843","0.1007","","","","","","1.004","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121389","12.0329","0.0009","24.1681","0.0014","8.5244","0.0005","90","","103.965","0.007","90","","2405.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-methyl-2-nitro-5-tosyl-5,5a,6,10b-tetrahydroindeno[2,1-b]indole","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C92 H80 N8 O16 S4 -","4","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.1344","0.0621","","","0.1335","0.1645","","","","","","0.902","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121390","10.2072","0.0005","13.9301","0.001","15.1016","0.0013","66.531","0.008","75.76","0.006","88.492","0.005","1902.9","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 N4 O3 Pd S -","- C38 H42 N4 O3 Pd S -","- C76 H84 N8 O6 Pd2 S2 -","2","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","1.54184","CuKα","","0.0338","0.0323","","","0.0873","0.089","","","","","","1.0414","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121391","9.36","0.0004","10.9241","0.0004","18.8533","0.0007","90","","90","","90","","1927.74","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Dynamic kinetic resolution of bis-aryl succinic anhydrides: enantioselective synthesis of densely functionalised γ-butyrolactones.","Chemical communications (Cambridge, England)","2018","54","26","3231","3234","10.1039/c8cc00609a","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0772","0.0772","","","","","","1.08","","","","has coordinates","228174","2020-10-21","18:00:00",""
"7121392","9.3111","0.0003","14.0732","0.0005","15.7875","0.0006","90","","90","","90","","2068.75","0.13","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Dynamic kinetic resolution of bis-aryl succinic anhydrides: enantioselective synthesis of densely functionalised γ-butyrolactones.","Chemical communications (Cambridge, England)","2018","54","26","3231","3234","10.1039/c8cc00609a","","x-ray","1.54178","CuKα","","0.0301","0.03","","","0.0771","0.0773","","","","","","1.048","","","","has coordinates","228174","2020-10-21","18:00:00",""
"7121393","9.7044","0.0005","11.2944","0.0005","15.7359","0.0007","82.9237","0.0016","86.2639","0.0016","67.6042","0.0015","1582.19","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H4 O19 Os6 -","- C22 H4 O19 Os6 -","- C44 H8 O38 Os12 -","2","1","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","x-ray","0.71073","MoKα","","0.0444","0.0294","","","0.0467","0.0506","","","","","","1.066","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121394","15.0941","0.0012","9.2362","0.0007","23.5146","0.0018","90","","103.717","0.002","90","","3184.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H4 O19 Os6 -","- C22 H4 O19 Os6 -","- C88 H16 O76 Os24 -","4","1","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","","0.71073","MoKα","","0.0574","0.0414","","","0.0953","0.1039","","","","","","1.08","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121395","11.3105","0.0005","16.1718","0.0008","18.3462","0.0008","87.0138","0.0014","89.5808","0.0015","81.0114","0.0015","3310","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H4 O20 Os6 -","- C23 H4 O20 Os6 -","- C92 H16 O80 Os24 -","4","2","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","","0.71073","MoKα","","0.0467","0.0316","","","0.0599","0.0646","","","","","","1.064","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121396","9.4304","0.0005","9.4911","0.0005","20.117","0.0009","98.507","0.002","95.159","0.002","119.294","0.001","1525.29","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H4 O18 Os6 -","- C21 H4 O18 Os6 -","- C42 H8 O36 Os12 -","2","1","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","","0.71073","MoKα","","0.0501","0.0306","","","0.0434","0.0474","","","","","","1.081","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121397","14.026","0.0007","9.5121","0.0005","24.6707","0.0013","90","","96.081","0.002","90","","3273","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H4 O20 Os6 -","- C23 H4 O20 Os6 -","- C92 H16 O80 Os24 -","4","1","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","","0.71073","MoKα","","0.044","0.0291","","","0.0512","0.0551","","","","","","1.059","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121398","9.7044","0.0005","11.2944","0.0005","15.7359","0.0007","82.9237","0.0016","86.2639","0.0016","67.6042","0.0015","1582.19","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H4 O19 Os6 -","- C22 H4 O19 Os6 -","- C44 H8 O38 Os12 -","2","1","","Adams, Richard D.; Kiprotich, Emmanuel J.; Smith, Mark D.","Multiple cluster CH activations and transformations of furan by triosmium carbonyl complexes.","Chemical communications (Cambridge, England)","2018","54","28","3464","3467","10.1039/C8CC01532E","","x-ray","0.71073","MoKα","","0.0444","0.0294","","","0.0467","0.0506","","","","","","1.066","","","","has coordinates","227980","2020-10-21","18:00:00",""
"7121399","8.5975","0.0002","12.0983","0.0002","19.96","0.0004","90","","90","","90","","2076.14","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N3 O3 S -","- C23 H19 N3 O3 S -","- C92 H76 N12 O12 S4 -","4","1","","Unhale, Rajshekhar A.; Sadhu, Milon M.; Ray, Sumit K.; Biswas, Rayhan G.; Singh, Vinod K.","A chiral Brønsted acid-catalyzed highly enantioselective Mannich-type reaction of α-diazo esters with in situ generated N-acyl ketimines.","Chemical communications (Cambridge, England)","2018","54","28","3516","3519","10.1039/C8CC01436A","","","0.71073","MoKα","","0.0449","0.0408","","","0.1107","0.1139","","","","","","1.057","","","","has coordinates","227982","2020-10-21","18:00:00",""
"7121400","12.6188","0.0004","5.81849","0.00017","15.3547","0.0004","90","","104.358","0.0018","90","","1092.17","0.06","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 Br F3 O4 -","- C23 H20 Br F3 O4 -","- C46 H40 Br2 F6 O8 -","2","1","","Kano, Taichi; Maruyama, Hiroki; Homma, Chihiro; Maruoka, Keiji","Catalyst-controlled diastereoselectivity reversal in the formation of dihydropyrans.","Chemical communications (Cambridge, England)","2018","54","28","3496","3499","10.1039/C8CC01443D","","","1.54187","CuKα","","0.0467","0.0431","","","0.1086","0.116","","","","","","0.827","","","","has coordinates","227983","2020-10-21","18:00:00",""
"7121401","21.6271","0.0008","21.6271","0.0008","10.6708","0.001","90","","90","","90","","4991.1","0.5","294","2","294","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C25 H26 N2 O4 S2 -","- C25 H26 N2 O4 S2 -","- C200 H208 N16 O32 S16 -","8","1","","Zhao, Yingying; Wang, Chunxiang; Hu, Yancheng; Wan, Boshun","Brønsted acid-catalyzed formal [5+2+1] cycloaddition of ynamides and isoxazoles with water: access to oxygen-bridged tetrahydro-1,4-oxazepines.","Chemical communications (Cambridge, England)","2018","54","32","3963","3966","10.1039/c8cc00881g","","","0.71073","MoKα","","0.0769","0.0549","","","0.1534","0.1726","","","","","","1.058","","","","has coordinates","228082","2020-10-21","18:00:00",""
"7121402","13.6905","0.0007","9.2278","0.0003","20.5114","0.0011","90","","106.721","0.005","90","","2481.7","0.2","293","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N2 O4 S -","- C27 H28 N2 O4 S -","- C108 H112 N8 O16 S4 -","4","1","","Zhao, Yingying; Wang, Chunxiang; Hu, Yancheng; Wan, Boshun","Brønsted acid-catalyzed formal [5+2+1] cycloaddition of ynamides and isoxazoles with water: access to oxygen-bridged tetrahydro-1,4-oxazepines.","Chemical communications (Cambridge, England)","2018","54","32","3963","3966","10.1039/c8cc00881g","","","0.71073","MoKα","","0.0901","0.0678","","","0.1981","0.2218","","","","","","1.037","","","","has coordinates,has disorder","228082","2020-10-21","18:00:00",""
"7121403","18.259","0.004","24.563","0.006","17.81","0.004","90","","104.946","0.003","90","","7717","3","293","2","293","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C35 H27 F1.5 Ir N7 P0.25 -","- C37 H27 F1.5 Ir N5 P0.25 -","- C296 H216 F12 Ir8 N40 P2 -","8","1","","Zhang, Qiong; Lu, Xin; Wang, Hui; Tian, Xiaohe; Wang, Aidong; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","A benzoic acid terpyridine-based cyclometalated iridium(iii) complex as a two-photon fluorescence probe for imaging nuclear histidine.","Chemical communications (Cambridge, England)","2018","54","30","3771","3774","10.1039/c8cc00908b","","","0.71073","MoKα","","0.0854","0.0587","","","0.1646","0.1794","","","","","","1.075","","","","has coordinates","228420","2020-10-21","18:00:00",""
"7121404","15.2377","0.0009","15.2377","0.0009","21.055","0.002","90","","90","","120","","4233.7","0.5","293","2","293","2","","","","","","","","6","P 32","P 32","145","","","","- C30 H44 N12 O30 P8 Zn8 -","- C30 H32 N12 O30 P8 Zn8 -","- C90 H96 N36 O90 P24 Zn24 -","3","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Shang, Meng-Meng; Wang, Guo-Ming","An organic-inorganic hybrid zinc phosphite framework with room temperature phosphorescence.","Chemical communications (Cambridge, England)","2018","54","30","3712","3714","10.1039/c8cc00724a","","","0.71073","MoKα","","0.1302","0.1015","","","0.2526","0.2683","","","","","","1.074","","","","has coordinates","228421","2020-10-21","18:00:00",""
"7121405","9.9522","0.0007","10.1329","0.0008","22.2305","0.0018","77.562","0.007","82.35","0.006","89.335","0.006","2169.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 F3 N O S -","- C23 H22 F3 N O S -","- C92 H88 F12 N4 O4 S4 -","4","2","","Ji, Meishan; Yu, Jiajia; Zhu, Chen","Cyanotrifluoromethylthiolation of unactivated dialkyl-substituted alkynes via cyano migration: synthesis of trifluoromethylthiolated acrylonitriles.","Chemical communications (Cambridge, England)","2018","54","50","6812","6815","10.1039/c8cc01189c","","","0.71073","MoKα","","0.1483","0.0753","","","0.1926","0.2373","","","","","","1.011","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7121406","10.1852","0.0002","17.4738","0.0003","14.3619","0.0003","90","","95.538","0.001","90","","2544.12","0.09","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl Ir N3 P -","- C30 H28 Cl Ir N3 P -","- C120 H112 Cl4 Ir4 N12 P4 -","4","1","","Hernández-Juárez, M; López-Serrano, J; González-Herrero, P; Rendón, N; Álvarez, E; Paneque, M.; Suárez, A","Hydrogenation of an iridium-coordinated imidazol-2-ylidene ligand fragment.","Chemical communications (Cambridge, England)","2018","54","31","3843","3846","10.1039/c8cc00420j","","","0.71073","MoKα","","0.0159","0.0151","","","0.0382","0.0386","","","","","","1.133","","","","has coordinates","228429","2020-10-21","18:00:00",""
"7121407","9.6983","0.0004","20.8545","0.0007","12.7013","0.0004","90","","97.551","0.001","90","","2546.6","0.16","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Ir N3 P -","- C30 H31 Ir N3 P -","- C120 H124 Ir4 N12 P4 -","4","1","","Hernández-Juárez, M; López-Serrano, J; González-Herrero, P; Rendón, N; Álvarez, E; Paneque, M.; Suárez, A","Hydrogenation of an iridium-coordinated imidazol-2-ylidene ligand fragment.","Chemical communications (Cambridge, England)","2018","54","31","3843","3846","10.1039/c8cc00420j","","","0.71073","MoKα","","0.0176","0.0155","","","0.0386","0.0393","","","","","","1.058","","","","has coordinates","228429","2020-10-21","18:00:00",""
"7121408","12.4319","0.0006","14.5003","0.0006","14.6477","0.0006","90","","111.232","0.002","90","","2461.25","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Ir N3 P -","- C30 H27 Ir N3 P -","- C120 H108 Ir4 N12 P4 -","4","1","","Hernández-Juárez, M; López-Serrano, J; González-Herrero, P; Rendón, N; Álvarez, E; Paneque, M.; Suárez, A","Hydrogenation of an iridium-coordinated imidazol-2-ylidene ligand fragment.","Chemical communications (Cambridge, England)","2018","54","31","3843","3846","10.1039/c8cc00420j","","","0.71073","MoKα","","0.0274","0.0218","","","0.051","0.0533","","","","","","1.052","","","","has coordinates,has disorder","228429","2020-10-21","18:00:00",""
"7121409","31.394","0.0009","5.3361","0.0002","23.9306","0.0007","90","","100.532","0.003","90","","3941.4","0.2","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54184","CuKα","","0.0538","0.0449","","","0.1238","0.1328","","","","","","1.034","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121410","34.6765","0.0008","5.3631","0.0002","22.8467","0.0005","90","","112.324","0.001","90","","3930.43","0.19","400","2","400","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.0663","0.0546","","","0.1521","0.1662","","","","","","1.039","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121411","31.2568","0.001","5.2632","0.0002","23.9083","0.0008","90","","100.653","0.003","90","","3865.4","0.2","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54184","CuKα","","0.05","0.047","","","0.1311","0.1356","","","","","","1.046","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121412","32.4316","0.0017","5.187","0.0003","22.848","0.0012","90","","104.905","0.004","90","","3714.2","0.4","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.0872","0.0544","","","0.1161","0.1316","","","","","","0.962","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121413","34.7168","0.0004","5.2783","0.0001","22.8445","0.0003","90","","112.593","0.001","90","","3864.9","0.1","295","2","295","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C168 H192 N24 -","4","1","","Janiak, Agnieszka; Esterhuysen, Catharine; Barbour, Leonard J.","A thermo-responsive structural switch and colossal anisotropic thermal expansion in a chiral organic solid.","Chemical communications (Cambridge, England)","2018","54","30","3727","3730","10.1039/c8cc00952j","","","1.54178","CuKα","","0.04","0.0366","","","0.0981","0.1017","","","","","","1.03","","","","has coordinates","228418","2020-10-21","18:00:00",""
"7121414","12.9618","0.0006","9.9513","0.0004","13.2243","0.0007","90","","118.42","0.001","90","","1500.19","0.12","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 B F4 N -","- C16 H18 B F4 N -","- C64 H72 B4 F16 N4 -","4","1","","Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping","A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.","Chemical communications (Cambridge, England)","2018","54","32","4009","4012","10.1039/c8cc00758f","","","0.71073","MoKα","","0.1653","0.0982","","","0.2778","0.3401","","","","","","1.072","","","","has coordinates","228081","2020-10-21","18:00:00",""
"7121415","9.229","0.0007","12.4861","0.0007","15.3456","0.0007","107.395","0.002","100.184","0.002","106.684","0.002","1548.27","0.17","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C31.5 H28 B2 Cl F8 N O0.25 P -","- C31.5 H29 B2 Cl F8 N O0.25 P -","- C63 H58 B4 Cl2 F16 N2 O0.5 P2 -","2","1","","Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping","A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.","Chemical communications (Cambridge, England)","2018","54","32","4009","4012","10.1039/c8cc00758f","","","0.71073","MoKα","","0.1568","0.0838","","","0.2123","0.3042","","","","","","1.146","","","","has coordinates,has disorder","228081","2020-10-21","18:00:00",""
"7121416","13.9016","0.0003","15.3374","0.0004","17.6017","0.0005","84.684","0.002","67.829","0.002","74.648","0.002","3351.33","0.16","100.01","","100.01","","","","","","","","","9","P -1","-P 1","2","","","","- C64.5 H60 B3 Cl5 F12 N2 O2 P2 Ru2 -","- C64.5 H60 B3 Cl5 F12 N2 O2 P2 Ru2 -","- C129 H120 B6 Cl10 F24 N4 O4 P4 Ru4 -","2","1","","Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping","A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.","Chemical communications (Cambridge, England)","2018","54","32","4009","4012","10.1039/c8cc00758f","","","0.71073","MoKα","","0.0576","0.0469","","","0.128","0.1363","","","","","","1.093","","","","has coordinates,has disorder","228081","2020-10-21","18:00:00",""
"7121417","10.2733","0.0002","16.5521","0.0003","27.6804","0.0006","90","","98.924","0.002","90","","4649.93","0.16","173","","173","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 B Cl4 F4 N P2 Ru -","- C51 H46 B Cl4 F4 N P2 Ru -","- C204 H184 B4 Cl16 F16 N4 P8 Ru4 -","4","1","","Zhou, Xiaoxi; Huang, Fanping; Tang, Chun; Zhuo, Qingde; Chen, Zhixin; Zhang, Hong; Xia, Haiping","A missing member of conjugated N-heterocycles: realizing pyrido[1,2-α]azepine by reacting ruthenium alkenylcarbene complex with alkyne.","Chemical communications (Cambridge, England)","2018","54","32","4009","4012","10.1039/c8cc00758f","","","0.71073","MoKα","","0.0514","0.0391","","","0.0888","0.094","","","","","","1.045","","","","has coordinates","228081","2020-10-21","18:00:00",""
"7121418","21.432","0.003","21.432","0.003","28.249","0.006","90","","90","","90","","12976","4","100","2","100","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23 H32 B2 Fe N8 O4 -","- C23 H24 B2 Fe N8 O4 -","- C368 H384 B32 Fe16 N128 O64 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.65","synchrotron","","0.0948","0.0597","","","0.1832","0.2013","","","","","","1.065","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121419","22.012","0.003","22.012","0.003","28.983","0.006","90","","90","","90","","14043","4","298","2","298","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23.75 H24 B2 Fe N8 O1.5 -","- C23.75 H24 B2 Fe N8 O1.5 -","- C380 H384 B32 Fe16 N128 O24 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0679","0.0638","","","0.2201","0.2254","","","","","","1.095","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121420","22.018","0.003","22.018","0.003","29.028","0.006","90","","90","","90","","14073","4","298","2","298","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C23 H24 B2 Fe N8 -","- C23 H24 B2 Fe N8 -","- C368 H384 B32 Fe16 N128 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0593","0.0563","","","0.1955","0.1995","","","","","","1.052","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121421","22.005","0.003","22.005","0.003","28.943","0.006","90","","90","","90","","14015","4","273","2","273","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23.75 H24 B2 Fe N8 O1.5 -","- C23.75 H24 B2 Fe N8 O1.5 -","- C380 H384 B32 Fe16 N128 O24 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.0733","0.0695","","","0.2317","0.2374","","","","","","1.063","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121422","22.056","0.003","22.056","0.003","29.005","0.006","90","","90","","90","","14110","4","200","2","200","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C25.5 H24 B2 Fe N8 O5 -","- C25.5 H24 B2 Fe N8 O5 -","- C408 H384 B32 Fe16 N128 O80 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.7","synchrotron","","0.1987","0.134","","","0.3456","0.3826","","","","","","1.244","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121423","21.983","0.003","21.983","0.003","28.972","0.006","90","","90","","90","","14001","4","298","2","298","2","","","","","","","","6","I -4 c 2","I -4 -2c","120","","","","- C23 H32 B2 Fe N8 O4 -","- C23 H24 B2 Fe N8 O4 -","- C368 H384 B32 Fe16 N128 O64 -","16","1","","Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik","Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.","Chemical communications (Cambridge, England)","2018","54","34","4262","4265","10.1039/c8cc00678d","","","0.8","synchrotron","","0.0987","0.0792","","","0.2306","0.249","","","","","","1.001","","","","has coordinates","228583","2020-10-21","18:00:00",""
"7121424","8.58811","0.00015","9.78515","0.00016","13.2312","0.0002","89.0458","0.0013","80.7673","0.0014","86.3224","0.0014","1095.21","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C52 H44 O10 -","2","1","","Mateos, Javier; Cherubini-Celli, Alessio; Carofiglio, Tommaso; Bonchio, Marcella; Marino, Nadia; Companyó, Xavier; Dell'Amico, Luca","A microfluidic photoreactor enables 2-methylbenzophenone light-driven reactions with superior performance.","Chemical communications (Cambridge, England)","2018","54","50","6820","6823","10.1039/c8cc01373j","","","0.71073","MoKα","","0.0602","0.0452","","","0.1117","0.1219","","","","","","1.048","","","","has coordinates,has disorder","228311","2020-10-21","18:00:00",""
"7121425","12.646","0.013","7.002","0.007","22.75","0.02","90","","90","","90","","2014","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","BS-II-U-69 2,3,5,6-Me4-pyrazine-1-oxide, urea","","- C9 H16 N4 O2 -","- C9 H16 N4 O2 -","- C72 H128 N32 O16 -","8","1","","Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B","Modulating the physical properties of solid forms of urea using co-crystallization technology.","Chemical communications (Cambridge, England)","2018","54","37","4657","4660","10.1039/C8CC01144C","","","0.71073","MoKα","","0.0933","0.0586","","","0.1505","0.1694","","","","","","1.055","","","","has coordinates","228034","2020-10-21","18:00:00",""
"7121426","7.2016","0.0019","26.812","0.006","9.497","0.002","90","","104.392","0.013","90","","1776.2","0.7","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C56 H72 N24 O32 -","8","2","","Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B","Modulating the physical properties of solid forms of urea using co-crystallization technology.","Chemical communications (Cambridge, England)","2018","54","37","4657","4660","10.1039/C8CC01144C","","","0.71073","MoKα","","0.0821","0.0517","","","0.126","0.1399","","","","","","1.052","","","","has coordinates","228034","2020-10-21","18:00:00",""
"7121427","6.5395","0.0005","6.7758","0.0005","15.2596","0.0011","81.525","0.002","85.861","0.002","74.23","0.002","643.24","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","BS-II-U-5 (urea)2, citric acid","","- C8 H16 N4 O9 -","- C8 H16 N4 O9 -","- C16 H32 N8 O18 -","2","1","","Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B","Modulating the physical properties of solid forms of urea using co-crystallization technology.","Chemical communications (Cambridge, England)","2018","54","37","4657","4660","10.1039/C8CC01144C","","","0.71073","MoKα","","0.0391","0.035","","","0.098","0.1013","","","","","","1.057","","","","has coordinates","228034","2020-10-21","18:00:00",""
"7121428","11.6812","0.001","13.2376","0.0012","6.9737","0.0006","90","","100.298","0.004","90","","1060.98","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BS-II-U-79 urea, 2,3,5,6-Me4-pyrazine-1,4-dioxide","","- C9 H16 N4 O3 -","- C9 H16 N4 O3 -","- C36 H64 N16 O12 -","4","1","","Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B","Modulating the physical properties of solid forms of urea using co-crystallization technology.","Chemical communications (Cambridge, England)","2018","54","37","4657","4660","10.1039/C8CC01144C","","","0.71073","MoKα","","0.0749","0.0529","","","0.1456","0.1607","","","","","","1.078","","","","has coordinates","228034","2020-10-21","18:00:00",""
"7121429","11.7696","0.0009","11.6828","0.0008","11.8805","0.0007","62.997","0.007","89.019","0.006","62.634","0.007","1254.2","0.2","250","1","250","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.0911","0.0827","","","0.2379","0.2533","","","","","","1.054","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121430","11.799","0.002","11.225","0.002","11.573","0.002","64.323","0.019","83.075","0.016","62.158","0.019","1215","0.5","180","1","180","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.147","0.081","","","0.1925","0.2414","","","","","","1.026","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121431","11.706","0.002","11.68","0.002","11.898","0.002","63.1","0.019","89.376","0.016","62.86","0.018","1251.2","0.5","220","1","220","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.1748","0.0949","","","0.2446","0.3115","","","","","","1.003","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121432","11.76","0.003","11.193","0.003","11.526","0.003","64.44","0.02","83.26","0.02","62.29","0.03","1205.1","0.7","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.1561","0.0878","","","0.2163","0.2733","","","","","","1.023","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121433","11.4674","0.0007","11.6318","0.0007","11.8386","0.0007","63.371","0.006","90.78","0.005","63.371","0.006","1215.56","0.18","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.0554","0.0503","","","0.1357","0.1421","","","","","","1.085","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121434","11.5506","0.0005","11.5833","0.0005","11.6586","0.0005","62.604","0.004","88.651","0.003","62.157","0.004","1187.64","0.12","80","1","80","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.0755","0.0618","","","0.1602","0.1732","","","","","","1.044","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121435","11.4824","0.0004","11.6432","0.0005","11.8553","0.0004","63.433","0.004","90.777","0.003","63.339","0.004","1220.52","0.12","145","1","145","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","- C36 H58 Cl2 Fe N18 O8 -","1","0.5","","Weselski, Marek; Książek, Maria; Rokosz, Dominika; Dreczko, Agnieszka; Kusz, Joachim; Bronisz, Robert","Double spin transition in a two dimensional Fe(ii) coordination network.","Chemical communications (Cambridge, England)","2018","54","31","3895","3898","10.1039/c8cc01621f","","","0.71073","MoKα","","0.0438","0.0353","","","0.0925","0.0995","","","","","","1.045","","","","has coordinates","228422","2020-10-21","18:00:00",""
"7121436","24.3476","0.0013","7.8717","0.0005","8.1932","0.0005","90","","99","0.006","90","","1550.95","0.16","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H18 Br4 N2 Pb -","- C6 H18 Br4 N2 Pb -","- C24 H72 Br16 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Kong, Jintao; Zhao, Sangen; Sun, Zhihua; Wu, Zhenyue; Li, Lina; Luo, Junhua","Highly efficient white-light emission in a polar two-dimensional hybrid perovskite.","Chemical communications (Cambridge, England)","2018","54","32","4053","4056","10.1039/c8cc01663a","","","0.71073","MoKα","","0.0355","0.0311","","","0.0779","0.0812","","","","","","1.042","","","","has coordinates","228083","2020-10-21","18:00:00",""
"7121437","10.6409","0.0009","9.1391","0.0007","12.7748","0.001","90","","91.516","0.008","90","","1241.89","0.17","294.47","0.1","294.47","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C28 H37 F2 N O2 -","- C28 H37 F2 N O2 -","- C56 H74 F4 N2 O4 -","2","1","","Zhao, Yin-Na; Luo, Yong-Chun; Wang, Zhu-Yin; Xu, Peng-Fei","A new approach to access difluoroalkylated diarylmethanes via visible-light photocatalytic cross-coupling reactions.","Chemical communications (Cambridge, England)","2018","54","32","3993","3996","10.1039/c8cc01486h","","x-ray","0.71073","MoKα","","0.0625","0.0494","","","0.133","0.1499","","","","","","0.969","","","","has coordinates","228086","2020-10-21","18:00:00",""
"7121438","8.8838","0.0006","8.9296","0.0011","13.3506","0.0008","97.838","0.007","98.644","0.005","91.067","0.008","1036.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Roy, Subhasish; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Copper-mediated regioselective C-H etherification of naphthylamides with arylboronic acids using water as an oxygen source.","Chemical communications (Cambridge, England)","2018","54","31","3899","3902","10.1039/c8cc02158a","","","0.71073","MoKα","","0.063","0.0491","","","0.1001","0.1076","","","","","","1.048","","","","has coordinates","228427","2020-10-21","18:00:00",""
"7121439","7.083","0.002","9.054","0.003","13.208","0.004","98.259","0.005","99.321","0.005","112.044","0.004","755.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C34 H30 N2 O8 S2 -","2","1","","Zhang, Jun; Zhang, Feng; Lai, Lifang; Cheng, Jiang; Sun, Jiangtao; Wu, Jie","Generation of sulfonated 1-isoindolinones through a multicomponent reaction with the insertion of sulfur dioxide.","Chemical communications (Cambridge, England)","2018","54","31","3891","3894","10.1039/c8cc01124a","","","0.71073","MoKα","","0.0692","0.0501","","","0.1588","0.2147","","","","","","1.21","","","","has coordinates","228425","2020-10-21","18:00:00",""
"7121440","16.151","0.005","27.037","0.008","16.893","0.005","90","","108.232","0.005","90","","7006","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Mo(silox)2O2","","- C24 H54 Mo O10 Si2 -","- C24 H54 Mo O10 Si2 -","- C192 H432 Mo8 O80 Si16 -","8","2","","Yamamoto, Keishi; Chan, Ka Wing; Mougel, Victor; Nagae, Haruki; Tsurugi, Hayato; Safonova, Olga V.; Mashima, Kazushi; Copéret, Christophe","Silica-supported isolated molybdenum di-oxo species: formation and activation with organosilicon agent for olefin metathesis.","Chemical communications (Cambridge, England)","2018","54","32","3989","3992","10.1039/c8cc01876f","","","0.71073","MoKα","","0.1385","0.071","","","0.1184","0.1423","","","","","","1.049","","","","has coordinates","228084","2020-10-21","18:00:00",""
"7121441","11.55","0.03","14.24","0.03","14.38","0.03","84.79","0.14","80.3","0.13","88.99","0.12","2322","9","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 F10 Ge N8 O9 S3 -","- C35 H36 F10 Ge N8 O9 S3 -","- C70 H72 F20 Ge2 N16 O18 S6 -","2","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Macdonald, Charles L. B.; Burford, Neil","Oxidation of a germanium(ii) dication to access cationic germanium(iv) fluorides.","Chemical communications (Cambridge, England)","2018","54","33","4140","4143","10.1039/c8cc01799a","","","0.71073","MoKα","","0.1631","0.0972","","","0.2478","0.3124","","","","","","1.096","","","","has coordinates,has disorder","228119","2020-10-21","18:00:00",""
"7121442","14.2065","0.0006","18.0706","0.0008","14.8299","0.0008","90","","106.697","0.002","90","","3646.6","0.3","170","","170","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 F8 Ge N7 O6 S2 -","- C32 H31 F8 Ge N7 O6 S2 -","- C128 H124 F32 Ge4 N28 O24 S8 -","4","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Macdonald, Charles L. B.; Burford, Neil","Oxidation of a germanium(ii) dication to access cationic germanium(iv) fluorides.","Chemical communications (Cambridge, England)","2018","54","33","4140","4143","10.1039/c8cc01799a","","","0.71073","MoKα","","0.0688","0.0422","","","0.0954","0.1097","","","","","","1.107","","","","has coordinates","228119","2020-10-21","18:00:00",""
"7121443","14.7605","0.0007","11.2818","0.0005","21.5537","0.001","90","","96.184","0.002","90","","3568.3","0.3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F6 Ge N7 O6 S2 -","- C32 H33 F6 Ge N7 O6 S2 -","- C128 H132 F24 Ge4 N28 O24 S8 -","4","1","","Suter, Riccardo; Swidan, Ala'aeddeen; Macdonald, Charles L. B.; Burford, Neil","Oxidation of a germanium(ii) dication to access cationic germanium(iv) fluorides.","Chemical communications (Cambridge, England)","2018","54","33","4140","4143","10.1039/c8cc01799a","","","0.71073","MoKα","","0.043","0.032","","","0.0798","0.0864","","","","","","1.0506","","","","has coordinates","228119","2020-10-21","18:00:00",""
"7121444","10.4314","0.0002","17.6395","0.0001","21.5389","0.0002","90","","95.133","0.001","90","","3947.36","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H37 N4 O8 Yb -","- C45 H37 N4 O8 Yb -","- C180 H148 N16 O32 Yb4 -","4","1","","Nguyen, Tu N.; Capano, Gloria; Gładysiak, Andrzej; Ebrahim, Fatmah Mish; Eliseeva, Svetlana V.; Chidambaram, Arunraj; Valizadeh, Bardiya; Petoud, Stéphane; Smit, Berend; Stylianou, Kyriakos C.","Lanthanide-based near-infrared emitting metal-organic frameworks with tunable excitation wavelengths and high quantum yields.","Chemical communications (Cambridge, England)","2018","54","50","6816","6819","10.1039/c8cc01294f","","x-ray","0.72179","synchrotron","","0.0295","0.0288","","","0.0789","0.0795","","","","","","1.05","","","","has coordinates,has disorder","228315","2020-10-21","18:00:00",""
"7121445","10.1601","0.0001","17.5813","0.0001","22.5318","0.0003","90","","96.213","0.001","90","","4001.17","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 N5 O9 Yb -","- C45 H40 N5 O9 Yb -","- C180 H160 N20 O36 Yb4 -","4","1","","Nguyen, Tu N.; Capano, Gloria; Gładysiak, Andrzej; Ebrahim, Fatmah Mish; Eliseeva, Svetlana V.; Chidambaram, Arunraj; Valizadeh, Bardiya; Petoud, Stéphane; Smit, Berend; Stylianou, Kyriakos C.","Lanthanide-based near-infrared emitting metal-organic frameworks with tunable excitation wavelengths and high quantum yields.","Chemical communications (Cambridge, England)","2018","54","50","6816","6819","10.1039/c8cc01294f","","x-ray","0.72179","synchrotron","","0.0383","0.0375","","","0.1008","0.1017","","","","","","1.065","","","","has coordinates,has disorder","228315","2020-10-21","18:00:00",""
"7121446","17.9257","0.0002","19.9161","0.0003","18.7188","0.0002","90","","112.635","0.002","90","","6168.06","0.16","99.8","0.3","99.8","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H27.5 F12 Fe I6 N6 O6.25 -","- C57 H27 F12 Fe I6 N6 O6.25 -","- C228 H108 F48 Fe4 I24 N24 O25 -","4","1","","Pfrunder, Michael C.; Brock, Aidan J.; Brown, Joshua J.; Grosjean, Arnaud; Ward, John; McMurtrie, John C.; Clegg, Jack K.","A three-dimensional cubic halogen-bonded network.","Chemical communications (Cambridge, England)","2018","54","32","3974","3976","10.1039/c8cc02178c","","","0.71073","MoKα","","0.0288","0.0249","","","0.0672","0.0712","","","","","","1.151","","","","has coordinates","228087","2020-10-21","18:00:00",""
"7121447","14.812","0.003","20.438","0.004","15.737","0.003","90","","94.18","0.03","90","","4751.4","1.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 B F15 N3 O -","- C50 H48 B F15 N3 O -","- C200 H192 B4 F60 N12 O4 -","4","1","","Kim, Youngsuk; Lee, Eunsung","An air-stable N-heterocyclic carbene iminoxyl borate radical zwitterion.","Chemical communications (Cambridge, England)","2018","54","50","6824","6827","10.1039/c8cc01399c","","","0.7","synchrotron","","0.0671","0.0558","","","0.1699","0.1788","","","","","","1.087","","","","has coordinates","228316","2020-10-21","18:00:00",""
"7121448","18.811","0.004","12.397","0.003","27.524","0.006","90","","107.76","0.03","90","","6113","3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H51 B F20 N3 O -","- C70 H51 B F20 N3 O -","- C280 H204 B4 F80 N12 O4 -","4","1","","Kim, Youngsuk; Lee, Eunsung","An air-stable N-heterocyclic carbene iminoxyl borate radical zwitterion.","Chemical communications (Cambridge, England)","2018","54","50","6824","6827","10.1039/c8cc01399c","","","0.7","Synchrotron","","0.0479","0.045","","","0.1326","0.1354","","","","","","1.049","","","","has coordinates","228316","2020-10-21","18:00:00",""
"7121449","6.5736","0.0004","14.4609","0.0007","17.5037","0.0009","90","","91.312","0.004","90","","1663.47","0.16","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni(II)(propargyl-cyclam)](2Cl)","Ni(propargyl-cyclam)","","- C13 H26 Cl2 N4 Ni -","- C13 H26 Cl2 N4 Ni -","- C52 H104 Cl8 N16 Ni4 -","4","1","","Zhanaidarova, Almagul; Moore, Curtis E.; Gembicky, Milan; Kubiak, Clifford P.","Covalent attachment of [Ni(alkynyl-cyclam)]<sup>2+</sup> catalysts to glassy carbon electrodes.","Chemical communications (Cambridge, England)","2018","54","33","4116","4119","10.1039/c8cc00718g","","x-ray","1.54178","CuKα","","0.0573","0.0517","","","0.1218","0.1242","","","","","","1.137","","","","has coordinates","228121","2020-10-21","18:00:00",""
"7121450","8.5522","0.0003","9.373","0.0003","13.4983","0.0004","109.22","0.002","99.489","0.002","91.607","0.002","1003.79","0.06","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","[Ni(II)(hexynyl-cyclam)]2+","Ni(hexynyl-cyclam)","","- C16 H34 Cl2 N4 Ni O -","- C16 H34 Cl2 N4 Ni O -","- C32 H68 Cl4 N8 Ni2 O2 -","2","1","","Zhanaidarova, Almagul; Moore, Curtis E.; Gembicky, Milan; Kubiak, Clifford P.","Covalent attachment of [Ni(alkynyl-cyclam)]<sup>2+</sup> catalysts to glassy carbon electrodes.","Chemical communications (Cambridge, England)","2018","54","33","4116","4119","10.1039/c8cc00718g","","x-ray","0.71073","MoKα","","0.0621","0.0388","","","0.0833","0.0924","","","","","","1.026","","","","has coordinates","228121","2020-10-21","18:00:00",""
"7121451","8.4321","0.0006","12.0889","0.0008","12.5339","0.0009","106.833","0.002","100.1","0.003","107.515","0.002","1116.93","0.14","100","2","100","","","","","","","","","6","P -1","-P 1","2","[Ni(II)(pentynyl-cyclam)]2+","Ni(pentynyl-cyclam)","","- C16 H34 Cl4 N4 Ni O -","- C16 H34 Cl4 N4 Ni O -","- C32 H68 Cl8 N8 Ni2 O2 -","2","1","","Zhanaidarova, Almagul; Moore, Curtis E.; Gembicky, Milan; Kubiak, Clifford P.","Covalent attachment of [Ni(alkynyl-cyclam)]<sup>2+</sup> catalysts to glassy carbon electrodes.","Chemical communications (Cambridge, England)","2018","54","33","4116","4119","10.1039/c8cc00718g","","x-ray","0.71073","MoKα","","0.0399","0.03","","","0.0669","0.0714","","","","","","1.03","","","","has coordinates","228121","2020-10-21","18:00:00",""
"7121452","18.5181","0.0008","8.291","0.0003","12.5064","0.0005","90","","99.496","0.004","90","","1893.84","0.13","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Lu, Xiao-Yu; Hong, Mei-Lan; Zhou, Hai-Pin; Wang, Yue; Wang, Jin-Yu; Ge, Xiu-Tao","Trisubstituted olefin synthesis via Ni-catalyzed hydroalkylation of internal alkynes with non-activated alkyl halides.","Chemical communications (Cambridge, England)","2018","54","35","4417","4420","10.1039/c8cc01577e","","","1.54184","CuKα","","0.0551","0.0466","","","0.1278","0.1395","","","","","","1.033","","","","has coordinates","228505","2020-10-21","18:00:00",""
"7121453","14.1425","0.0002","14.9026","0.0002","26.1273","0.0004","98.343","0.001","96.438","0.001","111.506","0.001","4986.58","0.13","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C103.5 H144 N8 P4 Sm2 -","- C103.5 H144 N8 P4 Sm2 -","- C207 H288 N16 P8 Sm4 -","2","1","","Schoo, Christoph; Bestgen, Sebastian; Köppe, Ralf; Konchenko, Serygey N.; Roesky, Peter W.","Reactivity of bulky Ln(ii) amidinates towards P<sub>4</sub>, As<sub>4</sub>, and As<sub>4</sub>S<sub>4</sub>.","Chemical communications (Cambridge, England)","2018","54","38","4770","4773","10.1039/c8cc01519h","","x-ray","0.71073","MoKα","","0.0383","0.0284","","","0.0695","0.0737","","","","","","1.005","","","","has coordinates,has disorder","228592","2020-10-21","18:00:00",""
"7121454","14.6528","0.0008","17.1717","0.0007","21.7016","0.0011","90","","96.826","0.004","90","","5421.7","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 As N4 O S2 Sm -","- C54 H78 As N4 O S2 Sm -","- C216 H312 As4 N16 O4 S8 Sm4 -","4","1","","Schoo, Christoph; Bestgen, Sebastian; Köppe, Ralf; Konchenko, Serygey N.; Roesky, Peter W.","Reactivity of bulky Ln(ii) amidinates towards P<sub>4</sub>, As<sub>4</sub>, and As<sub>4</sub>S<sub>4</sub>.","Chemical communications (Cambridge, England)","2018","54","38","4770","4773","10.1039/c8cc01519h","","","0.71073","MoKα","","0.0896","0.0374","","","0.0495","0.0557","","","","","","0.904","","","","has coordinates","228592","2020-10-21","18:00:00",""
"7121455","13.6808","0.0007","16.1681","0.0008","22.4917","0.0011","99.664","0.004","94.939","0.004","95.996","0.004","4850.2","0.4","110","","108","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H140 As4 N8 Sm2 -","- C100 H140 As4 N8 Sm2 -","- C200 H280 As8 N16 Sm4 -","2","1","","Schoo, Christoph; Bestgen, Sebastian; Köppe, Ralf; Konchenko, Serygey N.; Roesky, Peter W.","Reactivity of bulky Ln(ii) amidinates towards P<sub>4</sub>, As<sub>4</sub>, and As<sub>4</sub>S<sub>4</sub>.","Chemical communications (Cambridge, England)","2018","54","38","4770","4773","10.1039/c8cc01519h","","","0.71073","MoKα","","0.1106","0.0642","","","0.1527","0.1755","","","","","","1.019","","","","has coordinates","228592","2020-10-21","18:00:00",""
"7121456","14.5485","0.0016","17.054","0.0007","21.7258","0.0015","90","","96.905","0.007","90","","5351.3","0.7","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H78 As N4 O S2 Yb -","- C54 H78 As N4 O S2 Yb -","- C216 H312 As4 N16 O4 S8 Yb4 -","4","1","","Schoo, Christoph; Bestgen, Sebastian; Köppe, Ralf; Konchenko, Serygey N.; Roesky, Peter W.","Reactivity of bulky Ln(ii) amidinates towards P<sub>4</sub>, As<sub>4</sub>, and As<sub>4</sub>S<sub>4</sub>.","Chemical communications (Cambridge, England)","2018","54","38","4770","4773","10.1039/c8cc01519h","","","0.71073","MoKα","","0.0466","0.0237","","","0.0309","0.0326","","","","","","0.933","","","","has coordinates","228592","2020-10-21","18:00:00",""
"7121457","14.6139","0.0003","13.305","0.0003","19.3418","0.0006","90","","109.188","0.003","90","","3551.85","0.17","298.9","0.6","298.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dimethylammonium manganese hypophosphite","","- C6 H42 Mn3 N3 O18 P9 -","- C6 H42 Mn3 N3 O18 P9 -","- C24 H168 Mn12 N12 O72 P36 -","4","1","","Wu, Yue; Binford, Trevor; Hill, Joshua A.; Shaker, Sammy; Wang, John; Cheetham, Anthony K.","Hypophosphite hybrid perovskites: a platform for unconventional tilts and shifts.","Chemical communications (Cambridge, England)","2018","54","30","3751","3754","10.1039/c8cc00907d","","x-ray","0.71073","MoKα","","0.0638","0.0447","","","0.1056","0.1188","","","","","","1.043","","","","has coordinates","228417","2020-10-21","18:00:00",""
"7121458","14.7593","0.0005","15.6981","0.0006","20.1394","0.0007","74.615","0.002","87.841","0.002","69.604","0.002","4209.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{pinBO(py)UOU(py)OBpin}(LA)]","","- C94 H98 B2 N10 O7 U2 -","- C93.9994 H98 B2 N10 O7 U2 -","- C187.999 H196 B4 N20 O14 U4 -","2","1","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.0335","0.0248","","","0.0516","0.0568","","","","","","1.131","","","","has coordinates,has disorder","228426","2020-10-21","18:00:00",""
"7121459","14.8167","0.0003","15.0681","0.0003","18.9308","0.0004","68.593","0.001","79.072","0.001","86.228","0.001","3863.52","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[{(py){cat(py)BO)UOUOBcat(py)}(LA)]","","- C89 H79 B2 N11 O8 U2 -","- C89 H79 B2 N11 O8 U2 -","- C178 H158 B4 N22 O16 U4 -","2","1","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.0519","0.0298","","","0.0586","0.0649","","","","","","1.013","","","","has coordinates","228426","2020-10-21","18:00:00",""
"7121460","22.5124","0.0002","19.8405","0.0002","20.141","0.0002","90","","110.283","0.001","90","","8438.29","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[{HPh2SiO(THF)UOU(THF)OSiPh2H}(LA)]","","- C98 H102 N8 O7 Si2 U2 -","- C98 H102 N8 O7 Si2 U2 -","- C392 H408 N32 O28 Si8 U8 -","4","0.5","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.0378","0.0267","","","0.0538","0.0574","","","","","","1.042","","","","has coordinates,has disorder","228426","2020-10-21","18:00:00",""
"7121461","23.8381","0.0005","17.7807","0.0002","21.4711","0.0004","90","","114.099","0.002","90","","8307.5","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[{HPh2SiO(py)UOU(py)OSiPh2H}(LA)]","","- C97 H85 N11 O3 Si2 U2 -","- C97 H85 N11 O3 Si2 U2 -","- C388 H340 N44 O12 Si8 U8 -","4","0.5","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.0406","0.0302","","","0.0907","0.0994","","","","","","0.766","","","","has coordinates,has disorder","228426","2020-10-21","18:00:00",""
"7121462","14.0792","0.0003","21.2447","0.0005","14.5359","0.0003","90","0.002","105.081","0.002","90","0.002","4198.07","0.16","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","[{(py)UO(u-C6H4O2)U(py)}(LA)]","","- C96 H108 N10 O7 U2 -","- C78 H70 N10 O4 U2 -","- C156 H140 N20 O8 U4 -","2","0.5","","Cowie, Bradley E.; Nichol, Gary S.; Love, Jason B.; Arnold, Polly L.","Double uranium oxo cations derived from uranyl by borane or silane reduction.","Chemical communications (Cambridge, England)","2018","54","31","3839","3842","10.1039/c8cc00341f","","","0.71073","MoKα","","0.054","0.0403","","","0.0914","0.0969","","","","","","1.05","","","","has coordinates","228426","2020-10-21","18:00:00",""
"7121463","10.2","0.004","21.427","0.007","12.408","0.005","90","","101.29","0.005","90","","2659.4","1.7","293.15","","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H22 Cl2 O3 -","- C32 H22 Cl2 O3 -","- C128 H88 Cl8 O12 -","4","2","","Fang, Xinqiang; Kong, Xiangwen; Liu, Jian; Yang, Shuang; Zeng, Min; Zhan, Xinyue; Li, Chunsen; Song, Jinshuai; Meng, Miao","Brønsted Base-Catalyzed Annulation of Allyl Ketones and Alkynyl 1,2-Diketones","Chemical Communications","2018","","","","","10.1039/C8CC01020J","","","0.71073","MoKα","","0.1667","0.0698","","","0.1272","0.1671","","","","","","0.993","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7121464","24.6762","0.0011","24.6762","0.0011","24.6762","0.0011","90","","90","","90","","15025.7","1.2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C24 H74 Al13 Cl7 O41 -","- C24 H74.0004 Al13 Cl6.9998 O40.9996 -","- C192 H592.003 Al104 Cl55.9984 O327.997 -","8","","","Gu, Bin; Sun, Chenlin; Fettinger, James C.; Casey, William H.; Dikhtiarenko, Alla; Gascon, Jorge; Koichumanova, Kamila; Babu, Karthick; Heeres, Erik; He, Songbo","Synthesis, characterization and properties of a glycol-coordinated ε-Keggin-type Al13 chloride","Chemical Communications","2018","","","","","10.1039/C8CC01363B","","","0.71073","MoKα","","0.0594","0.0569","","","0.1756","0.1786","","","","","","1.096","","","","has coordinates,has disorder","207179","2020-10-21","18:00:00",""
"7121465","5.1541","0.0003","15.3053","0.0007","31.936","0.0014","90","","91.791","0.003","90","","2518","0.2","100","2","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 N4 O4 -","- C33 H28 N4 O4 -","- C132 H112 N16 O16 -","4","1","","Shanmugaraju, Sankarasekaran; la Cour Poulsen, Bjørn; Arisa, Tobi; Umadevi, Deivasigamani; Dalton, Hannah L.; Hawes, Chris S.; Estalayo-Adrián, Sandra; Savyasachi, Aramballi J.; Watson, Graeme W.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, structural characterisation and antiproliferative activity of a new fluorescent 4-amino-1,8-naphthalimide Tröger's base-Ru(ii)-curcumin organometallic conjugate.","Chemical communications (Cambridge, England)","2018","54","33","4120","4123","10.1039/c8cc01584h","","","1.54178","CuKα","","0.0814","0.066","","","0.1705","0.181","","","","","","1.067","","","","has coordinates","228120","2020-10-21","18:00:00",""
"7121466","14.8532","0.0005","18.9099","0.0008","19.3296","0.0007","80.7","0.002","78.221","0.002","84.014","0.002","5230.7","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C105 H92 F6 N6 O22 Ru2 S2 -","- C105 H92 F6 N6 O22 Ru2 S2 -","- C210 H184 F12 N12 O44 Ru4 S4 -","2","1","","Shanmugaraju, Sankarasekaran; la Cour Poulsen, Bjørn; Arisa, Tobi; Umadevi, Deivasigamani; Dalton, Hannah L.; Hawes, Chris S.; Estalayo-Adrián, Sandra; Savyasachi, Aramballi J.; Watson, Graeme W.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, structural characterisation and antiproliferative activity of a new fluorescent 4-amino-1,8-naphthalimide Tröger's base-Ru(ii)-curcumin organometallic conjugate.","Chemical communications (Cambridge, England)","2018","54","33","4120","4123","10.1039/c8cc01584h","","","1.54178","CuKα","","0.2526","0.122","","","0.2761","0.3629","","","","","","1.009","","","","has coordinates,has disorder","228120","2020-10-21","18:00:00",""
"7121467","11.2015","0.0015","18.847","0.003","20.042","0.003","90","","90.198","0.002","90","","4231.1","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Al Cl Si2 Zr -","- C44 H66 Al Cl Si2 Zr -","- C176 H264 Al4 Cl4 Si8 Zr4 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","A zwitterionic aluminabenzene-alkylzirconium complex having half-zirconocene structure: synthesis and application for additive-free ethylene polymerization.","Chemical communications (Cambridge, England)","2018","54","33","4180","4183","10.1039/c8cc02186d","","","0.71075","MoKα","","0.0693","0.057","","","0.1186","0.1251","","","","","","1.127","","","","has coordinates","228124","2020-10-21","18:00:00",""
"7121468","24.0308","0.0011","35.6613","0.0019","45.039","0.002","90","","92.815","0.005","90","","38550","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C668 H828 Ag90 Cl18 N8 O121 S46 W10 -","- C614 H706 Ag90 N2 O98 S46 W10 -","- C1228 H1412 Ag180 N4 O196 S92 W20 -","2","0.5","","Liu, Jia-Wei; Su, Hai-Feng; Wang, Zhi; Li, Yan-An; Zhao, Quan-Qin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","A giant 90-nucleus silver cluster templated by hetero-anions.","Chemical communications (Cambridge, England)","2018","54","35","4461","4464","10.1039/c8cc01767k","","x-ray","1.54184","CuKα","","0.2006","0.1206","","","0.3328","0.396","","","","","","1.082","","","","has coordinates,has disorder","228503","2020-10-21","18:00:00",""
"7121469","16.85","0.007","35.352","0.014","17.915","0.007","90","","116.535","0.011","90","","9547","7","296","2","296","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C78 H128 B4 Cl6 Cu12 F12 N28 P2 S12 W4 -","- C78 H128 B4 Cl6 Cu12 F12 N28 P2 S12 W4 -","- C156 H256 B8 Cl12 Cu24 F24 N56 P4 S24 W8 -","2","0.25","","Qiu, Xiao-Ting; Yao, Rui; Zhou, Wen-Fa; Liu, Meng-Di; Liu, Quan; Song, Ying-Lin; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Rectangle and [2]catenane from cluster modular construction.","Chemical communications (Cambridge, England)","2018","54","33","4168","4171","10.1039/c8cc01950a","","","0.71073","MoKα","","0.1417","0.086","","","0.2322","0.3111","","","","","","1.062","","","","has coordinates,has disorder","228123","2020-10-21","18:00:00",""
"7121470","26.5566","0.0015","22.6712","0.0015","36.931","0.002","90","","91.034","0.002","90","","22231","2","120","2","120","2","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C144 H174 B4 Cl10 Cu12 F12 N36 O12 S16 W4 -","- C144 H174 B4 Cl10 Cu12 F12 N36 O12 S16 W4 -","- C576 H696 B16 Cl40 Cu48 F48 N144 O48 S64 W16 -","4","0.5","","Qiu, Xiao-Ting; Yao, Rui; Zhou, Wen-Fa; Liu, Meng-Di; Liu, Quan; Song, Ying-Lin; Young, David J.; Zhang, Wen-Hua; Lang, Jian-Ping","Rectangle and [2]catenane from cluster modular construction.","Chemical communications (Cambridge, England)","2018","54","33","4168","4171","10.1039/c8cc01950a","","","0.71073","MoKα","","0.1301","0.0773","","","0.1938","0.2253","","","","","","1.055","","","","has coordinates","228123","2020-10-21","18:00:00",""
"7121471","7.2956","0.0004","10.3483","0.0006","14.0315","0.0007","96.97","0.002","98.026","0.002","100.566","0.002","1019.36","0.1","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H56 N2 -","- C54 H56 N2 -","- C54 H56 N2 -","1","0.5","","Nakazato, Takumi; Kamatsuka, Takuto; Inoue, Junichi; Sakurai, Tsuneaki; Seki, Shu; Shinokubo, Hiroshi; Miyake, Yoshihiro","The reductive aromatization of naphthalene diimide: a versatile platform for 2,7-diazapyrenes.","Chemical communications (Cambridge, England)","2018","54","41","5177","5180","10.1039/c8cc01937a","","","0.71073","MoKα","","0.0551","0.0463","","","0.1191","0.1253","","","","","","1.042","","","","has coordinates","228076","2020-10-21","18:00:00",""
"7121472","15.9885","0.0007","6.2625","0.0003","14.7453","0.0006","90","","111.597","0.005","90","","1372.77","0.12","93","2","93","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C34 H24 N2 S4 -","- C34 H24 N2 S4 -","- C68 H48 N4 S8 -","2","0.5","","Nakazato, Takumi; Kamatsuka, Takuto; Inoue, Junichi; Sakurai, Tsuneaki; Seki, Shu; Shinokubo, Hiroshi; Miyake, Yoshihiro","The reductive aromatization of naphthalene diimide: a versatile platform for 2,7-diazapyrenes.","Chemical communications (Cambridge, England)","2018","54","41","5177","5180","10.1039/c8cc01937a","","","0.71073","MoKα","","0.0479","0.0461","","","0.1232","0.125","","","","","","1.098","","","","has coordinates","228076","2020-10-21","18:00:00",""
"7121473","21.6241","0.0008","4.7229","0.0003","27.9845","0.0009","90","","90","","90","","2858","0.2","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H48 N2 -","- C34 H48 N2 -","- C136 H192 N8 -","4","1","","Nakazato, Takumi; Kamatsuka, Takuto; Inoue, Junichi; Sakurai, Tsuneaki; Seki, Shu; Shinokubo, Hiroshi; Miyake, Yoshihiro","The reductive aromatization of naphthalene diimide: a versatile platform for 2,7-diazapyrenes.","Chemical communications (Cambridge, England)","2018","54","41","5177","5180","10.1039/c8cc01937a","","","0.71073","MoKα","","0.0798","0.0675","","","0.1748","0.1878","","","","","","1.053","","","","has coordinates","228076","2020-10-21","18:00:00",""
"7121474","33.966","0.007","19.359","0.004","26.794","0.005","90","","90","","90","","17618","6","100","2","100","2","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C384 H396 N108 O12 Pt24 -","- C384 H396 N108 O12 Pt24 -","- C384 H396 N108 O12 Pt24 -","1","0.25","","Bhat, Imtiyaz Ahmad; Devaraj, Anthonisamy; Howlader, Prodip; Chi, Ki-Whan; Mukherjee, Partha Sarathi","Preparation of a chiral Pt<sub>12</sub> tetrahedral cage and its use in catalytic Michael addition reaction.","Chemical communications (Cambridge, England)","2018","54","38","4814","4817","10.1039/c8cc01487f","","","0.7","synchrotron","","0.1046","0.0735","","","0.2036","0.2177","","","","","","0.976","","","","has coordinates","228591","2020-10-21","18:00:00",""
"7121475","6.1387","0.001","12.306","0.002","12.412","0.002","97.997","0.003","100.495","0.003","96.136","0.003","904.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2-OBz-orthobenzoate sulfite","","","- C20 H16 O8 S -","- C20 H16 O8 S -","- C40 H32 O16 S2 -","2","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0615","0.0491","","","0.1171","0.124","","","","","","1.043","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121476","6.2082","0.0008","7.2693","0.0012","16.148","0.002","93.364","0.012","96.808","0.011","109.758","0.014","677.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O8 S -","- C14 H12 O8 S -","- C28 H24 O16 S2 -","2","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0514","0.0408","","","0.1072","0.1115","","","","","","1.068","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121477","6.5124","0.0003","15.0561","0.0007","20.2887","0.001","90","","90","","90","","1989.33","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0414","0.0312","","","0.0748","0.0804","","","","","","0.851","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121478","12.1168","0.001","12.9658","0.001","25.4643","0.0019","100.531","0.004","97.317","0.004","90.034","0.004","3900","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 O9 S -","- C20 H16 O9 S -","- C160 H128 O72 S8 -","8","4","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.151","0.0958","","","0.2523","0.2913","","","","","","1.059","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121479","5.9531","0.0011","12.597","0.003","14.559","0.003","72.156","0.007","88.823","0.008","84.441","0.008","1034.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 O9 S -","- C21 H16 O9 S -","- C42 H32 O18 S2 -","2","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0655","0.0486","","","0.1342","0.1488","","","","","","1.051","","","","has coordinates,has disorder","228487","2020-10-21","18:00:00",""
"7121480","7.8234","0.0007","9.9598","0.0009","9.9951","0.0009","107.61","0.004","102.745","0.004","109.14","0.004","655.56","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 O8 S -","- C13 H12 O8 S -","- C26 H24 O16 S2 -","2","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0742","0.0558","","","0.1232","0.135","","","","","","1.072","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121481","9.1816","0.0004","13.2228","0.0006","14.5348","0.0006","88.475","0.002","87.657","0.002","88.007","0.002","1761.52","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O8 -","- C21 H16 O8 -","- C84 H64 O32 -","4","2","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.041","0.0353","","","0.092","0.0995","","","","","","1.024","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121482","7.2126","0.0003","17.1917","0.0007","10.7279","0.0005","90","","94.846","0.003","90","","1325.47","0.1","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Quinoxaline-TTF-pyrrole","2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-[1,3]dithiolo[4,5-g]quinoxaline","","- C14 H7 N3 S4 -","- C14 H7 N3 S4 -","- C56 H28 N12 S16 -","4","1","","Park, Jung Su; Tran, Trang Thu; Kim, Jongmin; Sessler, Jonathan L.","Electrochemical amphotericity and NIR absorption induced via the step-wise protonation of fused quinoxaline-tetrathiafulvalene-pyrroles.","Chemical communications (Cambridge, England)","2018","54","36","4553","4556","10.1039/c8cc02018c","","","0.71073","MoKα","","0.0996","0.0661","","","0.1672","0.1848","","","","","","1.019","","","","has coordinates","228489","2020-10-21","18:00:00",""
"7121483","29.9118","0.0011","20.1932","0.0011","9.8958","0.0004","90","","102.473","0.004","90","","5836.1","0.5","192","2","192","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ts-pyrrole-TTF-quinoxaline","2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-6,7-bis(2,5-dimethylthiophen-3-yl)-[1,3]dithiolo[4,5-g]quinoxaline","","- C26 H19 N3 S6 -","- C26 H19 N3 S6 -","- C208 H152 N24 S48 -","8","1","","Park, Jung Su; Tran, Trang Thu; Kim, Jongmin; Sessler, Jonathan L.","Electrochemical amphotericity and NIR absorption induced via the step-wise protonation of fused quinoxaline-tetrathiafulvalene-pyrroles.","Chemical communications (Cambridge, England)","2018","54","36","4553","4556","10.1039/c8cc02018c","","","0.71073","MoKα","","0.1556","0.0949","","","0.2104","0.2445","","","","","","1.01","","","","has coordinates","228489","2020-10-21","18:00:00",""
"7121484","10.8535","0.0003","12.4996","0.0004","18.2429","0.0005","109.371","0.0012","93.9288","0.0012","103.089","0.0013","2246.2","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","Ts-Qx-TTF-pyrrole,2MSA","2-(5H-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene)-6,7-bis(2,5-dimethylthiophen-3-yl)-[1,3]dithiolo[4,5-g]quinoxaline","","- C36 H34 Cl3 N3 O8 S9 -","- C36 H34 Cl3 N3 O8 S9 -","- C72 H68 Cl6 N6 O16 S18 -","2","1","","Park, Jung Su; Tran, Trang Thu; Kim, Jongmin; Sessler, Jonathan L.","Electrochemical amphotericity and NIR absorption induced via the step-wise protonation of fused quinoxaline-tetrathiafulvalene-pyrroles.","Chemical communications (Cambridge, England)","2018","54","36","4553","4556","10.1039/c8cc02018c","","","1.54178","CuKα","","0.0806","0.0695","","","0.199","0.231","","","","","","1.087","","","","has coordinates","228489","2020-10-21","18:00:00",""
"7121485","23.5316","0.0006","6.7006","0.0001","24.2907","0.0006","90","","115.166","0.003","90","","3466.51","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C176 H128 N16 O8 -","8","2","","Xie, Yangxi; Wang, Jian","N-Heterocyclic carbene-catalyzed annulation of ynals with amidines: access to 1,2,6-trisubstituted pyrimidin-4-ones.","Chemical communications (Cambridge, England)","2018","54","36","4597","4600","10.1039/c8cc02023j","","x-ray","1.54184","CuKα","","0.0586","0.0461","","","0.1213","0.1328","","","","","","1.041","","","","has coordinates","228488","2020-10-21","18:00:00",""
"7121486","18.4667","0.0005","8.4993","0.0002","12.0129","0.0004","90","","90","","90","","1885.47","0.09","100","0.1","100","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N4 O4 -","- C19 H17 Br N4 O4 -","- C76 H68 Br4 N16 O16 -","4","1","","Zhao, Hua; Shao, Xiaoru; Wang, Taimin; Zhai, Shengxian; Qiu, Shuxian; Tao, Cheng; Wang, Huifei; Zhai, Hongbin","A 2-(1-methylhydrazinyl)pyridine-directed C-H functionalization/spirocyclization cascade: facile access to spirosuccinimide derivatives.","Chemical communications (Cambridge, England)","2018","54","39","4927","4930","10.1039/c8cc01774c","","x-ray","0.71073","MoKα","","0.0587","0.0494","","","0.1076","0.1156","","","","","","1.036","","","","has coordinates","228172","2020-10-21","18:00:00",""
"7121487","8.1155","0.0002","6.7521","0.0002","27.4966","0.0007","90","","97.325","0.002","90","","1494.43","0.07","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Au F5 N4 O3 S -","- C9 H12 Au F5 N4 O3 S -","- C36 H48 Au4 F20 N16 O12 S4 -","4","1","","Albayer, Mohammad; Corbo, Robert; Dutton, Jason L.","Well defined difluorogold(iii) complexes supported by N-ligands.","Chemical communications (Cambridge, England)","2018","54","50","6832","6834","10.1039/c8cc02535e","","","1.54184","CuKα","","0.0326","0.0321","","","0.0877","0.088","","","","","","1.08","","","","has coordinates","228310","2020-10-21","18:00:00",""
"7121488","9.9221","0.0003","22.0031","0.0006","20.2879","0.0005","90","","101.001","0.0017","90","","4347.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Al N3 O3 -","- C50 H58 Al N3 O3 -","- C200 H232 Al4 N12 O12 -","4","1","","Kwak, Sang Woo; Jin, Hyomin; Shin, Heuiseok; Lee, Ji Hye; Hwang, Hyonseok; Lee, Junseong; Kim, Min; Chung, Yongseog; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan","A salen-Al/carbazole dyad-based guest-host assembly: enhancement of luminescence efficiency via intramolecular energy transfer.","Chemical communications (Cambridge, England)","2018","54","37","4712","4715","10.1039/c8cc01528g","","","0.71073","MoKα","","0.203","0.0864","","","0.1791","0.232","","","","","","0.983","","","","has coordinates","228036","2020-10-21","18:00:00",""
"7121489","26.3056","0.0013","9.4798","0.0004","16.1346","0.0006","90","","106.786","0.002","90","","3852.1","0.3","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N3 O6 Re S2 -","- C15 H14 N3 O6 Re S2 -","- C120 H112 N24 O48 Re8 S16 -","8","2","","Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia","Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0741","0.0362","","0.0601","0.0538","0.0538","","","","","","1","","","","has coordinates","230131","2020-10-21","18:00:00",""
"7121490","19.911","0.011","8.771","0.004","8.088","0.004","90","","93.416","0.015","90","","1410","1.2","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cl2 Cu N4 S4 -","- C24 H28 Cl2 Cu N4 S4 -","- C48 H56 Cl4 Cu2 N8 S8 -","2","0.5","","Mašković, Jelena M; Hatzidimitriou, Antonios; Damjanović, Ana; Stanojković, Tatjana P; Trifunović, Srećko R; Geronikaki, Athina A.; Papagiannopoulou, Dionysia","Synthesis, characterization and biological evaluation of Pd(ii), Cu(ii), Re(i) and <sup>99m</sup>Tc(i) thiazole-based complexes.","MedChemComm","2018","9","5","831","842","10.1039/c8md00067k","","x-ray","0.71073","MoKα","","0.0712","0.047","","0.1036","0.1012","0.1012","","","","","","0.9997","","","","has coordinates","230131","2020-10-21","18:00:00",""
"7121491","12.8863","0.0001","12.8863","0.0001","13.2102","0.0003","90","","90","","90","","2193.64","0.06","100","0.1","100","0.1","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C7 H4 N O3 Zn -","- C7 H4 N O3 Zn1.0005 -","- C56 H32 N8 O24 Zn8.004 -","8","1","","Zhang, Ling; Jiang, Ke; Li, Libo; Xia, Yu-Pei; Hu, Tong-Liang; Yang, Yu; Cui, Yuanjing; Li, Bin; Chen, Banglin; Qian, Guodong","Efficient separation of C<sub>2</sub>H<sub>2</sub> from C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> mixtures in an acid-base resistant metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","38","4846","4849","10.1039/c8cc02235f","","x-ray","1.54178","CuKα","","0.0372","0.0355","","","0.0955","0.0968","","","","","","1.09","","","","has coordinates,has disorder","228596","2020-10-21","18:00:00",""
"7121492","11.8352","0.0001","17.5939","0.0002","18.329","0.0002","90","","90","","90","","3816.6","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H61 Cl N4 Zn -","- C40 H61 Cl N4 Zn -","- C160 H244 Cl4 N16 Zn4 -","4","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0392","0.037","","","0.096","0.0988","","","","","","1.012","","","","has coordinates,has disorder","228358","2020-10-21","18:00:00",""
"7121493","13.8602","0.0002","21.5672","0.0003","12.9197","0.0001","90","","95.682","0.001","90","","3843.06","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 As N4 Si Zn -","- C39 H61 As N4 Si Zn -","- C156 H244 As4 N16 Si4 Zn4 -","4","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0346","0.0284","","","0.0762","0.0826","","","","","","1.066","","","","has coordinates","228358","2020-10-21","18:00:00",""
"7121494","17.2926","0.0002","11.8957","0.0001","19.9787","0.0002","90","","104.184","0.001","90","","3984.48","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H61 As N4 O Zn -","- C41 H61 As N4 O Zn -","- C164 H244 As4 N16 O4 Zn4 -","4","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0468","0.0407","","","0.1148","0.1192","","","","","","1.034","","","","has coordinates","228358","2020-10-21","18:00:00",""
"7121495","14.0308","0.0001","13.9065","0.0001","26.737","0.0002","90","","90.031","0.001","90","","5216.9","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H77 As N4 Si Zn -","- C55 H77 As N4 Si Zn -","- C220 H308 As4 N16 Si4 Zn4 -","4","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0454","0.0372","","","0.0956","0.1018","","","","","","1.029","","","","has coordinates","228358","2020-10-21","18:00:00",""
"7121496","13.577","0.0006","14.7552","0.0005","14.8121","0.0005","92.378","0.003","107.476","0.004","112.237","0.004","2579.1","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H81 As N6 Si Zn -","- C50 H81 As N6 Si Zn -","- C100 H162 As2 N12 Si2 Zn2 -","2","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0487","0.0411","","","0.1109","0.1201","","","","","","1.034","","","","has coordinates","228358","2020-10-21","18:00:00",""
"7121497","23.5616","0.0011","10.817","0.0004","28.5728","0.0009","90","","90.096","0.003","90","","7282.2","0.5","296","2","296.15","","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C86 H30 N2 O52 S13.97 Zn12 -","- C86 H30 N2 O51 S13.8852 Zn12 -","- C172 H60 N4 O102 S27.7704 Zn24 -","2","1","","Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu","Generation of thiyl radicals in a zinc(ii) porous coordination polymer by light-induced post-synthetic deprotection.","Chemical communications (Cambridge, England)","2018","54","38","4782","4785","10.1039/c8cc01837e","","","0.71075","MoKα","","0.1656","0.1032","","","0.2637","0.3119","","","","","","1.037","","","","has coordinates,has disorder","228595","2020-10-21","18:00:00",""
"7121498","23.7128","0.0004","10.805","0.0002","28.5974","0.0005","90","","90.017","0.002","90","","7327.1","0.2","103","2","103.15","","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C92 H66 O52 S20 Zn12 -","- C92 H66 O52 S20 Zn12 -","- C184 H132 O104 S40 Zn24 -","2","1","","Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu","Generation of thiyl radicals in a zinc(ii) porous coordination polymer by light-induced post-synthetic deprotection.","Chemical communications (Cambridge, England)","2018","54","38","4782","4785","10.1039/c8cc01837e","","","0.71075","MoKα","","0.0678","0.0594","","","0.1542","0.1629","","","","","","1.036","","","","has coordinates","228595","2020-10-21","18:00:00",""
"7121499","17.4028","0.0011","13.7025","0.0006","23.9113","0.0009","90","","90","","90","","5701.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1097","0.0775","","","0.1756","0.1958","","","","","","1.031","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121500","17.5861","0.0012","13.7084","0.0007","23.9914","0.0012","90","","90","","90","","5783.8","0.6","210","2","210","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1531","0.0886","","","0.1756","0.203","","","","","","1.059","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121501","17.7039","0.0013","13.7664","0.0008","24.2192","0.0012","90","","90","","90","","5902.7","0.6","420","2","420","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1545","0.0762","","","0.1687","0.2016","","","","","","1.027","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121502","17.4184","0.0015","13.6963","0.0006","23.9378","0.0014","90","","90","","90","","5710.8","0.6","130","2","130","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1305","0.0888","","","0.1956","0.2185","","","","","","1.02","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121503","17.5771","0.0013","13.7282","0.0008","24.1464","0.0013","90","","90","","90","","5826.6","0.6","320","2","320","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1215","0.0734","","","0.169","0.1924","","","","","","1.095","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121504","17.5344","0.0014","13.7273","0.0009","24.1221","0.0013","90","","90","","90","","5806.2","0.7","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1076","0.0701","","","0.1576","0.1821","","","","","","1.021","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121505","17.4508","0.0012","13.6959","0.0008","23.9469","0.0017","90","","90","","90","","5723.4","0.7","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1547","0.1121","","","0.2386","0.2625","","","","","","1.042","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121506","17.645","0.002","13.7539","0.0009","24.1705","0.0016","90","","90","","90","","5865.9","0.9","370","2","370","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1411","0.0826","","","0.1735","0.201","","","","","","1.069","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121507","17.7542","0.0012","13.831","0.0008","24.2599","0.0012","90","","90","","90","","5957.2","0.6","470","2","470","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1925","0.0929","","","0.2012","0.2432","","","","","","1.038","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121508","9.9739","0.0005","13.7151","0.0006","21.1612","0.0009","90","","91.969","0.004","90","","2893","0.2","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0641","0.044","","","0.1029","0.1129","","","","","","1.005","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121509","17.4944","0.0014","13.7191","0.0008","24.0762","0.0012","90","","90","","90","","5778.5","0.6","250","2","250","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H32 N2 Se7 Sn3 -","- C12 H32 N2 Se7 Sn3 -","- C96 H256 N16 Se56 Sn24 -","8","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.1336","0.0812","","","0.1766","0.2043","","","","","","1.031","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121510","9.8761","0.0003","13.597","0.0005","20.7839","0.0006","90","","92.484","0.003","90","","2788.35","0.16","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0533","0.0415","","","0.0946","0.1","","","","","","1.005","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121511","9.8469","0.0003","13.5734","0.0005","20.7529","0.0007","90","","92.642","0.003","90","","2770.8","0.16","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0592","0.0472","","","0.1089","0.1151","","","","","","1.004","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121512","9.8956","0.0004","13.611","0.0005","20.8327","0.0007","90","","92.368","0.003","90","","2803.54","0.18","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0555","0.0417","","","0.0973","0.1036","","","","","","1.005","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121513","9.8365","0.0003","13.5796","0.0004","20.7384","0.0007","90","","92.727","0.003","90","","2767.01","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0551","0.0424","","","0.0922","0.0974","","","","","","1.01","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121514","9.9152","0.0004","13.6371","0.0005","20.9056","0.0008","90","","92.274","0.004","90","","2824.52","0.19","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H30 N2 O3 Se7 Sn3 -","- C10 H30 N2 O3 Se7 Sn3 -","- C40 H120 N8 O12 Se28 Sn12 -","4","1","","Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng","Preparation of thermochromic selenidostannates in deep eutectic solvents.","Chemical communications (Cambridge, England)","2018","54","38","4806","4809","10.1039/c8cc01614c","","","0.71073","MoKα","","0.0531","0.0389","","","0.0883","0.0946","","","","","","1.004","","","","has coordinates","228593","2020-10-21","18:00:00",""
"7121515","9.3962","0.0003","10.839","0.0003","33.4374","0.0009","90","","90","","90","","3405.45","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C136 H168 F16 N8 O32 -","8","2","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Kuprov, Ilya; Martins, Jose C.; Sinnaeve, Davy; Linclau, Bruno","Minimising conformational bias in fluoroprolines through vicinal difluorination.","Chemical communications (Cambridge, England)","2018","54","40","5118","5121","10.1039/c8cc01493k","","x-ray","0.71073","MoKα","K-L~3~","0.0913","0.0703","","","0.1129","0.1201","","","","","","1.139","","","","has coordinates","228359","2020-10-21","18:00:00",""
"7121516","15.77","0.002","12.1249","0.0019","13.749","0.002","90","","90","","90","","2628.9","0.7","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H48 Eu I2 N8 -","- C18 H42 Eu I2 N8 -","- C72 H168 Eu4 I8 N32 -","4","1","","Jenks, Tyler C.; Bailey, Matthew D.; Corbin, Brooke A.; Kuda-Wedagedara, Akhila N W; Martin, Philip D.; Schlegel, H. Bernhard; Rabuffetti, Federico A.; Allen, Matthew J.","Photophysical characterization of a highly luminescent divalent-europium-containing azacryptate.","Chemical communications (Cambridge, England)","2018","54","36","4545","4548","10.1039/c8cc01737a","","","0.71073","MoKα","","0.0162","0.0159","","","0.0414","0.0416","","","","","","0.928","","","","has coordinates","228486","2020-10-21","18:00:00",""
"7121517","14.9671","0.001","14.9671","0.001","14.9671","0.001","90","","90","","90","","3352.8","0.4","100","2","100.1","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C25 H57 Eu I2 N8 O -","- C24.9999 H56.9997 Eu I2 N8 O -","- C99.9996 H227.999 Eu4 I8 N32 O4 -","4","0.333333","","Jenks, Tyler C.; Bailey, Matthew D.; Corbin, Brooke A.; Kuda-Wedagedara, Akhila N W; Martin, Philip D.; Schlegel, H. Bernhard; Rabuffetti, Federico A.; Allen, Matthew J.","Photophysical characterization of a highly luminescent divalent-europium-containing azacryptate.","Chemical communications (Cambridge, England)","2018","54","36","4545","4548","10.1039/c8cc01737a","","","0.71073","MoKα","","0.0424","0.0307","","","0.0673","0.0738","","","","","","1.029","","","","has coordinates,has disorder","228486","2020-10-21","18:00:00",""
"7121518","28.851","0.007","9.668","0.002","13.718","0.003","90","","101.205","0.011","90","","3753.4","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 B2 Fe2 N18 Ni O7 -","- C24 H20 B2 Fe2 N18 Ni O7 -","- C96 H80 B8 Fe8 N72 Ni4 O28 -","4","0.5","","Jiménez, Juan-Ramón; Sugahara, Akira; Okubo, Masashi; Yamada, Atsuo; Chamoreau, Lise-Marie; Lisnard, Laurent; Lescouëzec, Rodrigue","A [Fe<sup>III</sup>(Tp)(CN)<sub>3</sub>]<sup>-</sup> scorpionate-based complex as a building block for designing ion storage hosts (Tp: hydrotrispyrazolylborate).","Chemical communications (Cambridge, England)","2018","54","41","5189","5192","10.1039/c8cc01374h","","","0.71073","MoKα","","0.1421","0.08","","","0.1907","0.2482","","","","","","1.027","","","","has coordinates","228077","2020-10-21","18:00:00",""
"7121519","13.356","0.003","10.8079","0.0018","18.731","0.004","90","","102.739","0.003","90","","2637.3","0.9","93","2","93","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H48 B2 N2 -","- C28 H48 B2 N2 -","- C112 H192 B8 N8 -","4","1","","Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto","Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation.","Chemical communications (Cambridge, England)","2018","54","46","5819","5822","10.1039/c8cc02122h","","","0.71075","MoKα","","0.0974","0.0682","","","0.1543","0.1758","","","","","","1.049","","","","has coordinates","228295","2020-10-21","18:00:00",""
"7121520","9.3775","0.0015","9.7968","0.0014","10.2151","0.0019","62.343","0.008","79.192","0.012","65.439","0.01","756","0.2","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 B2 N2 -","- C36 H40 B2 N2 -","- C36 H40 B2 N2 -","1","0.5","","Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto","Dimerization of boryl- and amino-substituted acetylenes by B<sub>2</sub>C<sub>2</sub> four-membered ring formation.","Chemical communications (Cambridge, England)","2018","54","46","5819","5822","10.1039/c8cc02122h","","","0.71075","MoKα","","0.0631","0.0464","","","0.1046","0.1102","","","","","","0.975","","","","has coordinates","228295","2020-10-21","18:00:00",""
"7121521","8.8275","0.0007","6.0025","0.0005","12.1333","0.0009","90","","103.211","0.007","90","","625.89","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 O -","- C7 H9 O -","- C28 H36 O4 -","4","1","","Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide","Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.","Chemical communications (Cambridge, England)","2018","54","50","6788","6791","10.1039/c8cc02379d","","x-ray","0.71075","MoKα","","0.0661","0.0519","","","0.1286","0.1387","","","","","","1.068","","","","has coordinates","228301","2020-10-21","18:00:00",""
"7121522","9.8253","0.0008","6.718","0.0005","13.1473","0.0012","90","","110.128","0.008","90","","814.81","0.12","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N2 -","- C10 H9 N2 -","- C40 H36 N8 -","4","1","","Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide","Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.","Chemical communications (Cambridge, England)","2018","54","50","6788","6791","10.1039/c8cc02379d","","x-ray","0.71075","MoKα","","0.0683","0.0478","","","0.1111","0.1202","","","","","","1.024","","","","has coordinates","228301","2020-10-21","18:00:00",""
"7121523","12.1379","0.0009","7.1688","0.0005","16.6494","0.001","90","","90","","90","","1448.73","0.17","123","2","123","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Saito, Yuki; Higuchi, Masayuki; Yoshioka, Shota; Senboku, Hisanori; Inokuma, Yasuhide","Bioinspired synthesis of pentalene-based chromophores from an oligoketone chain.","Chemical communications (Cambridge, England)","2018","54","50","6788","6791","10.1039/c8cc02379d","","x-ray","0.71075","MoKα","","0.0399","0.0335","","","0.0756","0.0776","","","","","","1.035","","","","has coordinates","228301","2020-10-21","18:00:00",""
"7121524","6.6428","0.0003","14.2542","0.0006","17.8105","0.0007","90","","90","","90","","1686.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Khan, Ijaz; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed asymmetric decarboxylative cycloaddition of vinylethylene carbonates with 3-cyanochromones.","Chemical communications (Cambridge, England)","2018","54","37","4708","4711","10.1039/c8cc02456a","","","1.54178","CuKα","","0.024","0.0231","","","0.0617","0.0625","","","","","","1.076","","","","has coordinates","228038","2020-10-21","18:00:00",""
"7121525","11.4782","0.0003","14.6774","0.0004","10.854","0.0003","90","","115.824","0.001","90","","1645.97","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Khan, Ijaz; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed asymmetric decarboxylative cycloaddition of vinylethylene carbonates with 3-cyanochromones.","Chemical communications (Cambridge, England)","2018","54","37","4708","4711","10.1039/c8cc02456a","","","1.54178","CuKα","","0.0344","0.031","","","0.0841","0.087","","","","","","1.031","","","","has coordinates","228038","2020-10-21","18:00:00",""
"7121526","7.0542","0.0002","14.1154","0.0004","17.6777","0.0005","90","","90","","90","","1760.22","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Khan, Ijaz; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed asymmetric decarboxylative cycloaddition of vinylethylene carbonates with 3-cyanochromones.","Chemical communications (Cambridge, England)","2018","54","37","4708","4711","10.1039/c8cc02456a","","","1.54178","CuKα","","0.0474","0.0457","","","0.1228","0.1258","","","","","","1.051","","","","has coordinates","228038","2020-10-21","18:00:00",""
"7121527","7.5861","0.0003","13.2521","0.0005","20.2623","0.0008","90","","90","","90","","2037","0.14","290","0.1","290","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Luo, Junhua","A lead-free perovskite-like hybrid with above-room-temperature switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2018","54","44","5614","5617","10.1039/c8cc02496k","","x-ray","0.71073","MoKα","","0.0439","0.0349","","","0.0647","0.0697","","","","","","1.031","","","","has coordinates","228029","2020-10-21","18:00:00",""
"7121528","13.0708","0.0007","7.9573","0.0005","20.1605","0.001","90","","90","","90","","2096.9","0.2","350","0.1","350","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","0.5","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Luo, Junhua","A lead-free perovskite-like hybrid with above-room-temperature switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2018","54","44","5614","5617","10.1039/c8cc02496k","","x-ray","0.71073","MoKα","","0.1088","0.0623","","","0.1652","0.1954","","","","","","1.029","","","","has coordinates","228029","2020-10-21","18:00:00",""
"7121529","9.7664","0.0003","10.1835","0.0004","14.4361","0.0005","106.574","0.003","96.681","0.003","101.627","0.003","1324.56","0.09","291","","291","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H68 N4 O8 S4 -","- C48 H68 N4 O8 S4 -","- C48 H68 N4 O8 S4 -","1","0.5","","Ravi, Anil; Oshchepkov, Aleksandr S.; German, Konstantin E.; Kirakosyan, Gayana A.; Safonov, Aleksey V.; Khrustalev, Victor N.; Kataev, Evgeny A.","Finding a receptor design for selective recognition of perrhenate and pertechnetate: hydrogen vs. halogen bonding.","Chemical communications (Cambridge, England)","2018","54","38","4826","4829","10.1039/c8cc02048e","","","1.54184","CuKα","","0.0647","0.0469","","","0.1282","0.1423","","","","","","1.032","","","","has coordinates,has disorder","228597","2020-10-21","18:00:00",""
"7121530","49.66","0.02","20.107","0.007","48.86","0.02","90","","120.162","0.01","90","","42182","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C175.07 H171.07 Cl24.21 Cu F6 N35 O40.37 S2 -","- C175.068 H73 Cl24.204 Cu F6 N35 O40.373 S2 -","- C1400.54 H584 Cl193.632 Cu8 F48 N280 O322.984 S16 -","8","1","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers","Chemical Communications","2018","","","","","10.1039/C8CC02360C","","","1.54178","CuKα","","0.2786","0.1625","","","0.3768","0.4109","","","","","","1.764","","","","has coordinates,has disorder","207393","2020-10-21","18:00:00",""
"7121531","22.943","0.005","25.222","0.005","27.356","0.006","115.13","0.03","109.03","0.03","92.21","0.03","13255","7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C213.5 H224.5 Cl16.5 Cu F6 N41 O50 S2 -","- C213.5 H93.5 Cl16.5 Cu F6 N41 O50 S2 -","- C427 H187 Cl33 Cu2 F12 N82 O100 S4 -","2","1","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers","Chemical Communications","2018","","","","","10.1039/C8CC02360C","","","0.7222","synchrotron","","0.1037","0.0905","","","0.266","0.2792","","","","","","1.019","","","","has coordinates,has disorder","207393","2020-10-21","18:00:00",""
"7121532","65.2962","0.0007","65.2962","0.0007","42.3749","0.0009","90","","90","","90","","180669","5","100","2","100","2","","","","","","","","8","I 41/a","-I 4ad","88","","","","- C344 H334 Cl13 F6 K2 N71 O68 S2 -","- C344 H142 Cl13 F6 K2 N71 O68 S2 -","- C5504 H2272 Cl208 F96 K32 N1136 O1088 S32 -","16","","","Mateus, Pedro; Wicher, Barbara; Ferrand, Yann; Huc, Ivan","Carbohydrate binding through first- and second-sphere coordination within aromatic oligoamide metallofoldamers","Chemical Communications","2018","","","","","10.1039/C8CC02360C","","","1.54184","CuKα","","0.2065","0.1496","","","0.378","0.4041","","","","","","2.166","","","","has coordinates,has disorder","207393","2020-10-21","18:00:00",""
"7121533","14.55","0.0002","12.0209","0.0002","25.0181","0.0003","90","","99.828","0.001","90","","4311.55","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C224 H192 O16 -","8","1","","Lou, Dandan; Lu, Xiangcheng; Zhang, Mengxing; Bai, Ming; Jiang, Jianzhuang","Regulating the emission of tetraphenylethenes by changing the alkoxyl linkage length between two neighboring phenyl moieties.","Chemical communications (Cambridge, England)","2018","54","51","6987","6990","10.1039/c8cc01184b","","","1.54178","CuKα","","0.046","0.0424","","","0.109","0.1125","","","","","","1.056","","","","has coordinates","228009","2020-10-21","18:00:00",""
"7121534","14.1335","0.0004","9.122","0.0002","17.8477","0.0005","90","","109.798","0.003","90","","2165.02","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 O2 -","- C29 H24 O2 -","- C116 H96 O8 -","4","1","","Lou, Dandan; Lu, Xiangcheng; Zhang, Mengxing; Bai, Ming; Jiang, Jianzhuang","Regulating the emission of tetraphenylethenes by changing the alkoxyl linkage length between two neighboring phenyl moieties.","Chemical communications (Cambridge, England)","2018","54","51","6987","6990","10.1039/c8cc01184b","","","1.54178","CuKα","","0.056","0.0485","","","0.1249","0.1329","","","","","","1.049","","","","has coordinates","228009","2020-10-21","18:00:00",""
"7121535","9.2661","0.0002","8.4682","0.0002","25.032","0.0005","90","","97.682","0.002","90","","1946.56","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","","Lou, Dandan; Lu, Xiangcheng; Zhang, Mengxing; Bai, Ming; Jiang, Jianzhuang","Regulating the emission of tetraphenylethenes by changing the alkoxyl linkage length between two neighboring phenyl moieties.","Chemical communications (Cambridge, England)","2018","54","51","6987","6990","10.1039/c8cc01184b","","","1.54178","CuKα","","0.0402","0.0379","","","0.0959","0.0975","","","","","","1.062","","","","has coordinates","228009","2020-10-21","18:00:00",""
"7121536","9.1319","0.0003","19.4605","0.0005","12.3122","0.0004","90","","97.242","0.003","90","","2170.56","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Lou, Dandan; Lu, Xiangcheng; Zhang, Mengxing; Bai, Ming; Jiang, Jianzhuang","Regulating the emission of tetraphenylethenes by changing the alkoxyl linkage length between two neighboring phenyl moieties.","Chemical communications (Cambridge, England)","2018","54","51","6987","6990","10.1039/c8cc01184b","","","1.54178","CuKα","","0.0629","0.0568","","","0.2326","0.244","","","","","","1.064","","","","has coordinates","228009","2020-10-21","18:00:00",""
"7121537","9.3824","0.0012","9.3181","0.0012","25.644","0.003","90","","97.845","0.004","90","","2221","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C120 H104 O8 -","4","1","","Lou, Dandan; Lu, Xiangcheng; Zhang, Mengxing; Bai, Ming; Jiang, Jianzhuang","Regulating the emission of tetraphenylethenes by changing the alkoxyl linkage length between two neighboring phenyl moieties.","Chemical communications (Cambridge, England)","2018","54","51","6987","6990","10.1039/c8cc01184b","","","0.71073","MoKα","","0.1177","0.0731","","","0.164","0.1808","","","","","","1.031","","","","has coordinates","228009","2020-10-21","18:00:00",""
"7121538","7.2027","0.0013","18.296","0.003","22.189","0.004","90","","90","","90","","2924.1","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H14 O3 -","- C20 H14 O3 -","- C160 H112 O24 -","8","1","","Zhang, Huiwen; Ma, Chunmei; Zheng, Ziwei; Sun, Rengwei; Yu, Xinhong; Zhao, Jianhong","Synthesis of 2-arylbenzofuran-3-carbaldehydes via an organocatalytic [3+2] annulation/oxidative aromatization reaction.","Chemical communications (Cambridge, England)","2018","54","39","4935","4938","10.1039/c8cc02474j","","","0.71073","MoKα","","0.0614","0.0458","","","0.115","0.1256","","","","","","1.034","","","","has coordinates","228170","2020-10-21","18:00:00",""
"7121539","10.2851","0.001","24.103","0.002","12.028","0.0012","90","","92.176","0.002","90","","2979.6","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","matlv04","","","- C14 H42 O19 Ti2 V4 -","- C14 H42 O19 Ti2 V4 -","- C56 H168 O76 Ti8 V16 -","4","1","","VanGelder, L. E.; Forrestel, P. L.; Brennessel, W. W.; Matson, E. M.","Site-selectivity in the halogenation of titanium-functionalized polyoxovanadate-alkoxide clusters.","Chemical communications (Cambridge, England)","2018","54","50","6839","6842","10.1039/c8cc01517a","","","0.71073","MoKα","","0.0861","0.0503","","","0.1135","0.1256","","","","","","1.036","","","","has coordinates,has disorder","228304","2020-10-21","18:00:00",""
"7121540","19.3992","0.0019","11.6179","0.0011","19.5185","0.0019","90","","96.728","0.002","90","","4368.7","0.7","100","0.5","100","0.5","","","","","","","","7","P 1 21/m 1","-P 2yb","11","matlv10","","","- C20 H54 Al Cl5 O19.5 Ti2 V4 -","- C20 H53.75 Al1.0001 Cl5.0002 O19.5 Ti2 V4 -","- C80 H215 Al4.0004 Cl20.0008 O78 Ti8 V16 -","4","1","","VanGelder, L. E.; Forrestel, P. L.; Brennessel, W. W.; Matson, E. M.","Site-selectivity in the halogenation of titanium-functionalized polyoxovanadate-alkoxide clusters.","Chemical communications (Cambridge, England)","2018","54","50","6839","6842","10.1039/c8cc01517a","","","0.71073","MoKα","","0.1021","0.0582","","","0.1417","0.167","","","","","","1.037","","","","has coordinates,has disorder","228304","2020-10-21","18:00:00",""
"7121541","29.4605","0.0002","29.4605","0.0002","37.2375","0.0004","90","","90","","90","","32319.2","0.5","173","2","173","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","","","","- C232 H234 Cl48 N16 O17 Zn -","- C232 H234 Cl48 N16 O17 Zn -","- C928 H936 Cl192 N64 O68 Zn4 -","4","0.5","","Feng, Jiajing; Fu, Lu Lu; Huang, Tengda; Geng, Hua; Jiang, Wei; Wang, Zhaohui","Rylene annulated phthalocyanine: a fully conjugated block for the construction of a supramolecular two-dimensional framework","Chemical Communications","2018","","","","","10.1039/C8CC01216D","","","0.71073","MoKα","","0.1767","0.1301","","","0.3435","0.3753","","","","","","1.141","","","","has coordinates","207430","2020-10-21","18:00:00",""
"7121542","12.353","0.0004","14.6695","0.0004","16.1299","0.0005","93.266","0.002","105.038","0.003","100.126","0.003","2762.64","0.15","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","2,4,6,8-Tetraethyl-1^4^,1^6^,5^4^,5^6^-tetra(3,4-dimethoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C68 H73 O8.5 -","- C68 H72 O8.5 -","- C136 H144 O17 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.0707","0.0559","","","0.1441","0.157","","","","","","1.027","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121543","13.6525","0.0004","15.3663","0.0004","17.4716","0.0005","109.493","0.003","102.788","0.003","99.544","0.002","3253.02","0.19","100","0.1","100","2","","","","","","","","4","P -1","-P 1","2","","rac-2,4,6,8-Tetraethyl-1^4^,3^6^,5^6^,7^6^-tetra(3,4-dimethoxyphenyl)-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C70 H74 Cl6 O8 -","- C70 H74 Cl6 O8 -","- C140 H148 Cl12 O16 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.0547","0.0449","","","0.1177","0.1274","","","","","","1.031","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121544","14.3309","0.0004","18.0783","0.0005","24.9943","0.0005","72.549","0.002","80.55","0.002","75.159","0.002","5944.5","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dimethoxy[1,2]benzeno)-1^6^,5^4^-bis(3,4-dimethoxyphenyl)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C139 H139 Cl9 O16 -","- C139 H139 Cl9 O16 -","- C278 H278 Cl18 O32 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.1192","0.0984","","","0.292","0.3244","","","","","","1.248","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121545","14.2685","0.0003","14.5929","0.0002","19.2492","0.0003","101.482","0.001","91.26","0.001","95.436","0.001","3906.74","0.12","99.9","0.9","99.9","0.9","","","","","","","","3","P -1","-P 1","2","","1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dimethoxy[1,2]benzeno)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane ethylbenzene solvate","","- C96 H99 O8 -","- C96 H99 O8 -","- C192 H198 O16 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.097","0.0885","","","0.257","0.2685","","","","","","1.025","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121546","16.7858","0.0004","20.0431","0.0004","25.8482","0.0005","87.859","0.002","88.846","0.002","68.982","0.002","8111.9","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dimethoxy[1,2]benzeno)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C164 H212 O30 S14 -","- C164 H212 O30 S14 -","- C328 H424 O60 S28 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.1103","0.1001","","","0.2748","0.2868","","","","","","1.04","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121547","17.7109","0.0005","19.323","0.0007","21.2976","0.0007","78.212","0.003","65.437","0.003","66.098","0.003","6054.9","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dimethoxy[1,2]benzeno)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C138 H132 Cl4 O16 -","- C138 H132 Cl4 O16 -","- C276 H264 Cl8 O32 -","2","1","","Smith, Jordan N.; Lucas, Nigel T.","Rigid tetraarylene-bridged cavitands from reduced-symmetry resorcin[4]arene derivatives.","Chemical communications (Cambridge, England)","2018","54","37","4716","4719","10.1039/c8cc01903g","","","1.54184","CuKα","","0.0872","0.0667","","","0.1679","0.182","","","","","","1.022","","","","has coordinates,has disorder","228037","2020-10-21","18:00:00",""
"7121548","18.275","0.003","22.178","0.004","26.09","0.004","100.067","0.01","91.197","0.01","90.025","0.01","10409","3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C158 H155 F65 N25 O8 P11 -","- C158 H155 F65 N25 O8 P11 -","- C316 H310 F130 N50 O16 P22 -","2","1","","Wang, Cai-Yun; Wu, Guangcheng; Jiao, Tianyu; Shen, Libo; Ma, Ge; Pan, Yuanjiang; Li, Hao","Precursor control over the self-assembly of [2]catenanes via hydrazone condensation in water.","Chemical communications (Cambridge, England)","2018","54","40","5106","5109","10.1039/c8cc02599a","","","1.34139","GaKα","","0.241","0.1828","","","0.4861","0.5211","","","","","","1.774","","","","has coordinates","228360","2020-10-21","18:00:00",""
"7121549","34.3375","0.001","27.6556","0.0008","43.5292","0.0012","90","","105.457","0.002","90","","39841","2","170","2","169.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C192 H180 F48 N36 O10 P8 -","- C192 H180 F48 N36 O10 P8 -","- C1536 H1440 F384 N288 O80 P64 -","8","1","","Wang, Cai-Yun; Wu, Guangcheng; Jiao, Tianyu; Shen, Libo; Ma, Ge; Pan, Yuanjiang; Li, Hao","Precursor control over the self-assembly of [2]catenanes via hydrazone condensation in water.","Chemical communications (Cambridge, England)","2018","54","40","5106","5109","10.1039/c8cc02599a","","","1.34139","GaKα","","0.1056","0.0806","","","0.2274","0.2467","","","","","","1.023","","","","has coordinates","228360","2020-10-21","18:00:00",""
"7121550","33.652","0.008","33.652","0.008","8.379","0.002","90","","90","","120","","8218","3","123","2","123","2","","","","","","","","3","R -3","-R 3","148","","","","- C26 H23 B -","- C26 H23 B -","- C468 H414 B18 -","18","","","Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity","Chemical Communications","2018","","","","","10.1039/C8CC02837K","","","0.71075","MoKa","","0.0375","0.0338","","","0.0836","0.0865","","","","","","1.036","","","","has coordinates","207433","2020-10-21","18:00:00",""
"7121551","10.379","0.003","18.921","0.005","8.611","0.002","90","","109.582","0.003","90","","1593.2","0.7","123","2","123","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C44 H36 B N -","- C44 H36 B N -","- C88 H72 B2 N2 -","2","0.5","","Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity","Chemical Communications","2018","","","","","10.1039/C8CC02837K","","","0.71075","MoKa","","0.0482","0.0418","","","0.1005","0.1042","","","","","","1.058","","","","has coordinates","207433","2020-10-21","18:00:00",""
"7121552","8.7378","0.0009","16.5639","0.0017","16.8755","0.0018","80.618","0.004","84.316","0.004","79.857","0.003","2365.9","0.4","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H33 B -","- C29 H33 B -","- C116 H132 B4 -","4","2","","Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity","Chemical Communications","2018","","","","","10.1039/C8CC02837K","","","0.71075","MoKa","","0.0561","0.0402","","","0.0958","0.1039","","","","","","1.013","","","","has coordinates","207433","2020-10-21","18:00:00",""
"7121553","13.674","0.002","16.498","0.003","14.38","0.002","90","","108.384","0.0018","90","","3078.5","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 B N2 -","- C40 H41 B N2 -","- C160 H164 B4 N8 -","4","1","","Ando, Naoki; Kushida, Tomokatsu; Yamaguchi, Shigehiro","A planarized B-phenyldibenzoborepin: Impacts of the structural constraint on its electronic properties and Lewis acidity","Chemical Communications","2018","","","","","10.1039/C8CC02837K","","","0.71075","MoKa","","0.0476","0.0395","","","0.0992","0.1059","","","","","","1.035","","","","has coordinates,has disorder","207433","2020-10-21","18:00:00",""
"7121554","11.765","0.007","22.391","0.012","16.151","0.009","90","","110.732","0.013","90","","3979","4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C97 H64 Eu2 F6 N4 O12 -","- C97 H64 Eu2 F6 N4 O12 -","- C194 H128 Eu4 F12 N8 O24 -","2","0.5","","Kalyakina, Alena S.; Utochnikova, Valentina V.; Zimmer, Manuel; Dietrich, Fabian; Kaczmarek, Anna M.; Van Deun, Rik; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Nieger, Martin; Gerhards, Markus; Schepers, Ute; Bräse, Stefan","Remarkable high efficiency of red emitters using Eu(iii) ternary complexes.","Chemical communications (Cambridge, England)","2018","54","41","5221","5224","10.1039/c8cc02930j","","","0.71073","MoKα","","0.0743","0.0439","","","0.0934","0.1057","","","","","","1.016","","","","has coordinates,has disorder","228079","2020-10-21","18:00:00",""
"7121555","14.583","0.002","13.1391","0.0017","15.364","0.002","90","","103.713","0.004","90","","2859.9","0.7","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H34 Eu2 F12 N4 O12 -","- C66 H34 Eu2 F12 N4 O12 -","- C132 H68 Eu4 F24 N8 O24 -","2","0.5","","Kalyakina, Alena S.; Utochnikova, Valentina V.; Zimmer, Manuel; Dietrich, Fabian; Kaczmarek, Anna M.; Van Deun, Rik; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Nieger, Martin; Gerhards, Markus; Schepers, Ute; Bräse, Stefan","Remarkable high efficiency of red emitters using Eu(iii) ternary complexes.","Chemical communications (Cambridge, England)","2018","54","41","5221","5224","10.1039/c8cc02930j","","","0.71073","MoKα","","0.0976","0.0443","","","0.0695","0.079","","","","","","0.958","","","","has coordinates","228079","2020-10-21","18:00:00",""
"7121556","8.4454","0.0012","7.2057","0.001","10.9962","0.0016","90","","96.797","0.002","90","","664.47","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C28 H30 N2 O4 S2 -","2","1","","Yang, Fan; Chen, Jingchao; Shen, Guoli; Zhang, Xuexin; Fan, Baomin","Asymmetric transfer hydrogenation reactions of N-sulfonylimines by using alcohols as hydrogen sources.","Chemical communications (Cambridge, England)","2018","54","39","4963","4966","10.1039/c8cc01284a","","","0.71073","MoKα","","0.0278","0.0271","","","0.071","0.0714","","","","","","1.077","","","","has coordinates","228169","2020-10-21","18:00:00",""
"7121557","20.209","0.0003","20.209","0.0003","21.1201","0.0004","90","","90","","120","","7469.9","0.2","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C39 H123 N18 O28 Rh5 S15 Zn4 -","- C38.9994 H98.9982 N17.9997 O27.9994 Rh4.9999 S14.9997 Zn4 -","- C116.998 H296.995 N53.9991 O83.9982 Rh14.9997 S44.9991 Zn12 -","3","0.333333","","Yasukawa, Yuhei; Yoshinari, Nobuto; Konno, Takumi","Two-step chiral transfer from d-penicillamine to metallosupramolecular ionic crystals.","Chemical communications (Cambridge, England)","2018","54","39","5003","5006","10.1039/c8cc02619j","","","0.6","synchrotron","","0.1161","0.0908","","","0.2667","0.2922","","","","","","1.09","","","","has coordinates,has disorder","228171","2020-10-21","18:00:00",""
"7121558","13.279","0.009","13.782","0.01","14.45","0.01","95.771","0.015","94.901","0.01","96.534","0.016","2601","3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H139 N18 O36 Rh5 S15 Zn4 -","- C39 H99 N18 O36 Rh5 S15 Zn4 -","- C39 H99 N18 O36 Rh5 S15 Zn4 -","1","1","","Yasukawa, Yuhei; Yoshinari, Nobuto; Konno, Takumi","Two-step chiral transfer from d-penicillamine to metallosupramolecular ionic crystals.","Chemical communications (Cambridge, England)","2018","54","39","5003","5006","10.1039/c8cc02619j","","","0.71075","MoKα","","0.1196","0.085","","","0.2126","0.241","","","","","","1.022","","","","has coordinates","228171","2020-10-21","18:00:00",""
"7121559","10.2159","0.0006","14.359","0.0008","15.0898","0.0008","113.223","0.002","103.443","0.002","98.599","0.002","1905.05","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H32 Cl3 N5 Ni S -","- C46 H32 Cl3 N5 Ni S -","- C92 H64 Cl6 N10 Ni2 S2 -","2","1","","Berthelot, Mathieu; Hoffmann, Guillaume; Bousfiha, Asmae; Echaubard, Julie; Roger, Julien; Cattey, Hélène; Romieu, Anthony; Lucas, Dominique; Fleurat-Lessard, Paul; Devillers, Charles H.","Oxidative C-N fusion of pyridinyl-substituted porphyrins.","Chemical communications (Cambridge, England)","2018","54","43","5414","5417","10.1039/c8cc01375f","","x-ray","0.71073","MoKα","K-L~3~","0.0627","0.0443","","","0.1022","0.1134","","","","","","1.041","","","","has coordinates,has disorder","228128","2020-10-21","18:00:00",""
"7121560","19.386","0.003","20.956","0.003","9.2559","0.0016","90","","96.226","0.005","90","","3738.1","1","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H30 F6 N5 Ni P S -","- C45 H30 F6 N5 Ni P S -","- C180 H120 F24 N20 Ni4 P4 S4 -","4","1","","Berthelot, Mathieu; Hoffmann, Guillaume; Bousfiha, Asmae; Echaubard, Julie; Roger, Julien; Cattey, Hélène; Romieu, Anthony; Lucas, Dominique; Fleurat-Lessard, Paul; Devillers, Charles H.","Oxidative C-N fusion of pyridinyl-substituted porphyrins.","Chemical communications (Cambridge, England)","2018","54","43","5414","5417","10.1039/c8cc01375f","","x-ray","0.71073","MoKα","","0.1451","0.0566","","","0.1024","0.1297","","","","","","0.995","","","","has coordinates","228128","2020-10-21","18:00:00",""
"7121561","10.9758","0.0009","12.6253","0.001","23.005","0.0018","90","","93.015","0.002","90","","3183.5","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N5 Ni S -","- C39 H27 N5 Ni S -","- C156 H108 N20 Ni4 S4 -","4","1","","Berthelot, Mathieu; Hoffmann, Guillaume; Bousfiha, Asmae; Echaubard, Julie; Roger, Julien; Cattey, Hélène; Romieu, Anthony; Lucas, Dominique; Fleurat-Lessard, Paul; Devillers, Charles H.","Oxidative C-N fusion of pyridinyl-substituted porphyrins.","Chemical communications (Cambridge, England)","2018","54","43","5414","5417","10.1039/c8cc01375f","","x-ray","0.71073","MoKα","K-L~3~","0.0825","0.054","","","0.1119","0.1249","","","","","","1.049","","","","has coordinates","228128","2020-10-21","18:00:00",""
"7121562","14.66","0.003","5.7506","0.0012","14.623","0.003","90","","109.41","0.03","90","","1162.7","0.5","289","2","289","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 -","- C28 H20 N4 O4 -","- C56 H40 N8 O8 -","2","0.5","","Zhou, Lijing; Li, Hongji; Zhang, Wenge; Wang, Lei","Tuning chemoselectivity in O-/N-arylation of 3-aryl-1,2,4-oxadiazolones with ortho-(trimethylsilyl)phenyl triflates via aryne insertion.","Chemical communications (Cambridge, England)","2018","54","38","4822","4825","10.1039/c8cc00124c","","","0.71073","MoKα","","0.0578","0.0438","","","0.1027","0.1107","","","","","","1.062","","","","has coordinates","228594","2020-10-21","18:00:00",""
"7121563","32.322","0.0008","32.322","0.0008","78.505","0.003","90","","90","","120","","71027","4","93","","93","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C360 H198 Cu12 N18 O60 -","- C360 H198 Cu12 N18 O60 -","- C2160 H1188 Cu72 N108 O360 -","6","0.166667","","Omoto, Kenichiro; Hosono, Nobuhiko; Gochomori, Mika; Albrecht, Ken; Yamamoto, Kimihisa; Kitagawa, Susumu","Anisotropic convergence of dendritic macromolecules facilitated by a heteroleptic metal-organic polyhedron scaffold.","Chemical communications (Cambridge, England)","2018","54","41","5209","5212","10.1039/c8cc02460j","","","0.71073","MoKα","","0.2244","0.0915","","","0.2694","0.3313","","","","","","1.023","","","","has coordinates,has disorder","228078","2020-10-21","18:00:00",""
"7121564","13.8373","0.0007","14.6324","0.0008","16.7936","0.0008","65.506","0.005","85.068","0.004","61.827","0.005","2702","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 F2 N O4 S -","- C30 H31 F2 N O4 S -","- C120 H124 F8 N4 O16 S4 -","4","2","","Li, Ming; Wang, Cui-Tian; Qiu, Yi-Feng; Zhu, Xin-Yu; Han, Ya-Ping; Xia, Yu; Li, Xue-Song; Liang, Yong-Min","Base promoted direct difunctionalization/cascade cyclization of 1,6-enynes.","Chemical communications (Cambridge, England)","2018","54","42","5334","5337","10.1039/c8cc03280g","","","0.71073","MoKα","","0.0954","0.0594","","","0.1349","0.1599","","","","","","1.034","","","","has coordinates,has disorder","228155","2020-10-21","18:00:00",""
"7121565","12.5836","0.0004","13.0599","0.0005","17.6689","0.0007","90","","91.349","0.003","90","","2902.91","0.18","292.9","0.2","292.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 F2 N O5 S -","- C31 H33 F2 N O5 S -","- C124 H132 F8 N4 O20 S4 -","4","1","","Li, Ming; Wang, Cui-Tian; Qiu, Yi-Feng; Zhu, Xin-Yu; Han, Ya-Ping; Xia, Yu; Li, Xue-Song; Liang, Yong-Min","Base promoted direct difunctionalization/cascade cyclization of 1,6-enynes.","Chemical communications (Cambridge, England)","2018","54","42","5334","5337","10.1039/c8cc03280g","","","1.54184","CuKα","","0.0576","0.0473","","","0.1278","0.1391","","","","","","1.039","","","","has coordinates","228155","2020-10-21","18:00:00",""
"7121566","6.5861","0.0005","12.6581","0.001","17.131","0.0014","109.005","0.003","99.386","0.003","92.908","0.004","1323.96","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 F6 N5 O P Pd -","- C26 H26 F6 N5 O P Pd -","- C52 H52 F12 N10 O2 P2 Pd2 -","2","1","","Zou, Chao; Lin, Jinqiang; Suo, Sa; Xie, Mo; Chang, Xiaoyong; Lu, Wei","Palladium(ii) N-heterocyclic allenylidene complexes with extended intercationic PdPd interactions and MMLCT phosphorescence.","Chemical communications (Cambridge, England)","2018","54","42","5319","5322","10.1039/c8cc01652f","","x-ray","1.54178","CuKα","","0.1205","0.0999","","","0.2463","0.267","","","","","","0.992","","","","has coordinates,has disorder","228157","2020-10-21","18:00:00",""
"7121567","8.2664","0.0011","11.968","0.0015","12.4012","0.0016","73.332","0.004","73.511","0.004","74.085","0.004","1101.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 F6 N4 P Pd -","- C23 H19 F6 N4 P Pd -","- C46 H38 F12 N8 P2 Pd2 -","2","1","","Zou, Chao; Lin, Jinqiang; Suo, Sa; Xie, Mo; Chang, Xiaoyong; Lu, Wei","Palladium(ii) N-heterocyclic allenylidene complexes with extended intercationic PdPd interactions and MMLCT phosphorescence.","Chemical communications (Cambridge, England)","2018","54","42","5319","5322","10.1039/c8cc01652f","","x-ray","0.71073","MoKα","","0.0351","0.0314","","","0.0777","0.0799","","","","","","1.035","","","","has coordinates","228157","2020-10-21","18:00:00",""
"7121568","8.8724","0.0019","13.043","0.003","17.77","0.004","90","","95.506","0.003","90","","2046.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1","","","- C36 H48 Cl4 Cu2 N8 O2 S2 -","- C36 H48 Cl4 Cu2 N8 O2 S2 -","- C72 H96 Cl8 Cu4 N16 O4 S4 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.0973","0.0604","","","0.1157","0.1326","","","","","","0.983","","","","has coordinates","228008","2020-10-21","18:00:00",""
"7121569","8.6706","0.0008","13.3945","0.0012","18.2327","0.0017","90","","95.236","0.003","90","","2108.7","0.3","343","2","343","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5_343K","","","- C35.78 H45.44 Cl4 Cu2 N8 O0.47 -","- C35.776 H45.44 Cl4 Cu2 N8 O0.472 -","- C71.552 H90.88 Cl8 Cu4 N16 O0.944 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.2449","0.1067","","","0.2085","0.2767","","","","","","1.098","","","","has coordinates,has disorder","228008","2020-10-21","18:00:00",""
"7121570","8.8606","0.0014","13.145","0.002","18.08","0.003","90","","95.808","0.002","90","","2095","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4","","","- C40 H52 Cl4 Cu2 N8 O2 -","- C40 H52 Cl4 Cu2 N8 O2 -","- C80 H104 Cl8 Cu4 N16 O4 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.0743","0.0422","","","0.0875","0.1002","","","","","","1.098","","","","has coordinates","228008","2020-10-21","18:00:00",""
"7121571","8.755","0.0007","13.3722","0.0011","17.687","0.0013","90","","95.982","0.003","90","","2059.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Cl4 Cu2 N8 O2 -","- C38 H48 Cl4 Cu2 N8 O2 -","- C76 H96 Cl8 Cu4 N16 O4 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.1878","0.0851","","","0.1671","0.2149","","","","","","1.068","","","","has coordinates,has disorder","228008","2020-10-21","18:00:00",""
"7121572","8.5707","0.0012","12.8298","0.0016","18.181","0.002","90","","91.579","0.004","90","","1998.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2","","","- C36 H42 Cl4 Cu2 N10 -","- C36 H42 Cl4 Cu2 N10 -","- C72 H84 Cl8 Cu4 N20 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.1688","0.0719","","","0.1445","0.1857","","","","","","1.044","","","","has coordinates","228008","2020-10-21","18:00:00",""
"7121573","8.5758","0.0004","13.295","0.0006","17.9793","0.0008","90","","95.182","0.002","90","","2041.54","0.16","99","2","99","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5_100K","","","- C35.52 H44.8 Cl4 Cu2 N8 O0.88 -","- C35.52 H44.8 Cl4 Cu2 N8 O0.88 -","- C71.04 H89.6 Cl8 Cu4 N16 O1.76 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.1096","0.0598","","","0.1237","0.1486","","","","","","1.101","","","","has coordinates,has disorder","228008","2020-10-21","18:00:00",""
"7121574","8.499","0.004","13.247","0.006","18.335","0.008","90","","95.452","0.009","90","","2054.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C36.99 H47.97 Cl4 Cu2 N8 -","- C36.99 H47.976 Cl4 Cu2 N8 -","- C73.98 H95.952 Cl8 Cu4 N16 -","2","0.5","","Nikolayenko, Varvara I.; van Wyk, Lisa M.; Munro, Orde Q.; Barbour, Leonard J.","Supramolecular solvatochromism: mechanistic insight from crystallography, spectroscopy and theory.","Chemical communications (Cambridge, England)","2018","54","51","6975","6978","10.1039/c8cc02197j","","","0.71073","MoKα","","0.0766","0.0491","","","0.1088","0.122","","","","","","1.02","","","","has coordinates,has disorder","228008","2020-10-21","18:00:00",""
"7121575","20.043","0.0011","20.1636","0.0011","32.173","0.0019","93.914","0.001","96.564","0.001","104.502","0.001","12442","1.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C0 H224 Mn72 Na8 O408 W48 -","- Mn72 Na8 O408 W48 -","- Mn72 Na8 O408 W48 -","1","0.5","","Zhang, Chao; Zhang, Mengrui; Shi, Hongyu; Zeng, Qingdao; Zhang, Dongdi; Zhao, Yaqing; Wang, Yuan; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A high-nuclearity isopolyoxotungstate based manganese cluster: one-pot synthesis and step-by-step assembly.","Chemical communications (Cambridge, England)","2018","54","43","5458","5461","10.1039/c8cc01622d","","","0.71073","MoKα","","0.1578","0.0756","","","0.1702","0.1982","","","","","","1.009","","","","has coordinates","228127","2020-10-21","18:00:00",""
"7121576","19.9412","0.0009","19.9412","0.0009","24.1342","0.0015","90","","90","","90","","9597","0.9","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C72 H60 B3 F15 Fe3 N48 -","- C72 H60 B3 F15 Fe3 N48 -","- C288 H240 B12 F60 Fe12 N192 -","4","","","Fernandez-Bartolomé, Estefania; Santos, Jose; Khodabakhshi, Saeed; McCormick, Laura J.; Teat, Simon; Sáenz de Pipaón, Cristina; Galan-Mascaros, Jose; Martín, Nazario; Sanchez Costa, Jose","A Robust and Unique Iron(II) Mosaic-like MOF Architecture","Chemical Communications","2018","","","","","10.1039/C8CC01561A","","","0.7749","synchrotron","","0.1508","0.1301","","","0.4997","0.5509","","","","","","2.717","","","","has coordinates,has disorder","207512","2020-10-21","18:00:00",""
"7121577","6.3615","0.0004","19.7152","0.0013","15.9518","0.0011","90","","94.707","0.002","90","","1993.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 B Fe N2 Si -","- C19 H31 B Fe N2 Si -","- C76 H124 B4 Fe4 N8 Si4 -","4","1","","Bhattacharjee, Hridaynath; Dey, Subhayan; Zhu, Jianfeng; Sun, Wei; Müller, Jens","Strained azabora[2]ferrocenophanes.","Chemical communications (Cambridge, England)","2018","54","44","5562","5565","10.1039/c8cc02965b","","","0.71073","MoKα","","0.0456","0.0375","","","0.1014","0.1057","","","","","","1.064","","","","has coordinates","228026","2020-10-21","18:00:00",""
"7121578","16.488","0.0007","9.3747","0.0004","18.1053","0.0007","90","","95.939","0.002","90","","2783.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 B Fe N Si3 -","- C25 H46 B Fe N Si3 -","- C100 H184 B4 Fe4 N4 Si12 -","4","1","","Bhattacharjee, Hridaynath; Dey, Subhayan; Zhu, Jianfeng; Sun, Wei; Müller, Jens","Strained azabora[2]ferrocenophanes.","Chemical communications (Cambridge, England)","2018","54","44","5562","5565","10.1039/c8cc02965b","","","0.71073","MoKα","","0.0539","0.0376","","","0.0887","0.0951","","","","","","1.046","","","","has coordinates","228026","2020-10-21","18:00:00",""
"7121579","6.2078","0.0002","20.601","0.0007","15.7389","0.0006","90","","94.438","0.002","90","","2006.76","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 B Fe N2 -","- C21 H33 B Fe N2 -","- C84 H132 B4 Fe4 N8 -","4","1","","Bhattacharjee, Hridaynath; Dey, Subhayan; Zhu, Jianfeng; Sun, Wei; Müller, Jens","Strained azabora[2]ferrocenophanes.","Chemical communications (Cambridge, England)","2018","54","44","5562","5565","10.1039/c8cc02965b","","","0.71073","MoKα","","0.0535","0.0368","","","0.0823","0.0883","","","","","","1.034","","","","has coordinates,has disorder","228026","2020-10-21","18:00:00",""
"7121580","6.8428","0.0004","12.319","0.0008","21.388","0.0012","90","","90","","90","","1802.93","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0519","0.0452","","","0.1193","0.1259","","","","","","1.025","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121581","11.4355","0.0016","7.2184","0.0007","14.3262","0.0012","90","","92.092","0.01","90","","1181.8","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C56 H72 N4 O4 -","2","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0562","0.0468","","","0.1277","0.1393","","","","","","1.074","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121582","7.8675","0.0002","12.2525","0.0004","23.0556","0.0008","90","","90","","90","","2222.48","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 -","- C28 H32 N2 -","- C112 H128 N8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0584","0.0543","","","0.1516","0.1586","","","","","","1.045","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121583","25.2076","0.0004","25.2076","0.0004","15.3459","0.0003","90","","90","","120","","8444.7","0.3","250","0.1","250","0.1","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C204 H204 Ag24 F36 N16 O24 S12 -","2","0.0833333","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.0886","0.0798","","","0.208","0.2124","","","","","","1.129","","","","has coordinates,has disorder","207590","2020-10-21","18:00:00",""
"7121584","25.14","0.003","25.14","0.003","20.039","0.004","90","","90","","120","","10968","3","250","0.1","250","0.1","","","","","","","","7","R -3 m","-R 3 2""","166","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C306 H306 Ag36 F54 N24 O36 S18 -","3","","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.1601","0.1233","","","0.3267","0.3459","","","","","","1.129","","","","has coordinates,has disorder","207591","2020-10-21","18:00:00",""
"7121585","43.8008","0.0006","43.8008","0.0006","11.1753","0.0004","90","","90","","120","","18567.5","0.8","250","0.1","250","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C102 H102 Ag12 F18 N8 O12 S6 -","- C102 H102 Ag12 F18 N8 O12 S6 -","- C306 H306 Ag36 F54 N24 O36 S18 -","3","0.5","","Zang, Shuang-Quan; Du, Xiang-Sha; Yan, Bing-Jie; Wang, Jia-Yin; Xi, Xiao-Juan; Wang, Zhao-Yang","Layer-sliding-driven crystal size and photoluminescence change in a novel SCC-MOF","Chemical Communications","2018","","","","","10.1039/C8CC01559G","","x-ray","1.54184","CuKα","","0.1564","0.1378","","","0.4309","0.4506","","","","","","1.101","","","","has coordinates,has disorder","207592","2020-10-21","18:00:00",""
"7121586","13.764","0.0016","17.7878","0.0019","25.873","0.003","90","","103.531","0.002","90","","6158.7","1.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H50 B F24 P Ru -","- C66 H50 B F24 P Ru -","- C264 H200 B4 F96 P4 Ru4 -","4","1","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","","","0.0844","0.0693","","","0.1624","0.1737","","","","","","1.091","","","","has coordinates","228156","2020-10-21","18:00:00",""
"7121587","12.285","0.005","15.887","0.007","18.76","0.008","86.105","0.014","79.344","0.016","84.218","0.015","3575","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H56 B F24 P Ru -","- C80 H56 B F24 P Ru -","- C160 H112 B2 F48 P2 Ru2 -","2","1","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","MoKα","","0.1545","0.106","","","0.1873","0.2207","","","","","","1.091","","","","has coordinates,has disorder","228156","2020-10-21","18:00:00",""
"7121588","12.9248","0.0016","13.019","0.0015","19.015","0.002","82.752","0.004","84.077","0.003","84.036","0.004","3143.7","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H54 B F24 P Ru -","- C68 H54 B F24 P Ru -","- C136 H108 B2 F48 P2 Ru2 -","2","1","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","MoKα","","0.0678","0.0512","","","0.1158","0.1271","","","","","","1.052","","","","has coordinates","228156","2020-10-21","18:00:00",""
"7121589","12.7071","0.0014","15.3471","0.0014","19.473","0.002","111.924","0.004","92.508","0.005","99.722","0.007","3448.6","0.6","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H54 B F24 O P Ru -","- C77 H54 B F24 O P Ru -","- C154 H108 B2 F48 O2 P2 Ru2 -","2","1","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","MoKα","","0.0872","0.06","","","0.1428","0.1617","","","","","","0.996","","","","has coordinates,has disorder","228156","2020-10-21","18:00:00",""
"7121590","18.038","0.003","19.73","0.004","19.271","0.004","90","","95.329","0.004","90","","6829","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 B F24 P Ru -","- C76 H54 B F24 P Ru -","- C304 H216 B4 F96 P4 Ru4 -","4","1","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","MoKα","","0.143","0.1018","","","0.1717","0.1907","","","","","","1.158","","","","has coordinates","228156","2020-10-21","18:00:00",""
"7121591","17.512","0.002","19.924","0.003","21.061","0.003","109.815","0.0014","93.484","0.0015","110.481","0.0013","6340.7","1.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 B F24 P Ru -","- C70 H52 B F24 P Ru -","- C280 H208 B4 F96 P4 Ru4 -","4","2","","Kuwabara, Takuya; Kato, Takahiro; Takano, Kouichi; Kodama, Shintaro; Manabe, Yuuka; Tsuchida, Noriko; Takano, Keiko; Minami, Yasunori; Hiyama, Tamejiro; Ishii, Youichi","P-C reductive elimination in Ru(ii) complexes to convert triarylphosphine ligands into five- or six-membered phosphacycles.","Chemical communications (Cambridge, England)","2018","54","42","5357","5360","10.1039/c8cc02539h","","","0.71075","MoKα","","0.108","0.0687","","","0.1515","0.1771","","","","","","1.066","","","","has coordinates,has disorder","228156","2020-10-21","18:00:00",""
"7121592","12.9903","0.0002","7.8379","0.0001","13.2745","0.0009","90","","114.935","0.008","90","","1225.58","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C60 H52 N12 O4 -","4","1","","Croix, C.; Massip, S.; Viaud-Massuard, M-C","Synthesis of naphthyridin-2(1H)-one derivatives via ring expansion of 3-substituted-1H-pyrrolo[2,3-b]pyridin-2(3H)-one derivatives.","Chemical communications (Cambridge, England)","2018","54","44","5538","5541","10.1039/c8cc01518j","","","1.54187","CuKα","","0.0402","0.0344","","","0.1015","0.1084","","","","","","1.011","","","","has coordinates","228030","2020-10-21","18:00:00",""
"7121593","10.8247","0.0001","14.6849","0.0002","19.4686","0.0013","74.323","0.005","82.323","0.006","77.013","0.005","2894.6","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C61.5 H53.5 Cl4.5 N12 O4 -","- C61 H53 Cl3 N12 O4 -","- C122 H106 Cl6 N24 O8 -","2","1","","Croix, C.; Massip, S.; Viaud-Massuard, M-C","Synthesis of naphthyridin-2(1H)-one derivatives via ring expansion of 3-substituted-1H-pyrrolo[2,3-b]pyridin-2(3H)-one derivatives.","Chemical communications (Cambridge, England)","2018","54","44","5538","5541","10.1039/c8cc01518j","","","1.54187","CuKα","","0.0609","0.0546","","","0.1556","0.1704","","","","","","1.026","","","","has coordinates","228030","2020-10-21","18:00:00",""
"7121594","20.1725","0.0015","7.0286","0.0005","8.788","0.0007","90","","92.475","0.007","90","","1244.84","0.16","100","0.1","100","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","0.5","","Wu, Wanqing; Li, Meng; Zheng, Jia; Hu, Weigao; Li, Chunsheng; Jiang, Huanfeng","Tandem cyclization of o-alkynylanilines with isocyanides triggered by intramolecular nucleopalladation: access to heterocyclic fused 2-aminoquinolines.","Chemical communications (Cambridge, England)","2018","54","50","6855","6858","10.1039/c8cc02028k","","x-ray","0.71073","MoKα","","0.0453","0.0428","","","0.1069","0.1088","","","","","","1.085","","","","has coordinates","228308","2020-10-21","18:00:00",""
"7121595","15.303","0.003","8.7095","0.0019","9.695","0.002","90","","91.626","0.005","90","","1291.6","0.5","213.15","","213.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","CrTz","","- C4 H10 Cr N6 O8 P2 -","- C4 H10 Cr N6 O8 P2 -","- C16 H40 Cr4 N24 O32 P8 -","4","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0522","0.0479","","","0.1245","0.1297","","","","","","1.089","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121596","8.603","0.002","9.609","0.003","15.328","0.005","90","","90","","90","","1267.1","0.6","213.15","","213.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","FeTz","","- C2 H5 Fe0.5 N3 O4 P -","- C2 H5 Fe0.5 N3 O4 P -","- C16 H40 Fe4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0467","0.0377","","","0.0785","0.0827","","","","","","1.122","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121597","8.708","0.002","9.681","0.003","15.573","0.004","90","","90","","90","","1312.8","0.6","173.15","","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","MnTz","","- C2 H5 Mn0.5 N3 O4 P -","- C2 H5 Mn0.5 N3 O4 P -","- C16 H40 Mn4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0383","0.0326","","","0.079","0.082","","","","","","1.127","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121598","8.477","0.003","9.531","0.003","15.479","0.005","90","","90","","90","","1250.6","0.7","223.15","","223.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","CoTz","","- C2 H5 Co0.5 N3 O4 P -","- C2 H5 Co0.5 N3 O4 P -","- C16 H40 Co4 N24 O32 P8 -","8","1","","Ohara, Yuki; Hinokimoto, Akira; Chen, Wenqian; Kitao, Takashi; Nishiyama, Yusuke; Hong, You-Lee; Kitagawa, Susumu; Horike, Satoshi","Formation of coordination polymer glass by mechanical milling: dependence on metal ions and molecular doping for H<sup>+</sup> conductivity.","Chemical communications (Cambridge, England)","2018","54","50","6859","6862","10.1039/c8cc02399a","","","0.71075","MoKα","","0.0271","0.0256","","","0.0669","0.0681","","","","","","1.085","","","","has coordinates,has disorder","228313","2020-10-21","18:00:00",""
"7121599","7.0443","0.0003","24.124","0.001","11.1252","0.0004","90","","99.194","0.001","90","","1866.29","0.13","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","2","","Qiu, Yuanyou; Zhong, Jiaxin; Du, Shan; Gao, Shuanhu","Synthetic studies on daphniglaucins.","Chemical communications (Cambridge, England)","2018","54","44","5554","5557","10.1039/c8cc03063d","","","0.71073","MoKα","","0.0427","0.0338","","","0.0737","0.0796","","","","","","1.037","","","","has coordinates","228033","2020-10-21","18:00:00",""
"7121600","20.658","0.003","8.0271","0.0011","26.312","0.004","90","","103.436","0.01","90","","4243.7","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C192 H272 O24 -","8","1","","Qiu, Yuanyou; Zhong, Jiaxin; Du, Shan; Gao, Shuanhu","Synthetic studies on daphniglaucins.","Chemical communications (Cambridge, England)","2018","54","44","5554","5557","10.1039/c8cc03063d","","","0.71073","MoKα","","0.1602","0.0655","","","0.1509","0.2022","","","","","","1.006","","","","has coordinates","228033","2020-10-21","18:00:00",""
"7121601","9.552","0.003","13.723","0.003","21.581","0.006","100.389","0.017","93.85","0.02","90.376","0.019","2775.7","1.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H42 O4 -","- C32 H42 O4 -","- C128 H168 O16 -","4","2","","Qiu, Yuanyou; Zhong, Jiaxin; Du, Shan; Gao, Shuanhu","Synthetic studies on daphniglaucins.","Chemical communications (Cambridge, England)","2018","54","44","5554","5557","10.1039/c8cc03063d","","","1.54178","CuKα","","0.0662","0.0534","","","0.1437","0.1553","","","","","","1.028","","","","has coordinates","228033","2020-10-21","18:00:00",""
"7121602","9.6734","0.0004","10.6787","0.0004","12.9836","0.0005","76.188","0.002","83.221","0.002","73.4935","0.0019","1246.92","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","AKY-623","","- C27 H21 Mo O6 P -","- C27 H21 Mo O6 P -","- C54 H42 Mo2 O12 P2 -","2","1","","Kyri, A. W.; Gleim, F.; García Alcaraz, A; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","""Low-coordinate"" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.","Chemical communications (Cambridge, England)","2018","54","52","7123","7126","10.1039/c8cc02963f","","","0.71073","MoKα","","0.0311","0.0285","","","0.0601","0.0614","","","","","","1.214","","","","has coordinates,has disorder","228191","2020-10-21","18:00:00",""
"7121603","8.3743","0.0004","7.4432","0.0003","31.6312","0.0013","90","","96.768","0.002","90","","1957.88","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FLG-17","","- C22 H21 Au Cl O P -","- C22 H21 Au Cl O P -","- C88 H84 Au4 Cl4 O4 P4 -","4","1","","Kyri, A. W.; Gleim, F.; García Alcaraz, A; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","""Low-coordinate"" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.","Chemical communications (Cambridge, England)","2018","54","52","7123","7126","10.1039/c8cc02963f","","x-ray","0.71073","MoKα","","0.0521","0.0462","","","0.124","0.1295","","","","","","1.092","","","","has coordinates","228191","2020-10-21","18:00:00",""
"7121604","8.3304","0.0003","25.6709","0.0009","9.0341","0.0003","90","","115.043","0.002","90","","1750.31","0.11","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","AKY-630","","- C22 H21 O P -","- C22 H21 O P -","- C88 H84 O4 P4 -","4","2","","Kyri, A. W.; Gleim, F.; García Alcaraz, A; Schnakenburg, G.; Espinosa Ferao, A.; Streubel, R.","""Low-coordinate"" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.","Chemical communications (Cambridge, England)","2018","54","52","7123","7126","10.1039/c8cc02963f","","","0.71073","MoKα","","0.0373","0.0314","","","0.0739","0.0757","","","","","","0.972","","","","has coordinates","228191","2020-10-21","18:00:00",""
"7121605","16.418","0.007","29.213","0.013","14.052","0.005","90","","90","","90","","6740","5","173","2","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C51 H59 Cl Cu2 N17 O17 -","- C42 H38 Cl Cu2 N14 O14 -","- C168 H152 Cl4 Cu8 N56 O56 -","4","0.5","","Wu, Xue-Song; Wang, Xin-Long; Zhu, Fu-Long; Bao, Hong-Fei; Qin, Chao; Su, Zhong-Min","Guest exchange in a porous cucurbit[6]uril-based metal-organic rotaxane framework probed by NMR and X-ray crystallography.","Chemical communications (Cambridge, England)","2018","54","43","5474","5477","10.1039/c8cc02847h","","x-ray","0.71073","MoKα","","0.0596","0.0402","","","0.1103","0.1188","","","","","","1.013","","","","has coordinates","228125","2020-10-21","18:00:00",""
"7121606","16.261","0.011","29.33","0.02","14.304","0.009","90","","90","","90","","6822","8","173","2","173.15","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C57 H49 Cl Cu2 N14 O14 -","- C58 H34 Cl Cu2 N14 O14 -","- C232 H136 Cl4 Cu8 N56 O56 -","4","0.5","","Wu, Xue-Song; Wang, Xin-Long; Zhu, Fu-Long; Bao, Hong-Fei; Qin, Chao; Su, Zhong-Min","Guest exchange in a porous cucurbit[6]uril-based metal-organic rotaxane framework probed by NMR and X-ray crystallography.","Chemical communications (Cambridge, England)","2018","54","43","5474","5477","10.1039/c8cc02847h","","x-ray","0.71073","MoKα","","0.0745","0.0573","","","0.1604","0.1756","","","","","","1.081","","","","has coordinates,has disorder","228125","2020-10-21","18:00:00",""
"7121607","12.7887","0.0015","38.195","0.0019","10.823","0.0015","90","","90","","90","","5286.7","1","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Zhang, Kai; Sun, Qikun; Zhang, Zhenzhen; Tang, Linagliang; Xie, Zongliang; Chi, Zhenguo; Xue, Shanfeng; Zhang, Haichang; Yang, Wenjun","Touch-sensitive mechanoluminescence crystals comprising a simple purely organic molecule emit bright blue fluorescence regardless of crystallization methods.","Chemical communications (Cambridge, England)","2018","54","41","5225","5228","10.1039/c8cc02513d","","","0.71073","MoKα","","0.1072","0.0427","","","0.0544","0.0633","","","","","","0.982","","","","has coordinates","228075","2020-10-21","18:00:00",""
"7121608","7.0842","0.0003","14.2629","0.0004","18.9648","0.0005","90","","90","","90","","1916.23","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br F3 N O4 -","- C20 H15 Br F3 N O4 -","- C80 H60 Br4 F12 N4 O16 -","4","1","","Kondo, Hiroya; Maeno, Mayaka; Hirano, Kazuki; Shibata, Norio","Asymmetric synthesis of α-trifluoromethoxy ketones with a tetrasubstituted α-stereogenic centre via the palladium-catalyzed decarboxylative allylic alkylation of allyl enol carbonates.","Chemical communications (Cambridge, England)","2018","54","44","5522","5525","10.1039/c8cc03131b","","","0.71075","MoKα","","","0.031","","","","0.0701","","","","","","1.033","","","","has coordinates","228028","2020-10-21","18:00:00",""
"7121609","12.264","0.003","11.172","0.003","13.938","0.004","90","","104.374","0.003","90","","1849.9","0.9","100","1","100","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H24 Cl3.5 O3 Pu -","- C12 H24 Cl3.5 O3 Pu -","- C48 H96 Cl14 O12 Pu4 -","4","1","","Pattenaude, Scott A.; Anderson, Nickolas H.; Bart, Suzanne C.; Gaunt, Andrew J.; Scott, Brian L.","Non-aqueous neptunium and plutonium redox behaviour in THF - access to a rare Np(iii) synthetic precursor.","Chemical communications (Cambridge, England)","2018","54","48","6113","6116","10.1039/c8cc02611d","","","0.71073","MoKα","","0.0364","0.0315","","","0.0654","0.0662","","","","","","1.742","","","","has coordinates","228356","2020-10-21","18:00:00",""
"7121610","12.5752","0.0008","15.7756","0.001","15.1347","0.0014","90","","108.711","0.0007","90","","2843.8","0.4","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 Cl3 N4 Np O2 -","- C20 H20 Cl3 N4 Np -","- C80 H80 Cl12 N16 Np4 -","4","0.5","","Pattenaude, Scott A.; Anderson, Nickolas H.; Bart, Suzanne C.; Gaunt, Andrew J.; Scott, Brian L.","Non-aqueous neptunium and plutonium redox behaviour in THF - access to a rare Np(iii) synthetic precursor.","Chemical communications (Cambridge, England)","2018","54","48","6113","6116","10.1039/c8cc02611d","","","0.71073","MoKα","","0.029","0.0222","","","0.0446","0.0462","","","","","","1.067","","","","has coordinates","228356","2020-10-21","18:00:00",""
"7121611","7.8064","0.0013","14.381","0.003","8.4636","0.0015","90","","100.837","0.0019","90","","933.2","0.3","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H24 Cl4 Np O3 -","- C12 H24 Cl4 Np O3 -","- C24 H48 Cl8 Np2 O6 -","2","1","","Pattenaude, Scott A.; Anderson, Nickolas H.; Bart, Suzanne C.; Gaunt, Andrew J.; Scott, Brian L.","Non-aqueous neptunium and plutonium redox behaviour in THF - access to a rare Np(iii) synthetic precursor.","Chemical communications (Cambridge, England)","2018","54","48","6113","6116","10.1039/c8cc02611d","","","0.71073","MoKα","","0.0308","0.0266","","","0.0535","0.0546","","","","","","0.98","","","","has coordinates,has disorder","228356","2020-10-21","18:00:00",""
"7121612","8.6735","0.0004","32.9368","0.0015","9.8794","0.0005","90","","110.658","0.002","90","","2640.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 O Zr -","- C30 H44 O Zr -","- C120 H176 O4 Zr4 -","4","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Zirconocene mediated acetylboron chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5724","5727","10.1039/c8cc02680g","","","1.54178","CuKα","","0.0296","0.0289","","","0.0699","0.0703","","","","","","1.075","","","","has coordinates,has disorder","228519","2020-10-21","18:00:00",""
"7121613","26.8923","0.0013","10.9665","0.0005","31.0978","0.0014","90","","94.806","0.002","90","","9138.9","0.7","106","2","106","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H57 B F10 O3 Zr -","- C49 H57 B F10 O3 Zr -","- C392 H456 B8 F80 O24 Zr8 -","8","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Zirconocene mediated acetylboron chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5724","5727","10.1039/c8cc02680g","","","0.71073","MoKα","","0.0608","0.0382","","","0.0673","0.0735","","","","","","1.053","","","","has coordinates,has disorder","228519","2020-10-21","18:00:00",""
"7121614","12.4315","0.0006","17.3708","0.001","21.1666","0.0011","110.538","0.002","104.768","0.002","97.356","0.002","4017.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 B F10 O2 Zr -","- C44 H47 B F10 O2 Zr -","- C176 H188 B4 F40 O8 Zr4 -","4","2","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Zirconocene mediated acetylboron chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5724","5727","10.1039/c8cc02680g","","","0.71073","MoKα","","0.1036","0.0534","","","0.0991","0.1139","","","","","","1.028","","","","has coordinates,has disorder","228519","2020-10-21","18:00:00",""
"7121615","9.9866","0.0005","13.5663","0.0006","17.4676","0.0007","71.19","0.001","82.82","0.002","69.877","0.002","2103.13","0.17","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H45 B F10 O2 Zr -","- C43 H45 B F10 O2 Zr -","- C86 H90 B2 F20 O4 Zr2 -","2","1","","Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Zirconocene mediated acetylboron chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5724","5727","10.1039/c8cc02680g","","","0.71073","MoKα","","0.0546","0.0389","","","0.0824","0.0887","","","","","","1.032","","","","has coordinates","228519","2020-10-21","18:00:00",""
"7121616","17.423","0.0007","6.0728","0.0002","20.2071","0.0007","90","","103.62","0.004","90","","2077.92","0.13","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-fluorophenyl)-3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione","","- C23 H27 Cl0 F N4 O3 -","- C23 H27 F N4 O3 -","- C92 H108 F4 N16 O12 -","4","1","","Kucwaj-Brysz, Katarzyna; Kurczab, Rafał; Żesławska, Ewa; Lubelska, Annamaria; Marć, Małgorzata Anna; Latacz, Gniewomir; Satała, Grzegorz; Nitek, Wojciech; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga","The role of aryl-topology in balancing between selective and dual 5-HT<sub>7</sub>R/5-HT<sub>1A</sub> actions of 3,5-substituted hydantoins.","MedChemComm","2018","9","6","1033","1044","10.1039/c8md00168e","","x-ray","0.71073","MoKα","","0.112","0.0738","","","0.1793","0.2028","","","","","","1.06","","","","has coordinates","230135","2020-10-21","18:00:00",""
"7121617","8.3029","0.0003","10.9797","0.0003","12.3088","0.0003","77.695","0.003","82.174","0.002","84.301","0.003","1083.25","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H25 N O3 S -","- C24 H25 N O3 S -","- C48 H50 N2 O6 S2 -","2","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0483","0.0483","","","0.1282","0.1282","","","","","","1.035","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121618","9.0371","0.0006","8.0682","0.0004","16.2367","0.001","90","","103.107","0.006","90","","1153.03","0.12","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Cl2 N O3 S -","- C24 H23 Cl2 N O3 S -","- C48 H46 Cl4 N2 O6 S2 -","2","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0512","0.0501","","","0.1336","0.1354","","","","","","1.059","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121619","11.26646","0.00016","6.7203","0.00009","21.0219","0.0003","90","","101.248","0.0013","90","","1561.08","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0364","0.0347","","","0.0927","0.0946","","","","","","1.051","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121620","8.2814","0.0007","12.1086","0.0008","23.3936","0.0012","90","","90","","90","","2345.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0365","0.0355","","","0.0903","0.0913","","","","","","1.058","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121621","12.3854","0.0003","8.06169","0.00018","23.0268","0.0005","90","","94.441","0.002","90","","2292.26","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C104 H108 N4 O12 S4 -","4","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0338","0.0333","","","0.0869","0.0872","","","","","","1.044","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121622","15.72773","0.00019","8.01122","0.00007","18.9065","0.0003","90","","111.479","0.0015","90","","2216.75","0.05","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23.5 H26.5 N O3 S2 -","- C22 H23 N O3 S2 -","- C88 H92 N4 O12 S8 -","4","2","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0368","0.0354","","","0.0914","0.093","","","","","","1.033","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121623","7.977","0.0005","15.2993","0.0008","18.0186","0.0011","90","","90","","90","","2199","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0949","0.0959","","","","","","1.042","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121624","13.8956","0.0012","16.1336","0.0014","16.6738","0.0014","78.941","0.001","78.141","0.002","65.151","0.002","3296.1","0.5","130","","130","","","","","","","","","8","P -1","-P 1","2","","","","- C70 H76 Ag Au2 Cl N2 O3 P2 -","- C70 H76 Ag Au2 Cl N2 O3 P2 -","- C140 H152 Ag2 Au4 Cl2 N4 O6 P4 -","2","1","","Zhang, Fan; Cao, Xiao-Ming; Wang, Jiwei; Jiao, Jiajun; Huang, Yongming; Shi, Min; Braunstein, Pierre; Zhang, Jun","A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes.","Chemical communications (Cambridge, England)","2018","54","45","5736","5739","10.1039/c8cc02192a","","","0.71073","MoKα","","0.0803","0.0427","","","0.0756","0.0866","","","","","","0.969","","","","has coordinates","228515","2020-10-21","18:00:00",""
"7121625","18.6441","0.0015","14.8478","0.0013","24.59","0.002","90","","107.238","0.002","90","","6501.3","0.9","130","","130","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 Au2 Br Cu N2 O P2 -","- C64 H64 Au2 Br Cu N2 O P2 -","- C256 H256 Au8 Br4 Cu4 N8 O4 P8 -","4","1","","Zhang, Fan; Cao, Xiao-Ming; Wang, Jiwei; Jiao, Jiajun; Huang, Yongming; Shi, Min; Braunstein, Pierre; Zhang, Jun","A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes.","Chemical communications (Cambridge, England)","2018","54","45","5736","5739","10.1039/c8cc02192a","","","0.71073","MoKα","","0.0735","0.0417","","","0.0861","0.0972","","","","","","1.027","","","","has coordinates,has disorder","228515","2020-10-21","18:00:00",""
"7121626","13.9827","0.0009","14.8116","0.0011","36.774","0.002","90","","90.166","0.003","90","","7616.1","0.9","130","","130","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H79 Au3 Cl0.25 N2 O P3 -","- C82 H79 Au3 Cl N2 O P3 -","- C328 H316 Au12 Cl4 N8 O4 P12 -","4","1","","Zhang, Fan; Cao, Xiao-Ming; Wang, Jiwei; Jiao, Jiajun; Huang, Yongming; Shi, Min; Braunstein, Pierre; Zhang, Jun","A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes.","Chemical communications (Cambridge, England)","2018","54","45","5736","5739","10.1039/c8cc02192a","","","1.54178","CuKα","","0.06","0.0509","","","0.139","0.1464","","","","","","1.06","","","","has coordinates","228515","2020-10-21","18:00:00",""
"7121627","6.7868","0.0006","8.5848","0.001","9.4383","0.0008","87.679","0.008","83.576","0.007","73.938","0.009","525.1","0.09","290.8","0.6","290.8","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C24 H24 O6 -","2","1","","Shen, Guo; Zhou, Wen-Jun; Zhang, Xiao-Bo; Cao, Guang-Mei; Zhang, Zhen; Ye, Jian-Heng; Liao, Li-Li; Li, Jing; Yu, Da-Gang","Synthesis of tetronic acids from propargylic alcohols and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","44","5610","5613","10.1039/c8cc03039a","","x-ray","0.71073","MoKα","","0.056","0.0479","","","0.1239","0.1337","","","","","","1.053","","","","has coordinates","228031","2020-10-21","18:00:00",""
"7121628","11.883","0.002","6.3386","0.0013","20.211","0.004","90","","92.61","0.03","90","","1520.7","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","","Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping","Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.","Chemical communications (Cambridge, England)","2018","54","46","5831","5834","10.1039/c8cc02743a","","","0.71073","MoKα","","0.109","0.0575","","","0.113","0.1359","","","","","","1.036","","","","has coordinates","228294","2020-10-21","18:00:00",""
"7121629","10.553","0.002","13.677","0.003","17.241","0.003","90","","93.47","0.03","90","","2483.9","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 N2 O4 Zn -","- C32 H22 N2 O4 Zn -","- C128 H88 N8 O16 Zn4 -","4","1","","Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping","Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.","Chemical communications (Cambridge, England)","2018","54","46","5831","5834","10.1039/c8cc02743a","","","0.71073","MoKα","","0.0408","0.0319","","","0.0772","0.0836","","","","","","1.062","","","","has coordinates","228294","2020-10-21","18:00:00",""
"7121630","10.502","0.002","11.871","0.002","13.571","0.003","94.67","0.03","108.33","0.03","104.03","0.03","1535.1","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N2 O8 Zn2 -","- C36 H22 N2 O8 Zn2 -","- C72 H44 N4 O16 Zn4 -","2","1","","Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping","Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.","Chemical communications (Cambridge, England)","2018","54","46","5831","5834","10.1039/c8cc02743a","","","0.71073","MoKα","","0.12","0.0526","","","0.0882","0.1071","","","","","","1.007","","","","has coordinates","228294","2020-10-21","18:00:00",""
"7121631","10.324","0.002","12.009","0.002","13.22","0.003","94.44","0.03","111.17","0.03","97.2","0.03","1503","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N2 O8 Zn2 -","- C36 H22 N2 O8 Zn2 -","- C72 H44 N4 O16 Zn4 -","2","1","","Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping","Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.","Chemical communications (Cambridge, England)","2018","54","46","5831","5834","10.1039/c8cc02743a","","","0.71073","MoKα","","0.0421","0.0313","","","0.0803","0.0865","","","","","","1.022","","","","has coordinates","228294","2020-10-21","18:00:00",""
"7121632","10.923","0.002","13.139","0.003","17.004","0.003","90","","94.47","0.03","90","","2432.9","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 N2 O4 Zn -","- C32 H22 N2 O4 Zn -","- C128 H88 N8 O16 Zn4 -","4","1","","Li, Ni-Ya; Liu, Dong; Abrahams, Brendan F.; Lang, Jian-Ping","Covalent switching, involving divinylbenzene ligands within 3D coordination polymers, indicated by changes in fluorescence.","Chemical communications (Cambridge, England)","2018","54","46","5831","5834","10.1039/c8cc02743a","","","0.71073","MoKα","","0.0931","0.077","","","0.1866","0.1973","","","","","","1.097","","","","has coordinates","228294","2020-10-21","18:00:00",""
"7121633","9.0951","0.0001","9.0951","0.0001","38.8243","0.0009","90","","90","","120","","2781.31","0.08","100","2","100","2","","","","","","","","3","P 65","P 65","170","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C132 H168 O24 -","6","1","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0274","0.0274","","","0.0754","0.0754","","","","","","1.016","","","","has coordinates,has disorder","228292","2020-10-21","18:00:00",""
"7121634","40.9654","0.001","8.6677","0.0002","9.9042","0.0002","90","","102.185","0.001","90","","3437.51","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C160 H192 O32 -","8","1","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0337","0.0305","","","0.0837","0.0861","","","","","","1.018","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121635","7.4984","0.0001","10.1051","0.0002","20.5483","0.0004","90","","90","","90","","1556.99","0.05","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","0.5","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0309","0.0295","","","0.0834","0.0846","","","","","","0.976","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121636","11.1202","0.0003","11.2585","0.0003","11.2577","0.0003","90","","99.472","0.002","90","","1390.21","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","0.5","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0308","0.0291","","","0.0763","0.0778","","","","","","0.98","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121637","48.377","0.002","7.5624","0.0003","21.0775","0.001","90","","90","","90","","7711.1","0.6","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C360 H400 O80 -","20","5","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0604","0.0573","","","0.1393","0.1411","","","","","","1.019","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121638","10.9041","0.0003","11.813","0.0003","15.392","0.0004","67.718","0.001","79.863","0.001","89.142","0.001","1803.04","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","2","","Ivanova, Lena V.; Navale, Tushar S.; Wang, Denan; Lindeman, Sergey; Ivanov, Maxim V.; Rathore, Rajendra","Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.","Chemical communications (Cambridge, England)","2018","54","46","5851","5854","10.1039/c8cc02595a","","","1.54178","CuKα","","0.0348","0.0332","","","0.0857","0.0868","","","","","","1.006","","","","has coordinates","228292","2020-10-21","18:00:00",""
"7121639","21.892","0.01","37.916","0.008","7.257","0.0015","90","","90","","90","","6024","3","125","2","125","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H0 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0837","0.0767","","","0.1922","0.1955","","","","","","1.057","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121640","21.851","0.004","37.882","0.013","7.246","0.0015","90","","90","","90","","5998","3","225","2","225","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.08","0.0729","","","0.1972","0.2007","","","","","","1.125","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121641","21.884","0.004","37.906","0.013","7.253","0.0015","90","","90","","90","","6017","3","150","2","150","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0828","0.0754","","","0.195","0.1985","","","","","","1.082","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121642","21.841","0.01","37.87","0.008","7.246","0.0015","90","","90","","90","","5993","3","250","2","250","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0807","0.0731","","","0.2029","0.2068","","","","","","1.142","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121643","21.86","0.004","37.89","0.013","7.248","0.0015","90","","90","","90","","6003","3","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.71073","MoKα","","0.0816","0.0741","","","0.1972","0.2007","","","","","","1.084","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121644","21.872","0.01","37.897","0.008","7.25","0.0015","90","","90","","90","","6009","3","175","2","175","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C24 H12 In3 O15 -","- C24 H12 In3 O15 -","- C96 H48 In12 O60 -","4","0.25","","Liu, Zhanning; Li, Qiang; Zhu, He; Lin, Kun; Deng, Jinxia; Chen, Jun; Xing, Xianran","3D negative thermal expansion in orthorhombic MIL-68(In).","Chemical communications (Cambridge, England)","2018","54","45","5712","5715","10.1039/c8cc03219j","","","0.72","MoKα","","0.0826","0.0751","","","0.1942","0.1976","","","","","","1.073","","","","has coordinates","228518","2020-10-21","18:00:00",""
"7121645","10.0388","0.0005","11.4072","0.0006","15.5551","0.0009","92.9312","0.0019","90.6096","0.0018","94.4168","0.0018","1773.48","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H45 Cl6 N2 P Pt Ru -","- C30 H45 Cl6 N2 P Pt Ru -","- C60 H90 Cl12 N4 P2 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0165","0.0149","","","0.0334","0.0339","","","","","","1.098","","","","has coordinates","228520","2020-10-21","18:00:00",""
"7121646","9.4929","0.0004","13.9948","0.0005","14.1277","0.0006","110.137","0.0013","105.007","0.0014","92.6871","0.0014","1682.79","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H53 Cl2 N2 O5 P Pt -","- C28 H53 Cl2 N2 O5 P Pt -","- C56 H106 Cl4 N4 O10 P2 Pt2 -","2","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0193","0.0164","","","0.0375","0.0383","","","","","","1.073","","","","has coordinates","228520","2020-10-21","18:00:00",""
"7121647","9.674","0.002","10.329","0.002","15.976","0.003","90.696","0.008","106.253","0.007","99.069","0.007","1510.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H45 Cl2 N2 O P Pt -","- C28 H45 Cl2 N2 O P Pt -","- C56 H90 Cl4 N4 O2 P2 Pt2 -","2","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0271","0.0218","","","0.0513","0.0532","","","","","","1.052","","","","has coordinates","228520","2020-10-21","18:00:00",""
"7121648","15.8062","0.0007","16.5261","0.0007","19.3331","0.0007","90","","91.648","0.002","90","","5048","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H81 Cl4 O P3 Pt Ru -","- C44 H81 Cl4 O P3 Pt Ru -","- C176 H324 Cl16 O4 P12 Pt4 Ru4 -","4","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0509","0.0394","","","0.1005","0.1076","","","","","","1.077","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121649","12.9504","0.0015","14.9184","0.0018","20.154","0.002","104.998","0.004","99.652","0.004","97.274","0.005","3648.3","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H98 B Cl2 N3 P2 Pt Ru -","- C79 H98 B Cl2 N3 P2 Pt Ru -","- C158 H196 B2 Cl4 N6 P4 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.043","0.0334","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","228520","2020-10-21","18:00:00",""
"7121650","18.9","0.0009","21.5155","0.0009","16.337","0.0013","90","","120.935","0.0016","90","","5698.3","0.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H44 Cl4 P4 Pt Ru -","- C51 H44 Cl4 P4 Pt Ru -","- C204 H176 Cl16 P16 Pt4 Ru4 -","4","0.5","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0328","0.0263","","","0.0597","0.0627","","","","","","1.066","","","","has coordinates","228520","2020-10-21","18:00:00",""
"7121651","16.7297","0.001","19.5656","0.001","21.1868","0.0013","90","","94.149","0.003","90","","6916.8","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H75.5 Cl21.5 N P2 Ru -","- C51.5 H75.5 Cl21.5 N P2 Ru -","- C206 H302 Cl86 N4 P8 Ru4 -","4","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0592","0.0493","","","0.109","0.1139","","","","","","1.094","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121652","14.6472","0.0006","19.8469","0.0008","21.394","0.0008","90","","97.1342","0.0018","90","","6171.1","0.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H96.5 Cl4 N1.5 P4 Pt Ru -","- C54 H96.5 Cl4 N1.5 P4 Pt Ru -","- C216 H386 Cl16 N6 P16 Pt4 Ru4 -","4","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0368","0.0255","","","0.0538","0.0566","","","","","","1.049","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121653","14.4348","0.0007","11.4929","0.0006","27.5886","0.0014","90","","104.657","0.0019","90","","4427.9","0.4","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl13 N4 O P Pt Ru -","- C28 H46 Cl13 N4 O P Pt Ru -","- C112 H184 Cl52 N16 O4 P4 Pt4 Ru4 -","4","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0344","0.0279","","","0.0618","0.0652","","","","","","1.024","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121654","28.4392","0.0009","28.4392","0.0009","13.8884","0.0005","90","","90","","120","","9727.9","0.6","120","2","120","2","","","","","","","","7","P -3","-P 3","147","","","","- C56.33 H80.33 Cl7.33 N3 P2 Pt Ru -","- C56.3333 H80.3333 Cl7.33333 N3 P2 Pt Ru -","- C338 H482 Cl44 N18 P12 Pt6 Ru6 -","6","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0444","0.0337","","","0.0813","0.0874","","","","","","1.067","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121655","13.1006","0.0005","13.1671","0.0006","18.1048","0.0008","72.0661","0.0015","72.0477","0.0015","63.5052","0.0014","2605.1","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C55.16 H52.08 Cl5.23 N O0.38 P4 Pt Ru -","- C55.155 H52.08 Cl5.23 N O0.385 P4 Pt Ru -","- C110.31 H104.16 Cl10.46 N2 O0.77 P8 Pt2 Ru2 -","2","1","","Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper","Synthons for carbide complex chemistry.","Chemical communications (Cambridge, England)","2018","54","45","5708","5711","10.1039/c8cc03596b","","","0.71073","MoKα","","0.0291","0.0252","","","0.0466","0.0478","","","","","","1.128","","","","has coordinates,has disorder","228520","2020-10-21","18:00:00",""
"7121656","13.3889","0.0003","13.8983","0.0003","29.7778","0.0007","97.621","0.001","100.29","0.001","93.583","0.001","5382.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H60 B12 F60 N O12 -","- C100 H60 B12 F60 N O12 -","- C200 H120 B24 F120 N2 O24 -","2","1","","Wixtrom, Alex I.; Parvez, Zeeshan A.; Savage, Miles D.; Qian, Elaine A.; Jung, Dahee; Khan, Saeed I.; Rheingold, Arnold L.; Spokoyny, Alexander M.","Tuning the electrochemical potential of perfunctionalized dodecaborate clusters through vertex differentiation.","Chemical communications (Cambridge, England)","2018","54","46","5867","5870","10.1039/c8cc03477j","","","1.54178","CuKα","","0.0712","0.0481","","","0.1276","0.1357","","","","","","1.051","","","","has coordinates,has disorder","228293","2020-10-21","18:00:00",""
"7121657","14.125","0.0003","27.2616","0.0005","29.4644","0.0006","110.44","0.001","91.699","0.001","97.139","0.001","10516.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H58 B12 F55 N2 O13 -","- C93 H58 B12 F55 N2 O13 -","- C372 H232 B48 F220 N8 O52 -","4","2","","Wixtrom, Alex I.; Parvez, Zeeshan A.; Savage, Miles D.; Qian, Elaine A.; Jung, Dahee; Khan, Saeed I.; Rheingold, Arnold L.; Spokoyny, Alexander M.","Tuning the electrochemical potential of perfunctionalized dodecaborate clusters through vertex differentiation.","Chemical communications (Cambridge, England)","2018","54","46","5867","5870","10.1039/c8cc03477j","","","0.71073","MoKα","","0.1376","0.0857","","","0.2226","0.2595","","","","","","1.033","","","","has coordinates,has disorder","228293","2020-10-21","18:00:00",""
"7121658","13.04","0.004","17.682","0.006","20.467","0.007","90","","99.613","0.007","90","","4653","3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H39 B F15 O2 P -","- C52 H39 B F15 O2 P -","- C208 H156 B4 F60 O8 P4 -","4","1","","Liu, Liu Leo; Cao, Levy L.; Zhu, Diya; Zhou, Jiliang; Stephan, Douglas W.","Homolytic cleavage of peroxide bonds via a single electron transfer of a frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","54","7431","7434","10.1039/c8cc03522a","","","0.71073","MoKα","","0.1141","0.0589","","","0.1448","0.1762","","","","","","0.996","","","","has coordinates","228558","2020-10-21","18:00:00",""
"7121659","12.6688","0.0009","18.7187","0.0014","20.0531","0.0014","90.811","0.003","91.169","0.003","97.947","0.003","4708.1","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.67 H25.33 B0.67 Br0.67 F10 O1.33 P0.67 -","- C34.6667 H25.3333 B0.666667 Br0.666667 F10 O1.33333 P0.666667 -","- C208 H152 B4 Br4 F60 O8 P4 -","6","3","","Liu, Liu Leo; Cao, Levy L.; Zhu, Diya; Zhou, Jiliang; Stephan, Douglas W.","Homolytic cleavage of peroxide bonds via a single electron transfer of a frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","54","7431","7434","10.1039/c8cc03522a","","","0.71073","MoKα","","0.1699","0.0636","","","0.1348","0.1642","","","","","","0.982","","","","has coordinates","228558","2020-10-21","18:00:00",""
"7121660","12.4203","0.0012","20.1153","0.0017","18.9334","0.0018","90","","97.534","0.003","90","","4689.4","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.33 H27.33 B0.67 F10 O1.33 P0.67 -","- C35.3333 H27.3333 B0.666667 F10 O1.33333 P0.666667 -","- C212 H164 B4 F60 O8 P4 -","6","1.5","","Liu, Liu Leo; Cao, Levy L.; Zhu, Diya; Zhou, Jiliang; Stephan, Douglas W.","Homolytic cleavage of peroxide bonds via a single electron transfer of a frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","54","7431","7434","10.1039/c8cc03522a","","","0.71073","MoKα","","0.1275","0.0429","","","0.0873","0.1135","","","","","","0.982","","","","has coordinates,has disorder","228558","2020-10-21","18:00:00",""
"7121661","24.9906","0.00014","24.9906","0.00014","20.6467","0.0002","90","","90","","90","","12894.5","0.16","125","","125","","","","","","","","","6","I -4","I -4","82","","","","- C56 H63 F18 N8 P3 Ru -","- C56 H63 F18 N8 P3 Ru -","- C448 H504 F144 N64 P24 Ru8 -","8","1","","Rota Martir, Diego; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Warriner, Stuart L.; Zysman-Colman, Eli","A luminescent [Pd<sub>4</sub>Ru<sub>8</sub>]<sup>24+</sup> supramolecular cage.","Chemical communications (Cambridge, England)","2018","54","47","6016","6019","10.1039/c8cc02104j","","","1.54187","CuKα","","0.0694","0.0664","","","0.1859","0.1906","","","","","","1.047","","","","has coordinates","228331","2020-10-21","18:00:00",""
"7121662","26.7344","0.0007","26.7344","0.0007","51.852","0.002","90","","90","","90","","37060","2","173","","173","","","","","","","","","7","P 4/m n c","-P 4 2n","128","","","","- C448 H496 F144 N64 P24 Pd4 Ru8 -","- C448 H496 F24 N64 P4 Pd4 Ru8 -","- C896 H992 F48 N128 P8 Pd8 Ru16 -","2","0.125","","Rota Martir, Diego; Cordes, David B.; Slawin, Alexandra M. Z.; Escudero, Daniel; Jacquemin, Denis; Warriner, Stuart L.; Zysman-Colman, Eli","A luminescent [Pd<sub>4</sub>Ru<sub>8</sub>]<sup>24+</sup> supramolecular cage.","Chemical communications (Cambridge, England)","2018","54","47","6016","6019","10.1039/c8cc02104j","","","1.54187","CuKα","","0.2856","0.1203","","","0.2993","0.3675","","","","","","1.26","","","","has coordinates","228331","2020-10-21","18:00:00",""
"7121663","13.6107","0.0005","19.3024","0.0005","19.5658","0.0007","90","","90","","90","","5140.3","0.3","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl2 O2 P4 Rh2 Si2 -","- C50 H54 Cl2 O2 P4 Rh2 Si2 -","- C200 H216 Cl8 O8 P16 Rh8 Si8 -","4","1","","Newland, Robert J.; Lynam, Jason M.; Mansell, Stephen M.","Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls.","Chemical communications (Cambridge, England)","2018","54","43","5482","5485","10.1039/c8cc01880d","","","0.71073","MoKα","","0.035","0.028","","","0.0504","0.0523","","","","","","1.024","","","","has coordinates,has disorder","228126","2020-10-21","18:00:00",""
"7121664","13.2396","0.0004","14.6179","0.0004","18.0412","0.0005","98.298","0.002","102.651","0.002","110.657","0.003","3092.5","0.18","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C61 H48 B F24 P2 Rh Si -","- C61 H48 B F24 P2 Rh Si -","- C122 H96 B2 F48 P4 Rh2 Si2 -","2","1","","Newland, Robert J.; Lynam, Jason M.; Mansell, Stephen M.","Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls.","Chemical communications (Cambridge, England)","2018","54","43","5482","5485","10.1039/c8cc01880d","","x-ray","0.71073","MoKα","","0.0695","0.055","","","0.1258","0.134","","","","","","1.024","","","","has coordinates,has disorder","228126","2020-10-21","18:00:00",""
"7121665","9.435","0.002","27.598","0.006","10.589","0.003","90","","105.636","0.014","90","","2655.2","1.1","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H49 B F20 Mg N4 O2 -","- C53 H49 B F20 Mg N4 O2 -","- C106 H98 B2 F40 Mg2 N8 O4 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex; Venugopal, Ajay","A disguised hydride in a butylmagnesium cation.","Chemical communications (Cambridge, England)","2018","54","45","5788","5791","10.1039/c8cc03127d","","","0.71073","MoKα","","0.1136","0.0574","","","0.1264","0.1488","","","","","","0.945","","","","has coordinates","228517","2020-10-21","18:00:00",""
"7121666","12.2624","0.0004","22.472","0.0007","15.7828","0.0006","90","","92.505","0.001","90","","4345","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C82 H78 B2 F40 Mg2 N8 O4 -","- C82 H78 B2 F40 Mg2 N8 O4 -","- C164 H156 B4 F80 Mg4 N16 O8 -","2","0.5","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex; Venugopal, Ajay","A disguised hydride in a butylmagnesium cation.","Chemical communications (Cambridge, England)","2018","54","45","5788","5791","10.1039/c8cc03127d","","","0.71073","MoKα","","0.1286","0.044","","","0.0699","0.0853","","","","","","0.805","","","","has coordinates","228517","2020-10-21","18:00:00",""
"7121667","12.305","0.003","12.709","0.003","15.464","0.003","69.721","0.008","70.14","0.008","83.743","0.008","2133.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H39 B F20 Mg N4 -","- C40 H39 B F20 Mg N4 -","- C80 H78 B2 F40 Mg2 N8 -","2","1","","Banerjee, Sumanta; Ankur, ?; Andrews, Alex; Venugopal, Ajay","A disguised hydride in a butylmagnesium cation.","Chemical communications (Cambridge, England)","2018","54","45","5788","5791","10.1039/c8cc03127d","","","0.71073","MoKα","","0.0515","0.0354","","","0.0848","0.095","","","","","","1.02","","","","has coordinates","228517","2020-10-21","18:00:00",""
"7121668","8.1072","0.0016","10.316","0.002","18.661","0.004","85.33","0.03","85.74","0.03","82.69","0.03","1539.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H9 B F2 I N O2 -","- C16 H9 B F2 I N O2 -","- C64 H36 B4 F8 I4 N4 O8 -","4","2","","Tao, Yi-Chen; Li, Zhi-Zhou; Wang, Xue-Dong; Xiao, Lu; Fu, Hongbing; Liao, Liang-Sheng","Fluorescence/phosphorescence-conversion in self-assembled organic microcrystals.","Chemical communications (Cambridge, England)","2018","54","46","5895","5898","10.1039/c8cc01791c","","","0.71073","MoKα","","0.0801","0.072","","","0.1203","0.1247","","","","","","1.23","","","","has coordinates","228290","2020-10-21","18:00:00",""
"7121669","8.075","0.004","8.096","0.004","13.744","0.006","94.419","0.012","104.016","0.011","113.589","0.011","783.5","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 Cl N2 O -","- C18 H17 Cl N2 O -","- C36 H34 Cl2 N4 O2 -","2","1","","Fan, Zhoulong; Lu, Heng; Cheng, Zhen; Zhang, Ao","Ligand-promoted ruthenium-catalyzed meta C-H chlorination of arenes using N-chloro-2,10-camphorsultam.","Chemical communications (Cambridge, England)","2018","54","47","6008","6011","10.1039/c8cc03195a","","","0.71073","MoKα","","0.1652","0.0813","","","0.1859","0.2399","","","","","","0.966","","","","has coordinates,has disorder","228332","2020-10-21","18:00:00",""
"7121670","13.886","0.012","14.758","0.012","6.953","0.006","90","","102.04","0.02","90","","1394","2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N4 -","- C15 H15 Cl N4 -","- C60 H60 Cl4 N16 -","4","1","","Fan, Zhoulong; Lu, Heng; Cheng, Zhen; Zhang, Ao","Ligand-promoted ruthenium-catalyzed meta C-H chlorination of arenes using N-chloro-2,10-camphorsultam.","Chemical communications (Cambridge, England)","2018","54","47","6008","6011","10.1039/c8cc03195a","","","0.71073","MoKα","","0.1804","0.0929","","","0.2002","0.2382","","","","","","0.925","","","","has coordinates","228332","2020-10-21","18:00:00",""
"7121671","14.2908","0.0011","8.8234","0.0007","15.2802","0.0012","90","","101.799","0.002","90","","1886","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F6 N2 O8 Ru2 -","- C12 H6 F6 N2 O8 Ru2 -","- C48 H24 F24 N8 O32 Ru8 -","4","1","","Fan, Zhoulong; Lu, Heng; Cheng, Zhen; Zhang, Ao","Ligand-promoted ruthenium-catalyzed meta C-H chlorination of arenes using N-chloro-2,10-camphorsultam.","Chemical communications (Cambridge, England)","2018","54","47","6008","6011","10.1039/c8cc03195a","","","0.71073","MoKα","","0.047","0.0352","","","0.0766","0.0821","","","","","","0.99","","","","has coordinates,has disorder","228332","2020-10-21","18:00:00",""
"7121672","8.8812","0.0004","17.0462","0.0007","11.8893","0.0005","90","","96.1423","0.0013","90","","1789.6","0.13","100","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br2 Co N4 O -","- C17 H16 Br2 Co N4 O -","- C68 H64 Br8 Co4 N16 O4 -","4","1","","Shee, Sujan; Ganguli, Kasturi; Jana, Kalipada; Kundu, Sabuj","Cobalt complex catalyzed atom-economical synthesis of quinoxaline, quinoline and 2-alkylaminoquinoline derivatives.","Chemical communications (Cambridge, England)","2018","54","50","6883","6886","10.1039/c8cc02366b","","","0.71073","MoKα","","0.0228","0.0197","","","0.0448","0.046","","","","","","1.0321","","","","has coordinates","228312","2020-10-21","18:00:00",""
"7121673","18.8856","0.0004","8.5457","0.0002","15.9422","0.0003","90","","107.321","0.001","90","","2456.24","0.09","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br P -","- C30 H28 Br P -","- C120 H112 Br4 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.1084","0.0703","","","0.123","0.1439","","","","","","1.122","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121674","22.7843","0.0003","8.4334","0.0002","27.6135","0.0005","90","","113.888","0.001","90","","4851.4","0.16","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C59 H46 B F10 P -","- C59 H46 B F10 P -","- C236 H184 B4 F40 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.1433","0.0822","","","0.1328","0.1584","","","","","","1.1","","","","has coordinates,has disorder","228497","2020-10-21","18:00:00",""
"7121675","11.8477","0.0004","12.3022","0.0003","14.0634","0.0005","67.621","0.002","72.281","0.002","67.99","0.002","1725.74","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 B F10 P -","- C42 H30 B F10 P -","- C84 H60 B2 F20 P2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.1061","0.0816","","","0.1895","0.2147","","","","","","1.076","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121676","13.0923","0.0002","11.9735","0.0002","24.9266","0.0005","90","","98.327","0.001","90","","3866.32","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H36 B F10 P -","- C47 H36 B F10 P -","- C188 H144 B4 F40 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.0868","0.0625","","","0.1231","0.139","","","","","","1.083","","","","has coordinates,has disorder","228497","2020-10-21","18:00:00",""
"7121677","20.1789","0.0011","14.4682","0.0008","23.7982","0.0013","90","","98.115","0.002","90","","6878.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 B F10 O2 P -","- C42 H28 B F10 O2 P -","- C336 H224 B8 F80 O16 P8 -","8","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.0542","0.0398","","","0.094","0.1018","","","","","","1.024","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121678","41.3837","0.0018","8.811","0.0004","24.2497","0.001","90","","96.346","0.002","90","","8788","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 B F10 P -","- C54 H42 B F10 P -","- C432 H336 B8 F80 P8 -","8","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","1.54178","CuKα","","0.0599","0.0426","","","0.1006","0.1084","","","","","","1.049","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121679","11.6758","0.0002","12.5018","0.0002","19.7217","0.0004","90.855","0.001","106.41","0.001","104.165","0.001","2666.56","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H48 B F10 N2 P -","- C53 H48 B F10 N2 P -","- C106 H96 B2 F20 N4 P2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.0778","0.0643","","","0.1555","0.1639","","","","","","1.032","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121680","11.5136","0.0005","14.6603","0.0006","16.4813","0.0006","77.324","0.001","70.587","0.001","67.496","0.001","2410.36","0.17","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 B Cl6 F10 P -","- C50 H40 B Cl6 F10 P -","- C100 H80 B2 Cl12 F20 P2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.0691","0.0512","","","0.1208","0.1314","","","","","","1.013","","","","has coordinates,has disorder","228497","2020-10-21","18:00:00",""
"7121681","13.3724","0.0003","14.8949","0.0003","23.4627","0.0005","75.958","0.001","83.414","0.001","65.374","0.001","4120.83","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 B F10 P -","- C50 H34 B F10 P -","- C200 H136 B4 F40 P4 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","1.54178","CuKα","","0.0612","0.0435","","","0.1063","0.1139","","","","","","1.062","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121682","14.5964","0.0003","18.8664","0.0003","15.7176","0.0004","90","","104.493","0.001","90","","4190.6","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 B F10 P -","- C52 H38 B F10 P -","- C208 H152 B4 F40 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Selective formation of heterocyclic trans-cycloalkenes by alkyne addition to a biphenylene-based phosphane/borane frustrated Lewis pair.","Chemical communications (Cambridge, England)","2018","54","49","6344","6347","10.1039/c8cc03369b","","","0.71073","MoKα","","0.0651","0.0504","","","0.1186","0.1288","","","","","","1.025","","","","has coordinates","228497","2020-10-21","18:00:00",""
"7121683","14.7928","0.0015","12.1704","0.0012","24.504","0.002","90","","91.557","0.005","90","","4409.9","0.7","190","2","190.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H144 B12 Er2 P6 -","- C48 H144 B12 Er2 P6 -","- C96 H288 B24 Er4 P12 -","2","0.5","","Blake, Anastasia V.; Fetrow, Taylor V.; Theiler, Zachary J.; Vlaisavljevich, Bess; Daly, Scott R.","Homoleptic uranium and lanthanide phosphinodiboranates.","Chemical communications (Cambridge, England)","2018","54","44","5602","5605","10.1039/c8cc02862a","","","0.71073","MoKα","","0.1408","0.077","","","0.182","0.2011","","","","","","1.06","","","","has coordinates","228032","2020-10-21","18:00:00",""
"7121684","15.0395","0.0015","12.0078","0.0012","24.766","0.002","90","","90.114","0.005","90","","4472.5","0.7","190","2","190.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H154 B12 O P6 U2 -","- C52 H154 B12 O P6 U2 -","- C104 H308 B24 O2 P12 U4 -","2","0.5","","Blake, Anastasia V.; Fetrow, Taylor V.; Theiler, Zachary J.; Vlaisavljevich, Bess; Daly, Scott R.","Homoleptic uranium and lanthanide phosphinodiboranates.","Chemical communications (Cambridge, England)","2018","54","44","5602","5605","10.1039/c8cc02862a","","","0.71073","MoKα","","0.0659","0.051","","","0.1318","0.1386","","","","","","1.137","","","","has coordinates","228032","2020-10-21","18:00:00",""
"7121685","15.0204","0.0015","11.9884","0.0012","24.771","0.002","90","","90.05","0.005","90","","4460.5","0.7","190","2","190.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H154 B12 Nd2 O P6 -","- C52 H154 B12 Nd2 O P6 -","- C104 H308 B24 Nd4 O2 P12 -","2","0.5","","Blake, Anastasia V.; Fetrow, Taylor V.; Theiler, Zachary J.; Vlaisavljevich, Bess; Daly, Scott R.","Homoleptic uranium and lanthanide phosphinodiboranates.","Chemical communications (Cambridge, England)","2018","54","44","5602","5605","10.1039/c8cc02862a","","","0.71073","MoKα","","0.0941","0.0612","","","0.1604","0.1817","","","","","","1.04","","","","has coordinates","228032","2020-10-21","18:00:00",""
"7121686","8.7586","0.0018","12.203","0.003","19.973","0.004","91.534","0.004","96.604","0.004","90.138","0.004","2119.8","0.8","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 F N O2 S -","- C23 H25.775 F N O2 S -","- C92 H103.1 F4 N4 O8 S4 -","4","2","","Zhu, Xin-Qi; Sun, Qing; Zhang, Zhi-Xin; Zhou, Bo; Xie, Pei-Xi; Shen, Wen-Bo; Lu, Xin; Zhou, Jin-Mei; Ye, Long-Wu","Zinc-catalyzed reaction of isoxazoles with thioynol ethers involving an unprecedented 1,2-sulfur migration.","Chemical communications (Cambridge, England)","2018","54","54","7435","7438","10.1039/c8cc03140a","","","0.71073","MoKα","","0.1216","0.096","","","0.2493","0.2668","","","","","","1.081","","","","has coordinates,has disorder","228563","2020-10-21","18:00:00",""
"7121687","12.331","0.003","10.794","0.003","15.681","0.004","90","","109.944","0.004","90","","1962","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 B4 O8 -","- C40 H54 B4 O8 -","- C80 H108 B8 O16 -","2","0.5","","Wakchaure, Vivek C.; Ranjeesh, Kayaramkodath C.; Goudappagouda, ?; Das, Tamal; Vanka, Kumar; Gonnade, Rajesh; Babu, Sukumaran S.","Mechano-responsive room temperature luminescence variations of boron conjugated pyrene in air.","Chemical communications (Cambridge, England)","2018","54","47","6028","6031","10.1039/c8cc03494j","","","0.71073","MoKα","","0.1606","0.0973","","","0.2009","0.2333","","","","","","1.051","","","","has coordinates","228323","2020-10-21","18:00:00",""
"7121688","27.6042","0.0012","27.6042","0.0012","27.6042","0.0012","90","","90","","90","","21034.2","1.6","100.25","","100.25","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C336 H Np24 O184 -","- C336 H48 Np24 O184 -","- C336 H48 Np24 O184 -","1","0.00520833","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.0348","0.0321","","","0.1081","0.1114","","","","","","1.248","","","","has coordinates,has disorder","228013","2020-10-21","18:00:00",""
"7121689","15.345","0.0007","11.4621","0.0004","13.3406","0.0006","90","","101.43","0.001","90","","2299.89","0.17","297.31","","297.31","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 Np O10 -","- C22 H22 N2 Np O10 -","- C88 H88 N8 Np4 O40 -","4","0.5","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.0435","0.0329","","","0.0507","0.0525","","","","","","1.13","","","","has coordinates","228013","2020-10-21","18:00:00",""
"7121690","27.9879","0.0011","27.9879","0.0011","27.9879","0.0011","90","","90","","90","","21923.6","1.5","296.15","","296.15","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C168 O70 Th12 -","- C168 O70 Th12 -","- C336 O140 Th24 -","2","0.0104167","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.0902","0.0623","","","0.1955","0.21","","","","","","1.255","","","","has coordinates,has disorder","228013","2020-10-21","18:00:00",""
"7121691","27.996","0.0015","27.996","0.0015","27.996","0.0015","90","","90","","90","","21943","2","299.18","","299.18","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C168 O70 Th12 -","- C168 O70 Th12 -","- C336 O140 Th24 -","2","0.0104167","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.0611","0.0445","","","0.1371","0.1508","","","","","","1.302","","","","has coordinates,has disorder","228013","2020-10-21","18:00:00",""
"7121692","33.3917","0.0009","33.3917","0.0009","33.3917","0.0009","90","","90","","90","","37231.9","1.7","100","2","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C192 Np12 O76 -","- C192 Np12 O76 -","- C384 Np24 O152 -","2","0.0104167","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.084","0.0643","","","0.1864","0.2113","","","","","","1.074","","","","has coordinates,has disorder","228013","2020-10-21","18:00:00",""
"7121693","27.5467","0.0012","27.5467","0.0012","27.5467","0.0012","90","","90","","90","","20903","1.6","100","","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C168 Np12 O86 -","- C168 Np12 O86 -","- C336 Np24 O172 -","2","0.0104167","","Martin, N. P.; März, J; Feuchter, H.; Duval, S.; Roussel, P.; Henry, N.; Ikeda-Ohno, A; Loiseau, T.; Volkringer, C.","Synthesis and structural characterization of the first neptunium based metal-organic frameworks incorporating {Np<sub>6</sub>O<sub>8</sub>} hexanuclear clusters.","Chemical communications (Cambridge, England)","2018","54","51","6979","6982","10.1039/c8cc03121e","","x-ray","0.71073","MoKα","","0.038","0.0352","","","0.1178","0.1212","","","","","","1.259","","","","has coordinates,has disorder","228013","2020-10-21","18:00:00",""
"7121694","5.097","0.002","11.161","0.005","20.474","0.01","76.969","0.009","86.696","0.011","84.67","0.012","1129","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","- C43 H39 N6 O12 S2 -","1","0.5","","Chen, Cheng; Xiang, Yang; Liu, Ya; Hu, Xiangdong; Yang, Ke-Wu","Mercaptoacetate thioesters and their hydrolysate mercaptoacetic acids jointly inhibit metallo-β-lactamase L1.","MedChemComm","2018","9","7","1172","1177","10.1039/c8md00091c","","","0.71073","MoKα","","0.3012","0.2141","","","0.4191","0.4764","","","","","","1.187","","","","has coordinates","230137","2020-10-21","18:00:00",""
"7121695","12.195","0.004","12.807","0.005","30.751","0.009","90","","90","","90","","4803","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 B2 N2 S2 -","- C28 H20 B2 N2 S2 -","- C224 H160 B16 N16 S16 -","8","2","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.3509","0.1251","","","0.2319","0.3282","","","","","","0.981","","","","has coordinates","228554","2020-10-21","18:00:00",""
"7121696","13.257","0.004","8.073","0.002","13.405","0.003","90","","104.92","0.03","90","","1386.3","0.7","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H20 B2 N2 O S2 -","- C28 H20 B2 N2 O S2 -","- C56 H40 B4 N4 O2 S4 -","2","1","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.1382","0.1045","","","0.2953","0.3326","","","","","","1.212","","","","has coordinates,has disorder","228554","2020-10-21","18:00:00",""
"7121697","7.742","0.002","14.293","0.005","25.54","0.007","90","","90","","90","","2826.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 B2 Cl2 N2 -","- C33 H26 B2 Cl2 N2 -","- C132 H104 B8 Cl8 N8 -","4","1","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.1952","0.0954","","","0.252","0.3313","","","","","","0.931","","","","has coordinates,has disorder","228554","2020-10-21","18:00:00",""
"7121698","14.8982","0.0002","5.9496","0.0001","21.2447","0.0003","90","","97.139","0.001","90","","1868.5","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Zhou, Meng-Guang; Dai, Rui-Han; Tian, Shi-Kai","Nucleophilic addition of tertiary propargylic amines to arynes followed by a [2,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2018","54","47","6036","6039","10.1039/c8cc02176g","","","1.54184","CuKα","","0.0684","0.0632","","","0.1837","0.1895","","","","","","1.074","","","","has coordinates","228324","2020-10-21","18:00:00",""
"7121699","6.9069","0.0003","6.9069","0.0003","3.8028","0.0004","90","","90","","120","","157.109","0.019","150","2","150","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Ba2 H3 N O6 -","- Ba2 H3 N O6 -","- Ba2 H3 N O6 -","1","0.0833333","","Dong, Xuehua; Huang, Ling; Liu, Qingyu; Zeng, Hongmei; Lin, Zhien; Xu, Dingguo; Zou, Guohong","Perfect balance harmony in Ba<sub>2</sub>NO<sub>3</sub>(OH)<sub>3</sub>: a beryllium-free nitrate as a UV nonlinear optical material.","Chemical communications (Cambridge, England)","2018","54","45","5792","5795","10.1039/c8cc03007c","","","0.71073","MoKα","","0.0054","0.0054","","","0.0129","0.0129","","","","","","0.968","","","","has coordinates","228516","2020-10-21","18:00:00",""
"7121700","9.3068","0.0005","11.0204","0.0005","12.97","0.0006","76.267","0.004","79.407","0.004","66.841","0.005","1181.99","0.11","213","","213","","","","","","","","","6","P -1","-P 1","2","","tert-butyl 10-mesityl-5H-phenophosphazinine-5-carboxylate 10-sulfide","","- C26 H28 N O2 P S -","- C26 H28 N O2 P S -","- C52 H56 N2 O4 P2 S2 -","2","1","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.0503","0.0483","","","0.1335","0.1354","","","","","","1.038","","","","has coordinates","207873","2020-10-21","18:00:00",""
"7121701","31.7603","","31.7603","","11.0024","","90","","90","","90","","11098.3","","93","","93","","","","","","","","","5","P 4/n","-P 4a","85","","5,5'-(dibenzo[a,j]phenazine-3,11-diyl)bis(10-mesityl-5H-phenophosphazinine 10-sulfide)","","- C62 H48 N4 P2 S2 -","- C62 H48 N4 P2 S2 -","- C496 H384 N32 P16 S16 -","8","","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.4462","0.4009","","","0.7201","0.7411","","","","","","2.077","","","","has coordinates","207873","2020-10-21","18:00:00",""
"7121702","12.1594","0.00013","8.63342","0.00008","16.6826","0.00016","90","","95.5524","0.0009","90","","1743.08","0.03","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-mesityl-5H-phenophosphazinine 10-sulfide","","- C21 H20 N P S -","- C21 H20 N P S -","- C84 H80 N4 P4 S4 -","4","1","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.0345","0.0327","","","0.089","0.0905","","","","","","1.075","","","","has coordinates","207873","2020-10-21","18:00:00",""
"7121703","31.6082","0.0012","31.6082","0.0012","12.9408","0.0015","90","","90","","90","","12928.9","1.7","93","","93","","","","","","","","","6","P 42/n","-P 4bc","86","","5,5'-(dibenzo[a,j]phenazine-3,11-diyl)bis(10-mesityl-5H-phenophosphazinine 10-sulfide)","","- C64 H50 Cl6 N4 P2 S2 -","- C64 H50 Cl6 N4 P2 S2 -","- C512 H400 Cl48 N32 P16 S16 -","8","","","Takeda, Youhei; Kaihara, Takahito; Okazaki, Masato; Higginbotham, Heather; Data, Przemyslaw; Tohnai, Norimitsu; Minakata, Satoshi","Conformationally-flexible and moderately electron-donating units-installed D‒A‒D triad enabling multicolor-changing mechanochromic luminescence, TADF and room-temperature phosphorescence","Chemical Communications","2018","","","","","10.1039/C8CC02365D","","","1.54187","CuKα","","0.1125","0.0958","","","0.2739","0.2905","","","","","","1.044","","","","has coordinates","207873","2020-10-21","18:00:00",""
"7121704","35.034","0.007","10.393","0.002","17.979","0.004","90","","90","","90","","6546","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H72 N6 O3 -","- C74 H72 N6 O3 -","- C296 H288 N24 O12 -","4","1","","Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung","Foldamer-based helicate displaying reversible switching between two distinct conformers.","Chemical communications (Cambridge, England)","2018","54","45","5740","5743","10.1039/c8cc02758g","","","0.7","synchrotron","","0.1161","0.0818","","","0.2256","0.2451","","","","","","0.953","","","","has coordinates","228521","2020-10-21","18:00:00",""
"7121705","31.021","0.006","22.132","0.004","29.199","0.006","90","","119.15","0.03","90","","17508","8","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H68 Cl2 N6 O Pd -","- C74 H68 Cl2 N6 O Pd -","- C592 H544 Cl16 N48 O8 Pd8 -","8","1","","Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung","Foldamer-based helicate displaying reversible switching between two distinct conformers.","Chemical communications (Cambridge, England)","2018","54","45","5740","5743","10.1039/c8cc02758g","","","0.7","synchrotron","","0.0835","0.0581","","","0.1639","0.1753","","","","","","1.034","","","","has coordinates","228521","2020-10-21","18:00:00",""
"7121706","16.792","0.002","23.687","0.002","39.551","0.003","73.077","0.002","84.189","0.003","81.24","0.004","14848","2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C148 H136 Cl4 N12 O2 Pd2 -","- C148 H136 Cl4 N12 O2 Pd2 -","- C592 H544 Cl16 N48 O8 Pd8 -","4","2","","Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung","Foldamer-based helicate displaying reversible switching between two distinct conformers.","Chemical communications (Cambridge, England)","2018","54","45","5740","5743","10.1039/c8cc02758g","","","0.8","synchrotron","","0.1448","0.0925","","","0.2418","0.2703","","","","","","1.052","","","","has coordinates,has disorder","228521","2020-10-21","18:00:00",""
"7121707","10.1815","0.0003","10.931","0.0003","11.5703","0.0003","110.912","0.003","92.099","0.002","98.047","0.002","1185.81","0.06","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H21 B2 F8 N O2 Pd3 -","- C23 H21 B2 F8 N O2 Pd3 -","- C46 H42 B4 F16 N2 O4 Pd6 -","2","1","","Sugawa, Tsuyoshi; Yamamoto, Koji; Murahashi, Tetsuro","Bimodal coordination of fused arenes to a Pd<sub>3</sub> cluster site.","Chemical communications (Cambridge, England)","2018","54","46","5875","5878","10.1039/c8cc02880j","","","0.71075","MoKα","","0.0367","0.0338","","","0.095","0.0967","","","","","","1.109","","","","has coordinates","228291","2020-10-21","18:00:00",""
"7121708","15.662","0.002","30.042","0.004","9.1348","0.0012","90","","90.782","0.003","90","","4297.7","1","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 B2 F8 N O P Pd4 -","- C46 H46 B2 F8 N O P Pd4 -","- C184 H184 B8 F32 N4 O4 P4 Pd16 -","4","1","","Sugawa, Tsuyoshi; Yamamoto, Koji; Murahashi, Tetsuro","Bimodal coordination of fused arenes to a Pd<sub>3</sub> cluster site.","Chemical communications (Cambridge, England)","2018","54","46","5875","5878","10.1039/c8cc02880j","","","0.71075","MoKα","","0.1892","0.0906","","","0.1969","0.2454","","","","","","0.961","","","","has coordinates","228291","2020-10-21","18:00:00",""
"7121709","10.6819","0.001","11.6177","0.0012","21.577","0.002","90","","100.429","0.003","90","","2633.5","0.4","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B2 F8 N Pd3 -","- C28 H23 B2 F8 N Pd3 -","- C112 H92 B8 F32 N4 Pd12 -","4","1","","Sugawa, Tsuyoshi; Yamamoto, Koji; Murahashi, Tetsuro","Bimodal coordination of fused arenes to a Pd<sub>3</sub> cluster site.","Chemical communications (Cambridge, England)","2018","54","46","5875","5878","10.1039/c8cc02880j","","","0.71075","MoKα","","0.0847","0.0679","","","0.16","0.1721","","","","","","1.066","","","","has coordinates","228291","2020-10-21","18:00:00",""
"7121710","18.3607","0.0014","14.2059","0.001","15.0826","0.0006","90","","102.778","0.006","90","","3836.6","0.4","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H34.5 B2 F8 N3.5 O Pd3 -","- C39 H33 B2 F8 N3 Pd3 -","- C156 H132 B8 F32 N12 Pd12 -","4","1","","Sugawa, Tsuyoshi; Yamamoto, Koji; Murahashi, Tetsuro","Bimodal coordination of fused arenes to a Pd<sub>3</sub> cluster site.","Chemical communications (Cambridge, England)","2018","54","46","5875","5878","10.1039/c8cc02880j","","","0.71075","MoKα","","0.1461","0.0971","","","0.223","0.2562","","","","","","1.067","","","","has coordinates","228291","2020-10-21","18:00:00",""
"7121711","11.4301","0.0002","11.9637","0.0002","13.1386","0.0002","87.895","0.001","84.249","0.001","88.71","0.001","1786.09","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","GeRu_dimer","GeRu_dimer","","- C38 H56 Ge2 Ru2 -","- C38 H56 Ge2 Ru2 -","- C76 H112 Ge4 Ru4 -","2","1","","Fujimori, Shiori; Mizuhata, Yoshiyuki; Tokitoh, Norihiro","Ru-Complexes of an anionic germabenzenyl ligand.","Chemical communications (Cambridge, England)","2018","54","58","8044","8047","10.1039/c8cc02845a","","","0.8","synchrotron","","0.0487","0.0444","","","0.1276","0.1303","","","","","","1.116","","","","has coordinates,has disorder","228116","2020-10-21","18:00:00",""
"7121712","12.3082","0.0002","13.0253","0.0002","19.5207","0.0003","74.599","0.002","89.993","0.001","71.829","0.002","2854.97","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","GeRu_trimer","GeRu_trimer","","- C60 H87 Ge3 Ru3 -","- C60 H87 Ge3 Ru3 -","- C120 H174 Ge6 Ru6 -","2","1","","Fujimori, Shiori; Mizuhata, Yoshiyuki; Tokitoh, Norihiro","Ru-Complexes of an anionic germabenzenyl ligand.","Chemical communications (Cambridge, England)","2018","54","58","8044","8047","10.1039/c8cc02845a","","","0.71073","MoKα","","0.0325","0.03","","","0.0797","0.0809","","","","","","1.113","","","","has coordinates","228116","2020-10-21","18:00:00",""
"7121713","8.872","0.002","9.054","0.003","13.255","0.004","90","","102.344","0.006","90","","1040.1","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Cu3 O15 P2 -","- C14 H18 Cu3 O15 P2 -","- C28 H36 Cu6 O30 P4 -","2","1","","Wang, Peng-Fei; Bao, Song-Song; Huang, Xin-Da; Akutagawa, T.; Zheng, Li-Min","Temperature controlled formation of polar copper phosphonates showing large dielectric anisotropy and a dehydration-induced switch from ferromagnetic to antiferromagnetic interactions.","Chemical communications (Cambridge, England)","2018","54","49","6276","6279","10.1039/c8cc02819b","","","0.71073","MoKα","","0.0323","0.0256","","","0.0549","0.0565","","","","","","1","","","","has coordinates","228498","2020-10-21","18:00:00",""
"7121714","22.65","0.003","8.8845","0.0011","8.9245","0.0011","90","","90","","90","","1795.9","0.4","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H12 Cu3 O12 P2 -","- C14 H12 Cu3 O12 P2 -","- C56 H48 Cu12 O48 P8 -","4","0.5","","Wang, Peng-Fei; Bao, Song-Song; Huang, Xin-Da; Akutagawa, T.; Zheng, Li-Min","Temperature controlled formation of polar copper phosphonates showing large dielectric anisotropy and a dehydration-induced switch from ferromagnetic to antiferromagnetic interactions.","Chemical communications (Cambridge, England)","2018","54","49","6276","6279","10.1039/c8cc02819b","","","0.71073","MoKα","","0.0494","0.0334","","","0.0721","0.0774","","","","","","1.004","","","","has coordinates","228498","2020-10-21","18:00:00",""
"7121715","15.0392","0.001","7.6824","0.0006","15.9139","0.0011","90","","91.082","0.005","90","","1838.3","0.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","GR1JM528C","","- C26 H28 -","- C26 H28 -","- C104 H112 -","4","1","","Alonso, José M; Quiroga, Sabela; Codony, Sandra; Turcu, Andreea L.; Barniol-Xicota, Marta; Pérez, Dolores; Guitián, Enrique; Vázquez, Santiago; Peña, Diego","Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene.","Chemical communications (Cambridge, England)","2018","54","47","5996","5999","10.1039/c8cc03188f","","x-ray","0.71073","MoKα","","0.1059","0.0684","","","0.1912","0.217","","","","","","1.074","","","","has coordinates","228326","2020-10-21","18:00:00",""
"7121716","9.5957","0.0002","12.2865","0.0003","13.243","0.0003","73.4435","0.0014","72.2898","0.0011","73.1598","0.0011","1389.97","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","GR1JM537C","","- C35 H33 Cl3 -","- C35 H33 Cl3 -","- C70 H66 Cl6 -","2","1","","Alonso, José M; Quiroga, Sabela; Codony, Sandra; Turcu, Andreea L.; Barniol-Xicota, Marta; Pérez, Dolores; Guitián, Enrique; Vázquez, Santiago; Peña, Diego","Palladium-catalyzed cocyclotrimerization of arynes with a pyramidalized alkene.","Chemical communications (Cambridge, England)","2018","54","47","5996","5999","10.1039/c8cc03188f","","x-ray","0.71073","MoKα","","0.0743","0.0472","","","0.1146","0.1279","","","","","","1.049","","","","has coordinates,has disorder","228326","2020-10-21","18:00:00",""
"7121717","12.5793","0.0008","15.7491","0.0008","16.7679","0.0013","116.322","0.006","93.693","0.006","106.969","0.005","2774.1","0.4","118","2","118","2","","","","","","","","4","P -1","-P 1","2","","Zr12_acetate_solvate","","- C51.2 H86.4 O71.2 Zr12 -","- C51.2 H86.4 O71.2 Zr12 -","- C51.2 H86.4 O71.2 Zr12 -","1","0.5","","Fidelli, Athena M.; Karadeniz, Bahar; Howarth, Ashlee J.; Huskić, Igor; Germann, Luzia S.; Halasz, Ivan; Etter, Martin; Moon, Su-Young; Dinnebier, Robert E.; Stilinović, Vladimir; Farha, Omar K.; Friščić, Tomislav; UŽarević, Krunoslav","Green and rapid mechanosynthesis of high-porosity NU- and UiO-type metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","51","6999","7002","10.1039/c8cc03189d","","","1.54184","CuKα","","0.0962","0.0657","","","0.1595","0.1855","","","","","","0.996","","","","has coordinates","228014","2020-10-21","18:00:00",""
"7121718","16.0037","0.0004","16.0037","0.0004","16.2833","0.0013","90","","90","","90","","4170.5","0.4","150","0.2","150","0.2","","","","","","","","5","I -4","I -4","82","","","","- C60 H92 N4 O36 Zr6 -","- C60 H92 N4 O36 Zr6 -","- C120 H184 N8 O72 Zr12 -","2","0.25","","Fidelli, Athena M.; Karadeniz, Bahar; Howarth, Ashlee J.; Huskić, Igor; Germann, Luzia S.; Halasz, Ivan; Etter, Martin; Moon, Su-Young; Dinnebier, Robert E.; Stilinović, Vladimir; Farha, Omar K.; Friščić, Tomislav; UŽarević, Krunoslav","Green and rapid mechanosynthesis of high-porosity NU- and UiO-type metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","51","6999","7002","10.1039/c8cc03189d","","","0.71073","MoKα","","0.0188","0.0163","","","0.0386","0.0389","","","","","","0.968","","","","has coordinates","228014","2020-10-21","18:00:00",""
"7121719","9.949","0.002","15.604","0.003","11.098","0.002","90","","104.703","0.004","90","","1666.5","0.6","113","","113","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0485","0.0389","","","0.0988","0.1047","","","","","","1.044","","","","has coordinates","230133","2020-10-21","18:00:00",""
"7121720","5.4568","0.0007","7.5939","0.0005","45.622","0.003","90","","90","","90","","1890.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0303","0.0298","","","0.0739","0.0743","","","","","","1.079","","","","has coordinates","230133","2020-10-21","18:00:00",""
"7121721","7.7635","0.0016","18.657","0.004","21.765","0.005","97.536","0.017","90.005","0.017","100.929","0.017","3067.6","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","TAR in manuscript","","","- C42 H32 N4 O -","- C42 H32 N4 O -","- C168 H128 N16 O4 -","4","2","","Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.","Synthesis and characterization of two different azarubrenes","Chemical Communications","2018","","","","","10.1039/C8CC01662C","","","1.54178","CuKα","","0.1773","0.1112","","","0.2634","0.3154","","","","","","1.077","","","","has coordinates,has disorder","207949","2020-10-21","18:00:00",""
"7121722","13.9299","0.0007","11.201","0.0005","18.2839","0.0009","90","","96.8662","0.0014","90","","2832.4","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DAR in manuscript","","","- C40 H26 N2 O2 -","- C40 H26 N2 O2 -","- C160 H104 N8 O8 -","4","1","","Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.","Synthesis and characterization of two different azarubrenes","Chemical Communications","2018","","","","","10.1039/C8CC01662C","","","0.71073","MoKα","","0.0638","0.0417","","","0.1007","0.1118","","","","","","1.058","","","","has coordinates","207949","2020-10-21","18:00:00",""
"7121723","29.9853","0.0018","29.9853","0.0018","14.2542","0.0009","90","","90","","90","","12816.2","1.4","200","2","200","2","","","","","","","","4","P 4/n","-P 4a","85","TARO2 in manuscript","","","- C38 H24 N4 O2 -","- C38 H24 N4 O2 -","- C608 H384 N64 O32 -","16","","","Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.","Synthesis and characterization of two different azarubrenes","Chemical Communications","2018","","","","","10.1039/C8CC01662C","","","0.71073","MoKα","","0.1398","0.0704","","","0.1774","0.2181","","","","","","1.042","","","","has coordinates","207949","2020-10-21","18:00:00",""
"7121724","7.0727","0.0007","8.2696","0.0008","11.855","0.001","90.402","0.007","106.039","0.007","97.605","0.008","659.84","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","DARO2 in manuscript","","","- C40 H26 N2 -","- C40 H26 N2 -","- C40 H26 N2 -","1","0.5","","Xie, Ghaozan; Hahn, Sebastian; Rominger, Frank -; Freudenberg, Jan; Bunz, Uwe H. F.","Synthesis and characterization of two different azarubrenes","Chemical Communications","2018","","","","","10.1039/C8CC01662C","","","1.54178","CuKα","","0.1016","0.0409","","","0.0859","0.098","","","","","","0.788","","","","has coordinates","207949","2020-10-21","18:00:00",""
"7121725","22.3483","0.0004","22.3483","0.0004","8.0031","0.0001","90","","90","","120","","3461.61","0.1","100.1","0.1","100","0.1","","","","","","","","5","R -3 :H","-R 3","148","pillar[6]pyridinium hexachloride salt hydrate","","","- C36 H36 Cl6 N6 O10 -","- C36 H36 Cl6 N6 O9.9996 -","- C108 H108 Cl18 N18 O29.9988 -","3","0.166667","","Kosiorek, Sandra; Butkiewicz, Helena; Danylyuk, Oksana; Sashuk, Volodymyr","Pillar[6]pyridinium: a hexagonally shaped molecular box that selectively recognizes multicharged anionic species.","Chemical communications (Cambridge, England)","2018","54","49","6316","6319","10.1039/c8cc03353f","","","1.54184","CuKα","","0.0401","0.04","","","0.1095","0.1096","","","","","","1.088","","","","has coordinates,has disorder","228495","2020-10-21","18:00:00",""
"7121726","4.8201","0.0015","7.003","0.002","26.028","0.008","90","","90","","90","","878.6","0.5","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","dibutylamine","Dibutylamine","","- C8 H19 N -","- C8 H19 N -","- C32 H76 N4 -","4","0.5","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0587","0.05","","","0.1683","0.1806","","","","","","1.026","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121727","4.856","0.004","7.056","0.006","36.24","0.03","90","","90","","90","","1241.7","1.8","100","2","100","2","","","","","","","","3","P b c m","-P 2c 2b","57","dihexylamine","dihexylamine","","- C12 H27 N -","- C12 H27 N -","- C48 H108 N4 -","4","0.5","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1049","0.0476","","","0.1136","0.1421","","","","","","0.994","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121728","8.0789","0.0019","15.538","0.004","13.319","0.003","90","","98.065","0.004","90","","1655.4","0.7","160","2","160","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","diethylamine","diethylamine","","- C4 H11 N -","- C4 H11 N -","- C48 H132 N12 -","12","1.5","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0549","0.043","","","0.1052","0.1149","","","","","","0.989","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121729","8.933","0.018","9.062","0.019","15.56","0.03","90","","99.55","0.03","90","","1242","4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ethylisopropylamine","ethylisopropylamine","","- C5 H13 N -","- C5 H13 N -","- C40 H104 N8 -","8","2","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1402","0.0832","","","0.2225","0.2534","","","","","","1.067","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121730","15.168","0.015","8.902","0.008","15.176","0.015","90","","90.67","0.02","90","","2049","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","methylpropylamine","methylpropylamine","","- C4 H11 N -","- C4 H11 N -","- C64 H176 N16 -","16","2","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1196","0.0892","","","0.261","0.292","","","","","","1.003","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121731","14.348","0.004","8.94","0.003","17.768","0.006","90","","105.637","0.004","90","","2194.8","1.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","ethylbutylamine","ethylbutylamine","","- C6 H15 N -","- C6 H15 N -","- C72 H180 N12 -","12","3","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0399","0.0362","","","0.0925","0.0947","","","","","","1.071","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121732","17.442","0.011","11.612","0.008","18.375","0.012","90","","90.08","0.015","90","","3722","4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","diisobutylamine","diisobutylamine","","- C8 H19 N -","- C8 H19 N -","- C128 H304 N16 -","16","2","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1085","0.0764","","","0.1905","0.2073","","","","","","1.052","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121733","14.527","0.008","7.293","0.004","14.148","0.006","90","","104.794","0.011","90","","1449.2","1.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","diisopropylamine","diisopropylamine","","- C6 H15 N -","- C6 H15 N -","- C48 H120 N8 -","8","1","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0482","0.0375","","","0.0869","0.0931","","","","","","0.999","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121734","8.158","0.002","10.492","0.003","26.09","0.007","90","","90.156","0.004","90","","2233.1","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dipropylamine","dipropylamine","","- C6 H15 N -","- C6 H15 N -","- C72 H180 N12 -","12","3","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0617","0.0472","","","0.1131","0.1216","","","","","","1.048","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121735","7.761","0.005","16.084","0.013","14.231","0.012","90","","99.851","0.01","90","","1750","2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","methylethylamine","methylethylamine","","- C3 H9 N -","- C3 H9 N -","- C48 H144 N16 -","16","4","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.1079","0.0727","","","0.157","0.181","","","","","","0.997","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121736","7.989","0.002","15.32","0.005","13.213","0.004","90","","96.29","0.005","90","","1607.4","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","diethylamine","diethylamine","","- C4 H11 N -","- C4 H11 N -","- C48 H132 N12 -","12","3","","Hanke, Felix; Pugh, Chloe J.; Kay, Ellis F.; Taylor, Joshua B.; Todd, Stephen M.; Robertson, Craig M.; Slater, Benjamin J.; Steiner, Alexander","The simplest supramolecular helix.","Chemical communications (Cambridge, England)","2018","54","47","6012","6015","10.1039/c8cc03295e","","","0.71073","MoKα","","0.0593","0.0503","","","0.1171","0.1218","","","","","","0.979","","","","has coordinates","228328","2020-10-21","18:00:00",""
"7121737","10.503","0.003","11.094","0.004","14.692","0.005","106.564","0.016","90.122","0.012","95.097","0.016","1633.7","0.9","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H82 B2 F4 N8 P2 Pt -","- C66 H82 B2 F4 N8 P2 Pt -","- C66 H82 B2 F4 N8 P2 Pt -","1","0.5","","Dhindsa, Jasveer S.; Maar, Ryan R.; Barbon, Stephanie M.; Olivia Avilés, María; Powell, Zachary K.; Lagugné-Labarthet, François; Gilroy, Joe B.","A π-conjugated inorganic polymer constructed from boron difluoride formazanates and platinum(ii) diynes.","Chemical communications (Cambridge, England)","2018","54","50","6899","6902","10.1039/c8cc02424c","","","0.71073","MoKα","","0.055","0.0414","","","0.0642","0.0676","","","","","","1.003","","","","has coordinates","228309","2020-10-21","18:00:00",""
"7121738","7.3184","0.0018","5.7059","0.0015","15.844","0.004","90","","113.439","0.006","90","","607","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0679","0.0502","","","0.1205","0.1294","","","","","","1.08","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121739","7.243","0.0005","5.4842","0.0004","16.0426","0.0011","90","","101.797","0.002","90","","623.79","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0424","0.0357","","","0.0898","0.0946","","","","","","1.049","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121740","7.3198","0.0005","5.5097","0.0003","16.0906","0.0011","90","","102.034","0.002","90","","634.67","0.07","280","2","280","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0493","0.0403","","","0.1035","0.1111","","","","","","1.078","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121741","7.2662","0.0006","5.4906","0.0004","16.0552","0.0013","90","","101.835","0.003","90","","626.92","0.09","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.041","0.035","","","0.087","0.0919","","","","","","1.065","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121742","7.3414","0.0005","5.5181","0.0004","16.1043","0.0011","90","","102.118","0.002","90","","637.86","0.08","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0522","0.0407","","","0.1013","0.1096","","","","","","1.043","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121743","7.3002","0.0005","5.5022","0.0003","16.0771","0.0011","90","","101.968","0.002","90","","631.73","0.07","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0475","0.0388","","","0.0981","0.1053","","","","","","1.047","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121744","7.3645","0.0018","5.5357","0.0014","16.147","0.004","90","","102.119","0.006","90","","643.6","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.115","0.0622","","","0.136","0.158","","","","","","1.07","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121745","7.3455","0.0019","5.7043","0.0015","15.878","0.004","90","","113.224","0.006","90","","611.4","0.3","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0786","0.0565","","","0.127","0.1377","","","","","","1.081","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121746","7.2228","0.0005","5.4765","0.0004","16.0273","0.0012","90","","101.74","0.002","90","","620.71","0.08","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0392","0.0344","","","0.089","0.0929","","","","","","1.067","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121747","7.332","0.0018","5.7057","0.0014","15.859","0.004","90","","113.341","0.006","90","","609.2","0.3","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0772","0.056","","","0.1277","0.1382","","","","","","1.102","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121748","7.368","0.002","5.7105","0.0017","15.915","0.005","90","","113.088","0.007","90","","616","0.3","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.1001","0.0713","","","0.1707","0.1876","","","","","","1.08","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121749","7.2815","0.0006","5.4951","0.0004","16.0633","0.0012","90","","101.903","0.002","90","","628.91","0.08","240","2","240","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-aminobenzonitrile","4-aminobenzonitrile","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Alimi, Lukman O.; van Heerden, Dewald P.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Reversible thermosalience of 4-aminobenzonitrile.","Chemical communications (Cambridge, England)","2018","54","48","6208","6211","10.1039/c8cc03636e","","","0.71073","MoKα","","0.0436","0.0367","","","0.0942","0.1001","","","","","","1.083","","","","has coordinates","228357","2020-10-21","18:00:00",""
"7121750","8.2004","0.0016","11.919","0.002","12.4","0.003","93.86","0.03","93.52","0.03","95.79","0.03","1200.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","(E)-3-(2-Nitrostyryl)isoxazole-5-sulfonyl fluoride","","- C11 H7 F N2 O5 S -","- C11 H7 F N2 O5 S -","- C44 H28 F4 N8 O20 S4 -","4","2","","Smedley, Christopher J.; Giel, Marie-Claire; Molino, Andrew; Barrow, Andrew S.; Wilson, David J. D.; Moses, John E.","1-Bromoethene-1-sulfonyl fluoride (BESF) is another good connective hub for SuFEx click chemistry.","Chemical communications (Cambridge, England)","2018","54","47","6020","6023","10.1039/c8cc03400a","","","1.54184","CuKα","","0.0415","0.0363","","","0.1045","0.112","","","","","","1.095","","","","has coordinates","228330","2020-10-21","18:00:00",""
"7121751","16.1053","0.0013","20.5425","0.0016","16.542","0.0012","90","","90","","90","","5472.8","0.7","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H23 Br N2 O6 -","- C27 H23 Br N2 O6 -","- C216 H184 Br8 N16 O48 -","8","1","","Gurubrahamam, Ramani; Nagaraju, Koppanathi; Chen, Kwunmin","Organocatalytic synthesis of densely functionalized oxa-bridged 2,6-epoxybenzo[b][1,5]oxazocine heterocycles.","Chemical communications (Cambridge, England)","2018","54","47","6048","6051","10.1039/c8cc02565g","","","0.71073","MoKα","","0.1358","0.0887","","","0.1406","0.158","","","","","","1.119","","","","has coordinates","228327","2020-10-21","18:00:00",""
"7121752","9.4821","0.0007","14.8496","0.0008","17.729","0.0012","90","","100.901","0.002","90","","2451.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 I N2 -","- C26 H37 I N2 -","- C104 H148 I4 N8 -","4","1","","Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh","Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides.","Chemical communications (Cambridge, England)","2018","54","47","6044","6047","10.1039/c8cc01808a","","","0.71073","MoKα","","0.0239","0.0222","","","0.0611","0.0621","","","","","","1.06","","","","has coordinates","228329","2020-10-21","18:00:00",""
"7121753","15.5061","0.0006","15.3089","0.0008","9.2595","0.0004","90","","90.915","0.002","90","","2197.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 B F4 N2 -","- C23 H31 B F4 N2 -","- C92 H124 B4 F16 N8 -","4","1","","Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh","Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides.","Chemical communications (Cambridge, England)","2018","54","47","6044","6047","10.1039/c8cc01808a","","","0.71073","MoKα","","0.0829","0.0556","","","0.1259","0.1375","","","","","","1.064","","","","has coordinates","228329","2020-10-21","18:00:00",""
"7121754","17.5096","0.0008","10.5339","0.0005","11.1338","0.0006","90","","126.315","0.001","90","","1654.71","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C17 H20 I N2 O0.5 -","- C17 H20 I N2 O0.5 -","- C68 H80 I4 N8 O2 -","4","1","","Teng, Qiaoqiao; Wu, Wenqin; Duong, Hung A.; Huynh, Han Vinh","Ring-expanded N-heterocyclic carbenes as ligands in iron-catalysed cross-coupling reactions of arylmagnesium reagents and aryl chlorides.","Chemical communications (Cambridge, England)","2018","54","47","6044","6047","10.1039/c8cc01808a","","","0.71073","MoKα","","0.0113","0.0111","","","0.0274","0.0274","","","","","","1.119","","","","has coordinates","228329","2020-10-21","18:00:00",""
"7121755","12.08","","11.704","","16.182","","90","","90","","90","","2287.88","","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(3,3-diiodo-3-nitropropyl)benzene","","- C9 H9 I2 N O2 -","- C9 H9 I2 N O2 -","- C72 H72 I16 N8 O16 -","8","1","","Li, Jing; Lear, Martin J.; Hayashi, Yujiro","Autoinductive conversion of α,α-diiodonitroalkanes to amides and esters catalysed by iodine byproducts under O<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","49","6360","6363","10.1039/c8cc03191f","","","0.71075","MoKα","","0.0743","0.0716","","","0.2076","0.2096","","","","","","1.193","","","","has coordinates","228492","2020-10-21","18:00:00",""
"7121756","14.121","0.0005","14.5253","0.0005","18.8086","0.0006","90","","90","","90","","3857.9","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 Cl2 P2 Rh2 S2 -","- C34 H56 Cl2 P2 Rh2 S2 -","- C136 H224 Cl8 P8 Rh8 S8 -","4","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","1.54178","CuKα","","0.0369","0.0357","","","0.0947","0.0958","","","","","","1.011","","","","has coordinates,has disorder","228491","2020-10-21","18:00:00",""
"7121757","12.0429","0.0003","13.0157","0.0003","45.0034","0.0012","90","","90.985","0.001","90","","7053.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H70 Cl6 P4 Rh4 S4 -","- C76 H70 Cl6 P4 Rh4 S4 -","- C304 H280 Cl24 P16 Rh16 S16 -","4","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","1.54178","CuKα","","0.0486","0.0398","","","0.099","0.104","","","","","","1.069","","","","has coordinates","228491","2020-10-21","18:00:00",""
"7121758","16.0812","0.0007","15.1354","0.0007","29.4358","0.0013","90","","90","","90","","7164.5","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H56 Cl2 O2 P2 Rh2 -","- C34 H56 Cl2 O2 P2 Rh2 -","- C272 H448 Cl16 O16 P16 Rh16 -","8","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","0.71073","MoKα","","0.0467","0.0327","","","0.0744","0.0826","","","","","","1.037","","","","has coordinates","228491","2020-10-21","18:00:00",""
"7121759","12.2267","0.0003","13.3049","0.0004","13.5035","0.0004","73.906","0.001","69.569","0.001","68.304","0.001","1884.77","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H76 Cl8 O4 P4 Rh4 -","- C78 H76 Cl8 O4 P4 Rh4 -","- C78 H76 Cl8 O4 P4 Rh4 -","1","0.5","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","1.54178","CuKα","","0.0321","0.0292","","","0.0754","0.0776","","","","","","1.039","","","","has coordinates,has disorder","228491","2020-10-21","18:00:00",""
"7121760","10.7617","0.0013","17.854","0.002","19.459","0.002","78.973","0.002","84.819","0.002","78.382","0.002","3589.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H72 Cl4 P4 Rh4 S4 -","- C76 H72 Cl4 P4 Rh4 S4 -","- C152 H144 Cl8 P8 Rh8 S8 -","2","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","0.71073","MoKα","","0.0545","0.0347","","","0.0752","0.0857","","","","","","1.019","","","","has coordinates,has disorder","228491","2020-10-21","18:00:00",""
"7121761","8.7032","0.0004","13.2565","0.0006","18.0076","0.0009","90","","90","","90","","2077.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 F O5 P -","- C21 H22 F O5 P -","- C84 H88 F4 O20 P4 -","4","1","","Sun, Jun; He, Fangcheng; Wang, Zhongyao; Pan, Dingwu; Zheng, Pengcheng; Mou, Chengli; Jin, Zhichao; Chi, Yonggui Robin","Carbene-catalyzed enal γ-carbon addition to α-ketophosphonates for enantioselective access to bioactive 2-pyranylphosphonates.","Chemical communications (Cambridge, England)","2018","54","47","6040","6043","10.1039/c8cc03017k","","","1.54178","CuKα","","0.0513","0.0457","","","0.1177","0.1234","","","","","","1.052","","","","has coordinates,has disorder","228325","2020-10-21","18:00:00",""
"7121762","12.9659","0.0017","8.4037","0.0011","12.8931","0.0017","90","","113.171","0.001","90","","1291.5","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 F3 O -","- C17 H13 F3 O -","- C68 H52 F12 O4 -","4","1","","Yokoo, Kazuma; Mori, Keiji","Divergent synthesis of CF<sub>3</sub>-substituted polycyclic skeletons based on control of activation site of acid catalysts.","Chemical communications (Cambridge, England)","2018","54","50","6927","6930","10.1039/c8cc02377h","","","0.71073","MoKα","","0.0439","0.037","","","0.089","0.0943","","","","","","1.052","","","","has coordinates","228303","2020-10-21","18:00:00",""
"7121763","12.7541","0.0003","13.627","0.0003","17.1282","0.0004","100.157","0.001","95.562","0.001","112.012","0.001","2672.94","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H43 B F20 N O2 P -","- C57 H43 B F20 N O2 P -","- C114 H86 B2 F40 N2 O4 P2 -","2","1","","Volodarsky, Solomon; Dobrovetsky, Roman","Ambiphilic geometrically constrained phosphenium cation.","Chemical communications (Cambridge, England)","2018","54","50","6931","6934","10.1039/c8cc02423e","","","0.71073","MoKα","","0.0686","0.0471","","","0.1301","0.1556","","","","","","1.019","","","","has coordinates","228305","2020-10-21","18:00:00",""
"7121764","7.1336","0.0005","12.7135","0.0008","20.4017","0.0014","90","","90","","90","","1850.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","1","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0378","0.0348","","","0.0843","0.0867","","","","","","1.03","","","","has coordinates","228353","2020-10-21","18:00:00",""
"7121765","8.5141","0.0019","7.7265","0.0017","22.836","0.005","90","","94.095","0.003","90","","1498.4","0.6","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0445","0.04","","","0.0984","0.1012","","","","","","1.048","","","","has coordinates,has disorder","228353","2020-10-21","18:00:00",""
"7121766","7.102","0.003","8.451","0.003","24.298","0.009","90","","90","","90","","1458.3","1","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0797","0.081","","","","","","1.023","","","","has coordinates","228353","2020-10-21","18:00:00",""
"7121767","8.831","0.0018","13.443","0.004","13.675","0.004","118","0.05","103.9","0.05","92.2","0.05","1369.6","1.1","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H60 Cr2 N4 Ni O14 -","- C62 H60 Cr2 N4 Ni O14 -","- C62 H60 Cr2 N4 Ni O14 -","1","0.5","","Fotopoulou, Eirini; Martínez-Lillo, Jose; Siczek, Milosz; Lis, Tadeusz; Tangoulis, Vassilis; Evangelisti, Marco; Brechin, Euan K.; Milios, Constantinos J.","A [Cr<sub>2</sub>Ni] coordination polymer: slow relaxation of magnetization in quasi-one-dimensional ferromagnetic chains.","Chemical communications (Cambridge, England)","2018","54","48","6153","6156","10.1039/c8cc02583e","","","0.71073","MoKα","","0.0668","0.0456","","","0.089","0.1029","","","","","","1.042","","","","has coordinates","228354","2020-10-21","18:00:00",""
"7121768","9.756","0.002","13.413","0.003","14.922","0.003","112.87","0.03","100.33","0.03","94.47","0.03","1746.4","0.8","100","2","100","2","","","","","","","","5","P 1","P 1","1","","trans-di(N-acetyl-L-tyrosinato)[5,10,15,20-tetraphenylporphyrinato]-tin(IV)","","- C80 H84 N6 O12 Sn -","- C72 H64 N6 O10 Sn -","- C72 H64 N6 O10 Sn -","1","1","","Natali, Mirco; Amati, Agnese; Demitri, Nicola; Iengo, Elisabetta","Formation of a long-lived radical pair in a Sn(iv) porphyrin-di(l-tyrosinato) conjugate driven by proton-coupled electron-transfer.","Chemical communications (Cambridge, England)","2018","54","48","6148","6152","10.1039/c8cc03441a","","","0.7","Synchrotron","","0.0406","0.04","","","0.106","0.1066","","","","","","1.057","","","","has coordinates","228352","2020-10-21","18:00:00",""
"7121769","17.529","0.0004","10.184","0.0002","18.2727","0.0004","90","","99.753","0.002","90","","3214.81","0.12","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C152 H120 N8 O24 S8 -","8","2","","Huang, Yuanqiong; Guo, Zhonglin; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin","Silver-copper co-catalyzed cascade intramolecular cyclization/desulfinamide/dehydrogenation: one-pot synthesis of substituted carbazoles.","Chemical communications (Cambridge, England)","2018","54","52","7143","7146","10.1039/c8cc03600d","","x-ray","0.71073","MoKα","","0.052","0.0395","","","0.1065","0.1141","","","","","","1.044","","","","has coordinates","228187","2020-10-21","18:00:00",""
"7121770","15.3831","0.0008","35.7449","0.0018","16.8107","0.0008","90","","94.964","0.003","90","","9209","0.8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C108 H187 Cu7 N30 O96 P4 -","- C108 H95 Cu7 N28 O48 P4 -","- C216 H190 Cu14 N56 O96 P8 -","2","1","","Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella","Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.","Chemical communications (Cambridge, England)","2018","54","49","6356","6359","10.1039/c8cc03544j","","","0.71073","MoKα","","0.0923","0.0666","","","0.1639","0.1751","","","","","","0.968","","","","has coordinates","228500","2020-10-21","18:00:00",""
"7121771","15.2378","0.0011","35.525","0.003","16.7521","0.0012","90","","95.389","0.003","90","","9028.2","1.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C112 H172 Cu7 N31 O89 P4 -","- C112 H95 Cu7 N28 O49 P4 -","- C224 H190 Cu14 N56 O98 P8 -","2","1","","Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella","Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.","Chemical communications (Cambridge, England)","2018","54","49","6356","6359","10.1039/c8cc03544j","","","0.71073","MoKα","","0.0912","0.0727","","","0.1932","0.2042","","","","","","1.053","","","","has coordinates","228500","2020-10-21","18:00:00",""
"7121772","7.925","0.005","12.453","0.007","13.592","0.008","83.497","0.008","82.328","0.007","88.609","0.008","1320.8","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C64 H60 N4 O4 -","2","1","","Li, Feng; Hu, Peng; Sun, Mingming; Li, Chunju; Jia, Xueshun; Li, Jian","Ytterbium and silver co-catalyzed synthesis of pyrrole-fused bicyclic skeletons from enynones and isocyanides.","Chemical communications (Cambridge, England)","2018","54","49","6412","6415","10.1039/c8cc03475c","","","0.71073","MoKα","","0.1218","0.0833","","","0.2304","0.2734","","","","","","0.987","","","","has coordinates","228493","2020-10-21","18:00:00",""
"7121773","31.48","0.006","7.4853","0.0013","20.361","0.004","90","","104.443","0.002","90","","4646.2","1.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N2 O2 -","- C30 H26 N2 O2 -","- C240 H208 N16 O16 -","8","1","","Li, Feng; Hu, Peng; Sun, Mingming; Li, Chunju; Jia, Xueshun; Li, Jian","Ytterbium and silver co-catalyzed synthesis of pyrrole-fused bicyclic skeletons from enynones and isocyanides.","Chemical communications (Cambridge, England)","2018","54","49","6412","6415","10.1039/c8cc03475c","","","0.71073","MoKα","","0.0657","0.0471","","","0.1343","0.1506","","","","","","1.043","","","","has coordinates","228493","2020-10-21","18:00:00",""
"7121774","40.251","0.003","40.251","0.003","40.251","0.003","90","","90","","90","","65212","8","12.1","0.1","12.1","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework dosed with Ethane","- C55.76 H31.5 D19.56 Fe4 N3 O22.22 -","- C55.7587 H31.4965 D19.5687 Fe4 N2.99867 O22.2273 -","- C1338.21 H755.916 D469.648 Fe96 N71.968 O533.456 -","24","0.125","","Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.","Gas adsorption in an isostructural series of pillared coordination cages.","Chemical communications (Cambridge, England)","2018","54","49","6392","6395","10.1039/c8cc03216e","","","0.2772","neutron","","","","","","","","","","1.139","","","","","","","has coordinates","228496","2020-10-21","18:00:00",""
"7121775","40.216","0.003","40.216","0.003","40.216","0.003","90","","90","","90","","65042","8","12.1","0.1","12.1","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework, dosed with Ethylene","- C56.86 H30.78 D17.44 Fe4 N3 O22.28 -","- C56.8667 H30.772 D17.44 Fe4 N3 O22.28 -","- C1364.8 H738.528 D418.56 Fe96 N72 O534.72 -","24","0.125","","Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.","Gas adsorption in an isostructural series of pillared coordination cages.","Chemical communications (Cambridge, England)","2018","54","49","6392","6395","10.1039/c8cc03216e","","","0.2772","neutron","","","","","","","","","","1.079","","","","","","","has coordinates","228496","2020-10-21","18:00:00",""
"7121776","40.302","0.002","40.302","0.002","40.302","0.002","90","","90","","90","","65461","6","12.1","0.1","12.1","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Fe Metal Organic Framework","- C61.56 H40.32 D8.74 Fe4 N2.96 O23.3 -","- C61.552 H40.32 D8.736 Fe4 N2.96 O23.296 -","- C1477.25 H967.68 D209.664 Fe96 N71.04 O559.104 -","24","0.125","","Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.","Gas adsorption in an isostructural series of pillared coordination cages.","Chemical communications (Cambridge, England)","2018","54","49","6392","6395","10.1039/c8cc03216e","","","0.2772","neutron","","","","","","","","","","1.06","","","","","","","has coordinates","228496","2020-10-21","18:00:00",""
"7121777","39.9765","0.0014","39.9765","0.0014","39.9765","0.0014","90","","90","","90","","63887","4","298","0.2","298","0.2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","Cu-Me-bdc Metal Organic Framework","- C34.9 Cu4 N2.71 O17.78 -","- C34.904 Cu4 N2.70667 O18.364 -","- C837.696 Cu96 N64.96 O440.736 -","24","0.125","","Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.","Gas adsorption in an isostructural series of pillared coordination cages.","Chemical communications (Cambridge, England)","2018","54","49","6392","6395","10.1039/c8cc03216e","","","0.4522","synchrotron","","","","","","","","","","2.969","","","","","","","has coordinates","228496","2020-10-21","18:00:00",""
"7121778","39.942","0.003","39.942","0.003","39.942","0.003","90","","90","","90","","63722","8","7.05","0.04","7.05","0.04","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","Cu Metal Organic Framework","- C50.24 H12.6 Cu4 D23.48 N1.56 O18.84 -","- C50.244 H12.592 Cu4 D23.488 N1.578 O18.848 -","- C1205.86 H302.208 Cu96 D563.712 N37.872 O452.352 -","24","0.125","","Gosselin, Eric J.; Lorzing, Gregory R.; Trump, Benjamin A.; Brown, Craig M.; Bloch, Eric D.","Gas adsorption in an isostructural series of pillared coordination cages.","Chemical communications (Cambridge, England)","2018","54","49","6392","6395","10.1039/c8cc03216e","","","0.2772","neutron","","","","","","","","","","1.142","","","","","","","has coordinates","228496","2020-10-21","18:00:00",""
"7121779","9.6968","0.0005","12.7898","0.0006","16.0392","0.0007","71.948","0.004","75.157","0.004","80.771","0.004","1821.04","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[(Pn?)Dy(Cp*)]","","","- C36 H61 Dy Si2 -","- C36 H61 Dy Si2 -","- C72 H122 Dy2 Si4 -","2","1","","Kilpatrick, Alexander F. R.; Guo, Fu-Sheng; Day, Benjamin M.; Mansikkamäki, Akseli; Layfield, Richard A.; Cloke, F Geoffrey N","Single-molecule magnet properties of a monometallic dysprosium pentalene complex.","Chemical communications (Cambridge, England)","2018","54","51","7085","7088","10.1039/c8cc03516d","","","1.54184","CuKα","","0.058","0.0474","","","0.1049","0.113","","","","","","0.877","","","","has coordinates,has disorder","228010","2020-10-21","18:00:00",""
"7121780","9.7114","0.0004","12.7624","0.0006","15.9778","0.0008","72.103","0.004","75.026","0.004","80.722","0.004","1813.26","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","[(Pn?)Y(Cp*)]","","","- C36 H61 Si2 Y -","- C36 H61 Si2 Y -","- C72 H122 Si4 Y2 -","2","1","","Kilpatrick, Alexander F. R.; Guo, Fu-Sheng; Day, Benjamin M.; Mansikkamäki, Akseli; Layfield, Richard A.; Cloke, F Geoffrey N","Single-molecule magnet properties of a monometallic dysprosium pentalene complex.","Chemical communications (Cambridge, England)","2018","54","51","7085","7088","10.1039/c8cc03516d","","","1.54184","CuKα","","0.0598","0.0571","","","0.1496","0.1536","","","","","","0.937","","","","has coordinates,has disorder","228010","2020-10-21","18:00:00",""
"7121781","12.099","0.004","11.399","0.003","16.538","0.005","90","","99.939","0.013","90","","2246.6","1.2","100","2","100.03","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N6 S2 -","- C22 H16 Co N6 S2 -","- C88 H64 Co4 N24 S8 -","4","0.5","","Wang, Shi-Qiang; Yang, Qing-Yuan; Mukherjee, Soumya; O'Nolan, Daniel; Patyk-Kaźmierczak, Ewa; Chen, Kai-Jie; Shivanna, Mohana; Murray, Claire; Tang, Chiu C.; Zaworotko, Michael J.","Recyclable switching between nonporous and porous phases of a square lattice (sql) topology coordination network.","Chemical communications (Cambridge, England)","2018","54","51","7042","7045","10.1039/c8cc03838d","","","1.54178","CuKα","","0.1586","0.1345","","","0.3363","0.3577","","","","","","1.158","","","","has coordinates","228015","2020-10-21","18:00:00",""
"7121782","12.605016","","11.467969","","19.683948","","90","","92.9158","","90","","2841.71","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N6 S2 -","- C22 H16 Co N6 S2 -","- C88 H64 Co4 N24 S8 -","4","0.5","","Wang, Shi-Qiang; Yang, Qing-Yuan; Mukherjee, Soumya; O'Nolan, Daniel; Patyk-Kaźmierczak, Ewa; Chen, Kai-Jie; Shivanna, Mohana; Murray, Claire; Tang, Chiu C.; Zaworotko, Michael J.","Recyclable switching between nonporous and porous phases of a square lattice (sql) topology coordination network.","Chemical communications (Cambridge, England)","2018","54","51","7042","7045","10.1039/c8cc03838d","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","228015","2020-10-21","18:00:00",""
"7121783","23.3527","0.0013","11.5209","0.0007","13.7802","0.0009","90","","108.764","0.002","90","","3510.4","0.4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Co F6 N6 S2 -","- C36 H26 Co F6 N6 S2 -","- C144 H104 Co4 F24 N24 S8 -","4","0.5","","Wang, Shi-Qiang; Yang, Qing-Yuan; Mukherjee, Soumya; O'Nolan, Daniel; Patyk-Kaźmierczak, Ewa; Chen, Kai-Jie; Shivanna, Mohana; Murray, Claire; Tang, Chiu C.; Zaworotko, Michael J.","Recyclable switching between nonporous and porous phases of a square lattice (sql) topology coordination network.","Chemical communications (Cambridge, England)","2018","54","51","7042","7045","10.1039/c8cc03838d","","","0.71073","MoKα","","0.092","0.0594","","","0.1408","0.1599","","","","","","1.053","","","","has coordinates","228015","2020-10-21","18:00:00",""
"7121784","9.7087","0.0008","10.8041","0.0009","11.9237","0.001","78.551","0.002","66.373","0.001","74.278","0.001","1097.26","0.16","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C58 H42 N2 O6 -","2","1","","Zheng, Zhong; Wang, Ye; Xu, Murong; Kong, Lingkai; Wang, Mengdan; Li, Yanzhong","Transition-metal-free insertion reactions of alkynes into the C-N σ-bonds of imides: synthesis of substituted enamides or chromones.","Chemical communications (Cambridge, England)","2018","54","48","6192","6195","10.1039/c8cc03059f","","","0.71073","MoKα","","0.0575","0.0452","","","0.1157","0.1247","","","","","","1.038","","","","has coordinates","228355","2020-10-21","18:00:00",""
"7121785","7.5691","0.001","11.0082","0.0013","26.381","0.003","90","","93.532","0.003","90","","2193.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C29 H18 F N O3 -","- C29 H18 F N O3 -","- C116 H72 F4 N4 O12 -","4","1","","Zheng, Zhong; Wang, Ye; Xu, Murong; Kong, Lingkai; Wang, Mengdan; Li, Yanzhong","Transition-metal-free insertion reactions of alkynes into the C-N σ-bonds of imides: synthesis of substituted enamides or chromones.","Chemical communications (Cambridge, England)","2018","54","48","6192","6195","10.1039/c8cc03059f","","","0.71073","MoKα","","0.0787","0.0526","","","0.1198","0.1332","","","","","","1.023","","","","has coordinates","228355","2020-10-21","18:00:00",""
"7121786","15.484","0.013","4.021","0.003","19.824","0.015","90","","90.285","0.012","90","","1234.3","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br2 O2 -","- C13 H8 Br2 O2 -","- C52 H32 Br8 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic.","Chemical communications (Cambridge, England)","2018","54","49","6348","6351","10.1039/c8cc02662a","","","0.71073","MoKα","","0.0609","0.0514","","","0.1322","0.1399","","","","","","1.026","","","","has coordinates","228499","2020-10-21","18:00:00",""
"7121787","7.859","0.005","6.118","0.004","24.872","0.017","90","","90","","90","","1195.9","1.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H8 Br2 O2 -","- C13 H8 Br2 O2 -","- C52 H32 Br8 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic.","Chemical communications (Cambridge, England)","2018","54","49","6348","6351","10.1039/c8cc02662a","","","0.71073","MoKα","","0.0799","0.0756","","","0.1834","0.1966","","","","","","1.096","","","","has coordinates","228499","2020-10-21","18:00:00",""
"7121788","3.8549","0.0009","11.732","0.002","27.48","0.005","90","","90","","90","","1242.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br2 O2 -","- C13 H8 Br1.9995 O2 -","- C52 H32 Br7.998 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic.","Chemical communications (Cambridge, England)","2018","54","49","6348","6351","10.1039/c8cc02662a","","","0.71073","MoKα","","0.0611","0.0567","","","0.1616","0.1666","","","","","","0.995","","","","has coordinates","228499","2020-10-21","18:00:00",""
"7121789","8.3572","0.0003","15.2648","0.0005","20.6156","0.0006","90","","90","","90","","2629.95","0.15","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Imidazolidine","Ethyl (2S,4S,5S)-2,5-bis(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-phenylimidazolidine-4-carboxylate","","- C28 H28 Br2 N2 O4 -","- C28 H28 Br2 N2 O4 -","- C112 H112 Br8 N8 O16 -","4","1","","Jia, Hao; Guo, Zhenyan; Liu, Honglei; Mao, Biming; Shi, Xueyan; Guo, Hongchao","Tandem nucleophilic addition-cycloaddition of arynes with α-iminoesters: two concurrent pathways to imidazolidines.","Chemical communications (Cambridge, England)","2018","54","51","7050","7053","10.1039/c8cc03806f","","","0.71073","MoKα","","0.0837","0.052","","","0.0855","0.0951","","","","","","1.022","","","","has coordinates","228012","2020-10-21","18:00:00",""
"7121790","9.49079","0.00017","9.73586","0.00018","26.0784","0.0005","90","","90","","90","","2409.67","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C120 H108 N4 O16 -","4","1","","Pawliczek, Martin; Shimazaki, Yuto; Kimura, Hidenori; Oberg, Kevin M.; Zakpur, Saman; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer-catalysed asymmetric synthesis of 2,2-disubstituted 1,4-benzoxazin-3-ones.","Chemical communications (Cambridge, England)","2018","54","51","7078","7080","10.1039/c8cc03635g","","","1.54187","CuKα","","0.0401","0.0363","","","0.1045","0.1086","","","","","","0.893","","","","has coordinates","228011","2020-10-21","18:00:00",""
"7121791","10.1306","0.0005","11.4102","0.0006","17.3413","0.0007","70.926","0.004","88.066","0.004","72.035","0.004","1797.08","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 F3 N4 Nd O10 -","- C36 H32 F3 N4 Nd O10 -","- C72 H64 F6 N8 Nd2 O20 -","2","1","","Sun, Si-Si; Zhang, Jian-Hua; Wang, Zheng; Yu, Yong-Qin; Zhu, Cheng-Yi; Pan, Mei; Su, Cheng-Yong","Anomalous thermally-activated NIR emission of ESIPT modulated Nd-complexes for optical fiber sensing devices.","Chemical communications (Cambridge, England)","2018","54","49","6304","6307","10.1039/c8cc02345j","","x-ray","1.54184","CuKα","","0.0412","0.0394","","","0.0961","0.0985","","","","","","1.034","","","","has coordinates","228501","2020-10-21","18:00:00",""
"7121792","15.0751","0.0003","18.2135","0.0004","19.1996","0.0004","79.2972","0.0018","86.7245","0.0015","72.6916","0.0018","4945.36","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H41 B F20 Mg N2 -","- C53 H41 B F20 Mg N2 -","- C212 H164 B4 F80 Mg4 N8 -","4","2","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0522","0.0415","","","0.1058","0.1125","","","","","","1.036","","","","has coordinates","228165","2020-10-21","18:00:00",""
"7121793","12.6579","0.0004","15.3343","0.0005","17.5503","0.0006","92.793","0.003","107.979","0.003","99.369","0.002","3179.12","0.19","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H61 B F21 Mg N2 O P -","- C65 H61 B F21 Mg N2 O P -","- C130 H122 B2 F42 Mg2 N4 O2 P2 -","2","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0376","0.0343","","","0.0879","0.0906","","","","","","1.025","","","","has coordinates","228165","2020-10-21","18:00:00",""
"7121794","12.6783","0.0004","13.1414","0.0004","19.5127","0.0005","100.801","0.002","101.644","0.002","110.656","0.003","2858.36","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H53 B F20 Mg N2 -","- C65 H53 B F20 Mg N2 -","- C130 H106 B2 F40 Mg2 N4 -","2","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0401","0.0365","","","0.0931","0.0963","","","","","","1.021","","","","has coordinates","228165","2020-10-21","18:00:00",""
"7121795","15.4894","0.0002","16.6388","0.0002","22.8557","0.0003","90","","94.347","0.001","90","","5873.54","0.13","100","0.19","100","0.19","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 B Ca F20 N2 -","- C65 H53 B Ca F20 N2 -","- C260 H212 B4 Ca4 F80 N8 -","4","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0493","0.0447","","","0.1178","0.1239","","","","","","1.035","","","","has coordinates","228165","2020-10-21","18:00:00",""
"7121796","12.9094","0.0005","15.1447","0.0006","16.9144","0.0007","94.761","0.003","92.981","0.003","96.921","0.003","3265.1","0.2","100","0.1","100","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C65 H71 B F20 Mg N2 O2 P2 -","- C65 H71 B F20 Mg N2 O2 P2 -","- C130 H142 B2 F40 Mg2 N4 O4 P4 -","2","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0503","0.0439","","","0.1146","0.1208","","","","","","1.016","","","","has coordinates,has disorder","228165","2020-10-21","18:00:00",""
"7121797","14.3528","0.0006","20.156","0.0009","19.2715","0.0008","90","","100.557","0.004","90","","5480.8","0.4","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 B F20 Mg N2 -","- C59 H51 B F20 Mg N2 -","- C236 H204 B4 F80 Mg4 N8 -","4","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","0.71073","MoKα","","0.06","0.0413","","","0.0907","0.1001","","","","","","1.017","","","","has coordinates","228165","2020-10-21","18:00:00",""
"7121798","10.885","0.003","9.108","0.002","13.576","0.003","90","","90","","90","","1345.9","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B5 F O8 Pb -","- B5 F O8 Pb -","- B40 F8 O64 Pb8 -","8","1","","Mutailipu, Miriding; Zhang, Min; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","The first lead fluorooxoborate PbB<sub>5</sub>O<sub>8</sub>F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge.","Chemical communications (Cambridge, England)","2018","54","49","6308","6311","10.1039/c8cc02694g","","","0.71073","MoKα","","0.0323","0.0218","","","0.0444","0.0481","","","","","","1.017","","","","has coordinates","228494","2020-10-21","18:00:00",""
"7121799","4.2996","0.0006","15.2","0.002","19.121","0.003","90","","90","","90","","1249.6","0.3","200","2","200","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Bi7 Nd3 -","- Bi7 Nd3 -","- Bi28 Nd12 -","4","0.25","","Ovchinnikov, Alexander; Makongo, Julien P. A.; Bobev, Svilen","Yet again, new compounds found in systems with known binary phase diagrams. Synthesis, crystal and electronic structure of Nd<sub>3</sub>Bi<sub>7</sub> and Sm<sub>3</sub>Bi<sub>7</sub>.","Chemical communications (Cambridge, England)","2018","54","51","7089","7092","10.1039/c8cc02563k","","","0.71073","MoKα","","0.0555","0.0399","","","0.0824","0.0893","","","","","","1.021","","","","has coordinates","228016","2020-10-21","18:00:00",""
"7121800","4.2762","0.0008","15.05","0.003","19.034","0.004","90","","90","","90","","1225","0.4","200","2","200","2","","","","","","","","2","I m m m","-I 2 2","71","","","","- Bi7 Sm3 -","- Bi7 Sm3 -","- Bi28 Sm12 -","4","0.25","","Ovchinnikov, Alexander; Makongo, Julien P. A.; Bobev, Svilen","Yet again, new compounds found in systems with known binary phase diagrams. Synthesis, crystal and electronic structure of Nd<sub>3</sub>Bi<sub>7</sub> and Sm<sub>3</sub>Bi<sub>7</sub>.","Chemical communications (Cambridge, England)","2018","54","51","7089","7092","10.1039/c8cc02563k","","","0.71073","MoKα","","0.058","0.0426","","","0.0857","0.0924","","","","","","1.001","","","","has coordinates","228016","2020-10-21","18:00:00",""
"7121801","13.107","0.003","5.8099","0.0012","19.648","0.004","90","","102.575","0.007","90","","1460.3","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenanthridine","6-(4-methoxyphenyl)phenanthridine","","- C20 H15 N O -","- C20 H15 N O -","- C80 H60 N4 O4 -","4","1","","Jaiswal, Yogesh; Kumar, Yogesh; Pal, Jagannath; Subramanian, Ranga; Kumar, Amit","Rapid synthesis of polysubstituted phenanthridines from simple aliphatic/aromatic nitriles and iodo arenes via Pd(ii) catalyzed domino C-C/C-C/C-N bond formation.","Chemical communications (Cambridge, England)","2018","54","52","7207","7210","10.1039/c8cc03556c","","","0.71073","MoKα","","0.1355","0.0543","","","0.1112","0.1396","","","","","","0.996","","","","has coordinates","228189","2020-10-21","18:00:00",""
"7121802","12.4709","0.0004","20.2287","0.0006","36.0755","0.0011","90","","90.1168","0.0019","90","","9100.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Lu N3 Si3 -","- C42 H72 Lu N3 Si3 -","- C336 H576 Lu8 N24 Si24 -","8","2","","Boteju, Kasuni C.; Wan, Suchen; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Rare earth arylsilazido compounds with inequivalent secondary interactions.","Chemical communications (Cambridge, England)","2018","54","53","7318","7321","10.1039/c8cc03186j","","","1.54178","CuKα","","0.0409","0.0399","","","0.1009","0.1016","","","","","","1.026","","","","has coordinates","228090","2020-10-21","18:00:00",""
"7121803","18.7125","0.0003","31.04","0.0006","20.6586","0.0004","90","","93.071","0.001","90","","11982","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H98 N3 O Si3 Y -","- C57.5 H98 N3 O Si3 Y -","- C460 H784 N24 O8 Si24 Y8 -","8","2","","Boteju, Kasuni C.; Wan, Suchen; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Rare earth arylsilazido compounds with inequivalent secondary interactions.","Chemical communications (Cambridge, England)","2018","54","53","7318","7321","10.1039/c8cc03186j","","","1.54178","CuKα","","0.0542","0.0387","","","0.0948","0.1041","","","","","","1.001","","","","has coordinates","228090","2020-10-21","18:00:00",""
"7121804","12.3546","0.0005","20.0869","0.001","35.9838","0.0019","90","","90.113","0.002","90","","8929.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 N3 Sc Si3 -","- C42 H72 N3 Sc Si3 -","- C336 H576 N24 Sc8 Si24 -","8","2","","Boteju, Kasuni C.; Wan, Suchen; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Rare earth arylsilazido compounds with inequivalent secondary interactions.","Chemical communications (Cambridge, England)","2018","54","53","7318","7321","10.1039/c8cc03186j","","","0.71073","MoKα","","0.0674","0.0451","","","0.0919","0.1002","","","","","","1.044","","","","has coordinates","228090","2020-10-21","18:00:00",""
"7121805","12.5095","0.0003","20.2927","0.0005","36.0731","0.0009","90","","90.412","0.002","90","","9157","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 N3 Si3 Y -","- C42 H72 N3 Si3 Y -","- C336 H576 N24 Si24 Y8 -","8","2","","Boteju, Kasuni C.; Wan, Suchen; Venkatesh, Amrit; Ellern, Arkady; Rossini, Aaron J.; Sadow, Aaron D.","Rare earth arylsilazido compounds with inequivalent secondary interactions.","Chemical communications (Cambridge, England)","2018","54","53","7318","7321","10.1039/c8cc03186j","","","1.54178","CuKα","","0.0546","0.0531","","","0.1215","0.1221","","","","","","1.287","","","","has coordinates","228090","2020-10-21","18:00:00",""
"7121806","25.1402","0.0007","25.1402","0.0007","25.1402","0.0007","90","","90","","90","","15889.4","0.8","100","0.1","100","0.1","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C55 H60 N3 O38.5 Y6 -","- C55.0006 H51.5 N3.0003 O37.5 Y6 -","- C440.005 H412 N24.0024 O300 Y48 -","8","0.166667","","Xue, Dong-Xu; Cadiau, Amandine; Weseliński, Łukasz J.; Jiang, Hao; Bhatt, Prashant M.; Shkurenko, Aleksander; Wojtas, Lukasz; Zhijie, Chen; Belmabkhout, Youssef; Adil, Karim; Eddaoudi, Mohamed","Topology meets MOF chemistry for pore-aperture fine tuning: ftw-MOF platform for energy-efficient separations via adsorption kinetics or molecular sieving","Chemical Communications","2018","","","","","10.1039/C8CC03841D","","","1.54178","CuKα","","0.1496","0.1252","","","0.3101","0.3342","","","","","","1.169","","","","has coordinates,has disorder","208150","2020-10-21","18:00:00",""
"7121807","18.232","0.001","18.232","0.001","45.607","0.003","90","","90","","120","","13129","1.3","100","0.1","100","0.1","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C56.5 H59 N9.5 O36.75 Tb6 -","- C56.496 H52.484 N9.996 O36.75 Tb6 -","- C338.976 H314.904 N59.976 O220.5 Tb36 -","6","","","Xue, Dong-Xu; Cadiau, Amandine; Weseliński, Łukasz J.; Jiang, Hao; Bhatt, Prashant M.; Shkurenko, Aleksander; Wojtas, Lukasz; Zhijie, Chen; Belmabkhout, Youssef; Adil, Karim; Eddaoudi, Mohamed","Topology meets MOF chemistry for pore-aperture fine tuning: ftw-MOF platform for energy-efficient separations via adsorption kinetics or molecular sieving","Chemical Communications","2018","","","","","10.1039/C8CC03841D","","","1.54178","CuKα","","0.0513","0.0433","","","0.1154","0.1187","","","","","","1.118","","","","has coordinates,has disorder","208150","2020-10-21","18:00:00",""
"7121808","9.3555","0.0003","14.6772","0.0003","20.6011","0.0004","90","","89.668","0.002","90","","2828.74","0.12","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 B N6 O2 Si W -","- C24 H35 B N6 O2 Si W -","- C96 H140 B4 N24 O8 Si4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","x-ray","0.71073","MoKα","","0.0471","0.0307","","","0.0566","0.0636","","","","","","1.042","","","","has coordinates","228060","2020-10-21","18:00:00",""
"7121809","12.636","0.0004","14.8272","0.0005","16.3046","0.0006","90","","109.839","0.004","90","","2873.47","0.18","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N6 O2 Si W -","- C25 H37 B N6 O2 Si W -","- C100 H148 B4 N24 O8 Si4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","x-ray","0.71073","MoKα","","0.0525","0.0327","","","0.061","0.0708","","","","","","1.103","","","","has coordinates","228060","2020-10-21","18:00:00",""
"7121810","11.0937","0.0003","13.1532","0.0003","22.7516","0.0004","91.059","0.002","98.161","0.002","108.441","0.002","3110.38","0.13","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H80 B2 N12 O4 Si2 W2 -","- C53 H80 B2 N12 O4 Si2 W2 -","- C106 H160 B4 N24 O8 Si4 W4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","x-ray","0.71073","MoKα","","0.0381","0.0287","","","0.0575","0.0618","","","","","","1.076","","","","has coordinates,has disorder","228060","2020-10-21","18:00:00",""
"7121811","20.1159","0.0013","8.9951","0.0005","17.9253","0.0011","90","","93.382","0.002","90","","3237.8","0.3","302","2","302","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Cl N O -","- C19 H18 Cl N O -","- C152 H144 Cl8 N8 O8 -","8","1","","Gupta, Sonu; Chandna, Nisha; Dubey, Pooja; Singh, Ajai K.; Jain, Nidhi","GO-Cu<sub>7</sub>S<sub>4</sub> catalyzed ortho-aminomethylation of phenol derivatives with N,N-dimethylbenzylamines: site-selective oxidative CDC.","Chemical communications (Cambridge, England)","2018","54","54","7511","7514","10.1039/c8cc03396j","","","0.71073","MoKα","","0.0726","0.0663","","","0.1633","0.1692","","","","","","1.134","","","","has coordinates","228559","2020-10-21","18:00:00",""
"7121812","5.7386","0.0004","9.5416","0.0007","18.3137","0.0013","90","","90","","90","","1002.77","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Wu, Kui; Du, Yuliu; Wei, Zheng; Wang, Ting","Synthesis of functionalized pyrroloindolines via a visible-light-induced radical cascade reaction: rapid synthesis of (±)-flustraminol B.","Chemical communications (Cambridge, England)","2018","54","54","7443","7446","10.1039/c8cc03575j","","","0.71073","MoKα","","0.0572","0.0449","","","0.0903","0.096","","","","","","1.052","","","","has coordinates","228562","2020-10-21","18:00:00",""
"7121813","28.7011","0.0014","9.388","0.0005","8.9139","0.0004","90","","99.23","0.002","90","","2370.7","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","1","","Wu, Kui; Du, Yuliu; Wei, Zheng; Wang, Ting","Synthesis of functionalized pyrroloindolines via a visible-light-induced radical cascade reaction: rapid synthesis of (±)-flustraminol B.","Chemical communications (Cambridge, England)","2018","54","54","7443","7446","10.1039/c8cc03575j","","","0.71073","MoKα","","0.0619","0.0483","","","0.1152","0.1233","","","","","","1.063","","","","has coordinates","228562","2020-10-21","18:00:00",""
"7121814","10.0822","0.0004","10.8747","0.0004","12.0033","0.0005","106.883","0.003","90.592","0.003","103.9","0.002","1217.9","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 N O P -","- C26 H37 N O P -","- C52 H74 N2 O2 P2 -","2","1","","Mai, Juri; Arkhypchuk, Anna I.; Gupta, Arvind Kumar; Ott, Sascha","Reductive coupling of two aldehydes to unsymmetrical E-alkenes via phosphaalkene and phosphinate intermediates.","Chemical communications (Cambridge, England)","2018","54","52","7163","7166","10.1039/c8cc04218g","","","0.71073","MoKα","","0.0657","0.0483","","","0.1181","0.1315","","","","","","1.036","","","","has coordinates","228188","2020-10-21","18:00:00",""
"7121815","10.7916","0.001","17.0045","0.0017","17.0443","0.0017","90.205","0.002","96.705","0.002","106.832","0.002","2971","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H85 Cl3 N2 O6 P2 -","- C57 H85 Cl3 N2 O6 P2 -","- C114 H170 Cl6 N4 O12 P4 -","2","1","","Mai, Juri; Arkhypchuk, Anna I.; Gupta, Arvind Kumar; Ott, Sascha","Reductive coupling of two aldehydes to unsymmetrical E-alkenes via phosphaalkene and phosphinate intermediates.","Chemical communications (Cambridge, England)","2018","54","52","7163","7166","10.1039/c8cc04218g","","","0.71073","MoKα","","0.1232","0.0827","","","0.2224","0.2608","","","","","","1.028","","","","has coordinates,has disorder","228188","2020-10-21","18:00:00",""
"7121816","19.83","0.003","22.082","0.004","27.967","0.005","86.839","0.003","77.529","0.003","75.246","0.003","11563","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C209 H298 N36 O33 P2 -","- C208 H255 N36 O33 P2 -","- C416 H510 N72 O66 P4 -","2","1","","Zuo, Wei; Huang, Zhe; Zhao, Yanxia; Xu, Wenhua; Liu, Zhihua; Yang, Xiao-Juan; Jia, Chuandong; Wu, Biao","Chirality sensing of choline derivatives by a triple anion helicate cage through induced circular dichroism.","Chemical communications (Cambridge, England)","2018","54","53","7378","7381","10.1039/c8cc03883j","","","0.71073","MoKα","","0.1531","0.1051","","","0.2282","0.2449","","","","","","1.164","","","","has coordinates","228089","2020-10-21","18:00:00",""
"7121817","9.0399","0.0006","10.7529","0.0007","12.1907","0.0008","84.915","0.004","70.321","0.004","80.746","0.004","1100.51","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 I N2 O3 -","- C22 H29 I N2 O3 -","- C44 H58 I2 N4 O6 -","2","1","","Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan","Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.","Chemical communications (Cambridge, England)","2018","54","53","7374","7377","10.1039/c8cc03941k","","","1.54178","CuKα","","0.0652","0.0496","","","0.105","0.1139","","","","","","1.082","","","","has coordinates,has disorder","228088","2020-10-21","18:00:00",""
"7121818","7.9255","0.0005","9.259","0.0006","15.1784","0.0009","96.993","0.002","98.728","0.002","98.758","0.002","1076.06","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cl2 N4 O6 -","- C44 H58 Cl2 N4 O6 -","- C44 H58 Cl2 N4 O6 -","1","0.5","","Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan","Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.","Chemical communications (Cambridge, England)","2018","54","53","7374","7377","10.1039/c8cc03941k","","","1.54178","CuKα","","0.0645","0.063","","","0.171","0.1726","","","","","","1.093","","","","has coordinates,has disorder","228088","2020-10-21","18:00:00",""
"7121819","12.698","0.0005","17.0155","0.0008","23.0412","0.001","90","","96.201","0.002","90","","4949.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H55 F12 N7 O4 P2 -","- C46 H52 F12 N7 O4 P2 -","- C184 H208 F48 N28 O16 P8 -","4","1","","Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan","Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.","Chemical communications (Cambridge, England)","2018","54","53","7374","7377","10.1039/c8cc03941k","","","1.54178","CuKα","","0.101","0.0901","","","0.2703","0.2855","","","","","","1.022","","","","has coordinates,has disorder","228088","2020-10-21","18:00:00",""
"7121820","8.303","0.001","28.106","0.004","9.5912","0.0012","90","","104.697","0.002","90","","2165","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Br2 N4 O6 -","- C44 H58 Br2 N4 O6 -","- C88 H116 Br4 N8 O12 -","2","0.5","","Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan","Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.","Chemical communications (Cambridge, England)","2018","54","53","7374","7377","10.1039/c8cc03941k","","","0.71073","MoKα","","0.0358","0.0317","","","0.0776","0.0795","","","","","","1.047","","","","has coordinates,has disorder","228088","2020-10-21","18:00:00",""
"7121821","10.1404","0.0013","10.1404","0.0013","10.1404","0.0013","90","","90","","90","","1042.7","0.2","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ce2 Cl12 Ni4 -","- Ce2 Cl12 Ni4 -","- Ce4 Cl24 Ni8 -","2","0.0104167","","Baldo, Bianca; Rubio, Francisco; Flores, Erwin; Vega, Andres; Audebrand, Nathalie; Venegas-Yazigi, Diego; Paredes-García, Verónica","Ni<sub>2</sub>[LnCl<sub>6</sub>] (Ln = Eu<sup>II</sup>, Ce<sup>II</sup>, Gd<sup>II</sup>): the first Ln<sup>II</sup> compounds stabilized in a pure inorganic lattice.","Chemical communications (Cambridge, England)","2018","54","54","7531","7534","10.1039/c7cc09921e","","","0.71073","MoKα","","0.0493","0.0479","","","0.1118","0.1131","","","","","","1.213","","","","has coordinates","228560","2020-10-21","18:00:00",""
"7121822","10.1666","0.0013","10.1666","0.0013","10.1666","0.0013","90","","90","","90","","1050.8","0.2","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl12 Eu2 Ni4 -","- Cl12 Eu2 Ni4 -","- Cl24 Eu4 Ni8 -","2","0.0104167","","Baldo, Bianca; Rubio, Francisco; Flores, Erwin; Vega, Andres; Audebrand, Nathalie; Venegas-Yazigi, Diego; Paredes-García, Verónica","Ni<sub>2</sub>[LnCl<sub>6</sub>] (Ln = Eu<sup>II</sup>, Ce<sup>II</sup>, Gd<sup>II</sup>): the first Ln<sup>II</sup> compounds stabilized in a pure inorganic lattice.","Chemical communications (Cambridge, England)","2018","54","54","7531","7534","10.1039/c7cc09921e","","","0.71073","MoKα","","0.0534","0.0473","","","0.1326","0.1401","","","","","","1.131","","","","has coordinates","228560","2020-10-21","18:00:00",""
"7121823","10.1164","0.0004","10.1164","0.0004","10.1164","0.0004","90","","90","","90","","1035.33","0.07","296","2","296","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cl12 Gd2 Ni4 -","- Cl12 Gd2 Ni4 -","- Cl24 Gd4 Ni8 -","2","0.0104167","","Baldo, Bianca; Rubio, Francisco; Flores, Erwin; Vega, Andres; Audebrand, Nathalie; Venegas-Yazigi, Diego; Paredes-García, Verónica","Ni<sub>2</sub>[LnCl<sub>6</sub>] (Ln = Eu<sup>II</sup>, Ce<sup>II</sup>, Gd<sup>II</sup>): the first Ln<sup>II</sup> compounds stabilized in a pure inorganic lattice.","Chemical communications (Cambridge, England)","2018","54","54","7531","7534","10.1039/c7cc09921e","","","0.71073","MoKα","","0.0384","0.0375","","","0.1012","0.1017","","","","","","1.266","","","","has coordinates","228560","2020-10-21","18:00:00",""
"7121824","10.344","0.008","15.31","0.009","15.375","0.01","96.097","0.014","93.5","0.02","101.648","0.017","2363","3","293","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H71 B N4 -","- C57 H71 B N4 -","- C114 H142 B2 N8 -","2","1","","Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger","Cleavage of BN triple bonds by main group reagents.","Chemical communications (Cambridge, England)","2018","54","59","8210","8213","10.1039/c8cc02317d","","","0.71073","MoKα","","0.0904","0.0458","","","0.0969","0.1135","","","","","","1.01","","","","has coordinates,has disorder","228552","2020-10-21","18:00:00",""
"7121825","19.1168","0.0009","17.0388","0.0008","21.9556","0.0008","90","","105.534","0.002","90","","6890.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 B N5 Si -","- C34 H56 B N5 Si -","- C272 H448 B8 N40 Si8 -","8","2","","Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger","Cleavage of BN triple bonds by main group reagents.","Chemical communications (Cambridge, England)","2018","54","59","8210","8213","10.1039/c8cc02317d","","","0.71073","MoKα","","0.0572","0.0384","","","0.0918","0.1018","","","","","","0.906","","","","has coordinates,has disorder","228552","2020-10-21","18:00:00",""
"7121826","13.134","0.005","16.944","0.003","19.889","0.005","79.28","0.03","81.864","0.015","73.209","0.015","4145","2","293","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H59 B N4 -","- C50 H59 B N4 -","- C200 H236 B4 N16 -","4","2","","Winner, Lena; Hermann, Alexander; Bélanger-Chabot, Guillaume; González-Belman, Oscar F; Jiménez-Halla, J Oscar C; Kelch, Hauke; Braunschweig, Holger","Cleavage of BN triple bonds by main group reagents.","Chemical communications (Cambridge, England)","2018","54","59","8210","8213","10.1039/c8cc02317d","","","0.71073","MoKα","","0.1821","0.0735","","","0.1467","0.1909","","","","","","0.98","","","","has coordinates","228552","2020-10-21","18:00:00",""
"7121827","9.814","0.002","9.916","0.002","25.156","0.005","90","","90.477","0.004","90","","2448","0.9","100","2","100","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N7 O2 -","- C27 H29 N7 O2 -","- C108 H116 N28 O8 -","4","1","","Karvande, Anirudha; Khan, Shahnawaz; Khan, Irfan; Singh, Deepti; Khedgikar, Vikram; Kushwaha, Priyanka; Ahmad, Naseer; Kothari, Priyanka; Dhasmana, Anupam; Kant, Ruchir; Trivedi, Ritu; Chauhan, Prem M. S.","Discovery of a tetrazolyl β-carboline with <i>in vitro</i> and <i>in vivo</i> osteoprotective activity under estrogen-deficient conditions.","MedChemComm","2018","9","7","1213","1225","10.1039/c8md00109j","","","0.71073","MoKα","","0.1147","0.0633","","","0.1445","0.1895","","","","","","1.078","","","","has coordinates","230136","2020-10-21","18:00:00",""
"7121828","8.3324","0.0007","18.0049","0.0015","18.9382","0.0019","90","","90","","90","","2841.2","0.4","296.32","0.1","296.32","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F2 N O2 -","- C17 H13 F2 N O2 -","- C136 H104 F16 N8 O16 -","8","1","","Ma, Xingxing; Mai, Shaoyu; Zhou, Yao; Cheng, Gui-Juan; Song, Qiuling","Dual role of ethyl bromodifluoroacetate in the formation of fluorine-containing heteroaromatic compounds.","Chemical communications (Cambridge, England)","2018","54","65","8960","8963","10.1039/c8cc04298e","","x-ray","0.71073","MoKα","","0.0657","0.0445","","","0.1082","0.1237","","","","","","1.0611","","","","has coordinates","228538","2020-10-21","18:00:00",""
"7121829","14.0234","0.0005","10.7448","0.0004","15.7641","0.0007","90","","94.765","0.004","90","","2367.1","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O14 S12 Zn -","- C34 H40 N2 O14 S12 Zn -","- C68 H80 N4 O28 S24 Zn2 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71073","MoKα","","0.0455","0.039","","","0.1035","0.109","","","","","","1.06","","","","has coordinates","228091","2020-10-21","18:00:00",""
"7121830","13.904","0.003","10.668","0.002","15.757","0.003","90","","95.34","0.03","90","","2327.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Mn N2 O14 S12 -","- C34 H36 Mn N2 O14 S12 -","- C68 H72 Mn2 N4 O28 S24 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71073","MoKα","","0.1574","0.1028","","","0.1512","0.1713","","","","","","1.046","","","","has coordinates","228091","2020-10-21","18:00:00",""
"7121831","13.956","0.003","10.755","0.003","15.612","0.004","90","","94.237","0.004","90","","2336.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 O14 S12 Zn -","- C34 H40 N2 O14 S12 Zn -","- C68 H80 N4 O28 S24 Zn2 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71075","MoKα","","0.0629","0.0428","","","0.1055","0.1161","","","","","","0.991","","","","has coordinates","228091","2020-10-21","18:00:00",""
"7121832","13.957","0.003","10.7952","0.0019","15.701","0.003","90","","94.815","0.004","90","","2357.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Mn N2 O14 S12 -","- C34 H40 Mn N2 O14 S12 -","- C68 H80 Mn2 N4 O28 S24 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71075","MoKα","","0.0809","0.0478","","","0.1173","0.1348","","","","","","0.93","","","","has coordinates","228091","2020-10-21","18:00:00",""
"7121833","14.2765","0.0019","10.2073","0.0013","16.037","0.002","90","","92.05","0.005","90","","2335.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N2 O14 S12 Zn -","- C34 H30 N2 O14 S12 Zn -","- C68 H60 N4 O28 S24 Zn2 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71073","MoKα","","0.1121","0.0872","","","0.1764","0.1917","","","","","","1.134","","","","has coordinates","228091","2020-10-21","18:00:00",""
"7121834","14.0309","0.001","10.3024","0.0007","16.0378","0.0009","90","","93.634","0.002","90","","2313.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Mn N2 O14 S12 -","- C34 H18 Mn N2 O14 S12 -","- C68 H36 Mn2 N4 O28 S24 -","2","0.5","","Zhang, Ping; Huo, Peng; Zhang, Xuan; Zhu, Qin-Yu; Dai, Jie","C-C to C[double bond, length as m-dash]C conversion within a supramolecular framework of tetrathiafulvalene: a confinement effect and an oxygen related dehydrogenation.","Chemical communications (Cambridge, England)","2018","54","53","7334","7337","10.1039/c8cc03197e","","","0.71073","MoKα","","0.1134","0.0884","","","0.1696","0.1863","","","","","","1.068","","","","has coordinates,has disorder","228091","2020-10-21","18:00:00",""
"7121835","9.7222","0.0003","7.91107","0.00017","11.6743","0.0003","90","","102.086","0.003","90","","878","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Riemer, Martin; Uzunova, Veselina V.; Riemer, Nastja; Clarkson, Guy J.; Pereira, Nicole; Napier, Richard; Shipman, Michael","Phyllostictine A: total synthesis, structural verification and determination of substructure responsible for plant growth inhibition.","Chemical communications (Cambridge, England)","2018","54","52","7211","7214","10.1039/c8cc03349h","","x-ray","1.54184","CuKα","","0.0402","0.0382","","","0.1094","0.1115","","","","","","1.074","","","","has coordinates","228190","2020-10-21","18:00:00",""
"7121836","15.5057","0.0008","9.2475","0.0005","11.6104","0.0005","90","","108.886","0.0017","90","","1575.17","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4of","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Hayashi, Hirohito; Kaga, Atsushi; Wang, Bin; Gagosz, Fabien; Chiba, Shunsuke","Use of a benzyl ether as a traceless hydrogen donor in the anti-Markovnikov hydrofunctionalization of alkenes with xanthates.","Chemical communications (Cambridge, England)","2018","54","54","7535","7538","10.1039/c8cc02971g","","","0.71073","MoKα","","0.1145","0.0883","","","0.2154","0.2461","","","","","","1.026","","","","has coordinates","228561","2020-10-21","18:00:00",""
"7121837","6.8599","0.001","7.353","0.0012","8.4999","0.0011","90","","99.069","0.013","90","","423.38","0.11","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C H4 Cl3 K N2 O Zn -","- C H4 Cl3 K N2 O Zn -","- C2 H8 Cl6 K2 N4 O2 Zn2 -","2","0.5","","Casali, Lucia; Mazzei, Luca; Shemchuk, Oleksii; Honer, Kenneth; Grepioni, Fabrizia; Ciurli, Stefano; Braga, Dario; Baltrusaitis, Jonas","Smart urea ionic co-crystals with enhanced urease inhibition activity for improved nitrogen cycle management.","Chemical communications (Cambridge, England)","2018","54","55","7637","7640","10.1039/c8cc03777a","","x-ray","0.71073","MoKα","","0.0983","0.0589","","","0.0876","0.1006","","","","","","0.997","","","","has coordinates,has disorder","228054","2020-10-21","18:00:00",""
"7121838","7.422","0.0006","13.553","0.001","8.4219","0.0005","90","","92.089","0.007","90","","846.6","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C H4 Cl3 K N2 O Zn -","- C H4 Cl3 K N2 O Zn -","- C4 H16 Cl12 K4 N8 O4 Zn4 -","4","1","","Casali, Lucia; Mazzei, Luca; Shemchuk, Oleksii; Honer, Kenneth; Grepioni, Fabrizia; Ciurli, Stefano; Braga, Dario; Baltrusaitis, Jonas","Smart urea ionic co-crystals with enhanced urease inhibition activity for improved nitrogen cycle management.","Chemical communications (Cambridge, England)","2018","54","55","7637","7640","10.1039/c8cc03777a","","x-ray","0.71073","MoKα","","0.0523","0.0305","","","0.0836","0.092","","","","","","0.6","","","","has coordinates","228054","2020-10-21","18:00:00",""
"7121839","9.955","0.003","5.5629","0.0019","12.732","0.004","90","","92.902","0.009","90","","704.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C28 H32 N4 O4 S2 -","2","1","","Wang, Miao; Tang, Bo-Cheng; Wang, Jun-Gang; Xiang, Jia-Chen; Guan, Ao-Yu; Huang, Ping-Ping; Guo, Wu-Yinzheng; Wu, Yan-Dong; Wu, An-Xin","The triple role of rongalite in aminosulfonylation of aryldiazonium tetrafluoroborates: synthesis of N-aminosulfonamides via a radical coupling reaction.","Chemical communications (Cambridge, England)","2018","54","55","7641","7644","10.1039/c8cc03778g","","","0.71073","MoKα","","0.1102","0.0975","","","0.2489","0.291","","","","","","1.243","","","","has coordinates","228059","2020-10-21","18:00:00",""
"7121840","7.69761","0.00017","12.2794","0.0002","8.18769","0.00018","90","","110.677","0.003","90","","724.07","0.03","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C34 H36 O8 -","2","1","","Shu, Tao; Li, Sun; Chen, Xiang-Yu; Liu, Qiang; von Essen, Carolina; Rissanen, Kari; Enders, Dieter","Asymmetric synthesis of functionalized tetrahydrofluorenones via an NHC-catalyzed homoenolate Michael addition.","Chemical communications (Cambridge, England)","2018","54","55","7661","7664","10.1039/c8cc04145h","","x-ray","1.54184","CuKα","","0.042","0.0414","","","0.1064","0.1076","","","","","","1.031","","","","has coordinates","228058","2020-10-21","18:00:00",""
"7121841","15.443","0.0013","11.2028","0.001","15.4669","0.0012","90","","117.896","0.003","90","","2364.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N4 S -","- C25 H34 N4 S -","- C100 H136 N16 S4 -","4","1","","Ruamps, Mirko; Bastin, Stéphanie; Rechignat, Lionel; Sournia-Saquet, Alix; Valyaev, Dmitry A.; Mouesca, Jean-Marie; Lugan, Noël; Maurel, Vincent; César, Vincent","Unveiling the redox-active character of imidazolin-2-thiones derived from amino-substituted N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2018","54","55","7653","7656","10.1039/c8cc03934h","","x-ray","0.71073","MoKα","","0.0431","0.0345","","","0.0852","0.0918","","","","","","1.015","","","","has coordinates","228061","2020-10-21","18:00:00",""
"7121842","11.9044","0.0005","12.9628","0.0006","13.2255","0.0006","60.88","0.001","78.818","0.001","80.295","0.001","1742.51","0.14","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H37 F12 N5 S Sb2 -","- C27 H37 F12 N5 S Sb2 -","- C54 H74 F24 N10 S2 Sb4 -","2","1","","Ruamps, Mirko; Bastin, Stéphanie; Rechignat, Lionel; Sournia-Saquet, Alix; Valyaev, Dmitry A.; Mouesca, Jean-Marie; Lugan, Noël; Maurel, Vincent; César, Vincent","Unveiling the redox-active character of imidazolin-2-thiones derived from amino-substituted N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2018","54","55","7653","7656","10.1039/c8cc03934h","","x-ray","0.71073","MoKα","","0.0203","0.019","","","0.0503","0.0515","","","","","","1.04","","","","has coordinates","228061","2020-10-21","18:00:00",""
"7121843","7.6651","0.0003","12.4842","0.0006","18.5353","0.0008","90","","90","","90","","1773.69","0.13","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","FJ14-006","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Feng, Jing; Yu, Tianzi; Zhang, Zhijiang; Li, Jinpeng; Fu, Shaomin; Chen, Juan; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered ring of trigoxyphin A.","Chemical communications (Cambridge, England)","2018","54","55","7665","7668","10.1039/c8cc04351e","","","1.54178","","","0.0374","0.037","","","0.1103","0.1108","","","","","","1.157","","","","has coordinates","228056","2020-10-21","18:00:00",""
"7121844","8.9598","0.0003","11.7903","0.0003","17.2249","0.0005","90","","90","","90","","1819.62","0.09","292.85","0.19","292.85","0.19","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Feng, Jing; Yu, Tianzi; Zhang, Zhijiang; Li, Jinpeng; Fu, Shaomin; Chen, Juan; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered ring of trigoxyphin A.","Chemical communications (Cambridge, England)","2018","54","55","7665","7668","10.1039/c8cc04351e","","x-ray","1.54184","CuKα","","0.057","0.0555","","","0.1315","0.1343","","","","","","1.108","","","","has coordinates","228056","2020-10-21","18:00:00",""
"7121845","10.619","0.002","9.676","0.002","28.661","0.006","90","","90","","90","","2944.9","1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C152 H144 N16 -","8","1","","Liu, Siyuan; Qu, Jingping; Wang, Baomin","Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades.","Chemical communications (Cambridge, England)","2018","54","57","7928","7931","10.1039/c8cc03804j","","","0.71073","MoKα","","0.0659","0.0427","","","0.1076","0.123","","","","","","1.04","","","","has coordinates","228264","2020-10-21","18:00:00",""
"7121846","9.4242","0.0004","7.9644","0.0003","19.9745","0.0008","90","","99.582","0.002","90","","1478.33","0.1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Liu, Siyuan; Qu, Jingping; Wang, Baomin","Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades.","Chemical communications (Cambridge, England)","2018","54","57","7928","7931","10.1039/c8cc03804j","","","0.71073","MoKα","","0.04","0.0353","","","0.0883","0.0919","","","","","","1.004","","","","has coordinates","228264","2020-10-21","18:00:00",""
"7121847","20.821","0.003","9.5022","0.0012","17.881","0.002","90","","110.124","0.008","90","","3321.7","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 N4 -","- C41 H43 N4 -","- C164 H172 N16 -","4","1","","Liu, Siyuan; Qu, Jingping; Wang, Baomin","Substrate-controlled divergent synthesis of polycyclic indoloazepines and indolodiazepines via 1,5-hydride shift/7-cyclization cascades.","Chemical communications (Cambridge, England)","2018","54","57","7928","7931","10.1039/c8cc03804j","","","0.71073","MoKα","","0.2155","0.0752","","","0.1577","0.2027","","","","","","0.875","","","","has coordinates","228264","2020-10-21","18:00:00",""
"7121848","7.7368","0.0006","16.8658","0.0012","20.2866","0.0014","90","","96.461","0.002","90","","2630.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 N2 O2 S -","- C33 H30 N2 O2 S -","- C132 H120 N8 O8 S4 -","4","1","","Pradhan, Sajan; Shahi, Chandan Kumar; Bhattacharyya, Aditya; Ghorai, Manas K.","Stereoselective synthesis of 3-spiropiperidino indolenines via S<sub>N</sub>2-type ring opening of activated aziridines with 1H-indoles/Pd-catalyzed spirocyclization with propargyl carbonates.","Chemical communications (Cambridge, England)","2018","54","62","8583","8586","10.1039/c8cc04249g","","","0.71073","MoKα","","0.1936","0.0804","","","0.1494","0.186","","","","","","1.023","","","","has coordinates","228477","2020-10-21","18:00:00",""
"7121849","9.3274","0.0004","12.0859","0.0005","12.4207","0.0005","110.921","0.002","90.774","0.002","98.445","0.003","1290.4","0.1","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H64 O12 -","- C66 H64 O12 -","- C66 H64 O12 -","1","0.5","","Chai, Hongxin; Yang, Liu-Pan; Ke, Hua; Pang, Xin-Yu; Jiang, Wei","Allosteric cooperativity in ternary complexes with low symmetry.","Chemical communications (Cambridge, England)","2018","54","55","7677","7680","10.1039/c8cc04195d","","x-ray","1.54178","CuKα","","0.0555","0.0408","","","0.0934","0.1019","","","","","","1.045","","","","has coordinates,has disorder","228057","2020-10-21","18:00:00",""
"7121850","12.3158","0.0004","12.769","0.0004","19.5858","0.0006","85.884","0.002","73.714","0.002","80.961","0.002","2918.52","0.16","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H66 Cl2 O12 -","- C67 H66 Cl2 O12 -","- C134 H132 Cl4 O24 -","2","1","","Chai, Hongxin; Yang, Liu-Pan; Ke, Hua; Pang, Xin-Yu; Jiang, Wei","Allosteric cooperativity in ternary complexes with low symmetry.","Chemical communications (Cambridge, England)","2018","54","55","7677","7680","10.1039/c8cc04195d","","x-ray","1.54178","CuKα","","0.1085","0.0643","","","0.1889","0.2367","","","","","","1.023","","","","has coordinates,has disorder","228057","2020-10-21","18:00:00",""
"7121851","12.6134","0.0003","8.4407","0.0003","17.1212","0.0005","90","","94.76","0.002","90","","1816.54","0.09","290.55","0.16","290.55","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 F O -","- C22 H23 F O -","- C88 H92 F4 O4 -","4","1","","Xu, Ming-Hui; Dai, Kun-Long; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","A catalytic allylic cation-induced intermolecular allylation-semipinacol rearrangement.","Chemical communications (Cambridge, England)","2018","54","55","7685","7688","10.1039/c8cc04285c","","","1.54184","CuKα","","0.0573","0.0492","","","0.1311","0.139","","","","","","1.038","","","","has coordinates","228062","2020-10-21","18:00:00",""
"7121852","18.308","0.0005","19.0516","0.0006","6.2276","0.00018","90","","90","","90","","2172.17","0.11","292.6","0.5","292.6","0.5","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H28 O -","- C28 H28 O -","- C112 H112 O4 -","4","1","","Xu, Ming-Hui; Dai, Kun-Long; Tu, Yong-Qiang; Zhang, Xiao-Ming; Zhang, Fu-Min; Wang, Shao-Hua","A catalytic allylic cation-induced intermolecular allylation-semipinacol rearrangement.","Chemical communications (Cambridge, England)","2018","54","55","7685","7688","10.1039/c8cc04285c","","","1.54184","CuKα","","0.0347","0.0314","","","0.0792","0.0817","","","","","","1.076","","","","has coordinates","228062","2020-10-21","18:00:00",""
"7121853","15.4304","0.0005","14.9823","0.0004","16.4747","0.0005","90","","90","","90","","3808.7","0.2","295.4","0.2","295.4","0.2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Br Cl N2 O Rh -","- C17 H21 Br Cl N2 O Rh -","- C136 H168 Br8 Cl8 N16 O8 Rh8 -","8","1","","He, Shuang; Tan, Guangying; Luo, Anping; You, Jingsong","Rhodium-catalyzed oxidative C-H/C-H cross-coupling of aniline with heteroarene: N-nitroso group enabled mild conditions.","Chemical communications (Cambridge, England)","2018","54","56","7794","7797","10.1039/c8cc04027c","","x-ray","1.54184","CuKα","","0.0587","0.0555","","","0.1466","0.1519","","","","","","1.082","","","","has coordinates","228138","2020-10-21","18:00:00",""
"7121854","13.3518","0.0006","14.4685","0.0007","17.3377","0.0007","98.233","0.004","97.872","0.004","90.686","0.004","3281.8","0.3","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C65 H64 B Cl F20 Mg N2 O Si2 -","- C65 H64 B Cl F20 Mg N2 O Si2 -","- C130 H128 B2 Cl2 F40 Mg2 N4 O2 Si4 -","2","1","","Pahl, Jürgen; Elsen, Holger; Friedrich, Alexander; Harder, Sjoerd","Unsupported metal silyl ether coordination.","Chemical communications (Cambridge, England)","2018","54","56","7846","7849","10.1039/c8cc04517h","","x-ray","1.54184","CuKα","","0.0409","0.0365","","","0.0951","0.0995","","","","","","1.033","","","","has coordinates","228139","2020-10-21","18:00:00",""
"7121855","7.2994","0.0002","9.0319","0.0003","14.3088","0.0003","84.935","0.002","77.163","0.002","84.614","0.002","913.49","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N2 O4 S2 -","- C44 H42 N2 O4 S2 -","- C44 H42 N2 O4 S2 -","1","0.5","","Hu, Yingyuan; Wang, Zhenfeng; Jiang, Xiaofang; Cai, Xinyi; Su, Shi-Jian; Huang, Fei; Cao, Yong","One-step synthesis of cyclic compounds towards easy room-temperature phosphorescence and deep blue thermally activated delayed fluorescence.","Chemical communications (Cambridge, England)","2018","54","56","7850","7853","10.1039/c8cc03833c","","x-ray","1.54184","CuKα","","0.0426","0.0414","","","0.1107","0.1114","","","","","","1.075","","","","has coordinates","228137","2020-10-21","18:00:00",""
"7121856","13.5501","0.0006","4.9755","0.0002","23.1851","0.001","90","","100.243","0.004","90","","1538.19","0.12","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N2 O6 S2 -","- C38 H30 N2 O6 S2 -","- C76 H60 N4 O12 S4 -","2","0.5","","Hu, Yingyuan; Wang, Zhenfeng; Jiang, Xiaofang; Cai, Xinyi; Su, Shi-Jian; Huang, Fei; Cao, Yong","One-step synthesis of cyclic compounds towards easy room-temperature phosphorescence and deep blue thermally activated delayed fluorescence.","Chemical communications (Cambridge, England)","2018","54","56","7850","7853","10.1039/c8cc03833c","","x-ray","1.54184","CuKα","","0.0435","0.0411","","","0.1165","0.119","","","","","","1.06","","","","has coordinates","228137","2020-10-21","18:00:00",""
"7121857","10.7258","0.0012","18.871","0.002","16.3402","0.0017","90","","93.244","0.002","90","","3302.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F12 N8 Ni P2 -","- C30 H28 F12 N8 Ni P2 -","- C120 H112 F48 N32 Ni4 P8 -","4","1","","Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling","Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.","Chemical communications (Cambridge, England)","2018","54","56","7830","7833","10.1039/c8cc03589j","","","0.71073","MoKα","","0.1105","0.0643","","","0.1639","0.1909","","","","","","1.051","","","","has coordinates","228135","2020-10-21","18:00:00",""
"7121858","11.199","0.0007","15.1982","0.0009","19.638","0.0014","90","","90","","90","","3342.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 F12 N8 Ni P2 -","- C30 H28 F12 N8 Ni P2 -","- C120 H112 F48 N32 Ni4 P8 -","4","1","","Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling","Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.","Chemical communications (Cambridge, England)","2018","54","56","7830","7833","10.1039/c8cc03589j","","","0.71073","MoKα","","0.0368","0.0328","","","0.0742","0.0758","","","","","","1.031","","","","has coordinates","228135","2020-10-21","18:00:00",""
"7121859","8.3433","0.0011","28.32","0.004","11.5936","0.0017","90","","90.533","0.004","90","","2739.2","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 F6 N7 Ni P -","- C28 H24 F6 N7 Ni P -","- C112 H96 F24 N28 Ni4 P4 -","4","1","","Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling","Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.","Chemical communications (Cambridge, England)","2018","54","56","7830","7833","10.1039/c8cc03589j","","","0.71073","MoKα","","0.08","0.055","","","0.1201","0.1293","","","","","","1.013","","","","has coordinates","228135","2020-10-21","18:00:00",""
"7121860","14.6723","0.0012","13.3927","0.0012","19.2473","0.0015","90","","108.953","0.002","90","","3577.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F12 N9 P2 Pd -","- C32 H31 F12 N9 P2 Pd -","- C128 H124 F48 N36 P8 Pd4 -","4","1","","Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling","Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.","Chemical communications (Cambridge, England)","2018","54","56","7830","7833","10.1039/c8cc03589j","","","0.71073","MoKα","","0.0496","0.0427","","","0.1135","0.1177","","","","","","1.124","","","","has coordinates,has disorder","228135","2020-10-21","18:00:00",""
"7121861","26.1757","0.0005","26.1757","0.0005","31.6025","0.0009","90","","90","","120","","18752","0.7","203","2","203","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C42 H40 N4 -","- C42 H40 N4 -","- C756 H720 N72 -","18","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.71073","MoKα","","0.1929","0.1056","","","0.2558","0.3099","","","","","","1.017","","","","has coordinates","228265","2020-10-21","18:00:00",""
"7121862","11.5785","0.0007","13.3678","0.0009","19.1989","0.001","80.99","0.003","73.141","0.003","82.786","0.004","2798.7","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H77 F3 N6 O0.29 -","- C60 H77 F3 N6 O0.294 -","- C120 H154 F6 N12 O0.588 -","2","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","","0.71073","MoKα","","0.0942","0.0522","","","0.1287","0.1497","","","","","","1.022","","","","has coordinates","228265","2020-10-21","18:00:00",""
"7121863","11.27","0.002","14.844","0.003","12.708","0.003","90","","114.23","0.03","90","","1938.7","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N6 -","- C46 H46 N6 -","- C92 H92 N12 -","2","0.5","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.7","synchrotron","","0.0998","0.0531","","","0.1269","0.1483","","","","","","0.952","","","","has coordinates","228265","2020-10-21","18:00:00",""
"7121864","7.31","0.0005","24.5621","0.0013","10.1151","0.0007","90","","91.383","0.002","90","","1815.6","0.2","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(7S,7aS)-dimethyl 7-acetoxy-3,7,7a-trimethyl-2-oxo-4,6,7,7a-tetrahydro-1H-indene-5,5(2H)-dicarboxylate","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Burnie, Andrew J.; Evans, P. Andrew","Rhodium-catalyzed [(3+2)+1] carbocyclizations of alkynylidenecyclopropanes with carbon monoxide: construction of polysubstituted bicyclohexa-2,5-dienones.","Chemical communications (Cambridge, England)","2018","54","55","7621","7624","10.1039/c8cc02269k","","","0.71073","MoKα","","0.0574","0.0409","","","0.1074","0.1182","","","","","","1.056","","","","has coordinates","228055","2020-10-21","18:00:00",""
"7121865","23.3559","0.0006","23.3559","0.0006","26.7429","0.0008","90","","90","","90","","14588.2","0.7","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","Zr6(sdba)4(μ3-O)4(μ3-OH)4(HCOO)4(H2O)4","LMOF-601","","- C57.18 H44.44 O40 S4 Zr6 -","- C57.18 H34.9 O40 S4 Zr6 -","- C228.72 H139.6 O160 S16 Zr24 -","4","0.125","","Du, Pei-Yao; Lustig, William P.; Teat, Simon J.; Gu, Wen; Liu, Xin; Li, Jing","A robust two-dimensional zirconium-based luminescent coordination polymer built on a V-shaped dicarboxylate ligand for vapor phase sensing of volatile organic compounds.","Chemical communications (Cambridge, England)","2018","54","58","8088","8091","10.1039/c8cc03496f","","","0.7749","synchrotron","","0.049","0.0365","","","0.1069","0.1149","","","","","","1.127","","","","has coordinates,has disorder","228118","2020-10-21","18:00:00",""
"7121866","14.558","0.005","11.247","0.004","14.392","0.005","90","","90","","90","","2356.5","1.4","203","","203","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H30 Cl F2 N O10 -","- C18 H30 Cl F2 N O10 -","- C72 H120 Cl4 F8 N4 O40 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates.","Chemical communications (Cambridge, England)","2018","54","58","8076","8079","10.1039/c8cc03885f","","","0.71073","MoKα","","0.1599","0.1402","","","0.3273","0.3392","","","","","","1.081","","","","has coordinates,has disorder","228114","2020-10-21","18:00:00",""
"7121867","14.5486","0.0009","11.2914","0.0007","14.5674","0.0008","90","","90","","90","","2393","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H30 Cl F2 N O10 -","- C18 H29 Cl F2 N O10 -","- C72 H116 Cl4 F8 N4 O40 -","4","1","","Wei, Yan-Li; Jing, Jing; Shi, Chao; Ye, Heng-Yun; Wang, Zhong-Xia; Zhang, Yi","Unusual high-temperature reversible phase transition containing dielectric and nonlinear optical switches in host-guest supramolecular crown ether clathrates.","Chemical communications (Cambridge, England)","2018","54","58","8076","8079","10.1039/c8cc03885f","","","0.71073","MoKα","","0.0738","0.0413","","","0.1015","0.1156","","","","","","1.015","","","","has coordinates,has disorder","228114","2020-10-21","18:00:00",""
"7121868","13.4578","0.001","8.6203","0.0007","9.8671","0.0007","90","","116.365","0.003","90","","1025.62","0.14","130","2","130","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H9 I2 N2 P -","- C5 H9 I2 N2 P -","- C20 H36 I8 N8 P4 -","4","0.5","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.017","0.0142","","","0.0274","0.0282","","","","","","1.128","","","","has coordinates,has disorder","228053","2020-10-21","18:00:00",""
"7121869","9.4547","0.0006","19.5345","0.0012","11.8695","0.0007","90","","94.891","0.003","90","","2184.2","0.2","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H32 I N4 P -","- C18 H32 I N4 P -","- C72 H128 I4 N16 P4 -","4","0.5","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0305","0.0243","","","0.0574","0.0608","","","","","","1.074","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121870","7.7774","0.0005","8.4078","0.0006","11.6208","0.0008","84.753","0.004","79.435","0.003","78.409","0.003","730.6","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 I2 N2 P -","- C9 H17 I2 N2 P -","- C18 H34 I4 N4 P2 -","2","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0268","0.0214","","","0.0491","0.0525","","","","","","1.243","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121871","12.5136","0.0007","16.67","0.001","16.872","0.0009","90","","108.146","0.003","90","","3344.5","0.3","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H37 I4 N2 P -","- C27 H37 I4 N2 P -","- C108 H148 I16 N8 P4 -","4","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0313","0.0292","","","0.0757","0.0771","","","","","","1.037","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121872","9.253","0.0006","15.3097","0.0011","16.0029","0.0013","90","","90","","90","","2267","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 I2 N2 P -","- C21 H25 I2 N2 P -","- C84 H100 I8 N8 P4 -","4","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0502","0.0342","","","0.0601","0.0651","","","","","","1.014","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121873","10.7558","0.0006","18.7258","0.0011","16.3345","0.0009","90","","102.309","0.003","90","","3214.3","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl2 I2 N2 P -","- C27 H37 I2 N2 P -","- C108 H148 I8 N8 P4 -","4","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0388","0.0278","","","0.0605","0.0642","","","","","","1.029","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121874","17.18","0.04","6.536","0.015","17.28","0.04","90","","91.34","0.04","90","","1940","8","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Yao, Sheng; Zhang, Kai; Zhou, Quan-Quan; Zhao, Yu; Shi, De-Qing; Xiao, Wen-Jing","Photoredox-promoted alkyl radical addition/semipinacol rearrangement sequences of alkenylcyclobutanols: rapid access to cyclic ketones.","Chemical communications (Cambridge, England)","2018","54","58","8096","8099","10.1039/c8cc04503h","","","0.71073","MoKα","","0.0989","0.0568","","","0.1572","0.1869","","","","","","1.021","","","","has coordinates","228113","2020-10-21","18:00:00",""
"7121875","4.9143","0.0016","7.458","0.002","11.698","0.004","73.27","0.005","89.528","0.006","69.737","0.005","383.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","","Donoshita, Masaki; Hayashi, Mikihiro; Ikeda, Ryuichi; Yoshida, Yukihiro; Morikawa, Shota; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Drastic rearrangement of self-assembled hydrogen-bonded tapes in a molecular crystal.","Chemical communications (Cambridge, England)","2018","54","62","8571","8574","10.1039/c8cc04376k","","","0.70301","synchrotron","","0.0541","0.0434","","","0.1071","0.112","","","","","","1.065","","","","has coordinates","228475","2020-10-21","18:00:00",""
"7121876","4.987","0.003","7.592","0.004","11.718","0.006","72.926","0.006","89.449","0.006","71.157","0.006","399.6","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","","Donoshita, Masaki; Hayashi, Mikihiro; Ikeda, Ryuichi; Yoshida, Yukihiro; Morikawa, Shota; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Drastic rearrangement of self-assembled hydrogen-bonded tapes in a molecular crystal.","Chemical communications (Cambridge, England)","2018","54","62","8571","8574","10.1039/c8cc04376k","","","0.70301","synchrotron","","0.1135","0.052","","","0.1077","0.1302","","","","","","0.944","","","","has coordinates","228475","2020-10-21","18:00:00",""
"7121877","4.6904","0.0017","8.921","0.003","9.833","0.003","103.357","0.007","96.447","0.007","93.984","0.007","395.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","1","0.5","","Donoshita, Masaki; Hayashi, Mikihiro; Ikeda, Ryuichi; Yoshida, Yukihiro; Morikawa, Shota; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Drastic rearrangement of self-assembled hydrogen-bonded tapes in a molecular crystal.","Chemical communications (Cambridge, England)","2018","54","62","8571","8574","10.1039/c8cc04376k","","","0.70301","synchrotron","","0.0658","0.0535","","","0.1334","0.1428","","","","","","1.028","","","","has coordinates","228475","2020-10-21","18:00:00",""
"7121878","8.1575","0.0009","10.3671","0.0012","11.0921","0.0013","74.29","0.005","75.655","0.005","67.442","0.005","822.93","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 N2 O6 -","- C14 H16 Cl2 N2 O6 -","- C28 H32 Cl4 N4 O12 -","2","1","","Donoshita, Masaki; Hayashi, Mikihiro; Ikeda, Ryuichi; Yoshida, Yukihiro; Morikawa, Shota; Sugimoto, Kunihisa; Kitagawa, Hiroshi","Drastic rearrangement of self-assembled hydrogen-bonded tapes in a molecular crystal.","Chemical communications (Cambridge, England)","2018","54","62","8571","8574","10.1039/c8cc04376k","","","0.70301","synchrotron","","0.0988","0.0491","","","0.1131","0.1333","","","","","","0.946","","","","has coordinates","228475","2020-10-21","18:00:00",""
"7121879","19.538","0.012","14.015","0.009","24.33","0.014","90","","108.596","0.014","90","","6314","7","182","2","182","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C68 H98 Si3 -","- C68 H98 Si3 -","- C272 H392 Si12 -","4","1","","Zhao, Hui; Klemmer, Lukas; Cowley, Michael J.; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes.","Chemical communications (Cambridge, England)","2018","54","60","8399","8402","10.1039/c8cc03297a","","","0.71073","MoKα","","0.2225","0.0835","","","0.1675","0.2255","","","","","","0.975","","","","has coordinates,has disorder","228545","2020-10-21","18:00:00",""
"7121880","40.86","0.03","14.207","0.009","23.479","0.016","90","","96.47","0.03","90","","13543","16","224","2","224","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C135 H202 Si6 -","- C135 H190 Si6 -","- C540 H760 Si24 -","4","0.5","","Zhao, Hui; Klemmer, Lukas; Cowley, Michael J.; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes.","Chemical communications (Cambridge, England)","2018","54","60","8399","8402","10.1039/c8cc03297a","","","0.71073","MoKα","","0.1178","0.0819","","","0.2357","0.2478","","","","","","1.739","","","","has coordinates,has disorder","228545","2020-10-21","18:00:00",""
"7121881","18.411","0.004","20.736","0.005","22.03","0.005","110.122","0.005","100.632","0.01","100.34","0.01","7488","3","163","2","163","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H102 Si3 -","- C74 H102 Si3 -","- C296 H408 Si12 -","4","2","","Zhao, Hui; Klemmer, Lukas; Cowley, Michael J.; Majumdar, Moumita; Huch, Volker; Zimmer, Michael; Scheschkewitz, David","Phenylene-bridged cross-conjugated 1,2,3-trisilacyclopentadienes.","Chemical communications (Cambridge, England)","2018","54","60","8399","8402","10.1039/c8cc03297a","","","0.71073","MoKα","","0.2929","0.1252","","","0.3226","0.3637","","","","","","1.429","","","","has coordinates,has disorder","228545","2020-10-21","18:00:00",""
"7121882","11.1772","0.0005","10.312","0.0004","11.2725","0.0005","90","","106.329","0.001","90","","1246.85","0.09","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 -","- C36 H24 -","- C72 H48 -","2","0.5","","Spisak, Sarah N.; Wei, Zheng; Darzi, Evan; Jasti, Ramesh; Petrukhina, Marina A.","Highly strained [6]cycloparaphenylene: crystallization of an unsolvated polymorph and the first mono- and dianions.","Chemical communications (Cambridge, England)","2018","54","56","7818","7821","10.1039/c8cc03693d","","","1.54178","CuKα","","0.0433","0.0414","","","0.1058","0.1076","","","","","","1.03","","","","has coordinates","228136","2020-10-21","18:00:00",""
"7121883","10.1288","0.0004","17.237","0.0006","16.0129","0.0006","90","","102.514","0.002","90","","2729.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 Na O10 -","- C64 H80 Na O10 -","- C128 H160 Na2 O20 -","2","0.5","","Spisak, Sarah N.; Wei, Zheng; Darzi, Evan; Jasti, Ramesh; Petrukhina, Marina A.","Highly strained [6]cycloparaphenylene: crystallization of an unsolvated polymorph and the first mono- and dianions.","Chemical communications (Cambridge, England)","2018","54","56","7818","7821","10.1039/c8cc03693d","","","1.54178","CuKα","","0.0624","0.0537","","","0.1464","0.1544","","","","","","1.031","","","","has coordinates,has disorder","228136","2020-10-21","18:00:00",""
"7121884","10.1496","0.0002","23.2584","0.0006","15.4171","0.0004","90","","98.784","0.001","90","","3596.73","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H104 K2 O16 -","- C76 H104 K2 O16 -","- C152 H208 K4 O32 -","2","0.5","","Spisak, Sarah N.; Wei, Zheng; Darzi, Evan; Jasti, Ramesh; Petrukhina, Marina A.","Highly strained [6]cycloparaphenylene: crystallization of an unsolvated polymorph and the first mono- and dianions.","Chemical communications (Cambridge, England)","2018","54","56","7818","7821","10.1039/c8cc03693d","","","1.54178","CuKα","","0.0558","0.0406","","","0.0909","0.0983","","","","","","1.014","","","","has coordinates","228136","2020-10-21","18:00:00",""
"7121885","6.4062","0.0004","20.4294","0.0014","9.5955","0.0006","90","","92.369","0.002","90","","1254.74","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 Br3 N3 O -","- C8 H14 Br3 N3 O -","- C32 H56 Br12 N12 O4 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0611","0.0493","","","0.1293","0.138","","","","","","1.075","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121886","9.8558","0.0005","9.8558","0.0005","18.9035","0.0011","90","","90","","120","","1590.22","0.15","150","2","150","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C19 H28 Br N5 O3 S -","- C19 H28 Br N5 O3 S -","- C57 H84 Br3 N15 O9 S3 -","3","0.5","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0396","0.0267","","","0.0623","0.0661","","","","","","1.048","","","","has coordinates,has disorder","228115","2020-10-21","18:00:00",""
"7121887","14.314","0.002","18.26","0.003","6.4262","0.001","90","","90","","90","","1679.6","0.4","100","2","99.96","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H13 Br3 Cl3 N3 O2 -","- C8 H13 Br3 Cl3 N3 O2 -","- C32 H52 Br12 Cl12 N12 O8 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","1.54178","CuKα","","0.0306","0.0304","","","0.0767","0.0768","","","","","","1.108","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121888","7.7632","0.0003","7.428","0.0004","12.8269","0.0006","90","","98.7339","0.0015","90","","731.09","0.06","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H14 Br4 Cl2 N2 -","- C7 H14 Br4 Cl2 N2 -","- C14 H28 Br8 Cl4 N4 -","2","0.5","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0333","0.0238","","","0.0546","0.0583","","","","","","1.04","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121889","5.8771","0.0003","16.4201","0.0009","11.9239","0.0006","90","","100.625","0.002","90","","1130.96","0.1","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Br Cl3 N2 -","- C7 H12 Br Cl3 N2 -","- C28 H48 Br4 Cl12 N8 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0602","0.0379","","","0.0562","0.0625","","","","","","1.118","","","","has coordinates,has disorder","228115","2020-10-21","18:00:00",""
"7121890","6.0754","0.0003","15.7428","0.0009","12.0401","0.0007","90","","101.885","0.0019","90","","1126.88","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Br3 N2 -","- C7 H13 Br3 N2 -","- C28 H52 Br12 N8 -","4","1","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.0647","0.0332","","","0.0459","0.0511","","","","","","1.028","","","","has coordinates","228115","2020-10-21","18:00:00",""
"7121891","6.5248","0.0004","14.6823","0.0008","19.4306","0.0013","72.579","0.002","85.379","0.002","85.795","0.002","1767.91","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Br3 F N2 -","- C7 H12 Br3 F N2 -","- C42 H72 Br18 F6 N12 -","6","3","","Weinberger, Craig; Hines, Rachel; Zeller, Matthias; Rosokha, Sergiy V.","Continuum of covalent to intermolecular bonding in the halogen-bonded complexes of 1,4-diazabicyclo[2.2.2]octane with bromine-containing electrophiles.","Chemical communications (Cambridge, England)","2018","54","58","8060","8063","10.1039/c8cc04629h","","","0.71073","MoKα","","0.088","0.0469","","","0.0656","0.0712","","","","","","1.048","","","","has coordinates,has disorder","228115","2020-10-21","18:00:00",""
"7121892","21.0386","0.0006","12.0671","0.0003","12.7442","0.0004","90","","91.25","0.003","90","","3234.66","0.16","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pinkment-OH","","","- C32 H39 B2 Cl2 N O6 -","- C32 H39 B2 Cl2 N O6 -","- C128 H156 B8 Cl8 N4 O24 -","4","1","","Odyniec, Maria L.; Sedgwick, Adam C.; Swan, Alexander H.; Weber, Maria; Tang, T. M. Simon; Gardiner, Jordan E.; Zhang, Miao; Jiang, Yun-Bao; Kociok-Kohn, Gabriele; Elmes, Robert B. P.; Bull, Steven D.; He, Xiao-Peng; James, Tony D.","'AND'-based fluorescence scaffold for the detection of ROS/RNS and a second analyte.","Chemical communications (Cambridge, England)","2018","54","61","8466","8469","10.1039/c8cc04316g","","x-ray","0.71073","MoKα","","0.0862","0.0652","","","0.1611","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228565","2020-10-21","18:00:00",""
"7121893","12.0057","0.0017","8.9498","0.0011","15.48","0.002","90","","106.694","0.003","90","","1593.2","0.4","113","","113","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H51 N3 Si -","- C33 H51 N3 Si -","- C66 H102 N6 Si2 -","2","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71075","MoKα","","0.0344","0.0332","","","0.092","0.0925","","","","","","1.064","","","","has coordinates,has disorder","228117","2020-10-21","18:00:00",""
"7121894","19.752","0.012","8.725","0.005","19.801","0.01","90","","103.4","0.03","90","","3320","3","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H51 Fe N5 Si -","- C33 H51 Fe N5 Si -","- C132 H204 Fe4 N20 Si4 -","4","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71075","MoKα","","0.123","0.065","","","0.1154","0.1436","","","","","","1.065","","","","has coordinates,has disorder","228117","2020-10-21","18:00:00",""
"7121895","12.408","0.004","19.199","0.005","17.68","0.006","90","","97.503","0.006","90","","4176","2","113","2","386.3","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H59 Br2 Fe N3 Si -","- C40 H59 Br2 Fe N3 Si -","- C160 H236 Br8 Fe4 N12 Si4 -","4","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71073","MoKα","","0.3038","0.1076","","","0.1724","0.2438","","","","","","0.995","","","","has coordinates,has disorder","228117","2020-10-21","18:00:00",""
"7121896","10.351","0.003","12.058","0.003","26.098","0.006","86.591","0.012","82.254","0.01","87.814","0.012","3220.4","1.4","113","2","113","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 Fe N6 Si2 -","- C66 H102 Fe N6 Si2 -","- C132 H204 Fe2 N12 Si4 -","2","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71075","MoKα","","0.1263","0.0855","","","0.2233","0.2678","","","","","","1","","","","has coordinates,has disorder","228117","2020-10-21","18:00:00",""
"7121897","20.912","0.004","16.921","0.003","30.492","0.006","90","","90","","90","","10790","4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H87 Fe N5 Si5 -","- C45 H87 Fe N5 Si5 -","- C360 H696 Fe8 N40 Si40 -","8","1","","Bai, Yunping; Zhang, Jianying; Cui, Chunming","An arene-tethered silylene ligand enabling reversible dinitrogen binding to iron and catalytic silylation.","Chemical communications (Cambridge, England)","2018","54","58","8124","8127","10.1039/c8cc03734e","","","0.71073","MoKα","","0.1166","0.0845","","","0.2021","0.2299","","","","","","1.084","","","","has coordinates","228117","2020-10-21","18:00:00",""
"7121898","10.0564","0.0001","15.7574","0.0001","17.1733","0.0001","90","","90","","90","","2721.33","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Cl N2 O3 Rh -","- C28 H40 Cl N2 O3 Rh -","- C112 H160 Cl4 N8 O12 Rh4 -","4","1","","Thongpaen, Jompol; E Schmid, Thibault; Toupet, Loic; Dorcet, Vincent; Mauduit, Marc; Baslé, Olivier","Directed ortho C-H borylation catalyzed using Cp*Rh(iii)-NHC complexes.","Chemical communications (Cambridge, England)","2018","54","59","8202","8205","10.1039/c8cc03144d","","","1.54184","CuKα","","0.0211","0.0211","","","0.0555","0.0556","","","","","","1.072","","","","has coordinates","228548","2020-10-21","18:00:00",""
"7121899","9.8757","0.0004","15.8497","0.0005","17.3332","0.0007","90","","90","","90","","2713.11","0.18","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl N2 O3 Rh -","- C27 H36 Cl N2 O3 Rh -","- C108 H144 Cl4 N8 O12 Rh4 -","4","1","","Thongpaen, Jompol; E Schmid, Thibault; Toupet, Loic; Dorcet, Vincent; Mauduit, Marc; Baslé, Olivier","Directed ortho C-H borylation catalyzed using Cp*Rh(iii)-NHC complexes.","Chemical communications (Cambridge, England)","2018","54","59","8202","8205","10.1039/c8cc03144d","","x-ray","0.71073","MoKα","","0.057","0.0393","","","0.0832","0.0899","","","","","","1.034","","","","has coordinates","228548","2020-10-21","18:00:00",""
"7121900","28.7013","0.0015","28.7013","0.0015","6.9232","0.0004","90","","90","","120","","4939","0.5","295.26","0.1","295.26","0.1","","","","","","","","4","R -3","-R 3","148","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C216 H216 N36 O36 -","18","","","Bao, Wen; Wang, Jun-Qi; Xu, Xuetao; Zhang, Bang-Hong; Liu, Wei-Ting; Lei, Lin-Sheng; Liang, Huan; Zhang, Kun; Wang, Shao-Hua","Copper-Catalyzed Cyclization of 2-Cyanobenzaldehydes and 2-Isocyanoacetates: an Efficient Strategy for the Synthesis of Substituted 1-Aminoisoquinolines","Chemical Communications","2018","","","","","10.1039/C8CC04733B","","","0.71073","MoKα","","0.1126","0.057","","","0.1047","0.1368","","","","","","1.05","","","","has coordinates","208725","2020-10-21","18:00:00",""
"7121901","7.9181","0.0004","8.0407","0.0005","12.3418","0.0007","80.124","0.002","76.501","0.002","85.004","0.002","751.83","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C36 H34 N2 O8 -","2","1","","Maier, Josef M.; Li, Ping; Ritchey, Jackson S.; Yehl, Christopher J.; Shimizu, Ken D.","Anion-enhanced solvophobic effects in organic solvent.","Chemical communications (Cambridge, England)","2018","54","61","8502","8505","10.1039/c8cc03964j","","x-ray","0.71073","MoKα","","0.0463","0.0377","","","0.0944","0.1002","","","","","","1.034","","","","has coordinates","228566","2020-10-21","18:00:00",""
"7121902","14.0021","0.0003","14.0021","0.0003","63.523","0.003","90","","90","","120","","10785.7","0.6","296","2","296","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C66 H44 Cu3 Eu2 N18 O31 -","- C66 H42 Cu3 Eu2 N18 O30 -","- C396 H252 Cu18 Eu12 N108 O180 -","6","0.166667","","Yi, Fei-Yan; Chen, Jinlei; Wang, Shi-Cheng; Gu, Minli; Han, Lei","A heterobimetallic metal-organic framework as a ""turn-on"" sensor toward DMF.","Chemical communications (Cambridge, England)","2018","54","59","8233","8236","10.1039/c8cc03662d","","","0.71073","MoKα","","0.0377","0.0296","","","0.0856","0.0912","","","","","","1.075","","","","has coordinates","228551","2020-10-21","18:00:00",""
"7121903","14.537","0.009","14.537","0.009","9.815","0.013","90","","90","","120","","1796","3","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Hg Na7 S12 Sb5 -","- Hg1.02 Na7 S12 Sb4.98 -","- Hg3.06 Na21 S36 Sb14.94 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0408","0.0355","","","0.0849","0.0882","","","","","","1.123","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121904","14.531","0.002","14.531","0.002","9.845","0.003","90","","90","","120","","1800.3","0.7","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Cd Na7 S12 Sb5 -","- Cd1.02 Na7 S12 Sb4.98 -","- Cd3.06 Na21 S36 Sb14.94 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0487","0.0336","","","0.0613","0.0686","","","","","","1.047","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121905","14.4964","0.0012","14.4964","0.0012","9.8156","0.0017","90","","90","","120","","1786.4","0.4","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Na7 S12 Sb5 Zn -","- Na7 S12 Sb4.98 Zn1.02 -","- Na21 S36 Sb14.94 Zn3.06 -","3","0.166667","","Wu, Kui; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","Remarkable multimember-ring configurations in a new family of Na<sub>7</sub>M<sup>II</sup>Sb<sub>5</sub>S<sub>12</sub> (M<sup>II</sup> = Zn, Cd, Hg) exhibiting various three-dimensional tunnel structures.","Chemical communications (Cambridge, England)","2018","54","59","8269","8272","10.1039/c8cc04639e","","","0.71073","MoKα","","0.0265","0.0233","","","0.0432","0.0442","","","","","","1.152","","","","has coordinates","228553","2020-10-21","18:00:00",""
"7121906","11.9225","0.0009","13.3038","0.0012","13.3821","0.0011","79.775","0.003","80.203","0.002","79.872","0.003","2035.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H71 Al N2 -","- C44 H71 Al N2 -","- C88 H142 Al2 N4 -","2","1","","Cao, Levy L.; Stephan, Douglas W.","Reversible 1,1-hydroaluminations and C-H activation in reactions of a cyclic (alkyl)(amino) carbene with alane.","Chemical communications (Cambridge, England)","2018","54","60","8407","8410","10.1039/c8cc05013a","","","0.71073","MoKα","","0.1097","0.0536","","","0.1297","0.1557","","","","","","1.024","","","","has coordinates","228544","2020-10-21","18:00:00",""
"7121907","9.4074","0.0006","11.461","0.0008","19.1698","0.0013","92.871","0.002","98.051","0.002","101.38","0.002","1999.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H73 Al N2 -","- C44 H73 Al N2 -","- C88 H146 Al2 N4 -","2","1","","Cao, Levy L.; Stephan, Douglas W.","Reversible 1,1-hydroaluminations and C-H activation in reactions of a cyclic (alkyl)(amino) carbene with alane.","Chemical communications (Cambridge, England)","2018","54","60","8407","8410","10.1039/c8cc05013a","","","0.71073","MoKα","","0.0748","0.045","","","0.1159","0.1295","","","","","","1.024","","","","has coordinates","228544","2020-10-21","18:00:00",""
"7121908","11.636","0.003","18.707","0.004","19.303","0.005","66.586","0.007","76.109","0.008","86.462","0.008","3740.3","1.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H135 Al3 N5 -","- C74 H135 Al3 N5 -","- C148 H270 Al6 N10 -","2","1","","Cao, Levy L.; Stephan, Douglas W.","Reversible 1,1-hydroaluminations and C-H activation in reactions of a cyclic (alkyl)(amino) carbene with alane.","Chemical communications (Cambridge, England)","2018","54","60","8407","8410","10.1039/c8cc05013a","","","0.71073","MoKα","","0.1293","0.0569","","","0.1363","0.1733","","","","","","1.022","","","","has coordinates,has disorder","228544","2020-10-21","18:00:00",""
"7121909","10.4449","0.0013","8.4856","0.0011","21.461","0.003","90","","99.489","0.005","90","","1876.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Yu, Yang; Zhang, Yan; Xiao, Li-Yun; Peng, Qin-Qin; Zhao, Yu-Long","Thermally induced formal [4+2] cycloaddition of 3-aminocyclobutenones with electron-deficient alkynes: facile and efficient synthesis of 4-pyridones.","Chemical communications (Cambridge, England)","2018","54","59","8229","8232","10.1039/c8cc03974g","","","1.54178","CuKα","","0.0912","0.0767","","","0.1784","0.1942","","","","","","1.005","","","","has coordinates","228555","2020-10-21","18:00:00",""
"7121910","10.455","0.002","14.036","0.003","14.199","0.003","107.28","0.03","110.92","0.03","97.29","0.03","1793.9","0.9","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C36.75 H51.75 Co N4 O3 -","- C36.75 H51.75 Co N4 O3 -","- C73.5 H103.5 Co2 N8 O6 -","2","1","","Leconte, Nicolas; du Moulinet d'Hardemare, Amaury; Philouze, Christian; Thomas, Fabrice","A highly active diradical cobalt(iii) catalyst for the cycloisomerization of alkynoic acids.","Chemical communications (Cambridge, England)","2018","54","59","8241","8244","10.1039/c8cc04459g","","x-ray","0.71073","MoKα","","0.0975","0.0733","","","0.1851","0.2089","","","","","","1.082","","","","has coordinates","228550","2020-10-21","18:00:00",""
"7121911","17.365","0.004","12.283","0.003","5.6968","0.0011","90","","90","","90","","1215.1","0.5","200","","200","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Leconte, Nicolas; du Moulinet d'Hardemare, Amaury; Philouze, Christian; Thomas, Fabrice","A highly active diradical cobalt(iii) catalyst for the cycloisomerization of alkynoic acids.","Chemical communications (Cambridge, England)","2018","54","59","8241","8244","10.1039/c8cc04459g","","x-ray","0.71073","MoKα","","0.0579","0.0441","","","0.1018","0.1141","","","","","","1.053","","","","has coordinates","228550","2020-10-21","18:00:00",""
"7121912","14.519","0.003","16.983","0.003","14.819","0.003","90","","108.83","0.03","90","","3458.5","1.3","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 Cl Co N5 -","- C36 H49 Cl Co N5 -","- C144 H196 Cl4 Co4 N20 -","4","1","","Leconte, Nicolas; du Moulinet d'Hardemare, Amaury; Philouze, Christian; Thomas, Fabrice","A highly active diradical cobalt(iii) catalyst for the cycloisomerization of alkynoic acids.","Chemical communications (Cambridge, England)","2018","54","59","8241","8244","10.1039/c8cc04459g","","x-ray","0.71073","MoKα","","0.0555","0.035","","","0.077","0.0918","","","","","","1.142","","","","has coordinates","228550","2020-10-21","18:00:00",""
"7121913","8.4716","0.0003","27.7566","0.001","11.7695","0.0004","90","","100.257","0.001","90","","2723.29","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 B N -","- C28 H34 B N -","- C112 H136 B4 N4 -","4","1","","Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning","Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.","Chemical communications (Cambridge, England)","2018","54","59","8245","8248","10.1039/c8cc04535f","","","0.71073","MoKα","","0.11","0.0693","","","0.1702","0.1921","","","","","","1.066","","","","has coordinates","228556","2020-10-21","18:00:00",""
"7121914","19.0048","0.0007","7.986","0.0003","23.0446","0.001","90","","90","","90","","3497.5","0.2","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H22 B N -","- C22 H22 B N -","- C176 H176 B8 N8 -","8","1","","Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning","Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.","Chemical communications (Cambridge, England)","2018","54","59","8245","8248","10.1039/c8cc04535f","","","0.71073","MoKα","","0.1105","0.0571","","","0.111","0.1348","","","","","","1.06","","","","has coordinates","228556","2020-10-21","18:00:00",""
"7121915","14.0764","0.0016","13.7022","0.0014","9.8458","0.0011","90","","110.47","","90","","1779.1","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 B N -","- C22 H22 B N -","- C88 H88 B4 N4 -","4","1","","Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning","Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.","Chemical communications (Cambridge, England)","2018","54","59","8245","8248","10.1039/c8cc04535f","","","0.71073","MoKα","","0.2138","0.0984","","","0.1815","0.2329","","","","","","1.004","","","","has coordinates","228556","2020-10-21","18:00:00",""
"7121916","7.9902","0.0004","21.3281","0.001","17.0355","0.0007","90","","102.778","0.002","90","","2831.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 B N -","- C34 H41 B N -","- C136 H164 B4 N4 -","4","1","","Li, Hai-Jun; Mellerup, Soren K.; Wang, Xiang; Wang, Suning","Transforming benzylideneamine N,C-chelate boron compounds to BN-cycloocta-/cyclohepta-trienes bearing a tetrasubstituted B[double bond, length as m-dash]N unit via photoisomerization.","Chemical communications (Cambridge, England)","2018","54","59","8245","8248","10.1039/c8cc04535f","","","0.71073","MoKα","","0.1423","0.0576","","","0.1392","0.2048","","","","","","1.169","","","","has coordinates","228556","2020-10-21","18:00:00",""
"7121917","37.512","0.005","7.28","0.005","12.978","0.005","90","","90","","90","","3544","3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-chloro-N-(3-(piperidin-1-yl)propyl)quinoline-2-carboxamide","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C144 H176 Cl8 N24 O8 -","8","2","","Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea","Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.263","0.0385","","","0.0396","0.056","","","","","","0.586","","","","has coordinates","230138","2020-10-21","18:00:00",""
"7121918","11.3833","0.0006","11.7128","0.0006","15.0977","0.0008","90","","103.83","0.006","90","","1954.62","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((1-butylpiperidin-4-yl)methyl)-8-hydroxyquinoline-2-carboxamide hydrate","","- C20 H29 N3 O3 -","- C20 H29 N3 O3 -","- C80 H116 N12 O12 -","4","1","","Castriconi, Federica; Paolino, Marco; Grisci, Giorgio; Francini, Cinzia Maria; Reale, Annalisa; Giuliani, Germano; Anzini, Maurizio; Giorgi, Gianluca; Mennuni, Laura; Sabatini, Chiara; Lanza, Marco; Caselli, Gianfranco; Cappelli, Andrea","Development of subnanomolar-affinity serotonin 5-HT<sub>4</sub> receptor ligands based on quinoline structures.","MedChemComm","2018","9","9","1466","1471","10.1039/c8md00233a","","","0.71073","MoKα","","0.1215","0.0448","","","0.0853","0.0969","","","","","","0.766","","","","has coordinates,has disorder","230138","2020-10-21","18:00:00",""
"7121919","7.035","0.0017","8.4308","0.0018","15.21","0.004","98.594","0.019","99.03","0.02","105.311","0.02","841.9","0.4","293","","293","","","","","","","","","4","P 1","P 1","1","","","","- C39 H40 N2 O7 -","- C39 H40 N2 O7 -","- C39 H40 N2 O7 -","1","1","","Zhao, Mengting; Yue, Yuxin; Liu, Chang; Hui, Peiyi; He, Song; Zhao, Liancheng; Zeng, Xianshun","A colorimetric and fluorometric dual-modal sensor for methanol based on a functionalized pentacenequinone derivative.","Chemical communications (Cambridge, England)","2018","54","60","8339","8342","10.1039/c8cc04515a","","x-ray","0.71073","MoKα","","0.1785","0.0852","","","0.2309","0.339","","","","","","0.968","","","","has coordinates","228542","2020-10-21","18:00:00",""
"7121920","9.0009","0.0006","9.4814","0.0005","14.6222","0.001","92.269","0.005","102.45","0.006","100.774","0.005","1192.89","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 N O5 S -","- C25 H29 N O5 S -","- C50 H58 N2 O10 S2 -","2","1","","Wang, Sasa; Liu, Miao; Chen, Xinzheng; Wang, Huifei; Zhai, Hongbin","Copper-catalyzed decarboxylative propargylation/hydroamination reactions: access to C3 β-ketoester-functionalized indoles.","Chemical communications (Cambridge, England)","2018","54","60","8375","8378","10.1039/c8cc04499f","","x-ray","1.54184","CuKα","","0.0758","0.0655","","","0.1737","0.183","","","","","","1.096","","","","has coordinates","228547","2020-10-21","18:00:00",""
"7121921","7.9398","0.0004","12.1284","0.0009","22.1403","0.0013","90","","90","","90","","2132","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Liang, Xiao; Huang, Xin; Xiong, Mingteng; Shen, Kexin; Pan, Yuanjiang","Copper(i)-catalyzed N-H olefination of sulfonamides for N-sulfonyl enaminone synthesis.","Chemical communications (Cambridge, England)","2018","54","60","8403","8406","10.1039/c8cc04385j","","","0.71073","MoKα","","0.0514","0.0369","","","0.0844","0.0919","","","","","","1.026","","","","has coordinates","228541","2020-10-21","18:00:00",""
"7121922","12.7887","0.0015","38.195","0.0019","10.823","0.0015","90","","90","","90","","5286.7","1","296","2","296","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C18 H13 N -","- C18 H13 N -","- C288 H208 N16 -","16","1","","Sun, Qikun; Zhang, Kai; Zhang, Zhenzhen; Tang, Linagliang; Xie, Zongliang; Chi, Zhenguo; Xue, Shanfeng; Zhang, Haichang; Yang, Wenjun","A simple and versatile strategy for realizing bright multicolor mechanoluminescence.","Chemical communications (Cambridge, England)","2018","54","59","8206","8209","10.1039/c8cc04358b","","","0.71073","MoKα","","0.1072","0.0427","","","0.0544","0.0633","","","","","","0.982","","","","has coordinates","228549","2020-10-21","18:00:00",""
"7121923","11.6404","0.0004","15.7259","0.0005","14.2888","0.0005","90","","99.812","0.002","90","","2577.39","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 B Br2 F5 N -","- C26 H31 B Br2 F5 N -","- C104 H124 B4 Br8 F20 N4 -","4","1","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.0399","0.0311","","","0.0748","0.0784","","","","","","1.038","","","","has coordinates","228533","2020-10-21","18:00:00",""
"7121924","8.492","0.005","15.351","0.007","22.229","0.011","90","","90","","90","","2898","3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 B Br2 Cl0 F5 N2 O2 -","- C30 H28 B Br2 F5 N2 O2 -","- C120 H112 B4 Br8 F20 N8 O8 -","4","1","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.0572","0.0381","","","0.0768","0.0838","","","","","","0.937","","","","has coordinates","228533","2020-10-21","18:00:00",""
"7121925","10.2637","0.001","24.161","0.003","16.6779","0.0017","90","","97.972","0.004","90","","4095.8","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H104 B2 Br2 F10 Li2 N4 O10 -","- C84 H104 B2 Br2 F10 Li2 N4 O10 -","- C168 H208 B4 Br4 F20 Li4 N8 O20 -","2","0.5","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.0853","0.046","","","0.0908","0.1031","","","","","","1.002","","","","has coordinates,has disorder","228533","2020-10-21","18:00:00",""
"7121926","7.394","0.002","11.982","0.004","16.917","0.006","104.9","0.02","102.465","0.012","99.493","0.019","1375.1","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 B Br F5 N2 O2 -","- C30 H28 B Br F5 N2 O2 -","- C60 H56 B2 Br2 F10 N4 O4 -","2","1","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.0463","0.035","","","0.0871","0.0922","","","","","","1.039","","","","has coordinates","228533","2020-10-21","18:00:00",""
"7121927","7.7509","0.0004","10.5075","0.0007","31.1985","0.0019","90","","91.565","0.002","90","","2539.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 B F5 N -","- C29 H34 B F5 N -","- C116 H136 B4 F20 N4 -","4","1","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.079","0.0524","","","0.1205","0.1369","","","","","","1.087","","","","has coordinates","228533","2020-10-21","18:00:00",""
"7121928","15.2162","0.0009","15.3864","0.0009","15.665","0.0009","73.052","0.002","82.55","0.002","67.868","0.002","3248.9","0.3","170","2","170","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H60 Cl N26 Np O24 -","- C54 H60 Cl N26 Np O24 -","- C108 H120 Cl2 N52 Np2 O48 -","2","1","","Mei, Lei; Xu, Chao; Wu, Qun-Yan; Hu, Kong-Qiu; Yuan, Li-Yong; Chen, Jing; Xiao, Cheng-Liang; Wang, Shu-Ao; Chai, Zhi-Fang; Shi, Wei-Qun","A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit.","Chemical communications (Cambridge, England)","2018","54","62","8645","8648","10.1039/c8cc05122d","","","0.71073","MoKα","","0.0395","0.0334","","","0.0879","0.0911","","","","","","1.061","","","","has coordinates","228476","2020-10-21","18:00:00",""
"7121929","12.687","0.0012","15.9445","0.0015","35.622","0.003","86.375","0.005","88.628","0.005","67.119","0.004","6625.6","1.1","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C108 H114 Cl4 N52 O62 -","- C108 H114 Cl4 N52 O62 -","- C216 H228 Cl8 N104 O124 -","2","1","","Mei, Lei; Xu, Chao; Wu, Qun-Yan; Hu, Kong-Qiu; Yuan, Li-Yong; Chen, Jing; Xiao, Cheng-Liang; Wang, Shu-Ao; Chai, Zhi-Fang; Shi, Wei-Qun","A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit.","Chemical communications (Cambridge, England)","2018","54","62","8645","8648","10.1039/c8cc05122d","","","1.54178","CuKα","","0.2023","0.129","","","0.3611","0.4344","","","","","","1.124","","","","has coordinates,has disorder","228476","2020-10-21","18:00:00",""
"7121930","12.1092","0.0006","12.2","0.0007","12.804","0.0007","106.917","0.004","112.567","0.004","92.559","0.004","1644.78","0.17","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H70 Cl2 N26 O30 -","- C54 H70 Cl2 N26 O30 -","- C54 H70 Cl2 N26 O30 -","1","0.5","","Mei, Lei; Xu, Chao; Wu, Qun-Yan; Hu, Kong-Qiu; Yuan, Li-Yong; Chen, Jing; Xiao, Cheng-Liang; Wang, Shu-Ao; Chai, Zhi-Fang; Shi, Wei-Qun","A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit.","Chemical communications (Cambridge, England)","2018","54","62","8645","8648","10.1039/c8cc05122d","","","1.54178","CuKα","","0.1368","0.0666","","","0.1327","0.16","","","","","","1.017","","","","has coordinates","228476","2020-10-21","18:00:00",""
"7121931","12.7487","0.0006","15.3678","0.0007","17.1021","0.0008","90.328","0.002","97.214","0.002","95.183","0.002","3310","0.3","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C108 H112 Cl2 N52 O42 U -","- C108 H112 Cl2 N52 O42 U -","- C108 H112 Cl2 N52 O42 U -","1","0.5","","Mei, Lei; Xu, Chao; Wu, Qun-Yan; Hu, Kong-Qiu; Yuan, Li-Yong; Chen, Jing; Xiao, Cheng-Liang; Wang, Shu-Ao; Chai, Zhi-Fang; Shi, Wei-Qun","A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit.","Chemical communications (Cambridge, England)","2018","54","62","8645","8648","10.1039/c8cc05122d","","","0.71073","MoKα","","0.0471","0.0447","","","0.1228","0.1252","","","","","","1.03","","","","has coordinates,has disorder","228476","2020-10-21","18:00:00",""
"7121932","8.0215","0.0003","14.8835","0.0006","17.6485","0.0007","106.991","0.0015","90.0945","0.0017","94.499","0.0017","2008.17","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H59 N6 O13 Yb -","- C36 H59 N6 O13 Yb -","- C72 H118 N12 O26 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0373","0.0263","","","0.0536","0.0554","","","","","","1.024","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121933","7.9466","0.0003","11.7823","0.0005","14.7072","0.0006","90","","99.3301","0.0014","90","","1358.81","0.1","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C27 H33 N6 O9 Yb -","- C27 H33 N6 O9 Yb -","- C54 H66 N12 O18 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0376","0.0274","","","0.0443","0.046","","","","","","0.984","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121934","7.8898","0.0003","14.8884","0.0006","15.9436","0.0007","95.4509","0.0016","93.4986","0.0015","96.4015","0.0015","1847.88","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H49 N6 O13 Yb -","- C34 H49 N6 O13 Yb -","- C68 H98 N12 O26 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0443","0.0298","","","0.054","0.056","","","","","","0.989","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121935","7.6574","0.0003","13.1494","0.0005","22.747","0.0009","86.53","0.002","86.957","0.002","74.094","0.002","2197.08","0.15","160","","160","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N6 O12 Yb -","- C40 H65 N6 O12 Yb -","- C80 H130 N12 O24 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0444","0.0315","","","0.0619","0.064","","","","","","1.06","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121936","8.037","0.0008","11.9227","0.0012","17.541","0.002","109.078","0.003","90.559","0.004","108.769","0.003","1491.6","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl3 Eu N6 O8.5 -","- C27 H26 Cl3 Eu N6 O8.5 -","- C54 H52 Cl6 Eu2 N12 O17 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0389","0.0279","","","0.0607","0.063","","","","","","1.041","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121937","7.8822","0.0004","17.4071","0.0008","22.7074","0.0011","90","","90","","90","","3115.6","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Cl3 N6 O10 Yb -","- C27 H32 Cl3 N6 O10 Yb -","- C108 H128 Cl12 N24 O40 Yb4 -","4","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0269","0.0214","","","0.0408","0.0417","","","","","","1.02","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121938","7.5667","0.0005","13.2216","0.0009","22.7804","0.0015","87.639","0.003","87.556","0.003","74.19","0.003","2189.8","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H63 Eu N6 O12 -","- C39 H63 Eu N6 O12 -","- C78 H126 Eu2 N12 O24 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0491","0.0407","","","0.0967","0.0986","","","","","","1.236","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121939","7.6432","0.0003","13.1291","0.0006","22.7386","0.0009","86.5326","0.0017","86.9081","0.0017","74.1063","0.0017","2188.87","0.16","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H65 N6 O12 Yb -","- C40 H65 N6 O12 Yb -","- C80 H130 N12 O24 Yb2 -","2","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0443","0.0318","","","0.0645","0.0666","","","","","","1.038","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121940","11.3237","0.001","38.167","0.004","19.4676","0.0018","90","","101.025","0.003","90","","8258.4","1.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H66 Cl3 Dy N9 O9 P3 -","- C18.0004 H66.0012 Cl3 Dy N9.0002 O9 P3 -","- C144.003 H528.01 Cl24 Dy8 N72.0016 O72 P24 -","8","2","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.027","0.025","","","0.0531","0.0538","","","","","","1.15","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7121941","14.0512","0.0007","19.1355","0.001","20.4829","0.0011","90","","101.075","0.002","90","","5404.8","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Dy I3 N12 O9 P4 -","- C24 H82 Dy I3 N12 O9 P4 -","- C96 H328 Dy4 I12 N48 O36 P16 -","4","1","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.0258","0.0241","","","0.0529","0.0536","","","","","","0.982","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7121942","14.096","0.0008","19.1099","0.0013","20.5439","0.0013","90","","101.091","0.002","90","","5430.6","0.6","295","","295","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 I3 N12 O9 P4 Y -","- C24 H82 I3 N12 O9 P4 Y -","- C96 H328 I12 N48 O36 P16 Y4 -","4","1","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.0463","0.0293","","","0.0541","0.056","","","","","","1.04","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7121943","11.4154","0.0007","38.613","0.003","19.9862","0.0013","90","","101.936","0.003","90","","8619.1","1","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H66 Cl3 N9 O9 P3 Y -","- C18 H66 Cl3 N9 O9 P3 Y -","- C144 H528 Cl24 N72 O72 P24 Y8 -","8","2","","Canaj, Angelos B.; Singh, Mukesh Kumar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark","Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2018","54","59","8273","8276","10.1039/c8cc03929a","","","0.71073","MoKα","","0.0781","0.0468","","","0.1093","0.1233","","","","","","1.016","","","","has coordinates,has disorder","228557","2020-10-21","18:00:00",""
"7121944","15.12","0.006","25.007","0.009","15.405","0.006","90","","95.137","0.009","90","","5801","4","299","2","299","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 Ce Cl4 N8 O4 -","- C58 H68 Ce Cl4 N8 O4 -","- C232 H272 Ce4 Cl16 N32 O16 -","4","0.5","","Klamm, Bonnie E.; Windorff, Cory J.; Marsh, Matthew L.; Meeker, David S.; Albrecht-Schmitt, Thomas E","Schiff-base coordination complexes with plutonium(iv) and cerium(iv).","Chemical communications (Cambridge, England)","2018","54","62","8634","8636","10.1039/c8cc03571g","","","0.71073","MoKα","","0.0605","0.0412","","","0.0818","0.0872","","","","","","1.046","","","","has coordinates","228474","2020-10-21","18:00:00",""
"7121945","15.0632","0.0009","24.9196","0.0015","15.354","0.0009","90","","95.012","0.002","90","","5741.4","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H68 Cl4 N8 O4 Pu -","- C58 H68 Cl4 N8 O4 Pu -","- C232 H272 Cl16 N32 O16 Pu4 -","4","0.5","","Klamm, Bonnie E.; Windorff, Cory J.; Marsh, Matthew L.; Meeker, David S.; Albrecht-Schmitt, Thomas E","Schiff-base coordination complexes with plutonium(iv) and cerium(iv).","Chemical communications (Cambridge, England)","2018","54","62","8634","8636","10.1039/c8cc03571g","","","0.71073","MoKα","","0.0757","0.0491","","","0.0782","0.0906","","","","","","1.187","","","","has coordinates","228474","2020-10-21","18:00:00",""
"7121946","11.386","0.002","23.961","0.005","14.85","0.003","90","","104.161","0.015","90","","3928.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-DBPY","Co-DBPY","","- C28 H18 Co N4 O7 -","- C28 H18 Co N4 O7 -","- C112 H72 Co4 N16 O28 -","4","1","","Jiang, Min; Li, Pingping; Wu, Pengyan; Zhang, Fengjie; Tian, Xueqing; Deng, Chaofan; Wang, Jian","A squaramide-based metal-organic framework as a luminescent sensor for the detection of lactose in aqueous solution and in milk.","Chemical communications (Cambridge, England)","2018","54","66","9131","9134","10.1039/c8cc04723e","","","0.71073","MoKα","","0.162","0.0764","","","0.1984","0.2148","","","","","","1.02","","","","has coordinates","228338","2020-10-21","18:00:00",""
"7121947","9.1466","0.0005","10.045","0.0006","11.2749","0.0006","78.594","0.005","69.193","0.005","70.534","0.006","909.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C38 H46 N2 O6 S2 -","2","1","","Yan, Xufei; Sun, Huihui; Xiang, Haifeng; Yu, Da-Gang; Luo, Daibing; Zhou, Xiangge","Palladium-catalyzed C(carbonyl)-C bond cleavage of amides: a facile access to phenylcarbamate derivatives with alcohols.","Chemical communications (Cambridge, England)","2018","54","62","8606","8609","10.1039/c8cc03954b","","x-ray","1.54184","CuKα","","0.088","0.0837","","","0.234","0.2403","","","","","","1.073","","","","has coordinates","228473","2020-10-21","18:00:00",""
"7121948","9.4594","0.0003","11.2077","0.0004","19.4065","0.0006","90","","90","","90","","2057.44","0.12","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O Pd S -","- C22 H22 N2 O Pd S -","- C88 H88 N8 O4 Pd4 S4 -","4","1","","Yan, Xufei; Sun, Huihui; Xiang, Haifeng; Yu, Da-Gang; Luo, Daibing; Zhou, Xiangge","Palladium-catalyzed C(carbonyl)-C bond cleavage of amides: a facile access to phenylcarbamate derivatives with alcohols.","Chemical communications (Cambridge, England)","2018","54","62","8606","8609","10.1039/c8cc03954b","","x-ray","0.71073","MoKα","","0.0522","0.0356","","","0.0744","0.0825","","","","","","1.035","","","","has coordinates","228473","2020-10-21","18:00:00",""
"7121949","10.4543","0.0002","13.8322","0.0003","23.1289","0.0005","90","","90.3385","0.0017","90","","3344.52","0.12","295.12","0.15","295.12","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 O10 -","- C33 H36 N4 O10 -","- C132 H144 N16 O40 -","4","1","","Zhao, Qian; Peng, Cheng; Huang, Hua; Liu, Shuai-Jiang; Zhong, Ya-Jun; Huang, Wei; He, Gu; Han, Bo","Asymmetric synthesis of tetrahydroisoquinoline-fused spirooxindoles as Ras-GTP inhibitors that inhibit colon adenocarcinoma cell proliferation and invasion.","Chemical communications (Cambridge, England)","2018","54","60","8359","8362","10.1039/c8cc04732d","","x-ray","1.54184","CuKα","","0.0875","0.0782","","","0.2011","0.2138","","","","","","1.033","","","","has coordinates","228546","2020-10-21","18:00:00",""
"7121950","5.165","0.002","11.201","0.005","8.564","0.004","90","","101.626","0.012","90","","485.3","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 F3 O2 -","- C4 H3 F3 O2 -","- C16 H12 F12 O8 -","4","1","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","0.71075","MoKα","","0.0392","0.0338","","","0.0912","0.1022","","","","","","1.206","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121951","5.6878","0.0014","20.542","0.005","8.921","0.002","90","","107.525","0.006","90","","993.9","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F3 N O -","- C10 H8 F3 N O -","- C40 H32 F12 N4 O4 -","4","1","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","0.71075","MoKα","","0.0606","0.0455","","","0.1065","0.117","","","","","","1.107","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121952","21.421","0.006","8.828","0.002","11.037","0.003","90","","90","","90","","2087.1","0.9","173","","173","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","0.71075","MoKα","","0.0704","0.0398","","","0.0681","0.0774","","","","","","1.077","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121953","4.7918","0.0002","9.3365","0.0006","33.8797","0.0016","90","","92.292","0.005","90","","1514.52","0.14","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br F2 N O2 -","- C16 H12 Br F2 N O2 -","- C64 H48 Br4 F8 N4 O8 -","4","1","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","0.71075","MoKα","","0.1149","0.0758","","","0.1993","0.2133","","","","","","1.128","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121954","4.81051","0.00008","9.39477","0.00013","34.2042","0.0005","90","","92.9598","0.0014","90","","1543.75","0.04","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Br F2 N O S -","- C16 H12 Br F2 N O S -","- C64 H48 Br4 F8 N4 O4 S4 -","4","1","","Thomson, Connor J.; Zhang, Qingzhi; Al-Maharik, Nawaf; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,β-trifluorocyclopropane motif.","Chemical communications (Cambridge, England)","2018","54","60","8415","8418","10.1039/c8cc04964e","","","1.54187","CuKα","","0.0283","0.0273","","","0.0695","0.0702","","","","","","1.054","","","","has coordinates","228543","2020-10-21","18:00:00",""
"7121955","9.6136","0.0007","15.5641","0.0012","13.7093","0.0011","90","","104.355","0.002","90","","1987.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F6 N2 -","- C22 H20 F6 N2 -","- C88 H80 F24 N8 -","4","1","","Shi, Lou; Wang, Mingshan; Pan, Ling; Li, Yifei; Liu, Qun","Csp<sup>3</sup>-H bond functionalization of amines via tunable iminium ions: divergent synthesis of trifluoromethylated arylamines.","Chemical communications (Cambridge, England)","2018","54","63","8721","8724","10.1039/c8cc04936j","","","0.71073","MoKα","","0.0921","0.052","","","0.1166","0.146","","","","","","1.083","","","","has coordinates,has disorder","228168","2020-10-21","18:00:00",""
"7121956","12.252","0.006","12.49","0.008","12.826","0.005","84.442","0.017","77.873","0.01","80.73","0.06","1889.8","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H112 O6 Sm4 -","- C84 H112 O6 Sm4 -","- C84 H112 O6 Sm4 -","1","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0391","0.0265","","","0.0541","0.0593","","","","","","1.041","","","","has coordinates,has disorder","228229","2020-10-21","18:00:00",""
"7121957","13.172","0.011","12.265","0.005","14.497","0.007","90","","90.35","0.04","90","","2342","2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 O4 Yb -","- C22 H34 O4 Yb -","- C88 H136 O16 Yb4 -","4","1","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0187","0.0156","","","0.0382","0.0397","","","","","","1.04","","","","has coordinates,has disorder","228229","2020-10-21","18:00:00",""
"7121958","13.2322","0.0008","16.2283","0.001","17.9608","0.0011","90","","111.614","0.002","90","","3585.6","0.4","140","2","140","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C72 H116 N4 O6 Yb4 -","- C72 H116 N4 O6 Yb4 -","- C144 H232 N8 O12 Yb8 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0246","0.0237","","","0.0573","0.0577","","","","","","1.025","","","","has coordinates,has disorder","228229","2020-10-21","18:00:00",""
"7121959","9.536","0.008","16.441","0.016","20.897","0.016","90","","96.14","0.02","90","","3257","5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 O4 Yb -","- C34 H54 O4 Yb -","- C136 H216 O16 Yb4 -","4","0.5","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0235","0.021","","","0.0495","0.0502","","","","","","1.043","","","","has coordinates","228229","2020-10-21","18:00:00",""
"7121960","12.4889","0.0013","14.9634","0.0016","15.0111","0.0016","94.734","0.003","94.59","0.003","90.111","0.003","2786.6","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 Eu2 O -","- C32 H36 Eu2 O -","- C128 H144 Eu8 O4 -","4","2","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0712","0.0432","","","0.1027","0.1231","","","","","","1.063","","","","has coordinates,has disorder","228229","2020-10-21","18:00:00",""
"7121961","12.8719","0.0002","24.3507","0.0004","13.4375","0.0002","90","","118.609","0.001","90","","3697.61","0.11","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H100 Eu4 N4 O4 -","- C64 H100 Eu4 N4 O4 -","- C128 H200 Eu8 N8 O8 -","2","1","","Wolf, Benjamin M.; Stuhl, Christoph; Anwander, Reiner","Synthesis of homometallic divalent lanthanide organoimides from benzyl complexes.","Chemical communications (Cambridge, England)","2018","54","64","8826","8829","10.1039/c8cc05234d","","","0.71073","MoKα","","0.0247","0.0218","","","0.0467","0.0473","","","","","","1.048","","","","has coordinates","228229","2020-10-21","18:00:00",""
"7121962","19.7257","0.0011","25.1015","0.0019","25.7068","0.0017","90","","90","","90","","12728.6","1.5","123","2","123","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C204 H192 B5 F20 N36 Ni4 -","- C204 H192 B5 F20 N36 Ni4 -","- C408 H384 B10 F40 N72 Ni8 -","2","0.25","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1624","0.0964","","","0.2217","0.2445","","","","","","1.102","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7121963","22.4671","0.0011","22.4671","0.0011","22.4671","0.0011","90","","90","","90","","11340.7","1","173","2","173","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C216 H216 Cl5 N36 Ni4 O20 -","- C216 H216 Cl5 N36 Ni4 O19.96 -","- C432 H432 Cl10 N72 Ni8 O39.92 -","2","0.0833333","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1439","0.0811","","","0.1976","0.223","","","","","","1.108","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7121964","23.8389","0.0014","23.8389","0.0014","23.8389","0.0014","90","","90","","90","","13547.5","1.4","173","2","173","2","","","","","","","","4","I 2 3","I 2 2 3","197","","","","- C228 H240 N36 Ni4 -","- C228 H240 N36 Ni4 -","- C456 H480 N72 Ni8 -","2","0.0833333","","Bao, Ling-Yu; Hao, Si-Jia; Xi, Sai-Fei; Yan, Xiaodong; Zhang, Hai-Xia; Shen, Rui; Gu, Zhi-Guo","Chiral supramolecular coordination cages as high-performance inhibitors against amyloid-β aggregation.","Chemical communications (Cambridge, England)","2018","54","63","8725","8728","10.1039/c8cc04913k","","","0.71073","MoKα","","0.1814","0.0799","","","0.2035","0.2549","","","","","","1.193","","","","has coordinates","228166","2020-10-21","18:00:00",""
"7121965","38.2117","0.0007","18.5754","0.0005","9.3073","0.0003","90","","90","","90","","6606.3","0.3","100","0.1","100","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H11 Br F5 I O -","- C15 H11 Br F5 I O -","- C240 H176 Br16 F80 I16 O16 -","16","1","","Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger","Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles.","Chemical communications (Cambridge, England)","2018","54","65","8999","9002","10.1039/c8cc04558e","","x-ray","0.71073","MoKα","","0.0496","0.0359","","","0.0861","0.0906","","","","","","1.022","","","","has coordinates","228540","2020-10-21","18:00:00",""
"7121966","11.3548","0.0001","8.0586","0.0001","21.0488","0.0002","90","","95.611","0.001","90","","1916.82","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Br Cl F4 I O2 -","- C17 H15 Br Cl F4 I O2 -","- C68 H60 Br4 Cl4 F16 I4 O8 -","4","1","","Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger","Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles.","Chemical communications (Cambridge, England)","2018","54","65","8999","9002","10.1039/c8cc04558e","","x-ray","1.54184","CuKα","","0.0206","0.0202","","","0.0491","0.0494","","","","","","1.09","","","","has coordinates","228540","2020-10-21","18:00:00",""
"7121967","7.9867","0.0002","8.2391","0.0002","13.6897","0.0002","74.798","0.002","84.253","0.002","86.584","0.002","864.41","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 Br Cl F4 I O3 -","- C15 H9 Br Cl F4 I O3 -","- C30 H18 Br2 Cl2 F8 I2 O6 -","2","1","","Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger","Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles.","Chemical communications (Cambridge, England)","2018","54","65","8999","9002","10.1039/c8cc04558e","","","1.54184","CuKα","","0.0285","0.0275","","","0.0684","0.069","","","","","","1.0775","","","","has coordinates","228540","2020-10-21","18:00:00",""
"7121968","21.31","0.004","22.284","0.005","16.397","0.003","90","","95.97","0.03","90","","7744","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","X62","N2',N2',N5,N5,N7',N7',N9,N9-octakis(4-methoxyphenyl)spiro[dibenzo[c,h]xanthene-7,9'-fluorene]-2',5,7',9-tetraamine","","- C64.33 H58 N2.67 O7.67 -","- C64.3333 H58 N2.66667 O7.66667 -","- C386 H348 N16 O46 -","6","1.5","","Wang, Linqin; Zhang, Jinbao; Liu, Peng; Xu, Bo; Zhang, Biaobiao; Chen, Hong; Inge, A. Ken; Li, Yuanyuan; Wang, Haoxin; Cheng, Yi-Bing; Kloo, Lars; Sun, Licheng","Design and synthesis of dopant-free organic hole-transport materials for perovskite solar cells.","Chemical communications (Cambridge, England)","2018","54","69","9571","9574","10.1039/c8cc04026e","","","0.71073","MoKα","","0.0664","0.0509","","","0.1214","0.1302","","","","","","1.018","","","","has coordinates","228208","2020-10-21","18:00:00",""
"7121969","10.6341","0.0005","16.3753","0.0007","17.6369","0.0008","64.812","0.002","87.802","0.002","88.57","0.002","2777","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","X61","N2',N2',N7',N7'-tetrakis(4-methoxyphenyl)spiro[dibenzo[c,h]xanthene-7,9'-fluorene]-2',7'-diamine","","- C61 H46 N2 O5 -","- C61 H46 N2 O5 -","- C122 H92 N4 O10 -","2","1","","Wang, Linqin; Zhang, Jinbao; Liu, Peng; Xu, Bo; Zhang, Biaobiao; Chen, Hong; Inge, A. Ken; Li, Yuanyuan; Wang, Haoxin; Cheng, Yi-Bing; Kloo, Lars; Sun, Licheng","Design and synthesis of dopant-free organic hole-transport materials for perovskite solar cells.","Chemical communications (Cambridge, England)","2018","54","69","9571","9574","10.1039/c8cc04026e","","","1.54178","CuKα","","0.1418","0.089","","","0.2461","0.2868","","","","","","1.03","","","","has coordinates","228208","2020-10-21","18:00:00",""
"7121970","43.0555","0.0002","43.0555","0.0002","43.0555","0.0002","90","","90","","90","","79815.3","0.6","100","2","100","2","","","","","","","","6","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C28 H19 Cu2 I0.4 N9 O10.2 -","- C28 H19 Cu2 I0.4 N9 O10.2 -","- C2688 H1824 Cu192 I38.4 N864 O979.2 -","96","0.5","","Ye, Chun-Rong; Zheng, Ji; Li, Mian; Huang, Xiao-Chun","A zeolite-like MOF based on a heterotritopic linker of imidazolyl, carboxyl and pyridine with a long-sought uks net on Schwarz's D-surface.","Chemical communications (Cambridge, England)","2018","54","63","8769","8772","10.1039/c8cc03484b","","","0.71073","MoKα","","0.0763","0.057","","","0.1594","0.1885","","","","","","1.061","","","","has coordinates,has disorder","228167","2020-10-21","18:00:00",""
"7121971","16.5417","0.0004","9.9989","0.0002","20.3707","0.0005","90","","92.563","0.001","90","","3365.92","0.13","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H78 B4 F16 N10 Ni2 O4 -","- C62 H78 B4 F16 N10 Ni2 O4 -","- C124 H156 B8 F32 N20 Ni4 O8 -","2","1","","Shen, Junyu; Wang, Mei; He, Tianhao; Jiang, Jian; Hu, Maowei","Influence of the backbone of N<sub>5</sub>-pentadentate ligands on the catalytic performance of Ni(ii) complexes for electrochemical water oxidation in neutral aqueous solutions.","Chemical communications (Cambridge, England)","2018","54","65","9019","9022","10.1039/c8cc04302g","","","0.71073","MoKα","","0.0826","0.0624","","","0.1561","0.1699","","","","","","1.025","","","","has coordinates","228539","2020-10-21","18:00:00",""
"7121972","11.3419","0.0004","14.9551","0.0005","16.2731","0.0005","98.833","0.001","110.206","0.001","102.878","0.002","2443.71","0.15","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H63 B3 Cl3 N9 Si6 -","- C33 H63 B3 Cl3 N9 Si6 -","- C66 H126 B6 Cl6 N18 Si12 -","2","1","","Bawari, Deependra; Negi, Chandrakala; Jaiswal, Kuldeep; Prashanth, Billa; Choudhury, Angshuman Roy; Singh, Sanjay","Group 13 element containing conformationally rigid ""N-E-N"" heteroatomic bridged [3.3](2,6)pyridinophanes (E = B, Al).","Chemical communications (Cambridge, England)","2018","54","64","8857","8860","10.1039/c8cc05154b","","","0.71073","MoKα","","0.031","0.0269","","","0.0707","0.0737","","","","","","1.046","","","","has coordinates","228231","2020-10-21","18:00:00",""
"7121973","6.519","0.0018","14.118","0.003","17.136","0.006","84.72","0.03","89.46","0.03","84.14","0.03","1562.2","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 B2 N6 Si4 -","- C22 H44 B2 N6 Si4 -","- C44 H88 B4 N12 Si8 -","2","1","","Bawari, Deependra; Negi, Chandrakala; Jaiswal, Kuldeep; Prashanth, Billa; Choudhury, Angshuman Roy; Singh, Sanjay","Group 13 element containing conformationally rigid ""N-E-N"" heteroatomic bridged [3.3](2,6)pyridinophanes (E = B, Al).","Chemical communications (Cambridge, England)","2018","54","64","8857","8860","10.1039/c8cc05154b","","","0.71073","MoKα","","0.1093","0.0699","","","0.16","0.2064","","","","","","1.01","","","","has coordinates","228231","2020-10-21","18:00:00",""
"7121974","7.1703","0.0017","18.86","0.004","12.843","0.003","90","","98.818","0.012","90","","1716.3","0.7","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 B N3 Si2 -","- C11 H26 B N3 Si2 -","- C44 H104 B4 N12 Si8 -","4","1","","Bawari, Deependra; Negi, Chandrakala; Jaiswal, Kuldeep; Prashanth, Billa; Choudhury, Angshuman Roy; Singh, Sanjay","Group 13 element containing conformationally rigid ""N-E-N"" heteroatomic bridged [3.3](2,6)pyridinophanes (E = B, Al).","Chemical communications (Cambridge, England)","2018","54","64","8857","8860","10.1039/c8cc05154b","","","0.71075","MoKα","","0.0729","0.0556","","","0.1533","0.1729","","","","","","1.048","","","","has coordinates","228231","2020-10-21","18:00:00",""
"7121975","11.6602","0.0013","12.6412","0.001","12.9228","0.0015","90","","116.275","0.014","90","","1708","0.4","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Al N3 Si2 -","- C12 H24 Al N3 Si2 -","- C48 H96 Al4 N12 Si8 -","4","1","","Bawari, Deependra; Negi, Chandrakala; Jaiswal, Kuldeep; Prashanth, Billa; Choudhury, Angshuman Roy; Singh, Sanjay","Group 13 element containing conformationally rigid ""N-E-N"" heteroatomic bridged [3.3](2,6)pyridinophanes (E = B, Al).","Chemical communications (Cambridge, England)","2018","54","64","8857","8860","10.1039/c8cc05154b","","x-ray","0.71073","MoKα","","0.1129","0.0814","","","0.2115","0.2436","","","","","","1.081","","","","has coordinates","228231","2020-10-21","18:00:00",""
"7121976","17.2486","0.0009","12.6136","0.0007","16.1018","0.0009","90","","91.704","0.005","90","","3501.7","0.3","100","0.2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Al2 N6 Si4 -","- C24 H48 Al2 N6 Si4 -","- C96 H192 Al8 N24 Si16 -","4","1","","Bawari, Deependra; Negi, Chandrakala; Jaiswal, Kuldeep; Prashanth, Billa; Choudhury, Angshuman Roy; Singh, Sanjay","Group 13 element containing conformationally rigid ""N-E-N"" heteroatomic bridged [3.3](2,6)pyridinophanes (E = B, Al).","Chemical communications (Cambridge, England)","2018","54","64","8857","8860","10.1039/c8cc05154b","","x-ray","0.71073","MoKα","","0.1322","0.0715","","","0.1627","0.1912","","","","","","1.039","","","","has coordinates","228231","2020-10-21","18:00:00",""
"7121977","7.4929","0.0002","10.3291","0.0002","18.055","0.0004","90","","94.475","0.001","90","","1393.11","0.06","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 F11 N O -","- C10 H12 F11 N O -","- C40 H48 F44 N4 O4 -","4","1","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0418","0.034","","","0.0857","0.0904","","","","","","1.073","","","","has coordinates","228569","2020-10-21","18:00:00",""
"7121978","7.039","0.0004","22.2491","0.0013","21.3552","0.0012","90","","93.561","0.005","90","","3338","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H7 F39 O5 -","- C21 H7 F39 O5 -","- C84 H28 F156 O20 -","4","1","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0604","0.0408","","","0.0825","0.0919","","","","","","1.052","","","","has coordinates","228569","2020-10-21","18:00:00",""
"7121979","14.4972","0.0006","14.78","0.0005","28.496","0.002","90","","90","","90","","6105.8","0.5","100","","100","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C11 H12 F13 N O -","- C11 H12 F13 N O -","- C176 H192 F208 N16 O16 -","16","2","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0847","0.0459","","","0.1041","0.1191","","","","","","1.052","","","","has coordinates","228569","2020-10-21","18:00:00",""
"7121980","10.3768","0.0004","20.2598","0.0006","8.3401","0.0003","90","","90","","90","","1753.36","0.11","100","2","100.02","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H2 F10 O2 -","- C6 H2 F10 O2 -","- C48 H16 F80 O16 -","8","2","","Schaab, Jonas; Schwab, Miriam; Kratzert, Daniel; Schwabedissen, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Krossing, Ingo","The perfluorinated alcohols c-C<sub>6</sub>F<sub>11</sub>OH, c-C<sub>6</sub>F<sub>10</sub>-1,1-(OH)<sub>2</sub> and c-C<sub>6</sub>F<sub>10</sub>-1-(CF<sub>3</sub>)OH.","Chemical communications (Cambridge, England)","2018","54","67","9294","9297","10.1039/c8cc05148h","","x-ray","0.71073","MoKα","","0.0283","0.0258","","","0.0669","0.0685","","","","","","1.086","","","","has coordinates","228569","2020-10-21","18:00:00",""
"7121981","12.62193","0.00018","13.55916","0.00019","20.6596","0.0003","92.8838","0.0011","91.5768","0.0011","94.1281","0.0011","3520.38","0.09","149.99","0.1","149.99","0.1","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C22 H20 F6 N4 O S -","- C22 H20 F5.99995 N4 O S -","- C132 H120 F35.9997 N24 O6 S6 -","6","6","","Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L.","Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","64","8905","8908","10.1039/c8cc05311a","","x-ray","1.54184","CuKα","","0.0567","0.055","","","0.1507","0.1532","","","","","","1.066","","","","has coordinates,has disorder","228234","2020-10-21","18:00:00",""
"7121982","23.7773","0.0015","5.4608","0.0004","31.7244","0.0019","90","","92.002","0.006","90","","4116.7","0.5","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","I 1 2/a 1","-I 2ya","15","","(S,Z)-N-argio-2-(1-formylpyrrolidin-2-yl)-2-(2-phenylhydrazono)acetamide","","- C21 H18 F6 N4 O2 -","- C21 H18 F6 N4 O2 -","- C168 H144 F48 N32 O16 -","8","1","","Zabaleta, Nagore; Uria, Uxue; Reyes, Efraim; Carrillo, Luisa; Vicario, Jose L.","Ion-pairing catalysis in the enantioselective addition of hydrazones to N-acyldihydropyrrole derivatives.","Chemical communications (Cambridge, England)","2018","54","64","8905","8908","10.1039/c8cc05311a","","x-ray","1.54184","CuKα","","0.0717","0.0572","","","0.1565","0.1679","","","","","","1.042","","","","has coordinates,has disorder","228234","2020-10-21","18:00:00",""
"7121983","5.71336","0.00013","14.1891","0.0003","12.7481","0.0003","90","","97.421","0.002","90","","1024.8","0.04","137","","137","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br N O4 -","- C24 H20 Br N O4 -","- C48 H40 Br2 N2 O8 -","2","1","","Liu, Wen; Cao, Weidi; Hu, Haipeng; Lin, Lili; Feng, Xiaoming","Dynamic kinetic asymmetric transformations of β-halo-α-keto esters by N,N'-dioxide/Ni(ii)-catalyzed carbonyl-ene reaction.","Chemical communications (Cambridge, England)","2018","54","64","8901","8904","10.1039/c8cc04993a","","x-ray","1.54184","CuKα","","0.0447","0.0444","","","0.1105","0.1111","","","","","","1.061","","","","has coordinates","228235","2020-10-21","18:00:00",""
"7121984","10.927","0.003","12.297","0.003","30.796","0.007","90","","100.219","0.002","90","","4072.4","1.8","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C57 H45 Dy2 F36 N6 O18 -","- C57 H45 Dy2 F36 N6 O18 -","- C114 H90 Dy4 F72 N12 O36 -","2","0.5","","Xiao, Zhao-Xin; Miao, Hao; Shao, Dong; Wei, Hai-Yan; Zhang, Yi-Quan; Wang, Xin-Yi","Single-molecule magnet behaviour in a dysprosium-triradical complex.","Chemical communications (Cambridge, England)","2018","54","70","9726","9729","10.1039/c8cc04739a","","","0.71073","MoKα","","0.097","0.0572","","","0.133","0.143","","","","","","0.999","","","","has coordinates,has disorder","228020","2020-10-21","18:00:00",""
"7121985","21.64","0.02","8.223","0.006","32.26","0.03","90","","97.4","0.02","90","","5693","9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H33 B F2 N2 Si2 -","- C28 H33 B F2 N2 Si2 -","- C224 H264 B8 F16 N16 Si16 -","8","1","","Zheng, Xianghui; Du, Wei; Gai, Lizhi; Xiao, Xuqiong; Li, Zhifang; Xu, Liwen; Tian, Yupeng; Kira, Mitsuo; Lu, Hua","Disilanylene-bridged BODIPY-based D-σ-A architectures: a novel promising series of NLO chromophores.","Chemical communications (Cambridge, England)","2018","54","64","8834","8837","10.1039/c8cc04962a","","","0.71073","MoKα","","0.1886","0.0886","","","0.1903","0.2346","","","","","","1.051","","","","has coordinates","228233","2020-10-21","18:00:00",""
"7121986","11.115","0.005","11.547","0.005","13.669","0.007","69.556","0.008","82.496","0.008","79.484","0.009","1612","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 B F2 N3 Si2 -","- C30 H38 B F2 N3 Si2 -","- C60 H76 B2 F4 N6 Si4 -","2","1","","Zheng, Xianghui; Du, Wei; Gai, Lizhi; Xiao, Xuqiong; Li, Zhifang; Xu, Liwen; Tian, Yupeng; Kira, Mitsuo; Lu, Hua","Disilanylene-bridged BODIPY-based D-σ-A architectures: a novel promising series of NLO chromophores.","Chemical communications (Cambridge, England)","2018","54","64","8834","8837","10.1039/c8cc04962a","","","0.71073","MoKα","","0.0808","0.0651","","","0.194","0.2115","","","","","","1.072","","","","has coordinates","228233","2020-10-21","18:00:00",""
"7121987","12.6651","0.0004","16.1115","0.0005","19.1954","0.0006","101.395","0.003","104.401","0.003","111.57","0.003","3341.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","3","3","","- C106 H156 O6 Si12 U4 -","- C106 H156 O6 Si12 U4 -","- C106 H156 O6 Si12 U4 -","1","0.5","","Tsoureas, Nikolaos; Cloke, F Geoffrey N","Activation of carbon suboxide (C<sub>3</sub>O<sub>2</sub>) by U(iii) to form a cyclobutane-1,3-dione ring.","Chemical communications (Cambridge, England)","2018","54","64","8830","8833","10.1039/c8cc04391d","","","1.54184","CuKα","","0.0316","0.0271","","","0.0701","0.0734","","","","","","0.829","","","","has coordinates,has disorder","228232","2020-10-21","18:00:00",""
"7121988","9.0648","0.0004","14.3955","0.0007","25.3043","0.0008","87.99","0.003","89.525","0.003","72.969","0.004","3155.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4","4","","- C54 H90 O Si7 U2 -","- C54.095 H90 O1.095 Si7 U2 -","- C108.19 H180 O2.19 Si14 U4 -","2","1","","Tsoureas, Nikolaos; Cloke, F Geoffrey N","Activation of carbon suboxide (C<sub>3</sub>O<sub>2</sub>) by U(iii) to form a cyclobutane-1,3-dione ring.","Chemical communications (Cambridge, England)","2018","54","64","8830","8833","10.1039/c8cc04391d","","","1.54184","CuKα","","0.0526","0.0463","","","0.126","0.13","","","","","","1.118","","","","has coordinates,has disorder","228232","2020-10-21","18:00:00",""
"7121989","11.349","0.002","11.349","0.002","38.211","0.007","90","","90","","120","","4262.2","1.3","90","2","90","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H62 Cl2 Co3 N12 O8 -","- C56 H61.9992 Cl2 Co3 N12 O7.9998 -","- C168 H185.998 Cl6 Co9 N36 O23.9994 -","3","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.0725","0.0603","","","0.1559","0.1645","","","","","","1.142","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00",""
"7121990","11.0654","0.0011","11.0654","0.0011","87.132","0.009","90","","90","","120","","9239.4","1.6","90","2","90","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C56 H62 Br2 Co3 N12 O8 -","- C56 H61.9992 Br2 Co3 N12 O7.9998 -","- C336 H371.995 Br12 Co18 N72 O47.9988 -","6","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.106","0.0766","","","0.136","0.1459","","","","","","1.224","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00",""
"7121991","11.169","0.003","11.169","0.003","87.48","0.02","90","","90","","120","","9451","4","90","2","90","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H62 Co3 N14 O14 -","- C56 H59.9994 Co3 N14 O13.9994 -","- C336 H359.996 Co18 N84 O83.9964 -","6","0.166667","","Mitsuhashi, Ryoji; Pedersen, Kasper S.; Ueda, Takaaki; Suzuki, Takayoshi; Bendix, Jesper; Mikuriya, Masahiro","Field-induced single-molecule magnet behavior in ideal trigonal antiprismatic cobalt(ii) complexes: precise geometrical control by a hydrogen-bonded rigid metalloligand.","Chemical communications (Cambridge, England)","2018","54","64","8869","8872","10.1039/c8cc04756a","","","0.71073","MoKα","","0.0641","0.0423","","","0.1033","0.1091","","","","","","1.035","","","","has coordinates,has disorder","228230","2020-10-21","18:00:00",""
"7121992","10.1567","0.0007","25.514","0.002","19.2566","0.0014","90","","91.717","0.002","90","","4987.9","0.6","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C80 H140 B6 Br4 Mg2 N2 O2 P4 Si4 -","- C80 H140 B6 Br4 Mg2 N2 O2 P4 Si4 -","- C160 H280 B12 Br8 Mg4 N4 O4 P8 Si8 -","2","0.5","","Lu, Wei; Kinjo, Rei","Complexation of asymmetric diborenes with magnesium bromide.","Chemical communications (Cambridge, England)","2018","54","64","8842","8844","10.1039/c8cc04775h","","","0.71073","MoKα","","0.1141","0.0558","","","0.1135","0.1395","","","","","","1.012","","","","has coordinates,has disorder","228227","2020-10-21","18:00:00",""
"7121993","16.6079","0.0004","16.8383","0.0004","17.897","0.0005","107.011","0.001","97.982","0.001","109.327","0.001","4359.4","0.2","103","2","103","2","","","","","","","","9","P -1","-P 1","2","","","","- C62.68 H123.36 B6 Br4 Mg2 N2 O2 P4 Si4 -","- C62.679 H123.358 B6 Br4 Mg2 N2 O2 P4 Si4 -","- C125.358 H246.716 B12 Br8 Mg4 N4 O4 P8 Si8 -","2","1","","Lu, Wei; Kinjo, Rei","Complexation of asymmetric diborenes with magnesium bromide.","Chemical communications (Cambridge, England)","2018","54","64","8842","8844","10.1039/c8cc04775h","","","1.54178","CuKα","","0.0545","0.0448","","","0.1187","0.1285","","","","","","1.031","","","","has coordinates,has disorder","228227","2020-10-21","18:00:00",""
"7121994","3.8787","0.0001","13.3741","0.0004","26.3417","0.0007","90","","90","","90","","1366.45","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Ding, Jun; Jiang, Wei; Bai, He-Yuan; Ding, Tong-Mei; Gao, Dafang; Bao, Xiaoguang; Zhang, Shu-Yu","Experimental and computational studies on H<sub>2</sub>O-promoted, Rh-catalyzed transient-ligand-free ortho-C(sp<sup>2</sup>)-H amidation of benzaldehydes with dioxazolones.","Chemical communications (Cambridge, England)","2018","54","64","8889","8892","10.1039/c8cc04904a","","","1.54178","CuKα","","0.0642","0.0613","","","0.2012","0.2048","","","","","","1.18","","","","has coordinates","228236","2020-10-21","18:00:00",""
"7121995","11.6111","0.0003","8.5608","0.0002","26.6519","0.0006","90","","90","","90","","2649.21","0.11","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N O2 -","- C18 H13 N O2 -","- C144 H104 N8 O16 -","8","1","","Ding, Jun; Jiang, Wei; Bai, He-Yuan; Ding, Tong-Mei; Gao, Dafang; Bao, Xiaoguang; Zhang, Shu-Yu","Experimental and computational studies on H<sub>2</sub>O-promoted, Rh-catalyzed transient-ligand-free ortho-C(sp<sup>2</sup>)-H amidation of benzaldehydes with dioxazolones.","Chemical communications (Cambridge, England)","2018","54","64","8889","8892","10.1039/c8cc04904a","","","1.54178","CuKα","","0.0346","0.0332","","","0.0916","0.093","","","","","","1.079","","","","has coordinates","228236","2020-10-21","18:00:00",""
"7121996","3.8145","0.0015","12.348","0.004","13.349","0.005","71.5","0.03","89.83","0.05","89.58","0.05","596.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 Cl F N2 O2 -","- C13 H8 Cl F N2 O2 -","- C26 H16 Cl2 F2 N4 O4 -","2","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.1114","0.0894","","","0.2444","0.2645","","","","","","1.15","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7121997","27.733","","4.024","","13.705","","90","","90","","90","","1529.44","","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H15 Cl2 N O3 -","- C16 H15 Cl2 N O3 -","- C64 H60 Cl8 N4 O12 -","4","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.0488","0.0422","","","0.1087","0.1378","","","","","","1.161","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7121998","4.1","0.003","22.199","0.014","14.223","0.009","90","","96.954","0.005","90","","1285","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl2 I N -","- C13 H8 Cl2 I N -","- C52 H32 Cl8 I4 N4 -","4","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.0378","0.0326","","","0.0881","0.1113","","","","","","1.209","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7121999","3.8727","0.0009","15.111","0.004","17.132","0.005","90","","90","","90","","1002.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 N -","- C15 H9 N -","- C60 H36 N4 -","4","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.0948","0.0772","","","0.1889","0.2097","","","","","","1.184","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7122000","9.7479","0.001","10.8987","0.0011","14.1786","0.0014","67.525","0.003","73.066","0.003","83.669","0.003","1331.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu2 F12 N12 O12 S8 -","- C40 H32 Cu2 F12 N12 O12 S8 -","- C40 H32 Cu2 F12 N12 O12 S8 -","1","0.5","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","0.71073","MoKα","","0.0846","0.0498","","","0.1146","0.1288","","","","","","1.034","","","","has coordinates","228341","2020-10-21","18:00:00",""
"7122001","11.358","0.004","16.28","0.005","16.681","0.007","99.03","0.016","108.218","0.016","92.693","0.012","2878.3","1.8","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H34 Cu2 F9 N13.858 O15.743 P S7 -","- C40 H34 Cu2 F9 N13.858 O15.744 P S7 -","- C80 H68 Cu4 F18 N27.716 O31.488 P2 S14 -","2","1","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","0.71073","MoKα","","0.1299","0.0744","","","0.1587","0.1923","","","","","","1.0732","","","","has coordinates,has disorder","228341","2020-10-21","18:00:00",""
"7122002","14.629","0.005","15.453","0.006","17.397","0.006","93.102","0.018","103.018","0.014","95.287","0.015","3804","2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H42 Cu2 F9 N12 O13 P S7 -","- C43 H42 Cu2 F9 N12 O13 P S7 -","- C86 H84 Cu4 F18 N24 O26 P2 S14 -","2","1","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","0.71073","MoKα","","0.1334","0.0762","","","0.1957","0.2317","","","","","","1.1","","","","has coordinates,has disorder","228341","2020-10-21","18:00:00",""
"7122003","22.4423","0.0011","22.4423","0.0011","20.6438","0.001","90","","90","","90","","10397.4","0.9","150","2","150","2","","","","","","","","9","I -4 2 d","I -4 2bw","122","","","","- C40 H40 B4 Cu2 F14 N12 O4.5 P S4 -","- C40 H40 B4 Cu2 F14 N12 O4.5 P S4 -","- C320 H320 B32 Cu16 F112 N96 O36 P8 S32 -","8","0.5","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","0.71073","MoKα","","0.1445","0.0804","","","0.219","0.2635","","","","","","1.026","","","","has coordinates,has disorder","228341","2020-10-21","18:00:00",""
"7122004","12.3871","0.0008","24.199","0.002","32.271","0.004","78.661","0.007","85.813","0.009","78.326","0.007","9282.8","1.5","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C114 H114 B5 Cu6 F18 N42 O20 P2 S12 -","- C114 H114 B5 Cu6 F18 N42 O20 P2 S12 -","- C228 H228 B10 Cu12 F36 N84 O40 P4 S24 -","2","1","","Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher","Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.","Chemical communications (Cambridge, England)","2018","54","66","9159","9162","10.1039/c8cc04900a","","","1.54178","CuKα","","0.1337","0.0997","","","0.2929","0.3299","","","","","","1.2535","","","","has coordinates","228341","2020-10-21","18:00:00",""
"7122005","14.601","0.003","16.214","0.003","17.317","0.004","90","","111.59","0.03","90","","3812","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28.67 H59.34 Cd N4 S6 -","- C28.672 H59.344 Cd N4 S6 -","- C114.688 H237.376 Cd4 N16 S24 -","4","1","","Macreadie, Lauren K.; Forsyth, Craig M.; Turner, David R.; Chesman, Anthony S. R.","Cadmium tris(dithiocarbamate) ionic liquids as single source, solvent-free cadmium sulfide precursors.","Chemical communications (Cambridge, England)","2018","54","64","8925","8928","10.1039/c8cc03737j","","","0.71073","synchrotron","","0.069","0.0574","","","0.1579","0.1688","","","","","","1.036","","","","has coordinates,has disorder","228228","2020-10-21","18:00:00",""
"7122006","15.564","0.003","15.533","0.003","18.558","0.004","90","","106.15","0.03","90","","4309.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","methylbutylpyrrolidinium cadmium tris(dipropldithiocarbamte)","(C4C1py)[Cd((nPr)2dtc)3]","","- C33 H68 Cd N4 O S6 -","- C33 H68 Cd N4 O S6 -","- C132 H272 Cd4 N16 O4 S24 -","4","1","","Macreadie, Lauren K.; Forsyth, Craig M.; Turner, David R.; Chesman, Anthony S. R.","Cadmium tris(dithiocarbamate) ionic liquids as single source, solvent-free cadmium sulfide precursors.","Chemical communications (Cambridge, England)","2018","54","64","8925","8928","10.1039/c8cc03737j","","","0.71073","Synchrotron","","0.0474","0.0419","","","0.0959","0.0983","","","","","","1.118","","","","has coordinates,has disorder","228228","2020-10-21","18:00:00",""
"7122007","9.672","0.0019","10.838","0.002","40.33","0.008","90","","92.81","0.03","90","","4222.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(C3mim)[Cd((iBu)2dtc)3]","","- C34 H67 Cd N5 S6 -","- C34 H67 Cd N5 S6 -","- C136 H268 Cd4 N20 S24 -","4","1","","Macreadie, Lauren K.; Forsyth, Craig M.; Turner, David R.; Chesman, Anthony S. R.","Cadmium tris(dithiocarbamate) ionic liquids as single source, solvent-free cadmium sulfide precursors.","Chemical communications (Cambridge, England)","2018","54","64","8925","8928","10.1039/c8cc03737j","","","0.71073","Synchrotron","","0.0419","0.0364","","","0.0922","0.0953","","","","","","1.052","","","","has coordinates","228228","2020-10-21","18:00:00",""
"7122008","21.093","0.004","22.769","0.005","10.847","0.002","90","","90","","90","","5209.5","1.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(Pr4N)[Cd((iBu)2dtc)3].(CH3)CO","tetrapropyammonium cadmium tris(diisobutyldithiocarbonate)","","- C42 H88 Cd N4 O S6 -","- C42 H88 Cd N4 O S6 -","- C168 H352 Cd4 N16 O4 S24 -","4","1","","Macreadie, Lauren K.; Forsyth, Craig M.; Turner, David R.; Chesman, Anthony S. R.","Cadmium tris(dithiocarbamate) ionic liquids as single source, solvent-free cadmium sulfide precursors.","Chemical communications (Cambridge, England)","2018","54","64","8925","8928","10.1039/c8cc03737j","","","0.71073","Synchrotron","","0.0385","0.0368","","","0.0938","0.0957","","","","","","1.122","","","","has coordinates,has disorder","228228","2020-10-21","18:00:00",""
"7122009","33.35","0.013","5.917","0.002","21.754","0.01","90","","119.191","0.009","90","","3748","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 Cl N3 -","- C23 H22 Cl N3 -","- C184 H176 Cl8 N24 -","8","1","","Chen, Xiuwen; Zhao, He; Chen, Chunlian; Jiang, Huanfeng; Zhang, Min","Transfer hydrogenative para-selective aminoalkylation of aniline derivatives with N-heteroarenes via ruthenium/acid dual catalysis.","Chemical communications (Cambridge, England)","2018","54","65","9087","9090","10.1039/c8cc04233k","","","0.71073","MoKα","","0.2094","0.0936","","","0.2339","0.3013","","","","","","0.997","","","","has coordinates,has disorder","228536","2020-10-21","18:00:00",""
"7122010","9.5656","0.0005","9.886","0.0004","16.5307","0.0008","94.667","0.002","95.131","0.002","116.737","0.002","1377.45","0.12","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","DiFluorido(pentafluoro-ortotellurato)-(1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene)gold(III)","","- C22 H28 Au Cl2 F7 N2 O Te -","- C22 H28 Au Cl2 F7 N2 O Te -","- C44 H56 Au2 Cl4 F14 N4 O2 Te2 -","2","1","","Ellwanger, Mathias A.; von Randow, Clara; Steinhauer, Simon; Zhou, Yunfei; Wiesner, Anja; Beckers, Helmut; Braun, Thomas; Riedel, Sebastian","Tuning the Lewis acidity of difluorido gold(iii) complexes: the synthesis of [AuClF<sub>2</sub>(SIMes)] and [AuF<sub>2</sub>(OTeF<sub>5</sub>)(SIMes)].","Chemical communications (Cambridge, England)","2018","54","67","9301","9304","10.1039/c8cc05233f","","x-ray","0.71073","MoKα","","0.0401","0.0306","","","0.0556","0.0581","","","","","","1.065","","","","has coordinates","228567","2020-10-21","18:00:00",""
"7122011","14.7369","0.0009","20.2843","0.0014","7.0652","0.0005","90","","90","","90","","2112","0.2","110","","110.04","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Chloridodifluorido-(1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene)gold(III)","","- C21 H26 Au Cl F2 N2 -","- C21 H26 Au Cl F2 N2 -","- C84 H104 Au4 Cl4 F8 N8 -","4","0.5","","Ellwanger, Mathias A.; von Randow, Clara; Steinhauer, Simon; Zhou, Yunfei; Wiesner, Anja; Beckers, Helmut; Braun, Thomas; Riedel, Sebastian","Tuning the Lewis acidity of difluorido gold(iii) complexes: the synthesis of [AuClF<sub>2</sub>(SIMes)] and [AuF<sub>2</sub>(OTeF<sub>5</sub>)(SIMes)].","Chemical communications (Cambridge, England)","2018","54","67","9301","9304","10.1039/c8cc05233f","","x-ray","0.71073","MoKα","","0.0234","0.0203","","","0.0435","0.0444","","","","","","1.118","","","","has coordinates,has disorder","228567","2020-10-21","18:00:00",""
"7122012","6.2372","0.0006","19.3447","0.0018","8.1649","0.0008","90","","108.024","0.005","90","","936.81","0.16","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pentafluoroorthotellurato trimethyl silane","Pentafluoro(trimethylsilanolato)tellurium","","- C3 H9 F5 O Si Te -","- C3 H9 F5 O Si Te -","- C12 H36 F20 O4 Si4 Te4 -","4","1","","Ellwanger, Mathias A.; von Randow, Clara; Steinhauer, Simon; Zhou, Yunfei; Wiesner, Anja; Beckers, Helmut; Braun, Thomas; Riedel, Sebastian","Tuning the Lewis acidity of difluorido gold(iii) complexes: the synthesis of [AuClF<sub>2</sub>(SIMes)] and [AuF<sub>2</sub>(OTeF<sub>5</sub>)(SIMes)].","Chemical communications (Cambridge, England)","2018","54","67","9301","9304","10.1039/c8cc05233f","","x-ray","0.71073","MoKα","","0.0259","0.0203","","","0.0402","0.0415","","","","","","1.152","","","","has coordinates","228567","2020-10-21","18:00:00",""
"7122013","45.692","0.003","10.1726","0.0006","33.134","0.002","90","","130.894","0.002","90","","11641.9","1.3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Difluorido(pentafluoro-ortotellurato)-(1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene)gold(III) dilfuorobenzene pentafluoroorthoteluric acid addukt","","- C23.25 H27.5 Au F9.62 N2 O1.38 Te1.38 -","- C23.25 H27.5 Au F9.625 N2 O1.375 Te1.375 -","- C372 H440 Au16 F154 N32 O22 Te22 -","16","2","","Ellwanger, Mathias A.; von Randow, Clara; Steinhauer, Simon; Zhou, Yunfei; Wiesner, Anja; Beckers, Helmut; Braun, Thomas; Riedel, Sebastian","Tuning the Lewis acidity of difluorido gold(iii) complexes: the synthesis of [AuClF<sub>2</sub>(SIMes)] and [AuF<sub>2</sub>(OTeF<sub>5</sub>)(SIMes)].","Chemical communications (Cambridge, England)","2018","54","67","9301","9304","10.1039/c8cc05233f","","x-ray","0.71073","MoKα","","0.0598","0.0533","","","0.1434","0.1488","","","","","","1.159","","","","has coordinates","228567","2020-10-21","18:00:00",""
"7122014","10.0747","0.0003","10.1323","0.0003","10.7896","0.0003","68.543","0.003","62.333","0.003","65.904","0.003","869.06","0.05","294","2","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Li, Qiuyun; Li, Bin; Wang, Baiquan","Rhodium-catalyzed intramolecular cascade sequence for the formation of fused carbazole-annulated medium-sized rings by cleavage of C(sp<sup>2</sup>)-H/C(sp<sup>3</sup>)-H bonds.","Chemical communications (Cambridge, England)","2018","54","66","9147","9150","10.1039/c8cc04428g","","x-ray","1.54184","CuKα","","0.0477","0.0469","","","0.126","0.1268","","","","","","1.069","","","","has coordinates","228344","2020-10-21","18:00:00",""
"7122015","26.687","0.002","11.1023","0.0009","23.908","0.002","90","","99.655","0.001","90","","6983.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H37 B F2 N2 -","- C44 H37 B F2 N2 -","- C352 H296 B8 F16 N16 -","8","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Boens, Noël","Copper-catalyzed α-benzylation of BODIPYs via radical-triggered oxidative cross-coupling of two C-H bonds.","Chemical communications (Cambridge, England)","2018","54","65","9059","9062","10.1039/c8cc04679d","","","0.71073","MoKα","","0.084","0.0491","","","0.1083","0.1237","","","","","","1.023","","","","has coordinates","228535","2020-10-21","18:00:00",""
"7122016","11.5066","0.0011","11.9871","0.0012","13.3556","0.0013","90","","102.81","0.001","90","","1796.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B F2 N2 -","- C20 H21 B F2 N2 -","- C80 H84 B4 F8 N8 -","4","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Boens, Noël","Copper-catalyzed α-benzylation of BODIPYs via radical-triggered oxidative cross-coupling of two C-H bonds.","Chemical communications (Cambridge, England)","2018","54","65","9059","9062","10.1039/c8cc04679d","","","0.71073","MoKα","","0.0687","0.0501","","","0.1465","0.1665","","","","","","1.031","","","","has coordinates","228535","2020-10-21","18:00:00",""
"7122017","8.1055","0.001","10.403","0.0013","12.2541","0.0015","73.386","0.001","89.11","0.002","85.852","0.002","987.5","0.2","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 B F2 N3 O2 -","- C22 H16 B F2 N3 O2 -","- C44 H32 B2 F4 N6 O4 -","2","1","","Lv, Fan; Yu, Yang; Hao, Erhong; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Boens, Noël","Copper-catalyzed α-benzylation of BODIPYs via radical-triggered oxidative cross-coupling of two C-H bonds.","Chemical communications (Cambridge, England)","2018","54","65","9059","9062","10.1039/c8cc04679d","","","","","","0.091","","","","","","","","","","","","","","","has coordinates","228535","2020-10-21","18:00:00",""
"7122018","36.209","0.003","36.209","0.003","15.2135","0.0015","90","","90","","90","","19946","3","90","2","90","2","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C78 H194 Ba2 Cu6 N12 Ni4 O103 -","- C78 H60 Ba2 Cu6 N12 Ni4 O61.5 -","- C312 H240 Ba8 Cu24 N48 Ni16 O246 -","4","0.25","","Mon, Marta; Tiburcio, Estefanía; Ferrando-Soria, Jesús; Gil San Millán, Rodrigo; Navarro, Jorge A. R.; Armentano, Donatella; Pardo, Emilio","A post-synthetic approach triggers selective and reversible sulphur dioxide adsorption on a metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","65","9063","9066","10.1039/c8cc04482a","","","0.71073","MoKα","","0.2245","0.1826","","","0.4736","0.4992","","","","","","1.592","","","","has coordinates","228537","2020-10-21","18:00:00",""
"7122019","9.9551","0.0009","10.2283","0.0009","11.7216","0.0009","102.79","0.002","98.7","0.002","103.152","0.002","1107.55","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(1S,7aS)-1-(4-bromobenzoyl)-7a-phenyl-1H-azirino[1,2-a]indol-7(7aH)-one","","- C23 H15 Br Cl3 N O2 -","- C23 H15 Br Cl3 N O2 -","- C46 H30 Br2 Cl6 N2 O4 -","2","1","","Li, Jin-Shan; Liu, Yong-Jie; Li, Shen; Ma, Jun-An","Chiral phosphoric acid-catalyzed direct asymmetric mannich reaction of cyclic C-acylimines with simple ketones: facile access to C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2018","54","66","9151","9154","10.1039/c8cc05125a","","","0.71073","MoKα","","0.0509","0.038","","","0.1136","0.1217","","","","","","0.931","","","","has coordinates","228339","2020-10-21","18:00:00",""
"7122020","23.4539","0.0006","11.5987","0.0003","18.4225","0.0004","90","","91.682","0.001","90","","5009.4","0.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H80 Mo2 N4 -","- C54 H80 Mo2 N4 -","- C216 H320 Mo8 N16 -","4","0.5","","Pérez-Jiménez, Marina; Campos, Jesús; López-Serrano, Joaquín; Carmona, Ernesto","Reactivity of a trans-[H-Mo[quadruple bond, length as m-dash]Mo-H] unit towards alkenes and alkynes: bimetallic migratory insertion, H-elimination and other reactions.","Chemical communications (Cambridge, England)","2018","54","66","9186","9189","10.1039/c8cc04945a","","","0.71073","MoKα","","0.052","0.0331","","","0.0805","0.0904","","","","","","0.975","","","","has coordinates","228337","2020-10-21","18:00:00",""
"7122021","12.1566","0.0003","12.4253","0.0003","17.8335","0.0005","99.015","0.001","93.299","0.001","101.706","0.001","2593.99","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H144 Mo2 N4 O2 -","- C122 H144 Mo2 N4 O2 -","- C122 H144 Mo2 N4 O2 -","1","0.5","","Pérez-Jiménez, Marina; Campos, Jesús; López-Serrano, Joaquín; Carmona, Ernesto","Reactivity of a trans-[H-Mo[quadruple bond, length as m-dash]Mo-H] unit towards alkenes and alkynes: bimetallic migratory insertion, H-elimination and other reactions.","Chemical communications (Cambridge, England)","2018","54","66","9186","9189","10.1039/c8cc04945a","","","0.71073","MoKα","","0.0498","0.0357","","","0.077","0.0831","","","","","","1.023","","","","has coordinates","228337","2020-10-21","18:00:00",""
"7122022","12.1639","0.0006","19.6377","0.0009","23.5597","0.0011","90","","101.505","0.002","90","","5514.7","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 Mo2 N4 -","- C60 H84 Mo2 N4 -","- C240 H336 Mo8 N16 -","4","1","","Pérez-Jiménez, Marina; Campos, Jesús; López-Serrano, Joaquín; Carmona, Ernesto","Reactivity of a trans-[H-Mo[quadruple bond, length as m-dash]Mo-H] unit towards alkenes and alkynes: bimetallic migratory insertion, H-elimination and other reactions.","Chemical communications (Cambridge, England)","2018","54","66","9186","9189","10.1039/c8cc04945a","","","0.71073","MoKα","","0.0561","0.0381","","","0.0891","0.0978","","","","","","1.051","","","","has coordinates","228337","2020-10-21","18:00:00",""
"7122023","9.01882","0.00013","13.64803","0.00016","19.2371","0.0002","90","","90","","90","","2367.88","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl Cr N3 O2 -","- C22 H34 Cl Cr N3 O2 -","- C88 H136 Cl4 Cr4 N12 O8 -","4","1","","Schiwek, Christian H.; Vasilenko, Vladislav; Wadepohl, Hubert; Gade, Lutz H.","The open d-shell enforces the active space in 3d metal catalysis: highly enantioselective chromium(ii) pincer catalysed hydrosilylation of ketones.","Chemical communications (Cambridge, England)","2018","54","66","9139","9142","10.1039/c8cc05172k","","x-ray","0.71073","MoKα","","0.0449","0.0378","","","0.0912","0.0946","","","","","","1.041","","","","has coordinates","228343","2020-10-21","18:00:00",""
"7122024","11.7996","0.0007","14.2516","0.001","17.9837","0.0012","90","","90","","90","","3024.2","0.3","220","1","220","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Cr N3 O2 Si -","- C26 H45 Cr N3 O2 Si -","- C104 H180 Cr4 N12 O8 Si4 -","4","1","","Schiwek, Christian H.; Vasilenko, Vladislav; Wadepohl, Hubert; Gade, Lutz H.","The open d-shell enforces the active space in 3d metal catalysis: highly enantioselective chromium(ii) pincer catalysed hydrosilylation of ketones.","Chemical communications (Cambridge, England)","2018","54","66","9139","9142","10.1039/c8cc05172k","","x-ray","0.71073","MoKα","","0.1","0.0645","","","0.1553","0.1794","","","","","","1.056","","","","has coordinates","228343","2020-10-21","18:00:00",""
"7122025","9.1844","0.0002","14.3006","0.0003","14.7076","0.0004","90","","90","","90","","1931.73","0.08","149.95","0.1","149.95","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Tb(BH4)3(THF)3]","","- C12 H34.54 B2.63 I0.37 O3 Tb -","- C12 H34.5432 B2.6358 I0.3642 O3 Tb -","- C48 H138.173 B10.5432 I1.4568 O12 Tb4 -","4","0.5","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","x-ray","0.71073","MoKα","","0.0273","0.0267","","","0.0537","0.0539","","","","","","1.276","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122026","8.9188","0.0002","12.5674","0.0003","16.2017","0.0004","90","","91.122","0.002","90","","1815.64","0.07","150.11","0.02","150.11","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Y(BH4)3(THF)3]","","- C12 H34.42 B2.61 I0.4 O3 Y -","- C12 H34.424 B2.606 I0.394 O3 Y -","- C48 H137.696 B10.424 I1.576 O12 Y4 -","4","1","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","","1.54184","CuKα","","0.0949","0.0715","","","0.169","0.1882","","","","","","1.1","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122027","11.7358","0.0004","12.4581","0.0004","19.971","0.0009","82.81","0.003","89.321","0.003","79.728","0.003","2850.32","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","[Tb(Cpttt)2][BArF20]","","- C58 H58 B F20 Tb -","- C58 H58 B F20 Tb -","- C116 H116 B2 F40 Tb2 -","2","1","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","","0.71073","MoKα","","0.1249","0.0852","","","0.1912","0.2105","","","","","","1.026","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122028","10.332","0.0002","15.6294","0.0003","20.5234","0.0004","90","","99.173","0.002","90","","3271.8","0.11","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Tb(Cpttt)29BH4)]","","- C34 H62 B Tb -","- C34 H62 B Tb -","- C136 H248 B4 Tb4 -","4","1","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","x-ray","0.71073","MoKα","","0.0404","0.0357","","","0.0989","0.1022","","","","","","1.063","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122029","10.3453","0.0005","15.6331","0.0009","20.5613","0.0011","90","","99.312","0.005","90","","3281.5","0.3","150","0.3","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[Y(Cpttt)2(BH4)]","","- C34 H62 B Y -","- C34 H62 B Y -","- C136 H248 B4 Y4 -","4","1","","Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.","Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.","Chemical communications (Cambridge, England)","2018","54","66","9182","9185","10.1039/c8cc05261a","","x-ray","0.71073","MoKα","","0.1335","0.0876","","","0.2304","0.2756","","","","","","1.046","","","","has coordinates,has disorder","228340","2020-10-21","18:00:00",""
"7122030","10.5553","0.0003","14.7194","0.0005","25.9642","0.0008","90","","100.032","0.002","90","","3972.3","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Al F36 Ga O4 -","- C28 H18 Al F36 Ga O4 -","- C112 H72 Al4 F144 Ga4 O16 -","4","1","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","","0.71073","MoKα","","0.0426","0.031","","","0.0807","0.0854","","","","","","1.022","","","","has coordinates,has disorder","228412","2020-10-21","18:00:00",""
"7122031","22.3404","0.0015","20.5472","0.001","23.5734","0.0015","90","","109.786","0.001","90","","10182.1","1.1","100","2","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Ag Al F36 O4 -","- C40 H36 Ag Al F36 O4 -","- C320 H288 Ag8 Al8 F288 O32 -","8","4","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","","0.71073","MoKα","","0.0845","0.0696","","","0.186","0.201","","","","","","1.026","","","","has coordinates,has disorder","228412","2020-10-21","18:00:00",""
"7122032","10.6026","0.0006","17.5964","0.0011","11.1567","0.0006","90","","113.373","0.003","90","","1910.7","0.2","100","2","100.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H12 Al F36 In O4 -","- C25 H12 Al F36 In O4 -","- C50 H24 Al2 F72 In2 O8 -","2","1","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","x-ray","0.71073","MoKα","","0.0456","0.0414","","","0.0991","0.1008","","","","","","1.05","","","","has coordinates","228412","2020-10-21","18:00:00",""
"7122033","10.5712","0.0001","14.7281","0.0002","26.0049","0.0004","90","","100.363","0.001","90","","3982.75","0.09","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 Al F36 In O4 -","- C28 H18 Al F36 In O4 -","- C112 H72 Al4 F144 In4 O16 -","4","1","","Schorpp, Marcel; Rein, Stephan; Weber, Stefan; Scherer, Harald; Krossing, Ingo","Guilty and charged: a stable solution of the hexamethylbenzene radical cation as a ligand forming oxidising agent.","Chemical communications (Cambridge, England)","2018","54","72","10036","10039","10.1039/c8cc04690e","","","0.71073","MoKα","","0.0492","0.0333","","","0.0749","0.0803","","","","","","1.073","","","","has coordinates,has disorder","228412","2020-10-21","18:00:00",""
"7122034","10.819","0.0008","23.7852","0.0016","35.167","0.002","90","","93.979","0.005","90","","9027.8","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H50 Cl5 F9 N12 O6 S16 -","- C87 H50 Cl5 F9 N12 O6 S16 -","- C348 H200 Cl20 F36 N48 O24 S64 -","4","1","","Mckeown, George R.; Manion, Joseph G.; Lough, Alan J.; Seferos, Dwight S.","Synthesis of fused-ring aza-dipyrromethenes from aromatic nitriles.","Chemical communications (Cambridge, England)","2018","54","64","8893","8896","10.1039/c8cc04658a","","","1.54178","CuKα","","0.1455","0.0702","","","0.1531","0.1889","","","","","","1.041","","","","has coordinates,has disorder","228237","2020-10-21","18:00:00",""
"7122035","16.0364","0.0004","7.5753","0.0002","16.754","0.0004","90","","117.214","0.001","90","","1809.99","0.08","150","2","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang","Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling.","Chemical communications (Cambridge, England)","2018","54","66","9226","9229","10.1039/c8cc04734k","","","1.54178","CuKα","","0.0563","0.0509","","","0.137","0.1523","","","","","","1.087","","","","has coordinates","228333","2020-10-21","18:00:00",""
"7122036","14.7755","0.0006","16.6199","0.0006","7.5149","0.0003","90","","100.035","0.001","90","","1817.18","0.12","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N S -","- C24 H17 N S -","- C96 H68 N4 S4 -","4","1","","Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang","Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling.","Chemical communications (Cambridge, England)","2018","54","66","9226","9229","10.1039/c8cc04734k","","","0.71073","MoKα","","0.0513","0.0384","","","0.0978","0.1122","","","","","","1.156","","","","has coordinates","228333","2020-10-21","18:00:00",""
"7122037","14.9778","0.0005","16.6273","0.0006","7.5305","0.0002","90","","99.679","0.001","90","","1848.7","0.1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N Se -","- C24 H17 N Se -","- C96 H68 N4 Se4 -","4","1","","Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang","Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling.","Chemical communications (Cambridge, England)","2018","54","66","9226","9229","10.1039/c8cc04734k","","","0.71073","MoKα","","0.031","0.0259","","","0.0703","0.0729","","","","","","1.118","","","","has coordinates","228333","2020-10-21","18:00:00",""
"7122038","16.6483","0.0005","10.5534","0.0004","18.3838","0.0006","90","","97.541","0.002","90","","3202.03","0.19","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Cl Cu N6 -","- C30 H42 Cl Cu N6 -","- C120 H168 Cl4 Cu4 N24 -","4","1","","Rasale, Dnyaneshwar; Patil, Kiran; Sauter, Basilius; Geigle, Stefanie; Zhanybekova, Saule; Gillingham, Dennis","A new water soluble copper N-heterocyclic carbene complex delivers mild O<sup>6</sup>G-selective RNA alkylation.","Chemical communications (Cambridge, England)","2018","54","66","9174","9177","10.1039/c8cc04476g","","","1.34143","GaKα","","0.1541","0.0716","","0.189","0.0831","0.0936","","","","","","0.9887","","","","has coordinates","228336","2020-10-21","18:00:00",""
"7122039","10.8699","0.0006","12.8241","0.0008","17.0041","0.001","109.788","0.001","96.434","0.001","99.529","0.001","2163.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 Cl5 N6 Pt2 -","- C42 H41 Cl5 N6 Pt2 -","- C84 H82 Cl10 N12 Pt4 -","2","1","","Gee, Jack C.; Fuller, Beth A.; Lockett, Hannah-Marie; Sedghi, Gita; Robertson, Craig M.; Luzyanin, Konstantin V.","Visible light accelerated hydrosilylation of alkynes using platinum-[acyclic diaminocarbene] photocatalysts.","Chemical communications (Cambridge, England)","2018","54","68","9450","9453","10.1039/c8cc04287j","","","0.71073","MoKα","","0.0542","0.0332","","","0.0574","0.0643","","","","","","1.008","","","","has coordinates","228513","2020-10-21","18:00:00",""
"7122040","9.588","0.004","14.091","0.007","15.915","0.007","88.6","0.02","78.027","0.016","88.2","0.03","2102","1.7","133","2","133.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cl N O3 -","- C26 H22 Cl N O3 -","- C104 H88 Cl4 N4 O12 -","4","2","","Zhao, Hong-Wu; Du, Juan; Guo, Jia-Ming; Feng, Ning-Ning; Wang, Li-Ru; Ding, Wan-Qiu; Song, Xiu-Qing","Formal [5+2] cycloaddition of vinylethylene carbonates to oxazol-5-(4H)-ones for the synthesis of 3,4-dihydrooxepin-2(7H)-ones.","Chemical communications (Cambridge, England)","2018","54","66","9178","9181","10.1039/c8cc04584d","","","0.71073","MoKα","","0.107","0.0868","","","0.225","0.2348","","","","","","1.112","","","","has coordinates","228335","2020-10-21","18:00:00",""
"7122041","17.2304","0.0017","13.7966","0.0014","22.128","0.003","90","","90","","90","","5260.3","1","103","2","103","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H18 B2 F15 N -","- C26 H18 B2 F15 N -","- C208 H144 B16 F120 N8 -","8","1","","Winner, Lena; Bélanger-Chabot, Guillaume; Celik, Mehmet Ali; Schäfer, Marius; Braunschweig, Holger","Intriguing migrations in transient iminoborane adducts: two new pathways to aminoboranes.","Chemical communications (Cambridge, England)","2018","54","67","9349","9351","10.1039/c8cc05220d","","","0.71073","MoKα","","0.0913","0.0522","","","0.1205","0.1403","","","","","","1.023","","","","has coordinates","228571","2020-10-21","18:00:00",""
"7122042","10.9215","0.0007","18.1709","0.0013","18.1668","0.0012","90","","99.987","0.002","90","","3550.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B N3 -","- C40 H56 B N3 -","- C160 H224 B4 N12 -","4","1","","Winner, Lena; Bélanger-Chabot, Guillaume; Celik, Mehmet Ali; Schäfer, Marius; Braunschweig, Holger","Intriguing migrations in transient iminoborane adducts: two new pathways to aminoboranes.","Chemical communications (Cambridge, England)","2018","54","67","9349","9351","10.1039/c8cc05220d","","","0.71073","MoKα","","0.0822","0.0552","","","0.1341","0.1479","","","","","","1.048","","","","has coordinates","228571","2020-10-21","18:00:00",""
"7122043","9.126","0.002","9.491","0.003","11.16","0.003","101.7","0.03","96.75","0.02","96.63","0.03","930.3","0.5","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C48 H40 N4 O2 -","2","1","","Zhang, Lvye; Wu, Binqiang; Chen, Zhangtao; Hu, Jinjin; Zeng, Xiaofei; Zhong, Guofu","Chiral phosphoric acid catalyzed enantioselective N-alkylation of indoles with in situ generated cyclic N-acyl ketimines.","Chemical communications (Cambridge, England)","2018","54","66","9230","9233","10.1039/c8cc05073b","","","0.71073","MoKα","","0.1131","0.0704","","","0.1839","0.2249","","","","","","1.026","","","","has coordinates","228342","2020-10-21","18:00:00",""
"7122044","7.94286","0.00015","14.5267","0.0003","16.8597","0.0004","75.958","0.0018","85.8331","0.0017","87.3903","0.0016","1881.43","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","Miconazole hemi-(hydrogen peroxide) solvate","1-?[2-?(2,?4-?dichlorophenyl)?-?2-?[(2,?4-?dichlorophenyl)?methoxy]?ethyl]?-1H-?Imidazole hemi-(hydrogen peroxide) solvate","","- C36 H30 Cl8 N4 O4 -","- C36 H30 Cl8 N4 O4 -","- C72 H60 Cl16 N8 O8 -","2","1","","Kersten, Kortney M.; Breen, Meghan E.; Mapp, Anna K.; Matzger, Adam J.","Pharmaceutical solvate formation for the incorporation of the antimicrobial agent hydrogen peroxide.","Chemical communications (Cambridge, England)","2018","54","67","9286","9289","10.1039/c8cc04530e","","x-ray","1.54184","CuKα","","0.0581","0.0552","","","0.1805","0.1814","","","","","","1.122","","","","has coordinates","228570","2020-10-21","18:00:00",""
"7122045","11.6289","0.0009","10.409","0.0008","22.0032","0.0019","90","","101.519","0.002","90","","2609.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N O4 -","- C32 H27 N O4 -","- C128 H108 N4 O16 -","4","1","","Sha, Hong-Kai; Xu, Ting; Liu, Feng; Tang, Bu-Zheng; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Metal-free naphthannulation reactions of yne-allenone esters for accessing polycyclic aromatic hydrocarbons.","Chemical communications (Cambridge, England)","2018","54","74","10415","10418","10.1039/c8cc05018j","","","0.71073","MoKα","","0.1392","0.0644","","","0.1672","0.1914","","","","","","1.052","","","","has coordinates,has disorder","228207","2020-10-21","18:00:00",""
"7122046","8.821","0.0019","9.509","0.002","19.681","0.004","90","","90","","90","","1650.8","0.6","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C32 H48 N48 O48 -","8","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.1098","0.0619","","","0.1536","0.1835","","","","","","1.018","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122047","8.582","0.005","11.47","0.007","10.482","0.006","90","","110.736","0.011","90","","965","1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 Cl N6 O6 -","- C4 H5 Cl N6 O6 -","- C16 H20 Cl4 N24 O24 -","4","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0492","0.0397","","","0.0996","0.1052","","","","","","1.035","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122048","5.886","0.003","8.134","0.004","20.46","0.009","99.275","0.011","90.656","0.01","93.353","0.01","964.9","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N7 O8 -","- C4 H5 N7 O8 -","- C16 H20 N28 O32 -","4","2","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0817","0.0525","","","0.1418","0.1517","","","","","","1.012","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122049","7.1223","0.0015","10.448","0.002","11.389","0.003","90","","90","","90","","847.5","0.3","173","","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C16 H24 N24 O24 -","4","0.5","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0851","0.0526","","","0.1521","0.1956","","","","","","1.109","","","","has coordinates,has disorder","228572","2020-10-21","18:00:00",""
"7122050","8.1381","0.0017","11.242","0.002","11.677","0.002","90","","106.132","0.005","90","","1026.2","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Cl N7 O7 -","- C4 H4 Cl N7 O7 -","- C16 H16 Cl4 N28 O28 -","4","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0581","0.0464","","","0.1201","0.1262","","","","","","1.055","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122051","18.913","0.011","5.827","0.003","18.914","0.01","90","","102.724","0.013","90","","2033.2","1.9","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N7 O8 -","- C4 H5 N7 O8 -","- C32 H40 N56 O64 -","8","2","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0964","0.0531","","","0.1262","0.1499","","","","","","0.979","","","","has coordinates","228572","2020-10-21","18:00:00",""
"7122052","11.4945","0.0017","11.5752","0.0018","16.011","0.002","90","","90","","90","","2130.3","0.5","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H4 Cl N7 O8 -","- C4 H4 Cl N7 O8 -","- C32 H32 Cl8 N56 O64 -","8","1","","Yan, Chao; Yang, Hongwei; Qi, Xiujuan; Jin, Yunhe; Wang, Kangcai; Liu, Tianlin; Tian, Junjun; Nie, Fude; Cheng, Guangbin; Zhang, Qinghua","A simple and versatile strategy for taming FOX-7.","Chemical communications (Cambridge, England)","2018","54","67","9333","9336","10.1039/c8cc05562a","","","0.71073","MoKα","","0.0354","0.0295","","","0.0744","0.0784","","","","","","1.039","","","","has coordinates,has disorder","228572","2020-10-21","18:00:00",""
"7122053","32.1007","0.0004","12.451","0.0002","25.1623","0.0004","90","","99.965","0.002","90","","9905.3","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H73 Cl N5 Ni O3.5 Si2 -","- C43 H73 Cl N5 Ni O3.5 Si2 -","- C344 H584 Cl8 N40 Ni8 O28 Si16 -","8","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0598","0.049","","","0.1324","0.1441","","","","","","1.011","","","","has coordinates,has disorder","228568","2020-10-21","18:00:00",""
"7122054","11.2566","0.0005","12.7269","0.0006","17.1548","0.0007","89.747","0.004","85.046","0.003","86.16","0.004","2442.94","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H77 Cl N6 Ni O2 Si2 -","- C44 H77 Cl N6 Ni O2 Si2 -","- C88 H154 Cl2 N12 Ni2 O4 Si4 -","2","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0535","0.0424","","","0.1125","0.1241","","","","","","1.03","","","","has coordinates","228568","2020-10-21","18:00:00",""
"7122055","9.394","0.0005","11.9351","0.0006","20.7497","0.0011","86.519","0.004","79.694","0.004","82.07","0.004","2265.4","0.2","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H66 Cl N5 Ni O5 Si2 -","- C39 H66 Cl N5 Ni O5 Si2 -","- C78 H132 Cl2 N10 Ni2 O10 Si4 -","2","2","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0938","0.0739","","","0.1836","0.2067","","","","","","1.036","","","","has coordinates","228568","2020-10-21","18:00:00",""
"7122056","10.2787","0.0002","15.5439","0.0003","21.1529","0.0004","90","","90","","90","","3379.62","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H50 N4 Ni O -","- C35 H50 N4 Ni O -","- C140 H200 N16 Ni4 O4 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0427","0.0365","","","0.0901","0.0962","","","","","","1.031","","","","has coordinates,has disorder","228568","2020-10-21","18:00:00",""
"7122057","13.8284","0.0002","14.3306","0.0002","24.1972","0.0003","90","","104.6","0.002","90","","4640.3","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 Cl N5 Ni O5 Si2 -","- C39 H66 Cl N5 Ni O5 Si2 -","- C156 H264 Cl4 N20 Ni4 O20 Si8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0478","0.0382","","","0.1013","0.1121","","","","","","1.023","","","","has coordinates","228568","2020-10-21","18:00:00",""
"7122058","12.5272","0.0001","15.8955","0.0002","13.0261","0.0001","90","","90.227","0.001","90","","2593.82","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 N4 Ni O2 -","- C24 H40 N4 Ni O2 -","- C96 H160 N16 Ni4 O8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0329","0.0308","","","0.0855","0.088","","","","","","1.054","","","","has coordinates","228568","2020-10-21","18:00:00",""
"7122059","13.5677","0.0011","17.9941","0.0015","12.3197","0.001","90","","99.37","0.001","90","","2967.6","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(pin)B-B(aam)","","","- C13 H18 B2 N2 O3 -","- C13 H16 B2 N2 O3 -","- C104 H128 B16 N16 O24 -","8","2","","Kamio, Shintaro; Kageyuki, Ikuo; Osaka, Itaru; Hatano, Sayaka; Abe, Manabu; Yoshida, Hiroto","Anthranilamide (aam)-substituted diboron: palladium-catalyzed selective B(aam) transfer.","Chemical communications (Cambridge, England)","2018","54","67","9290","9293","10.1039/c8cc05645e","","","0.71073","MoKa","","0.064","0.0463","","","0.1171","0.128","","","","","","1.027","","","","has coordinates","228573","2020-10-21","18:00:00",""
"7122060","13.217","0.005","11.608","0.005","10.778","0.004","90","","102.985","0.006","90","","1611.3","1.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(pin)B-B(dan)","","","- C16 H20 B2 N2 O2 -","- C16 H20 B2 N2 O2 -","- C64 H80 B8 N8 O8 -","4","1","","Kamio, Shintaro; Kageyuki, Ikuo; Osaka, Itaru; Hatano, Sayaka; Abe, Manabu; Yoshida, Hiroto","Anthranilamide (aam)-substituted diboron: palladium-catalyzed selective B(aam) transfer.","Chemical communications (Cambridge, England)","2018","54","67","9290","9293","10.1039/c8cc05645e","","","0.71073","MoKa","","0.0656","0.0485","","","0.12","0.1331","","","","","","1.003","","","","has coordinates","228573","2020-10-21","18:00:00",""
"7122061","15.714","0.0007","15.714","0.0007","9.1939","0.0004","90","","90","","120","","1966.09","0.15","100","","100","","","","","","","","","4","P -3","-P 3","147","","","","- C36 H54 N4 O6 -","- C36 H54 N4 O6 -","- C72 H108 N8 O12 -","2","0.333333","","Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.","Chemical communications (Cambridge, England)","2018","54","73","10276","10279","10.1039/c8cc04409k","","","0.71075","MoKα","","0.0684","0.0576","","","0.1887","0.2077","","","","","","1.149","","","","has coordinates","228044","2020-10-21","18:00:00",""
"7122062","15.0466","0.0013","21.7784","0.0019","25.24","0.002","90","","92.93","0.003","90","","8260.1","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C165 H228 N16 Nd4 O24 -","- C165 H228 N16 Nd4 O24 -","- C330 H456 N32 Nd8 O48 -","2","0.5","","Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.","Chemical communications (Cambridge, England)","2018","54","73","10276","10279","10.1039/c8cc04409k","","","0.71073","MoKα","","0.0389","0.0293","","","0.0675","0.0753","","","","","","1.167","","","","has coordinates,has disorder","228044","2020-10-21","18:00:00",""
"7122063","10.1532","0.0007","16.0011","0.0012","16.825","0.0012","73.266","0.002","89.599","0.002","74.177","0.002","2510.9","0.3","100","1","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H59 N4 Nd O7 -","- C40 H59 N4 Nd O7 -","- C80 H118 N8 Nd2 O14 -","2","1","","Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.","Chemical communications (Cambridge, England)","2018","54","73","10276","10279","10.1039/c8cc04409k","","","0.71073","MoKα","","0.0479","0.0439","","","0.1105","0.1144","","","","","","1.13","","","","has coordinates,has disorder","228044","2020-10-21","18:00:00",""
"7122064","10.0807","0.0008","15.9867","0.0012","16.7547","0.0012","74.347","0.002","89.439","0.002","74.228","0.002","2496.2","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H67 Dy N4 O8 -","- C44 H67 Dy N4 O8 -","- C88 H134 Dy2 N8 O16 -","2","1","","Cole, Bren E.; Falcones, Ingemar B.; Cheisson, Thibault; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","A molecular basis to rare earth separations for recycling: tuning the TriNOx ligand properties for improved performance.","Chemical communications (Cambridge, England)","2018","54","73","10276","10279","10.1039/c8cc04409k","","","0.71073","MoKα","","0.0638","0.0529","","","0.1179","0.1226","","","","","","1.041","","","","has coordinates,has disorder","228044","2020-10-21","18:00:00",""
"7122065","11.1805","0.0004","12.0077","0.0006","16.8416","0.0006","71.554","0.004","78.981","0.003","68.315","0.004","1985.98","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H48 N6 O5 -","- C44 H48 N6 O5.1 -","- C88 H96 N12 O10.2 -","2","1","","Lee, Juhoon; Brewster, James T.; Song, Bo; Lynch, Vincent M.; Hwang, Inhong; Li, Xiaopeng; Sessler, Jonathan L.","Uranyl dication mediated photoswitching of a calix[4]pyrrole-based metal coordination cage.","Chemical communications (Cambridge, England)","2018","54","68","9422","9425","10.1039/c8cc05160g","","","1.54184","CuKα","","0.0759","0.0565","","","0.1586","0.1687","","","","","","1.015","","","","has coordinates","228514","2020-10-21","18:00:00",""
"7122066","19.2663","0.0011","25.3809","0.0014","24.2879","0.0013","90","","96.389","0.003","90","","11802.9","1.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H200 N24 O32 U4 -","- C192 H200 N24 O32 U4 -","- C384 H400 N48 O64 U8 -","2","0.5","","Lee, Juhoon; Brewster, James T.; Song, Bo; Lynch, Vincent M.; Hwang, Inhong; Li, Xiaopeng; Sessler, Jonathan L.","Uranyl dication mediated photoswitching of a calix[4]pyrrole-based metal coordination cage.","Chemical communications (Cambridge, England)","2018","54","68","9422","9425","10.1039/c8cc05160g","","","0.71073","MoKα","","0.1414","0.061","","","0.1237","0.155","","","","","","1.04","","","","has coordinates,has disorder","228514","2020-10-21","18:00:00",""
"7122067","7.68141","0.00014","10.8441","0.0002","23.4756","0.0004","90","","90","","90","","1955.47","0.06","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 N2 O3 S2 Si -","- C15 H26 N2 O3 S2 Si -","- C60 H104 N8 O12 S8 Si4 -","4","1","","Sohtome, Yoshihiro; Shimazu, Tadahiro; Barjau, Joaquin; Fujishiro, Shinya; Akakabe, Mai; Terayama, Naoki; Dodo, Kosuke; Ito, Akihiro; Yoshida, Minoru; Shinkai, Yoichi; Sodeoka, Mikiko","Unveiling epidithiodiketopiperazine as a non-histone arginine methyltransferase inhibitor by chemical protein methylome analyses.","Chemical communications (Cambridge, England)","2018","54","66","9202","9205","10.1039/c8cc03907k","","","1.54187","CuKα","","0.0278","0.0267","","","0.0656","0.0661","","","","","","1.08","","","","has coordinates","228334","2020-10-21","18:00:00",""
"7122068","12.8484","0.0012","6.1584","0.0006","13.6137","0.0013","90","","97.415","0.004","90","","1068.18","0.18","296","2","296","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","2","","Wu, Xiang; Chen, Shu-Sen; Zhang, Ling; Wang, Hai-Jun; Gong, Liu-Zhu","Palladium-catalyzed enantioselective carboannulation of 1,3-dienes with aryl iodides enables access to chiral indanes.","Chemical communications (Cambridge, England)","2018","54","69","9595","9598","10.1039/c8cc04641g","","","1.54178","CuKα","","0.0421","0.0387","","","0.0911","0.0942","","","","","","1.106","","","","has coordinates","228209","2020-10-21","18:00:00",""
"7122069","9.8509","0.0003","13.4787","0.0004","22.2482","0.0007","90","","96.124","0.002","90","","2937.2","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H59 N4 O8 -","- C76 H59 N4 O8 -","- C152 H118 N8 O16 -","2","1","","Ling, Zheng; Xie, Fang; Gridnev, Ilya D.; Terada, Masahiro; Zhang, Wanbin","Cu-Catalyzed switchable synthesis of functionalized pyridines and pyrroles.","Chemical communications (Cambridge, England)","2018","54","68","9446","9449","10.1039/c8cc05307c","","","1.54178","CuKα","","0.1109","0.096","","","0.2505","0.2761","","","","","","1.035","","","","has coordinates","228512","2020-10-21","18:00:00",""
"7122070","16.3964","0.0005","24.3356","0.0007","8.2487","0.0002","90","","94.46","0.001","90","","3281.4","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H29 N2 O8 S2 -","- C38 H29 N2 O8 S2 -","- C152 H116 N8 O32 S8 -","4","1","","Ling, Zheng; Xie, Fang; Gridnev, Ilya D.; Terada, Masahiro; Zhang, Wanbin","Cu-Catalyzed switchable synthesis of functionalized pyridines and pyrroles.","Chemical communications (Cambridge, England)","2018","54","68","9446","9449","10.1039/c8cc05307c","","","1.54178","CuKα","","0.0431","0.0378","","","0.1143","0.1231","","","","","","0.65","","","","has coordinates","228512","2020-10-21","18:00:00",""
"7122071","11.871","0.002","17.675","0.004","19.376","0.004","90","","90","","90","","4065.5","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","arsagermene","","- C36 H71 As Ge Si2 -","- C36 H71 As Ge Si2 -","- C144 H284 As4 Ge4 Si8 -","4","1","","Lee, Vladimir Ya; Kawai, Manami; Gapurenko, Olga A.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","Arsagermene, a compound with an -As[double bond, length as m-dash]Ge[double bond splayed right] double bond.","Chemical communications (Cambridge, England)","2018","54","78","10947","10949","10.1039/c8cc05630g","","","0.71073","MoKα","","0.0608","0.0496","","","0.1248","0.1328","","","","","","1.063","","","","has coordinates","227988","2020-10-21","18:00:00",""
"7122072","7.753","0.002","14.532","0.004","11.144","0.003","90","","98.574","0.006","90","","1241.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Zhang, Ruizhong; Tong, Feng; Yang, Liuqing; Adsetts, Jonathan Ralph; Yan, Tianhao; Wang, Ruiyao; Ding, Zhifeng; Wang, Hong-Bo","Facile synthesis and efficient electrochemiluminescence of a readily accessible pyridopyrimidine.","Chemical communications (Cambridge, England)","2018","54","71","9897","9900","10.1039/c8cc05490h","","","0.71073","MoKα","","0.0444","0.0348","","","0.0915","0.1021","","","","","","1.069","","","","has coordinates","228275","2020-10-21","18:00:00",""
"7122073","16.827","0.0012","14.9556","0.001","8.5588","0.0006","90","","90","","90","","2153.9","0.3","140","2","140","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H24 Cl2 N O2 Ta -","- C23 H24 Cl2 N O2 Ta -","- C92 H96 Cl8 N4 O8 Ta4 -","4","1","","Štarha, Pavel; Trávníček, Zdeněk; Dvořák, Zdeněk","A cytotoxic tantalum(v) half-sandwich complex: a new challenge for metal-based anticancer agents.","Chemical communications (Cambridge, England)","2018","54","68","9533","9536","10.1039/c8cc05223a","","","0.71073","MoKα","","0.0611","0.0475","","","0.1055","0.1103","","","","","","1.015","","","","has coordinates","228508","2020-10-21","18:00:00",""
"7122074","10.914","0.005","21.762","0.01","5.713","0.003","90","","91.119","0.009","90","","1356.6","1.1","193","2","193","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Su, Shikuan; Li, Jianxiong; Sun, Mingming; Zhao, Hongbin; Chen, Yali; Li, Jian","A domino reaction of 2-isocyanophenyloxyacrylate and aryne to synthesize arenes with vicinal olefin and benzoxazole.","Chemical communications (Cambridge, England)","2018","54","69","9611","9614","10.1039/c8cc05735d","","","0.71073","MoKα","","0.0677","0.0533","","","0.1375","0.1538","","","","","","1.089","","","","has coordinates","228213","2020-10-21","18:00:00",""
"7122075","10.986","0.007","11.502","0.008","13.713","0.009","111.941","0.008","101.876","0.007","104.589","0.008","1466.1","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O3 -","- C17 H12 Cl N O3 -","- C68 H48 Cl4 N4 O12 -","4","2","","Su, Shikuan; Li, Jianxiong; Sun, Mingming; Zhao, Hongbin; Chen, Yali; Li, Jian","A domino reaction of 2-isocyanophenyloxyacrylate and aryne to synthesize arenes with vicinal olefin and benzoxazole.","Chemical communications (Cambridge, England)","2018","54","69","9611","9614","10.1039/c8cc05735d","","","0.71073","MoKα","","0.1255","0.0861","","","0.2322","0.2791","","","","","","1.008","","","","has coordinates","228213","2020-10-21","18:00:00",""
"7122076","4.9111","0.0001","8.9793","0.0002","18.918","0.0004","90","","90","","90","","834.25","0.03","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 F2 O S -","- C8 H8 F2 O S -","- C32 H32 F8 O4 S4 -","4","1","","Batisse, Chloé; Panossian, Armen; Hanquet, Gilles; Leroux, Frédéric R","Access towards enantiopure α,α-difluoromethyl alcohols by means of sulfoxides as traceless chiral auxiliaries.","Chemical communications (Cambridge, England)","2018","54","74","10423","10426","10.1039/c8cc05571h","","","0.71073","MoKα","","0.0388","0.0327","","","0.0845","0.0926","","","","","","1.14","","","","has coordinates","228205","2020-10-21","18:00:00",""
"7122077","12.5999","0.0008","12.8512","0.0007","13.5479","0.0009","63.165","0.006","62.666","0.007","64.519","0.006","1668.7","0.2","289.7","0.5","289.7","0.5","","","","","","","","5","P -1","-P 1","2","","ethyl 2,2-difluoro-2-(2-methoxy-4-(pyrimidin-2-ylamino)phenyl)acetate","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","2","","Wang, Xin-Gang; Li, Yuke; Zhang, Lu-Lu; Zhang, Bo-Sheng; Wang, Qiang; Ma, Jun-Wei; Liang, Yong-Min","Ruthenium(ii)-catalyzed selective C-H difluoroalkylation of aniline derivatives with pyrimidyl auxiliaries.","Chemical communications (Cambridge, England)","2018","54","68","9541","9544","10.1039/c8cc05067h","","x-ray","1.54184","CuKα","","0.099","0.0789","","","0.25","0.3102","","","","","","1.169","","","","has coordinates","228507","2020-10-21","18:00:00",""
"7122078","21.982","0.0005","21.982","0.0005","10.3781","0.0003","90","","90","","120","","4342.93","0.19","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C42.5 H29 N3 O0.5 -","- C42.5001 H29.0004 N3 O0.5001 -","- C255.001 H174.002 N18 O3.0006 -","6","0.333333","","Ou, Arnold; Guédin, Aurore; Skelton, Brian W.; Amrane, Samir; Evans, Cameron W.; Norret, Marck; Iyer, K. Swaminathan; Mergny, Jean-Louis; Smith, Nicole M.","Multicarbazole scaffolds for selective G-quadruplex binding.","Chemical communications (Cambridge, England)","2018","54","69","9647","9650","10.1039/c8cc03945c","","x-ray","1.54184","CuKα","","0.0506","0.0402","","","0.1053","0.1116","","","","","","1.074","","","","has coordinates,has disorder","228210","2020-10-21","18:00:00",""
"7122079","7.531","0.002","21.121","0.006","14.986","0.004","90","","91.728","0.006","90","","2382.6","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Mo N6 O3 -","- C26 H22 Mo N6 O3 -","- C104 H88 Mo4 N24 O12 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Lyssenko, K. A.; Gilmutdinov, I. F.; Bikbaev, K. Sh; Masitov, A. A.; Yagubskii, E. B.","(Et<sub>4</sub>N)[Mo<sup>III</sup>(DAPBH)Cl<sub>2</sub>], the first pentagonal-bipyramidal Mo(iii) complex with a N<sub>3</sub>O<sub>2</sub>-type Schiff-base ligand: manifestation of unquenched orbital momentum and Ising-type magnetic anisotropy.","Chemical communications (Cambridge, England)","2018","54","72","10084","10087","10.1039/c8cc06038j","","","0.71073","MoKα","","0.0924","0.0619","","","0.128","0.1404","","","","","","1.07","","","","has coordinates","228410","2020-10-21","18:00:00",""
"7122080","21.9939","0.0008","11.0133","0.0004","12.8402","0.0004","90","","90","","90","","3110.22","0.19","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H39 Cl2 Mo N6 O2 -","- C31 H39 Cl2 Mo N6 O2 -","- C124 H156 Cl8 Mo4 N24 O8 -","4","1","","Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Lyssenko, K. A.; Gilmutdinov, I. F.; Bikbaev, K. Sh; Masitov, A. A.; Yagubskii, E. B.","(Et<sub>4</sub>N)[Mo<sup>III</sup>(DAPBH)Cl<sub>2</sub>], the first pentagonal-bipyramidal Mo(iii) complex with a N<sub>3</sub>O<sub>2</sub>-type Schiff-base ligand: manifestation of unquenched orbital momentum and Ising-type magnetic anisotropy.","Chemical communications (Cambridge, England)","2018","54","72","10084","10087","10.1039/c8cc06038j","","","0.71073","MoKα","","0.0448","0.0327","","","0.0636","0.0679","","","","","","1.021","","","","has coordinates","228410","2020-10-21","18:00:00",""
"7122081","28.006","0.004","28.006","0.004","28.006","0.004","90","","90","","90","","21966","5","100","0.1","100","0.1","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C34 H28.62 Cl2 K3 N14 O24.31 Y3 -","- C33.9996 H27.9984 Cl2 K3 N13.9998 O24 Y3 -","- C543.994 H447.974 Cl32 K48 N223.997 O384 Y48 -","16","0.166667","","Mohideen, M Infas H; Belmabkhout, Youssef; Bhatt, Prashant M.; Shkurenko, Aleksander; Chen, Zhijie; Adil, Karim; Eddaoudi, Mohamed","Upgrading gasoline to high octane numbers using a zeolite-like metal-organic framework molecular sieve with ana-topology.","Chemical communications (Cambridge, England)","2018","54","68","9414","9417","10.1039/c8cc04824j","","","1.54178","CuKα","","0.0291","0.0283","","","0.0906","0.0913","","","","","","1.089","","","","has coordinates,has disorder","228509","2020-10-21","18:00:00",""
"7122082","10.266","0.002","12.111","0.002","23.973","0.005","87.84","0.03","77.96","0.03","76.14","0.03","2829.9","1.1","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C63 H79 N3 O3 Y -","- C63 H79 N3 O3 Y -","- C126 H158 N6 O6 Y2 -","2","1","","Tolmachova, Nataliya A.; Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Pridma, Stanislav O.; Chernykh, Anton V.; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of new fluorinated proline analogues from polyfluoroalkyl β-ketoacetals and ethyl isocyanoacetate.","Chemical communications (Cambridge, England)","2018","54","69","9683","9686","10.1039/c8cc05912h","","","0.71073","MoKα","","0.081","0.0573","","0.1539","0.1415","","","","0.975","1.061","1.061","","","","","has coordinates","228212","2020-10-21","18:00:00",""
"7122083","11.579","0.0005","10.2974","0.0004","9.8109","0.0004","90","","109.426","0.002","90","","1103.19","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl F5 N O3 -","- C7 H11 Cl F5 N O3 -","- C28 H44 Cl4 F20 N4 O12 -","4","1","","Tolmachova, Nataliya A.; Kondratov, Ivan S.; Dolovanyuk, Violetta G.; Pridma, Stanislav O.; Chernykh, Anton V.; Daniliuc, Constantin G.; Haufe, Günter","Synthesis of new fluorinated proline analogues from polyfluoroalkyl β-ketoacetals and ethyl isocyanoacetate.","Chemical communications (Cambridge, England)","2018","54","69","9683","9686","10.1039/c8cc05912h","","","1.54178","CuKα","","0.0365","0.0305","","","0.0712","0.0735","","","","","","1.083","","","","has coordinates","228212","2020-10-21","18:00:00",""
"7122084","16.4371","0.0009","9.2127","0.0004","24.407","0.0013","90","","109.415","0.006","90","","3485.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-N-Benzyl-2-((S*)-1-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)glutarimide","","- C18 H22 F3 N O3 -","- C18 H22 F3 N O3 -","- C144 H176 F24 N8 O24 -","8","2","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71073","MoKα","","0.0643","0.0384","","","0.0846","0.0969","","","","","","1.008","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122085","9.8654","0.0011","10.7372","0.0012","11.1375","0.0013","66.63","0.005","79.912","0.006","63.756","0.005","971.3","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","(2R*,3R*)-N-Benzyl-2- ((S*)-1-hydroxy-3-phenylpropyl)-3-(trifluoromethyl)glutarimide","","- C22 H22 F3 N O3 -","- C22 H22 F3 N O3 -","- C44 H44 F6 N2 O6 -","2","1","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71075","MoKα","","0.0514","0.0415","","","0.0969","0.1031","","","","","","1.025","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122086","11.0908","0.0007","9.261","0.0006","16.8687","0.0012","90","","94.711","0.007","90","","1726.8","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2S*,3R*,4R*)-N-Benzyl-2-(tert-butyl)-tetrahydro-6-oxo-4-(trifluoromethyl)-2H-pyran-3-carboxamide","","- C36 H44 F6 N2 O6 -","- C36 H44 F6 N2 O6 -","- C72 H88 F12 N4 O12 -","2","0.5","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71075","MoKα","","0.0475","0.0385","","","0.0926","0.0974","","","","","","1.036","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122087","9.9904","0.0003","10.9743","0.0003","19.9416","0.0007","90","","98.589","0.003","90","","2161.83","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-N-Benzyl-2-((1R*,2S*)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl)-3-(trifluoromethyl)- glutarimide","","- C23 H24 F3 N O5 -","- C23 H24 F3 N O5 -","- C92 H96 F12 N4 O20 -","4","1","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71073","MoKα","","0.0488","0.0364","","","0.0896","0.0972","","","","","","1.011","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122088","9.9948","0.0005","23.4736","0.0012","16.9093","0.0009","90","","92.259","0.005","90","","3964.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-N-Benzyl-2-((1R*,2S*)-1-hydroxy-2-phenylpropyl)-3-(trifluoromethyl)glutarimide","","- C22 H22 F3 N O3 -","- C22 H22 F3 N O3 -","- C176 H176 F24 N8 O24 -","8","2","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71073","MoKα","","0.0981","0.0517","","","0.1253","0.1536","","","","","","1.013","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122089","10.8871","0.0006","9.3186","0.0005","19.1257","0.0011","90","","101.892","0.006","90","","1898.71","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2R*,3R*,4R*)-N-benzyl-6-oxo-2-{(S*)-1-phenylethyl}-4-(trifluoromethyl)tetrahydro-2H-pyran-3- carboxamide","","- C22 H22 F3 N O3 -","- C22 H22 F3 N O3 -","- C88 H88 F12 N4 O12 -","4","1","","Inoue, Yuta; Hatayama, Takahiro; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Stereoselective aldol reactions using pseudo C<sub>2</sub> symmetric 1-benzyl-4-(trifluoromethyl)piperidine-2,6-dione.","Chemical communications (Cambridge, England)","2018","54","71","9913","9916","10.1039/c8cc05458d","","","0.71073","MoKα","","0.0438","0.0328","","","0.0741","0.0802","","","","","","1.025","","","","has coordinates","228274","2020-10-21","18:00:00",""
"7122090","23.29","0.003","12.0766","0.0017","5.2849","0.0007","90","","90","","90","","1486.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H15 F3 O3 S Se -","- C13 H15 F3 O3 S Se -","- C52 H60 F12 O12 S4 Se4 -","4","1","","Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis","Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.","Chemical communications (Cambridge, England)","2018","54","71","9909","9912","10.1039/c8cc05256e","","x-ray","0.71073","MoKα","","0.0738","0.0598","","0.136","0.1211","0.136","","","","","","0.9689","","","","has coordinates","228276","2020-10-21","18:00:00",""
"7122091","57.215","0.01","23.058","0.003","5.6571","0.0009","90","","90","","90","","7463","2","150.01","0.1","150.01","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H19 F3 O3 S Se -","- C18 H19 F3 O3 S Se -","- C288 H304 F48 O48 S16 Se16 -","16","1","","Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis","Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.","Chemical communications (Cambridge, England)","2018","54","71","9909","9912","10.1039/c8cc05256e","","x-ray","0.71073","MoKα","","0.0959","0.0749","","0.1146","0.1001","0.1146","","","","","","0.9726","","","","has coordinates,has disorder","228276","2020-10-21","18:00:00",""
"7122092","35.871","0.007","5.8331","0.0008","19.33","0.003","90","","92.742","0.016","90","","4040","1.2","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 F3 O2 S Se -","- C22 H17 F3 O2 S Se -","- C176 H136 F24 O16 S8 Se8 -","8","1","","Ghiazza, Clément; Khrouz, Lhoussain; Monnereau, Cyrille; Billard, Thierry; Tlili, Anis","Visible-light promoted fluoroalkylselenolation: toward the reactivity of unsaturated compounds.","Chemical communications (Cambridge, England)","2018","54","71","9909","9912","10.1039/c8cc05256e","","x-ray","0.71073","MoKα","","0.1301","0.0696","","0.1892","0.1216","0.1892","","","","","","1.0115","","","","has coordinates,has disorder","228276","2020-10-21","18:00:00",""
"7122093","8.0754","0.0002","8.355","0.0003","15.6634","0.0007","99.537","0.003","98.842","0.003","98.269","0.003","1014.16","0.07","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 I N2 P -","- C16 H22 F6 I N2 P -","- C32 H44 F12 I2 N4 P2 -","2","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0404","0.0381","","0.1042","0.1015","0.1042","","","","","","0.9047","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122094","7.9723","0.0002","8.2018","0.0003","15.4695","0.0005","99.377","0.003","97.639","0.002","100.448","0.002","967.59","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 I N2 P -","- C16 H22 F6 I N2 P -","- C32 H44 F12 I2 N4 P2 -","2","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.033","0.0323","","0.084","0.0836","0.084","","","","","","1.0534","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122095","29.1018","0.0008","8.5668","0.0002","15.9883","0.0005","90","","100.803","0.003","90","","3915.39","0.19","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl I N2 O4 -","- C16 H22 Cl I N2 O4 -","- C128 H176 Cl8 I8 N16 O32 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0441","0.0348","","0.1018","0.0909","0.1016","","","","","","1.0051","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122096","8.6217","0.0006","14.9357","0.0009","6.8943","0.0004","90","","90.007","0.005","90","","887.79","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Br N -","- C8 H12 Br N -","- C32 H48 Br4 N4 -","4","0.5","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","0.71073","MoKα","","0.0592","0.0421","","0.1048","0.0884","0.1048","","","","","","0.9991","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122097","29.0149","0.0003","8.50144","0.00007","15.54176","0.00017","90","","100.798","0.001","90","","3765.79","0.07","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B Br F4 N2 -","- C16 H22 B Br F4 N2 -","- C128 H176 B8 Br8 F32 N16 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0367","0.0345","","0.1023","0.0997","0.1023","","","","","","1.0071","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122098","27.9017","0.0009","11.0678","0.0002","23.4625","0.0008","90","","126.566","0.005","90","","5819.3","0.5","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl I N2 O4 -","- C16 H22 Cl I N2 O4 -","- C192 H264 Cl12 I12 N24 O48 -","12","1.5","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.033","0.0292","","0.0805","0.0765","0.0805","","","","","","1.0316","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122099","26.7649","0.0004","10.8741","0.0001","23.3335","0.0003","90","","126.93","0.002","90","","5428.59","0.19","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br Cl N2 O4 -","- C16 H22 Br Cl N2 O4 -","- C192 H264 Br12 Cl12 N24 O48 -","12","1.5","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0255","0.025","","0.0666","0.0662","0.0666","","","","","","1.0181","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122100","28.9753","0.0005","8.47823","0.00011","15.0337","0.0003","90","","102.878","0.0019","90","","3600.27","0.11","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 B Br F4 N2 -","- C16 H22 B Br F4 N2 -","- C128 H176 B8 Br8 F32 N16 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0442","0.0431","","0.1089","0.1078","0.1089","","","","","","1.0044","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122101","28.8168","0.001","8.5588","0.0002","15.2931","0.0005","90","","102.549","0.003","90","","3681.7","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br Cl N2 O4 -","- C16 H22 Br Cl N2 O4 -","- C128 H176 Br8 Cl8 N16 O32 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.5418","CuKα","","0.0567","0.053","","0.1504","0.1443","0.1503","","","","","","0.9978","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122102","7.9058","0.0003","8.2573","0.0003","15.1037","0.0006","98.632","0.003","98.087","0.003","100.308","0.003","944.74","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br F6 N2 P -","- C16 H22 Br F6 N2 P -","- C32 H44 Br2 F12 N4 P2 -","2","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0283","0.0279","","0.0747","0.0744","0.0747","","","","","","1.0387","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122103","27.3108","0.0005","11.0568","0.0001","23.5758","0.0004","90","","127.217","0.003","90","","5669.4","0.3","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br Cl N2 O4 -","- C16 H22 Br Cl N2 O4 -","- C192 H264 Br12 Cl12 N24 O48 -","12","1.5","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0372","0.0341","","0.0941","0.0904","0.0941","","","","","","0.999","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122104","27.2651","0.0014","10.9468","0.0003","23.2069","0.0012","90","","126.137","0.008","90","","5593.9","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl I N2 O4 -","- C16 H22 Cl I N2 O4 -","- C192 H264 Cl12 I12 N24 O48 -","12","1.5","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0395","0.0377","","0.1083","0.1057","0.1082","","","","","","0.9847","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122105","8.0237","0.0002","8.3951","0.0002","15.2556","0.0004","99.42","0.002","98.926","0.002","97.07","0.002","989.79","0.04","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Br F6 N2 P -","- C16 H22 Br F6 N2 P -","- C32 H44 Br2 F12 N4 P2 -","2","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0412","0.0383","","0.1062","0.1029","0.1062","","","","","","0.8915","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122106","28.8059","0.0014","8.5296","0.0003","15.8383","0.0007","90","","99.565","0.004","90","","3837.4","0.3","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br Cl N2 O4 -","- C16 H22 Br Cl N2 O4 -","- C128 H176 Br8 Cl8 N16 O32 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.5418","CuKα","","0.0517","0.0456","","0.1369","0.1257","0.1367","","","","","","0.9997","","","","has coordinates,has disorder","228019","2020-10-21","18:00:00",""
"7122107","29.0825","0.0006","8.5757","0.0002","15.4139","0.0003","90","","102.602","0.002","90","","3751.66","0.14","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cl I N2 O4 -","- C16 H22 Cl I N2 O4 -","- C128 H176 Cl8 I8 N16 O32 -","8","1","","Morgan, Lewis C. F.; Kim, Yejin; Blandy, Jack N.; Murray, Claire A.; Christensen, Kirsten E.; Thompson, Amber L.","Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)<sub>2</sub>X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF<sub>6</sub>, ClO<sub>4</sub> & BF<sub>4</sub>).","Chemical communications (Cambridge, England)","2018","54","70","9849","9852","10.1039/c8cc05430d","","","1.54184","CuKα","","0.0396","0.0354","","0.1036","0.0991","0.1035","","","","","","1.0089","","","","has coordinates","228019","2020-10-21","18:00:00",""
"7122108","8.3653","0.0002","35.4662","0.0005","10.0227","0.0002","90","","93.23","0.002","90","","2968.86","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H62 O8 P4 Pd2 -","- C48 H62 O8 P4 Pd2 -","- C96 H124 O16 P8 Pd4 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0446","0.0343","","","0.0721","0.0757","","","","","","1.024","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122109","9.8492","0.0003","13.6242","0.0003","20.1945","0.0005","90","","90","","90","","2709.85","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 P2 Pd -","- C25 H32 O5 P2 Pd -","- C100 H128 O20 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0327","0.026","","","0.0525","0.0552","","","","","","1.079","","","","has coordinates,has disorder","228414","2020-10-21","18:00:00",""
"7122110","9.8856","0.0002","15.3472","0.0004","20.4744","0.0005","90","","90","","90","","3106.3","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O4 P2 Pd -","- C29 H38 O4 P2 Pd -","- C116 H152 O16 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0476","0.0335","","","0.068","0.0739","","","","","","1.097","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122111","10.08802","0.00015","12.8237","0.0002","11.49841","0.00014","90","","94.1533","0.0013","90","","1483.59","0.04","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O4 P2 Pd -","- C27 H33 Br O4 P2 Pd -","- C54 H66 Br2 O8 P4 Pd2 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0371","0.0315","","","0.0784","0.0818","","","","","","1.024","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122112","8.2891","0.0001","10.4836","0.0001","17.2528","0.0002","77.456","0.001","86.077","0.001","84.648","0.001","1455.3","0.03","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C27 H33 Cl O4 P2 Pd -","- C27 H33 Cl O4 P2 Pd -","- C54 H66 Cl2 O8 P4 Pd2 -","2","2","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0333","0.0273","","","0.0619","0.0655","","","","","","1.046","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122113","9.9564","0.0003","12.8239","0.0005","11.6231","0.0004","90","","93.421","0.003","90","","1481.39","0.09","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 O4 P2 Pd S -","- C27 H34 O4 P2 Pd S -","- C54 H68 O8 P4 Pd2 S2 -","2","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0386","0.031","","","0.0637","0.0673","","","","","","1.064","","","","has coordinates,has disorder","228414","2020-10-21","18:00:00",""
"7122114","8.18015","0.00016","10.09118","0.00009","45.8101","0.0004","90","","90","","90","","3781.5","0.09","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H47 N O6 P2 Pd -","- C34 H47 N O6 P2 Pd -","- C136 H188 N4 O24 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.0983","0.109","","","","","","1.118","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122115","16.0483","0.0001","41.2069","0.0004","22.6837","0.0002","90","","101.452","0.001","90","","14702.1","0.2","293","","293","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C74 H76 O8 P4 Pd2 -","- C74 H76 O8 P4 Pd2 -","- C592 H608 O64 P32 Pd16 -","8","2","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","1.54184","CuKα","","0.1003","0.0902","","","0.2205","0.2362","","","","","","1.105","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122116","7.0818","0.0002","34.0727","0.0011","8.0223","0.0015","90","","105.239","0.002","90","","1867.7","0.4","163","2","163","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","(1R,3aS,9aS)-1-Azido-2-((tert-butyldimethylsilyl)oxy)-1,3a,4,9a-tetrahydro-5H-cyclopenta[e]pyrrolo[1,2-a]pyrazin-5-one","","- C32 H46 Br2 N4 O4 Si2 -","- C32 H46 Br2 N4 O4 Si2 -","- C64 H92 Br4 N8 O8 Si4 -","2","1","","Tsuchimochi, Izuru; Kitamura, Yuta; Aoyama, Hiroshi; Akai, Shuji; Nakai, Keiyo; Yoshimitsu, Takehiko","Total synthesis of (-)-agelastatin A: an S<sub>H</sub>2' radical azidation strategy.","Chemical communications (Cambridge, England)","2018","54","71","9893","9896","10.1039/c8cc05697h","","x-ray","1.54178","CuKα","","0.1839","0.0987","","","0.2276","0.3234","","","","","","1.091","","","","has coordinates","228272","2020-10-21","18:00:00",""
"7122117","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H18 Mg3 N4 O19 -","- C44.01 H18 Mg3 N3.99 O19 -","- C88.02 H36 Mg6 N7.98 O38 -","2","0.0833333","","Li, Yong-Peng; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","A semiconductor and fluorescence dual-mode room-temperature ammonia sensor achieved by decorating hydroquinone into a metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","70","9789","9792","10.1039/c8cc05459b","","","0.71073","MoKα","","0.0586","0.0438","","","0.1099","0.1147","","","","","","1.053","","","","has coordinates","228017","2020-10-21","18:00:00",""
"7122118","42.0464","0.0014","9.0171","0.0003","29.4652","0.0011","90","","124.455","0.0011","90","","9211.5","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38.25 H47.5 Cl1.5 Co F7.5 N5 O10 S3 -","- C38.25 H47.5 Cl1.5 Co F7.5 N5 O10 S3 -","- C306 H380 Cl12 Co8 F60 N40 O80 S24 -","8","1","","Call, Arnau; Lloret-Fillol, Julio","Enhancement and control of the selectivity in light-driven ketone versus water reduction using aminopyridine cobalt complexes.","Chemical communications (Cambridge, England)","2018","54","69","9643","9646","10.1039/c8cc04239j","","","0.71073","MoKα","","0.0892","0.0602","","","0.1497","0.1669","","","","","","1.069","","","","has coordinates,has disorder","228211","2020-10-21","18:00:00",""
"7122119","10.71416","0.00015","18.5823","0.0003","14.07156","0.00018","90","","95.4564","0.0012","90","","2788.87","0.07","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H30.89 B Br0.11 -","- C39 H30.8915 B Br0.1085 -","- C156 H123.566 B4 Br0.434 -","4","1","","Kahan, R. J.; Crossley, D. L.; Cid, J.; Radcliffe, J. E.; Woodward, A. W.; Fasano, V.; Endres, S.; Whitehead, G. F. S.; Ingleson, M. J.","Generation of a series of B<sub>n</sub> fused oligo-naphthalenes (n = 1 to 3) from a B<sub>1</sub>-polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2018","54","68","9490","9493","10.1039/c8cc04701d","","x-ray","1.54184","CuKα","","0.0619","0.0599","","","0.1453","0.1464","","","","","","1.169","","","","has coordinates,has disorder","228510","2020-10-21","18:00:00",""
"7122120","17.545","0.0017","12.6207","0.0012","22.2518","0.0014","90","","94.451","0.009","90","","4912.4","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H45.87 B2 Br0.13 -","- C58 H45.871 B2 Br0.129 -","- C232 H183.484 B8 Br0.516 -","4","1","","Kahan, R. J.; Crossley, D. L.; Cid, J.; Radcliffe, J. E.; Woodward, A. W.; Fasano, V.; Endres, S.; Whitehead, G. F. S.; Ingleson, M. J.","Generation of a series of B<sub>n</sub> fused oligo-naphthalenes (n = 1 to 3) from a B<sub>1</sub>-polycyclic aromatic hydrocarbon.","Chemical communications (Cambridge, England)","2018","54","68","9490","9493","10.1039/c8cc04701d","","x-ray","1.54184","CuKα","","0.1672","0.0816","","","0.2117","0.2687","","","","","","0.946","","","","has coordinates,has disorder","228510","2020-10-21","18:00:00",""
"7122121","11.425","0.0002","15.9927","0.0003","11.939","0.0002","90","","105.051","0.001","90","","2106.62","0.07","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N3 O2 Pt S -","- C20 H18 Cl2 N3 O2 Pt S -","- C80 H72 Cl8 N12 O8 Pt4 S4 -","4","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.1098","0.1004","","","0.2294","0.2354","","","","","","1.08","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122122","8.5196","0.0001","9.9538","0.0002","10.8961","0.0002","95.033","0.001","90.166","0.001","98.338","0.001","910.61","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl2 N2 O3 Pt S -","- C17 H14 Cl2 N2 O3 Pt S -","- C34 H28 Cl4 N4 O6 Pt2 S2 -","2","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0544","0.0503","","","0.1256","0.1279","","","","","","1.099","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122123","8.594","0.0001","11.5135","0.0002","21.0202","0.0003","90","","108.188","0.001","90","","1975.97","0.05","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 I N2 O3 Pt S -","- C17 H13 Cl2 I N2 O3 Pt S -","- C68 H52 Cl8 I4 N8 O12 Pt4 S4 -","4","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0704","0.0512","","","0.1536","0.1658","","","","","","1.044","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122124","23.8724","0.0005","7.916","0.0002","23.4616","0.0005","90","","106.984","0.001","90","","4240.26","0.17","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Br Cl2 N2 O4 Pt S -","- C18 H17 Br Cl2 N2 O4 Pt S -","- C144 H136 Br8 Cl16 N16 O32 Pt8 S8 -","8","1","","Qin, Qi-Pin; Zou, Bi-Qun; Hu, Fei-Long; Huang, Guo-Bao; Wang, Shu-Long; Gu, Yun-Qiong; Tan, Ming-Xiong","Platinum(ii) complexes with rutaecarpine and tryptanthrin derivatives induce apoptosis by inhibiting telomerase activity and disrupting mitochondrial function.","MedChemComm","2018","9","10","1639","1648","10.1039/c8md00247a","","","0.71073","MoKα","","0.0484","0.0337","","","0.0785","0.0838","","","","","","1.07","","","","has coordinates","230129","2020-10-21","18:00:00",""
"7122125","19.508","0.002","8.2786","0.001","17.511","0.002","90","","106.363","0.003","90","","2713.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F3 N3 O5 S3 -","- C25 H26 F3 N3 O5 S3 -","- C100 H104 F12 N12 O20 S12 -","4","1","","Shinde, Sopan Valiba; Talukdar, Pinaki","An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.","Chemical communications (Cambridge, England)","2018","54","73","10351","10354","10.1039/c8cc04044c","","","0.71073","MoKα","","0.0652","0.0407","","","0.1164","0.1387","","","","","","0.905","","","","has coordinates","228051","2020-10-21","18:00:00",""
"7122126","7.567","0.002","12.628","0.004","12.89","0.004","106.657","0.006","91.327","0.007","92.275","0.007","1178.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N4 O6 S2 -","- C23 H22 N4 O6 S2 -","- C46 H44 N8 O12 S4 -","2","1","","Shinde, Sopan Valiba; Talukdar, Pinaki","An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.","Chemical communications (Cambridge, England)","2018","54","73","10351","10354","10.1039/c8cc04044c","","","0.71073","MoKα","","0.085","0.0554","","","0.1405","0.1611","","","","","","0.98","","","","has coordinates","228051","2020-10-21","18:00:00",""
"7122127","20.234","0.004","13.246","0.002","30.365","0.006","90","","101.943","0.005","90","","7962","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H52 Cl F3 N4 O4.5 S -","- C38 H52 Cl F3 N4 O4.5 S -","- C304 H416 Cl8 F24 N32 O36 S8 -","8","1","","Shinde, Sopan Valiba; Talukdar, Pinaki","An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.","Chemical communications (Cambridge, England)","2018","54","73","10351","10354","10.1039/c8cc04044c","","","0.71073","MoKα","","0.126","0.0888","","","0.2478","0.283","","","","","","1.031","","","","has coordinates","228051","2020-10-21","18:00:00",""
"7122128","13.9095","0.0016","15.4386","0.0011","21.897","0.003","80.979","0.007","87.169","0.009","80.361","0.008","4577.2","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H135 K O20 Si5 Sm2 -","- C60 H135 K O20 Si5 Sm2 -","- C120 H270 K2 O40 Si10 Sm4 -","2","1","","Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella","A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.","Chemical communications (Cambridge, England)","2018","54","73","10268","10271","10.1039/c8cc04169e","","","0.71073","MoKα","","0.1268","0.0692","","","0.1303","0.1542","","","","","","1.015","","","","has coordinates","228047","2020-10-21","18:00:00",""
"7122129","13.49276","0.00016","13.49276","0.00016","73.6861","0.0007","90","","90","","120","","11617.6","0.2","90","0.3","90","0.3","","","","","","","","5","P 61","P 61","169","","","","- C56 H128 O20 Si4 Sm2 -","- C56 H128 O20 Si4 Sm2 -","- C336 H768 O120 Si24 Sm12 -","6","1","","Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella","A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.","Chemical communications (Cambridge, England)","2018","54","73","10268","10271","10.1039/c8cc04169e","","x-ray","1.54184","CuKα","","0.085","0.0819","","","0.1848","0.187","","","","","","1.171","","","","has coordinates","228047","2020-10-21","18:00:00",""
"7122130","13.2055","0.0006","13.2859","0.0006","19.3107","0.001","81.584","0.004","73.829","0.004","65.648","0.004","2962.5","0.3","140","0.1","140","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H170 O24 Si6 Sm4 -","- C79 H170 O24 Si6 Sm4 -","- C79 H170 O24 Si6 Sm4 -","1","0.5","","Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella","A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.","Chemical communications (Cambridge, England)","2018","54","73","10268","10271","10.1039/c8cc04169e","","x-ray","1.54184","CuKα","","0.0594","0.0536","","","0.1396","0.1455","","","","","","1.028","","","","has coordinates,has disorder","228047","2020-10-21","18:00:00",""
"7122131","13.3255","0.0008","13.457","0.0008","19.2064","0.0012","80.512","0.005","72.563","0.006","64.969","0.006","2974.4","0.4","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C79 H169 K2 O24 Si6 Sm2 -","- C79 H169 K2 O24 Si6 Sm2 -","- C79 H169 K2 O24 Si6 Sm2 -","1","0.5","","Kelly, Rory P.; Toniolo, Davide; Tirani, Farzaneh Fadaei; Maron, Laurent; Mazzanti, Marinella","A tetranuclear samarium(ii) inverse sandwich from direct reduction of toluene by a samarium(ii) siloxide.","Chemical communications (Cambridge, England)","2018","54","73","10268","10271","10.1039/c8cc04169e","","x-ray","1.54184","CuKα","","0.1123","0.0731","","","0.1869","0.2024","","","","","","0.934","","","","has coordinates","228047","2020-10-21","18:00:00",""
"7122132","18.6124","0.0008","8.954","0.0004","15.5768","0.0007","90","","113.979","0.002","90","","2371.91","0.19","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cu Fe2 N6 -","- C54 H34 Cu Fe2 N6 -","- C108 H68 Cu2 Fe4 N12 -","2","0.5","","Patra, Bratati; Sobottka, Sebastian; Mondal, Sruti; Sarkar, Biprajit; Kar, Sanjib","Metal coordination induced ring contraction of porphyrin derivatives.","Chemical communications (Cambridge, England)","2018","54","71","9945","9948","10.1039/c8cc04670k","","","0.71073","MoKα","","0.0844","0.0438","","","0.0901","0.0996","","","","","","0.957","","","","has coordinates","228273","2020-10-21","18:00:00",""
"7122133","18.4767","0.0006","18.7775","0.0007","19.617","0.0005","99.222","0.002","104.379","0.002","117.221","0.004","5558.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H75 Ag3 Fe3 N18 -","- C129 H75 Ag3 Fe3 N18 -","- C258 H150 Ag6 Fe6 N36 -","2","1","","Patra, Bratati; Sobottka, Sebastian; Mondal, Sruti; Sarkar, Biprajit; Kar, Sanjib","Metal coordination induced ring contraction of porphyrin derivatives.","Chemical communications (Cambridge, England)","2018","54","71","9945","9948","10.1039/c8cc04670k","","x-ray","1.54184","CuKα","","0.0604","0.0533","","","0.1551","0.1585","","","","","","1.169","","","","has coordinates","228273","2020-10-21","18:00:00",""
"7122134","20.9059","0.0003","20.9059","0.0003","20.9059","0.0003","90","","90","","90","","9137.1","0.2","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 Dy N18 O10 -","- C54 H48.6667 B2.66667 Co1.33333 Dy N18 O10 -","- C324 H292 B16 Co8 Dy6 N108 O60 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0505","0.0469","","","0.1192","0.1217","","","","","","1.076","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122135","20.9135","0.0004","20.9135","0.0004","20.9135","0.0004","90","","90","","90","","9147","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 N18 O10 Tb -","- C54 H48.6667 B2.66667 Co1.33333 N18 O10 Tb -","- C324 H292 B16 Co8 N108 O60 Tb6 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0337","0.0334","","","0.081","0.0812","","","","","","1.147","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122136","20.9091","0.0004","20.9091","0.0004","20.9091","0.0004","90","","90","","90","","9141.3","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 N18 O10 Y -","- C54 H48.6667 B2.66667 Co1.33333 N18 O10 Y -","- C324 H292 B16 Co8 N108 O60 Y6 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","K-L~3~","0.0348","0.033","","","0.089","0.0901","","","","","","1.063","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122137","20.9076","0.0004","20.9076","0.0004","20.9076","0.0004","90","","90","","90","","9139.3","0.3","100","","100","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C54 H48.67 B2.67 Co1.33 Er N18 O10 -","- C54 H48.6667 B2.66667 Co1.33333 Er N18 O10 -","- C324 H292 B16 Co8 Er6 N108 O60 -","6","0.25","","Alexandropoulos, Dimitris I.; Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R.","Slow magnetic dynamics in a family of mononuclear lanthanide complexes exhibiting the rare cubic coordination geometry.","Chemical communications (Cambridge, England)","2018","54","72","10136","10139","10.1039/c8cc04565h","","synchrotron","0.41328","synchrotron","","0.0474","0.0454","","","0.1191","0.1208","","","","","","1.064","","","","has coordinates","228415","2020-10-21","18:00:00",""
"7122138","27.7738","0.0015","10.6809","0.0005","19.1423","0.0008","90","","90","","90","","5678.5","0.5","120","0.1","120","0.1","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C60 H35 Dy3 N O24 -","- C60 H35 Dy3 N O24 -","- C240 H140 Dy12 N4 O96 -","4","0.5","","Wang, Mengmeng; Meng, Xixi; Song, Fen; He, Yanfei; Shi, Wei; Gao, Hongling; Tang, Jinkui; Peng, Cheng","Reversible structural transformation induced switchable single-molecule magnet behavior in lanthanide metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","72","10183","10186","10.1039/c8cc06058d","","x-ray","0.71073","MoKα","","0.0354","0.0333","","","0.0709","0.0725","","","","","","1.04","","","","has coordinates","228416","2020-10-21","18:00:00",""
"7122139","9.4019","0.0005","13.8627","0.0006","16.5461","0.0008","85.355","0.004","76.826","0.004","72.112","0.004","1998.15","0.18","130.25","0.1","130.25","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 Dy N3 O15 -","- C37 H42 Dy N3 O15 -","- C74 H84 Dy2 N6 O30 -","2","1","","Wang, Mengmeng; Meng, Xixi; Song, Fen; He, Yanfei; Shi, Wei; Gao, Hongling; Tang, Jinkui; Peng, Cheng","Reversible structural transformation induced switchable single-molecule magnet behavior in lanthanide metal-organic frameworks.","Chemical communications (Cambridge, England)","2018","54","72","10183","10186","10.1039/c8cc06058d","","","0.71073","MoKα","","0.0417","0.0366","","","0.082","0.0866","","","","","","1.047","","","","has coordinates","228416","2020-10-21","18:00:00",""
"7122140","13.0983","0.0018","12.425","0.003","18.235","0.004","90","","95.349","0.005","90","","2954.8","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 B2 O5 -","- C30 H44 B2 O5 -","- C120 H176 B8 O20 -","4","1","","Davenport, Elliot; Fernandez, Elena","Transition-metal-free synthesis of vicinal triborated compounds and selective functionalisation of the internal C-B bond.","Chemical communications (Cambridge, England)","2018","54","72","10104","10107","10.1039/c8cc06153j","","","0.71073","MoKα","","0.1121","0.0769","","","0.1844","0.2055","","","","","","1.017","","","","has coordinates,has disorder","228409","2020-10-21","18:00:00",""
"7122141","17.796","0.003","31.098","0.004","15.1639","0.0019","90","","106.338","0.004","90","","8053","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H34 F Mn3 N O19 P2 -","- C58.992 H34 F Mn3 N O19 P2 -","- C235.968 H136 F4 Mn12 N4 O76 P8 -","4","0.5","","Reynolds, Joseph E.; Walsh, Kelly M.; Li, Bin; Kunal, Pranaw; Chen, Banglin; Humphrey, Simon M.","Highly selective room temperature acetylene sorption by an unusual triacetylenic phosphine MOF.","Chemical communications (Cambridge, England)","2018","54","71","9937","9940","10.1039/c8cc05402a","","","0.71073","MoKα","","0.1039","0.0788","","","0.2472","0.2633","","","","","","1.138","","","","has coordinates,has disorder","228279","2020-10-21","18:00:00",""
"7122142","7.7693","0.0013","12.582","0.002","15.723","0.003","90","","90","","90","","1537","0.5","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Wang, Peng-Zi; Yu, Xiao-Ye; Li, Chan-Yun; He, Bin-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","A photocatalytic iminyl radical-mediated C-C bond cleavage/addition/cyclization cascade for the synthesis of 1,2,3,4-tetrahydrophenanthrenes.","Chemical communications (Cambridge, England)","2018","54","71","9925","9928","10.1039/c8cc06145a","","","0.71073","MoKα","","0.0621","0.0463","","","0.1123","0.1223","","","","","","1.045","","","","has coordinates","228280","2020-10-21","18:00:00",""
"7122143","10.271","0.002","18.417","0.004","10.492","0.002","90","","114.416","0.003","90","","1807.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Wang, Peng-Zi; Yu, Xiao-Ye; Li, Chan-Yun; He, Bin-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","A photocatalytic iminyl radical-mediated C-C bond cleavage/addition/cyclization cascade for the synthesis of 1,2,3,4-tetrahydrophenanthrenes.","Chemical communications (Cambridge, England)","2018","54","71","9925","9928","10.1039/c8cc06145a","","","0.71073","MoKα","","0.1015","0.0561","","","0.1602","0.1898","","","","","","1.03","","","","has coordinates","228280","2020-10-21","18:00:00",""
"7122144","8.712","0.003","23.551","0.007","9.11","0.003","90","","106.515","0.005","90","","1792","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Wang, Peng-Zi; Yu, Xiao-Ye; Li, Chan-Yun; He, Bin-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","A photocatalytic iminyl radical-mediated C-C bond cleavage/addition/cyclization cascade for the synthesis of 1,2,3,4-tetrahydrophenanthrenes.","Chemical communications (Cambridge, England)","2018","54","71","9925","9928","10.1039/c8cc06145a","","","0.71073","MoKα","","0.0739","0.0493","","","0.1413","0.1614","","","","","","1.025","","","","has coordinates","228280","2020-10-21","18:00:00",""
"7122145","18.077","0.0018","49.704","0.002","12.9398","0.0007","90","","103.811","0.008","90","","11290.3","1.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H99 B6 Fe3 N21 O18 -","- C93 H99 B6 Fe3 N21 O18 -","- C372 H396 B24 Fe12 N84 O72 -","4","1","","Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay","Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.","Chemical communications (Cambridge, England)","2018","54","68","9529","9532","10.1039/c8cc04870c","","x-ray","1.54184","CuKα","","0.1799","0.0871","","","0.1704","0.2296","","","","","","0.89","","","","has coordinates,has disorder","228511","2020-10-21","18:00:00",""
"7122146","35.551","0.003","9.273","0.0006","29.6345","0.0018","90","","90","","90","","9769.4","1.2","140","0.1","140","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C75 H87 B6 Fe3 N21 O18 -","- C75 H87 B6 Fe3 N21 O18 -","- C300 H348 B24 Fe12 N84 O72 -","4","1","","Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay","Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.","Chemical communications (Cambridge, England)","2018","54","68","9529","9532","10.1039/c8cc04870c","","x-ray","1.54184","CuKα","","0.1673","0.1235","","","0.317","0.3566","","","","","","1.053","","","","has coordinates","228511","2020-10-21","18:00:00",""
"7122147","52.2358","0.0008","52.2358","0.0008","52.2358","0.0008","90","","90","","90","","142529","4","140.01","0.1","140.01","0.1","","","","","","","","7","F 4 3 2","F 4 2 3","209","","","","- C600 H696 B48 Fe24 N168 O144 Pd6 -","- C600 H696 B48 Fe24 N168 O144 Pd6 -","- C2400 H2784 B192 Fe96 N672 O576 Pd24 -","4","0.0416667","","Jansze, Suzanne M.; Ortiz, Daniel; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Menin, Laure; Severin, Kay","Inflating face-capped Pd<sub>6</sub>L<sub>8</sub> coordination cages.","Chemical communications (Cambridge, England)","2018","54","68","9529","9532","10.1039/c8cc04870c","","x-ray","1.54184","CuKα","","0.2419","0.1435","","","0.3646","0.4521","","","","","","1.337","","","","has coordinates","228511","2020-10-21","18:00:00",""
"7122148","5.6861","0.0004","7.4078","0.0005","28.14","0.002","90","","90","","90","","1185.3","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0638","0.0422","","","0.0819","0.0892","","","","","","1.036","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122149","5.7075","0.0007","7.6016","0.0007","28.125","0.003","90","","90","","90","","1220.2","0.2","310","2","310","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.148","0.0548","","","0.0909","0.1141","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122150","5.7073","0.0006","7.5909","0.0007","28.133","0.003","90","","90","","90","","1218.8","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1434","0.0529","","","0.0879","0.11","","","","","","0.999","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122151","5.8843","0.0004","7.2086","0.0005","32.936","0.002","90","","90","","90","","1397.06","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0544","0.0396","","","0.0977","0.1078","","","","","","1.052","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122152","5.9264","0.0011","7.4922","0.0018","32.946","0.007","90","","90","","90","","1462.9","0.5","400","2","400","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1132","0.0437","","","0.0922","0.1219","","","","","","1.031","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122153","5.6915","0.0005","7.4628","0.0005","28.143","0.003","90","","90","","90","","1195.36","0.18","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.078","0.0434","","","0.0802","0.09","","","","","","1.041","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122154","5.9061","0.0003","7.3412","0.0005","32.9746","0.0019","90","","90","","90","","1429.71","0.15","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.081","0.0433","","","0.1058","0.1301","","","","","","0.996","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122155","5.8987","0.0003","7.2946","0.0005","32.966","0.002","90","","90","","90","","1418.48","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.072","0.0429","","","0.0953","0.1138","","","","","","1.071","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122156","5.709","0.0007","7.6146","0.0008","28.123","0.004","90","","90","","90","","1222.6","0.3","320","2","320","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1593","0.0529","","","0.0876","0.1105","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122157","5.9146","0.0003","7.3912","0.0005","32.9799","0.0019","90","","90","","90","","1441.75","0.15","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0792","0.0418","","","0.0935","0.1156","","","","","","1.026","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122158","5.6838","0.0004","7.3834","0.0004","28.139","0.002","90","","90","","90","","1180.87","0.13","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0549","0.0404","","","0.0841","0.0892","","","","","","1.066","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122159","5.9244","0.0003","7.4427","0.0005","32.968","0.002","90","","90","","90","","1453.68","0.15","350","2","350","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0956","0.0447","","","0.1103","0.1414","","","","","","1.033","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122160","5.8912","0.0004","7.2496","0.0005","32.95","0.002","90","","90","","90","","1407.26","0.16","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0632","0.0417","","","0.0965","0.1145","","","","","","1.063","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122161","5.6883","0.0004","7.4343","0.0005","28.14","0.002","90","","90","","90","","1190","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.068","0.0431","","","0.0851","0.0933","","","","","","1.03","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122162","5.6944","0.0005","7.4936","0.0006","28.143","0.003","90","","90","","90","","1200.91","0.19","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0921","0.0474","","","0.0872","0.0996","","","","","","1.033","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122163","5.6982","0.0005","7.5247","0.0006","28.143","0.003","90","","90","","90","","1206.69","0.19","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1079","0.0496","","","0.0892","0.1041","","","","","","1.018","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122164","5.7113","0.0007","7.6398","0.0009","28.117","0.004","90","","90","","90","","1226.8","0.3","340","2","340","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1785","0.0534","","","0.0905","0.1198","","","","","","0.98","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122165","5.7113","0.0007","7.6271","0.0008","28.122","0.004","90","","90","","90","","1225","0.3","330","2","330","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1677","0.0541","","","0.0883","0.1132","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122166","5.713","0.0008","7.6527","0.0009","28.116","0.004","90","","90","","90","","1229.2","0.3","350","2","350","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.184","0.053","","","0.0866","0.1139","","","","","","0.983","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122167","5.7057","0.0005","7.5595","0.0006","28.152","0.003","90","","90","","90","","1214.26","0.19","270","2","270","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1236","0.0498","","","0.086","0.1053","","","","","","1.007","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122168","9.0255","0.0003","10.5951","0.0003","13.5639","0.0004","80.012","0.002","77.037","0.001","72.625","0.001","1198.4","0.06","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br N O7 -","- C28 H20 Br N O7 -","- C56 H40 Br2 N2 O14 -","2","1","","Yu, Jhen-Kuei; Chien, Han-Wei; Lin, Yi-Jung; Karanam, Praneeth; Chen, Yu-Heng; Lin, Wenwei","Diversity-oriented synthesis of chromenopyrrolidines from azomethine ylides and 2-hydroxybenzylidene indandiones via base-controlled regiodivergent (3+2) cycloaddition.","Chemical communications (Cambridge, England)","2018","54","71","9921","9924","10.1039/c8cc05693e","","","0.71073","MoKα","","0.047","0.0366","","","0.1112","0.1261","","","","","","1.082","","","","has coordinates","228281","2020-10-21","18:00:00",""
"7122169","9.47","0.0005","10.6706","0.0006","13.3664","0.0008","76.892","0.002","69.377","0.002","76.41","0.002","1213.24","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Br N O7 -","- C28 H20 Br N O7 -","- C56 H40 Br2 N2 O14 -","2","1","","Yu, Jhen-Kuei; Chien, Han-Wei; Lin, Yi-Jung; Karanam, Praneeth; Chen, Yu-Heng; Lin, Wenwei","Diversity-oriented synthesis of chromenopyrrolidines from azomethine ylides and 2-hydroxybenzylidene indandiones via base-controlled regiodivergent (3+2) cycloaddition.","Chemical communications (Cambridge, England)","2018","54","71","9921","9924","10.1039/c8cc05693e","","","0.71073","MoKα","","0.1228","0.0526","","","0.1158","0.15","","","","","","1.019","","","","has coordinates","228281","2020-10-21","18:00:00",""
"7122170","9.3617","0.0008","12.1176","0.001","13.2597","0.001","63.828","0.002","82.131","0.003","76.526","0.003","1311.82","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 Br N O8 -","- C29 H22 Br N O8 -","- C58 H44 Br2 N2 O16 -","2","1","","Yu, Jhen-Kuei; Chien, Han-Wei; Lin, Yi-Jung; Karanam, Praneeth; Chen, Yu-Heng; Lin, Wenwei","Diversity-oriented synthesis of chromenopyrrolidines from azomethine ylides and 2-hydroxybenzylidene indandiones via base-controlled regiodivergent (3+2) cycloaddition.","Chemical communications (Cambridge, England)","2018","54","71","9921","9924","10.1039/c8cc05693e","","","0.71073","MoKα","","0.078","0.0526","","","0.1166","0.1285","","","","","","1.024","","","","has coordinates,has disorder","228281","2020-10-21","18:00:00",""
"7122171","8.3134","0.0008","12.5189","0.0013","11.0332","0.0012","90","","107.377","0.003","90","","1095.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 -","- C12 H15 N3 -","- C48 H60 N12 -","4","1","","Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T.","Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR.","Chemical communications (Cambridge, England)","2018","54","82","11530","11533","10.1039/c8cc05845h","","","0.71073","MoKα","","0.0705","0.0446","","","0.095","0.106","","","","","","1.032","","","","has coordinates","228615","2020-10-21","18:00:00",""
"7122172","7.8633","0.0006","9.3267","0.0007","13.5742","0.001","84.166","0.004","89.184","0.004","79.543","0.004","973.9","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N4 O2 S -","- C19 H22 N4 O2 S -","- C38 H44 N8 O4 S2 -","2","1","","Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T.","Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR.","Chemical communications (Cambridge, England)","2018","54","82","11530","11533","10.1039/c8cc05845h","","","0.71073","MoKα","","0.1076","0.0858","","","0.2398","0.2778","","","","","","1.1298","","","","has coordinates","228615","2020-10-21","18:00:00",""
"7122173","34.877","0.002","9.0455","0.0006","12.9419","0.0009","90","","105.171","0.003","90","","3940.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 N4 O3 S -","- C19 H23 N4 O3 S -","- C152 H184 N32 O24 S8 -","8","1","","Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T.","Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR.","Chemical communications (Cambridge, England)","2018","54","82","11530","11533","10.1039/c8cc05845h","","","0.71073","MoKα","","0.0623","0.0502","","","0.1728","0.2088","","","","","","1.0477","","","","has coordinates","228615","2020-10-21","18:00:00",""
"7122174","29.7473","0.0008","10.1292","0.0003","18.7181","0.0005","90","","118.728","0.001","90","","4945.8","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 N4 O4 S -","- C26 H28 N4 O4 S -","- C208 H224 N32 O32 S8 -","8","1","","Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T.","Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR.","Chemical communications (Cambridge, England)","2018","54","82","11530","11533","10.1039/c8cc05845h","","","0.71073","MoKα","","0.0605","0.0515","","","0.1518","0.1621","","","","","","1.282","","","","has coordinates","228615","2020-10-21","18:00:00",""
"7122175","18.835","0.0008","8.0827","0.0003","22.8945","0.0009","90","","96.376","0.004","90","","3463.8","0.2","110.05","0.1","110.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[TRYUM-7,10][OTf]","","- C28 H31 F18 N3 O4 S -","- C28 H31 F18 N3 O4 S -","- C112 H124 F72 N12 O16 S4 -","4","1","","Riccobono, Alessio; Parker, Rachel R.; Whitwood, Adrian C.; Slattery, John M.; Bruce, Duncan W.; Pibiri, Ivana; Pace, Andrea","1,2,4-Triazolium ions as flexible scaffolds for the construction of polyphilic ionic liquid crystals.","Chemical communications (Cambridge, England)","2018","54","71","9965","9968","10.1039/c8cc04704a","","x-ray","1.54184","CuKα","","0.061","0.0485","","","0.1245","0.1359","","","","","","1.041","","","","has coordinates,has disorder","228278","2020-10-21","18:00:00",""
"7122176","8.1774","0.0006","15.6087","0.001","20.2266","0.0015","100.693","0.004","99.58","0.004","104.108","0.004","2398.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H43 Cl3 O2 -","- C63 H43 Cl3 O2 -","- C126 H86 Cl6 O4 -","2","1","","Qiu, Shuhai; Wang, Chaoqiang; Xie, Sheng; Huang, Xiaobo; Chen, Lanlan; Zhao, Yunhui; Zeng, Zebing","Toward helical-shaped diradicaloids: cyclobutenyl o-quinodimethane-bridged indeno[1,2-b]fluorenes.","Chemical communications (Cambridge, England)","2018","54","81","11383","11386","10.1039/c8cc05929b","","","1.54178","CuKα","","0.1219","0.0779","","","0.212","0.2467","","","","","","0.98","","","","has coordinates","228111","2020-10-21","18:00:00",""
"7122177","18.9589","0.0005","17.5568","0.0004","20.8566","0.0005","90","","90","","90","","6942.3","0.3","170","2","170","","","","","","","","","3","P b c n","-P 2n 2ab","60","","DIF","","- C80 H64 O -","- C80 H64 O -","- C320 H256 O4 -","4","0.5","","Qiu, Shuhai; Wang, Chaoqiang; Xie, Sheng; Huang, Xiaobo; Chen, Lanlan; Zhao, Yunhui; Zeng, Zebing","Toward helical-shaped diradicaloids: cyclobutenyl o-quinodimethane-bridged indeno[1,2-b]fluorenes.","Chemical communications (Cambridge, England)","2018","54","81","11383","11386","10.1039/c8cc05929b","","","1.34139","GaKα","","0.0673","0.0565","","","0.1496","0.1562","","","","","","1.056","","","","has coordinates","228111","2020-10-21","18:00:00",""
"7122178","12.7002","0.0004","16.2234","0.0006","16.3308","0.0006","116.444","0.001","98.064","0.001","105.765","0.001","2762.93","0.17","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H42 O2 -","- C62 H42 O2 -","- C124 H84 O4 -","2","1","","Qiu, Shuhai; Wang, Chaoqiang; Xie, Sheng; Huang, Xiaobo; Chen, Lanlan; Zhao, Yunhui; Zeng, Zebing","Toward helical-shaped diradicaloids: cyclobutenyl o-quinodimethane-bridged indeno[1,2-b]fluorenes.","Chemical communications (Cambridge, England)","2018","54","81","11383","11386","10.1039/c8cc05929b","","","0.71073","MoKα","","0.1189","0.0811","","","0.2329","0.2639","","","","","","1.046","","","","has coordinates","228111","2020-10-21","18:00:00",""
"7122179","7.508","0.015","12.35","0.02","14.7","0.03","90","","91.4","0.08","90","","1363","4","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 F O2 -","- C19 H13 F O2 -","- C76 H52 F4 O8 -","4","1","","Li, Ting; Wang, Huiyan; Qian, Pengcheng; Yang, Yuhan; Li, Bo; Zhang, Liming","Au(i)-Catalyzed expeditious access to naphtho[2,3-c]furan-1(3-H)-ones from readily available propargylic ynoates.","Chemical communications (Cambridge, England)","2018","54","74","10447","10450","10.1039/c8cc06056h","","","0.71073","MoKα","","0.0811","0.0573","","","0.16","0.1753","","","","","","1.034","","","","has coordinates","228201","2020-10-21","18:00:00",""
"7122180","13.8322","0.0011","16.2467","0.0013","13.1611","0.001","90","","106.058","0.0009","90","","2842.3","0.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H46 Cl3 La N2 O7 -","- C22 H36 Cl3 La N2 O7 -","- C88 H144 Cl12 La4 N8 O28 -","4","0.5","","Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.","Synthesis of uranium-in-cryptand complexes.","Chemical communications (Cambridge, England)","2018","54","73","10272","10275","10.1039/c8cc05341c","","","0.71073","MoKα","","0.0232","0.021","","","0.0541","0.0554","","","","","","1.069","","","","has coordinates,has disorder","228050","2020-10-21","18:00:00",""
"7122181","11.485","0.002","26.766","0.005","12.275","0.002","90","","101.244","0.002","90","","3701","1.1","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H42 Cl6 I3 N2 O6 U -","- C21 H42 Cl6 I3 N2 O6 U -","- C84 H168 Cl24 I12 N8 O24 U4 -","4","1","","Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.","Synthesis of uranium-in-cryptand complexes.","Chemical communications (Cambridge, England)","2018","54","73","10272","10275","10.1039/c8cc05341c","","","0.71073","MoKα","","0.0265","0.0225","","","0.0483","0.0497","","","","","","1.059","","","","has coordinates","228050","2020-10-21","18:00:00",""
"7122182","10.8943","0.0011","19.313","0.002","13.3229","0.0014","90","","96.0099","0.0013","90","","2787.8","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 I3 N2 O7 U -","- C18 H38 I3 N2 O7 U -","- C72 H152 I12 N8 O28 U4 -","4","1","","Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.","Synthesis of uranium-in-cryptand complexes.","Chemical communications (Cambridge, England)","2018","54","73","10272","10275","10.1039/c8cc05341c","","","0.71073","MoKα","","0.0523","0.0474","","","0.1077","0.1096","","","","","","1.257","","","","has coordinates","228050","2020-10-21","18:00:00",""
"7122183","20.142","0.003","9.6317","0.0016","26.979","0.005","90","","107.307","0.002","90","","4997","1.5","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H61 B I2 N3 O7 U -","- C44 H61 B I2 N3 O7 U -","- C176 H244 B4 I8 N12 O28 U4 -","4","1","","Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.","Synthesis of uranium-in-cryptand complexes.","Chemical communications (Cambridge, England)","2018","54","73","10272","10275","10.1039/c8cc05341c","","","0.71073","MoKα","","0.0528","0.0346","","","0.0709","0.0766","","","","","","1.019","","","","has coordinates","228050","2020-10-21","18:00:00",""
"7122184","22.8586","0.0015","5.0654","0.0004","13.05","0.0008","90","","98.008","0.006","90","","1496.3","0.18","150.03","0.1","150.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C72 H72 N8 O4 -","2","0.5","","Huang, Huan-Ming; Adams, Ralph W.; Procter, David J.","Reductive cyclisations of amidines involving aminal radicals.","Chemical communications (Cambridge, England)","2018","54","72","10160","10163","10.1039/c8cc05178j","","x-ray","0.71073","MoKα","","0.1108","0.0628","","","0.1307","0.154","","","","","","1.023","","","","has coordinates","228407","2020-10-21","18:00:00",""
"7122185","11.001","0.0011","6.9737","0.0007","20.129","0.002","90","","93.637","0.009","90","","1541.1","0.3","149.9","0.5","149.9","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Huang, Huan-Ming; Adams, Ralph W.; Procter, David J.","Reductive cyclisations of amidines involving aminal radicals.","Chemical communications (Cambridge, England)","2018","54","72","10160","10163","10.1039/c8cc05178j","","x-ray","0.71073","MoKα","","0.0891","0.0577","","","0.1147","0.1287","","","","","","1.055","","","","has coordinates","228407","2020-10-21","18:00:00",""
"7122186","41.133","0.003","13.3359","0.0014","11.1564","0.0008","90","","90","","90","","6119.8","0.9","149.9","0.4","149.9","0.4","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C152 H160 N16 O8 -","8","1","","Huang, Huan-Ming; Adams, Ralph W.; Procter, David J.","Reductive cyclisations of amidines involving aminal radicals.","Chemical communications (Cambridge, England)","2018","54","72","10160","10163","10.1039/c8cc05178j","","x-ray","0.71073","MoKα","","0.1087","0.0785","","","0.1996","0.2542","","","","","","1.01","","","","has coordinates","228407","2020-10-21","18:00:00",""
"7122187","16.42491","0.00019","18.47453","0.00019","20.7026","0.0003","90","","108.584","0.0014","90","","5954.49","0.14","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C150 H132 O18 -","- C150 H132 O18 -","- C300 H264 O36 -","2","1","","Zhao, Peng; Wu, Simeng; Ke, Chaoqi; Liu, Xiaohua; Feng, Xiaoming","Chiral Lewis acid-catalyzed enantioselective cyclopropanation and C-H insertion reactions of vinyl ketones with α-diazoesters.","Chemical communications (Cambridge, England)","2018","54","70","9837","9840","10.1039/c8cc05420g","","x-ray","1.54184","CuKα","","0.0629","0.0524","","","0.1333","0.1437","","","","","","1.024","","","","has coordinates","228018","2020-10-21","18:00:00",""
"7122188","9.7057","0.0002","10.031","0.0003","14.8723","0.0004","90","","97.782","0.003","90","","1434.6","0.07","299.1","0.3","299.1","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C64 H60 N4 O8 S2 -","2","1","","Zhao, Peng; Wu, Simeng; Ke, Chaoqi; Liu, Xiaohua; Feng, Xiaoming","Chiral Lewis acid-catalyzed enantioselective cyclopropanation and C-H insertion reactions of vinyl ketones with α-diazoesters.","Chemical communications (Cambridge, England)","2018","54","70","9837","9840","10.1039/c8cc05420g","","x-ray","1.54184","CuKα","","0.0598","0.0557","","","0.1466","0.1516","","","","","","1.054","","","","has coordinates","228018","2020-10-21","18:00:00",""
"7122189","47.5183","0.0006","47.5183","","25.9584","0.0002","90","","90","","120","","50761","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C63 H101 N Na2 O64 S8 Y2 -","- C63 H69 N Na2.00333 O63.97 S8 Y2 -","- C1134 H1242 N18 Na36.06 O1151.46 S144 Y36 -","18","1","","Ling, Irene; Kumari, Harshita; Mirzamani, Marzieh; Sobolev, Alexandre N.; Garvey, Christopher J.; Atwood, Jerry L.; Raston, Colin L.","Phase dependent structural perturbation of a robust multicomponent assembled icosahedral array.","Chemical communications (Cambridge, England)","2018","54","77","10824","10827","10.1039/c8cc05650a","","","1.54178","CuKα","","0.107","0.0979","","","0.2801","0.29","","","","","","1.319","","","","has coordinates,has disorder","228073","2020-10-21","18:00:00",""
"7122190","12.1783","0.0005","13.4788","0.0006","27.6293","0.0011","89.078","0.001","80.089","0.001","88.413","0.001","4465.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H106 Na2 O65 S8 Y2 -","- C56 H105 Na2 O65 S8 Y2 -","- C112 H210 Na4 O130 S16 Y4 -","2","1","","Ling, Irene; Kumari, Harshita; Mirzamani, Marzieh; Sobolev, Alexandre N.; Garvey, Christopher J.; Atwood, Jerry L.; Raston, Colin L.","Phase dependent structural perturbation of a robust multicomponent assembled icosahedral array.","Chemical communications (Cambridge, England)","2018","54","77","10824","10827","10.1039/c8cc05650a","","","1.54178","CuKα","","0.0691","0.0682","","","0.1559","0.1567","","","","","","1.179","","","","has coordinates,has disorder","228073","2020-10-21","18:00:00",""
"7122191","7.4041","0.001","10.4454","0.0011","12.3566","0.0016","76.494","0.01","89.313","0.009","71.795","0.007","880.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H24 Cl5 N4 Np O2 -","- C8 H24 Cl5 N4 Np O2 -","- C16 H48 Cl10 N8 Np2 O4 -","2","1","","Payne, Maurice K.; Pyrch, Mikaela; Jubinsky, Matthew; Basile, Madeline; Forbes, Tori","Impacts of oxo interactions within actinyl metal organic materials: Highlight on thermal expansion behaviour","Chemical Communications","2018","","","","","10.1039/C8CC05240A","","","0.71073","MoKα","","0.0103","0.0102","","","0.0247","0.025","","","","","","1.324","","","","has coordinates","209889","2020-10-21","18:00:00",""
"7122192","8.2246","0.0008","9.7709","0.0008","4.538","0.0004","90","","90","","90","","364.68","0.06","100","2","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C4 H6 N Np O6 -","- C4 H6 N Np O6 -","- C8 H12 N2 Np2 O12 -","2","","","Payne, Maurice K.; Pyrch, Mikaela; Jubinsky, Matthew; Basile, Madeline; Forbes, Tori","Impacts of oxo interactions within actinyl metal organic materials: Highlight on thermal expansion behaviour","Chemical Communications","2018","","","","","10.1039/C8CC05240A","","","0.71073","MoKα","","0.0193","0.0187","","","0.0466","0.0468","","","","","","1.297","","","","has coordinates","209889","2020-10-21","18:00:00",""
"7122193","26.6207","0.0009","20.7575","0.0008","17.7843","0.0007","90","","90.493","0.001","90","","9826.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C89 H136 N2 O26 Ti6 -","- C89 H28 N2 O26 Ti6 -","- C356 H112 N8 O104 Ti24 -","4","1","","Zou, Dan-Hong; Cui, Li-Na; Liu, Pei-Yi; Yang, Shen; Zhu, Qin-Yu; Dai, Jie","Triphenylamine derived titanium oxo clusters: an approach to effective organic-inorganic hybrid dyes for photoactive electrodes.","Chemical communications (Cambridge, England)","2018","54","71","9933","9936","10.1039/c8cc05441j","","","0.71073","MoKα","","0.1371","0.0875","","","0.1681","0.1892","","","","","","1.057","","","","has coordinates,has disorder","228277","2020-10-21","18:00:00",""
"7122194","26.227","0.005","25.66","0.005","29.043","0.014","90","","105.67","0.03","90","","18819","11","120","2","120","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C70 H128 N2 O25 Ti6 -","- C70 N2 O25 Ti6 -","- C560 N16 O200 Ti48 -","8","1","","Zou, Dan-Hong; Cui, Li-Na; Liu, Pei-Yi; Yang, Shen; Zhu, Qin-Yu; Dai, Jie","Triphenylamine derived titanium oxo clusters: an approach to effective organic-inorganic hybrid dyes for photoactive electrodes.","Chemical communications (Cambridge, England)","2018","54","71","9933","9936","10.1039/c8cc05441j","","","0.71073","MoKα","","0.156","0.1005","","","0.1631","0.1861","","","","","","1.18","","","","has coordinates","228277","2020-10-21","18:00:00",""
"7122195","15.5612","0.0011","15.6396","0.0011","21.2233","0.0015","90","","95.892","0.004","90","","5137.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H122 N2 O30 Ti6 -","- C96 H36 N2 O30 Ti6 -","- C192 H72 N4 O60 Ti12 -","2","0.5","","Zou, Dan-Hong; Cui, Li-Na; Liu, Pei-Yi; Yang, Shen; Zhu, Qin-Yu; Dai, Jie","Triphenylamine derived titanium oxo clusters: an approach to effective organic-inorganic hybrid dyes for photoactive electrodes.","Chemical communications (Cambridge, England)","2018","54","71","9933","9936","10.1039/c8cc05441j","","","0.71073","MoKα","","0.1364","0.0732","","","0.143","0.1663","","","","","","1.035","","","","has coordinates,has disorder","228277","2020-10-21","18:00:00",""
"7122196","11.43","0.002","5.4511","0.0011","15.427","0.003","90","","98.6","0.03","90","","950.4","0.3","153","2","153.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Cl2 N8 O14 -","- C12 H2 Cl2 N8 O14 -","- C24 H4 Cl4 N16 O28 -","2","0.5","","Yang, Xiaoming; Lin, Xinyu; Yang, Li; Zhang, Tonglai","A novel method to synthesize stable nitrogen-rich polynitrobenzenes with π-stacking for high-energy-density energetic materials.","Chemical communications (Cambridge, England)","2018","54","73","10296","10299","10.1039/c8cc05413d","","","0.71073","MoKα","","0.11","0.0978","","","0.2058","0.2146","","","","","","1.197","","","","has coordinates","228043","2020-10-21","18:00:00",""
"7122197","9.3869","0.0019","15.742","0.003","25.114","0.005","90","","90","","90","","3711.1","1.3","153","2","153.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 N18 O8 -","- C12 N18 O8 -","- C96 N144 O64 -","8","1","","Yang, Xiaoming; Lin, Xinyu; Yang, Li; Zhang, Tonglai","A novel method to synthesize stable nitrogen-rich polynitrobenzenes with π-stacking for high-energy-density energetic materials.","Chemical communications (Cambridge, England)","2018","54","73","10296","10299","10.1039/c8cc05413d","","","0.71073","MoKα","","0.1278","0.1082","","","0.1811","0.1893","","","","","","1.284","","","","has coordinates","228043","2020-10-21","18:00:00",""
"7122198","8.2183","0.0005","12.5178","0.0007","28.0079","0.0016","90","","90","","90","","2881.3","0.3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Cl3 O5 Si -","- C25 H35 Cl3 O5 Si -","- C100 H140 Cl12 O20 Si4 -","4","1","","Kobayashi, Toyoharu; Tanaka, Konomi; Ishida, Masako; Yamakita, Natsumi; Abe, Hideki; Ito, Hisanaka","Asymmetric total synthesis of pleurospiroketals A and B.","Chemical communications (Cambridge, England)","2018","54","73","10316","10319","10.1039/c8cc06185h","","","0.71073","MoKα","","0.0335","0.0298","","","0.0613","0.0634","","","","","","1.029","","","","has coordinates","228046","2020-10-21","18:00:00",""
"7122199","9.883","0.004","10.008","0.004","15.166","0.006","90","","90","","90","","1500.1","1","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kobayashi, Toyoharu; Tanaka, Konomi; Ishida, Masako; Yamakita, Natsumi; Abe, Hideki; Ito, Hisanaka","Asymmetric total synthesis of pleurospiroketals A and B.","Chemical communications (Cambridge, England)","2018","54","73","10316","10319","10.1039/c8cc06185h","","","0.71073","MoKα","","0.0452","0.0417","","","0.1062","0.1089","","","","","","1.027","","","","has coordinates","228046","2020-10-21","18:00:00",""
"7122200","11.1132","0.0004","15.6569","0.0006","28.295","0.0012","90","","90","","90","","4923.3","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","GDR-NiH(t-Bu)2","","","- C21 H41 N3 Ni P2 -","- C21 H41 N3 Ni P2 -","- C168 H328 N24 Ni8 P16 -","8","1","","Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2018","54","81","11395","11398","10.1039/c8cc05948a","","","0.71073","MoKα","","0.0508","0.0391","","","0.0982","0.1055","","","","","","1.049","","","","has coordinates","228109","2020-10-21","18:00:00",""
"7122201","20.386","0.004","20.386","0.004","24.639","0.005","90","","90","","90","","10240","4","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C25 H41 N3 Ni P2 -","- C25 H41 N3 Ni P2 -","- C400 H656 N48 Ni16 P32 -","16","1","","Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2018","54","81","11395","11398","10.1039/c8cc05948a","","","0.71073","MoKα","","0.025","0.0224","","","0.0592","0.0606","","","","","","1.062","","","","has coordinates","228109","2020-10-21","18:00:00",""
"7122202","21.7707","0.0014","8.2148","0.0005","14.0657","0.0009","90","","90","","90","","2515.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H43 N3 Ni P2 -","- C22 H43 N3 Ni P2 -","- C88 H172 N12 Ni4 P8 -","4","1","","Li, Huaifeng; Gonçalves, Théo P; Zhao, Qianyi; Gong, Dirong; Lai, Zhiping; Wang, Zhixiang; Zheng, Junrong; Huang, Kuo-Wei","Diverse catalytic reactivity of a dearomatized PN<sup>3</sup>P*-nickel hydride pincer complex towards CO<sub>2</sub> reduction.","Chemical communications (Cambridge, England)","2018","54","81","11395","11398","10.1039/c8cc05948a","","","1.54178","CuKα","","0.043","0.0403","","","0.0962","0.1106","","","","","","1.007","","","","has coordinates","228109","2020-10-21","18:00:00",""
"7122203","8.9283","0.0004","13.9637","0.0006","18.7435","0.0008","90","","101.484","0.001","90","","2290.01","0.17","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H56 N10 O14 S2 -","- C40 H56 N10 O14 S2 -","- C80 H112 N20 O28 S4 -","2","1","","Williams, Neil J.; Seipp, Charles A.; Garrabrant, Kathleen A.; Custelcean, Radu; Holguin, Erick; Keum, Jong K.; Ellis, Ross J.; Moyer, Bruce A.","Surprisingly selective sulfate extraction by a simple monofunctional di(imino)guanidinium micelle-forming anion receptor.","Chemical communications (Cambridge, England)","2018","54","72","10048","10051","10.1039/c8cc05115a","","","0.71073","MoKα","","0.0526","0.0474","","","0.1132","0.1182","","","","","","1.041","","","","has coordinates","228411","2020-10-21","18:00:00",""
"7122204","41.9547","0.001","18.5701","0.0003","44.422","0.0011","90","","117.333","0.003","90","","30745.3","1.4","173","0.1","173","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C263 H194 Au40 Cl4 F24 P8 Sb4 -","- C263 H194 Au40 Cl4 F24 P8 Sb4 -","- C1052 H776 Au160 Cl16 F96 P32 Sb16 -","4","0.5","","Wang, Ting; Zhang, Wen-Han; Yuan, Shang-Fu; Guan, Zong-Jie; Wang, Quan-Ming","An alkynyl-protected Au<sub>40</sub> nanocluster featuring PhC[triple bond, length as m-dash]C-Au-P^P motifs.","Chemical communications (Cambridge, England)","2018","54","73","10367","10370","10.1039/c8cc06665e","","","1.54184","CuKα","","0.1062","0.0927","","","0.2476","0.2615","","","","","","1.057","","","","has coordinates","228052","2020-10-21","18:00:00",""
"7122205","10.474","0.003","11.271","0.003","17.518","0.005","90","","96.136","0.009","90","","2056.2","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl F N2 O3 -","- C24 H19 Cl F2 N2 O2 -","- C96 H76 Cl4 F8 N8 O8 -","4","1","","Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul","New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.0941","0.052","","","0.1054","0.1246","","","","","","1.029","","","","has coordinates","230141","2020-10-21","18:00:00",""
"7122206","5.35","0.004","14.08","0.011","14.717","0.011","101","0.03","90.44","0.03","97.24","0.03","1079","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Cl N2 O2 -","- C25 H23 Cl N2 O2 -","- C50 H46 Cl2 N4 O4 -","2","1","","Umar, Tarana; Shalini, Shruti; Raza, Md Kausar; Gusain, Siddharth; Kumar, Jitendra; Ahmed, Waqar; Tiwari, Manisha; Hoda, Nasimul","New amyloid beta-disaggregating agents: synthesis, pharmacological evaluation, crystal structure and molecular docking of <i>N</i>-(4-((7-chloroquinolin-4-yl)oxy)-3-ethoxybenzyl)amines.","MedChemComm","2018","9","11","1891","1904","10.1039/c8md00312b","","","0.71073","MoKα","","0.3659","0.1973","","","0.3719","0.4426","","","","","","1.172","","","","has coordinates","230141","2020-10-21","18:00:00",""
"7122207","10.0581","0.0011","11.341","0.0012","17.3605","0.0019","90","","90","","90","","1980.3","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br F N O2 S -","- C22 H17 Br F N O2 S -","- C88 H68 Br4 F4 N4 O8 S4 -","4","1","","Fan, Xing; Wang, Qiang; Wei, Yin; Shi, Min","Catalyst-free geminal aminofluorination of ortho-sulfonamide-tethered alkylidenecyclopropanes via a Wagner-Meerwein rearrangement.","Chemical communications (Cambridge, England)","2018","54","74","10503","10506","10.1039/c8cc05634j","","","0.71073","MoKα","","0.0541","0.0399","","","0.0839","0.0894","","","","","","1.001","","","","has coordinates","228203","2020-10-21","18:00:00",""
"7122208","14.399","0.002","9.6415","0.0016","17.024","0.003","90","","93.004","0.004","90","","2360.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br F3 N2 O3 S -","- C25 H22 Br F3 N2 O3 S -","- C100 H88 Br4 F12 N8 O12 S4 -","4","1","","Fan, Xing; Wang, Qiang; Wei, Yin; Shi, Min","Catalyst-free geminal aminofluorination of ortho-sulfonamide-tethered alkylidenecyclopropanes via a Wagner-Meerwein rearrangement.","Chemical communications (Cambridge, England)","2018","54","74","10503","10506","10.1039/c8cc05634j","","","0.71073","MoKα","","0.068","0.0428","","","0.1007","0.1112","","","","","","1.012","","","","has coordinates","228203","2020-10-21","18:00:00",""
"7122209","14.943","0.003","11.511","0.002","11.392","0.002","90","","98.266","0.006","90","","1939.2","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 F2 N O2 S -","- C22 H19 F2 N O2 S -","- C88 H76 F8 N4 O8 S4 -","4","1","","Fan, Xing; Wang, Qiang; Wei, Yin; Shi, Min","Catalyst-free geminal aminofluorination of ortho-sulfonamide-tethered alkylidenecyclopropanes via a Wagner-Meerwein rearrangement.","Chemical communications (Cambridge, England)","2018","54","74","10503","10506","10.1039/c8cc05634j","","","0.71073","MoKα","","0.0986","0.0651","","","0.1539","0.1777","","","","","","1.091","","","","has coordinates","228203","2020-10-21","18:00:00",""
"7122210","8.2648","0.0002","10.1169","0.0002","10.9096","0.0003","90","","106.079","0.003","90","","876.51","0.04","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles.","Chemical communications (Cambridge, England)","2018","54","72","10128","10131","10.1039/c8cc04656e","","","1.54184","CuKα","","0.0286","0.0283","","","0.0741","0.0747","","","","","","1.067","","","","has coordinates","228408","2020-10-21","18:00:00",""
"7122211","9.683","0.002","9.746","0.003","11.167","0.003","68.9","0.03","72.87","0.02","64.67","0.03","876.2","0.5","288.52","0.1","288.52","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun","Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles.","Chemical communications (Cambridge, England)","2018","54","72","10128","10131","10.1039/c8cc04656e","","","0.71073","MoKα","","0.1289","0.0696","","","0.1652","0.2149","","","","","","1.041","","","","has coordinates","228408","2020-10-21","18:00:00",""
"7122212","9.8651","0.0003","39.2173","0.0009","12.3474","0.0004","90","","92.598","0.003","90","","4772.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H72 Lu2 Si6 -","- C42 H72 Lu2 Si6 -","- C168 H288 Lu8 Si24 -","4","1","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0397","0.0322","","","0.0643","0.0661","","","","","","1.08","","","","has coordinates","228048","2020-10-21","18:00:00",""
"7122213","20.141","0.004","12.664","0.003","20.822","0.004","90","","116.07","0.013","90","","4770.6","1.8","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Si6 Tb2 -","- C42 H72 Si6 Tb2 -","- C168 H288 Si24 Tb8 -","4","1","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0388","0.0286","","","0.0609","0.0633","","","","","","1.037","","","","has coordinates","228048","2020-10-21","18:00:00",""
"7122214","11.761","0.008","13.119","0.006","15.744","0.008","87.01","0.04","81.33","0.05","86.58","0.05","2395","2","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C84 H144 Si12 Y4 -","- C84 H144 Si12 Y4 -","- C84 H144 Si12 Y4 -","1","0.5","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0917","0.0669","","","0.1432","0.1544","","","","","","1.099","","","","has coordinates,has disorder","228048","2020-10-21","18:00:00",""
"7122215","11.747","0.005","20.28","0.004","20.734","0.008","90","","94.11","0.03","90","","4927","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H72 La2 Si6 -","- C42 H72 La2 Si6 -","- C168 H288 La8 Si24 -","4","2","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0496","0.0476","","","0.1299","0.1331","","","","","","0.876","","","","has coordinates","228048","2020-10-21","18:00:00",""
"7122216","13.092","0.003","18.108","0.006","20.921","0.005","73.62","0.02","86.142","0.017","89.8","0.02","4747","2","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H72 Si6 Tm2 -","- C42 H72 Si6 Tm2 -","- C168 H288 Si24 Tm8 -","4","2","","Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","The ""Wanderlust"" of Me<sub>3</sub>Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.","Chemical communications (Cambridge, England)","2018","54","73","10280","10283","10.1039/c8cc05317k","","","0.71073","MoKα","","0.0725","0.0572","","","0.1429","0.1514","","","","","","1.158","","","","has coordinates","228048","2020-10-21","18:00:00",""
"7122217","21.7877","0.0008","5.806","0.0002","19.489","0.0014","90","","100.565","0.008","90","","2423.6","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Br I O -","- C12 H10 Br I O -","- C96 H80 Br8 I8 O8 -","8","1","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","1.54187","CuKα","","0.084","0.0591","","","0.1287","0.1786","","","","","","1.217","","","","has coordinates","228049","2020-10-21","18:00:00",""
"7122218","22.0476","0.0015","5.678","0.0004","18.9405","0.0013","90","","100.965","0.007","90","","2327.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br I O S -","- C10 H8 Br I O S -","- C80 H64 Br8 I8 O8 S8 -","8","1","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0754","0.0504","","","0.1083","0.1292","","","","","","1.1","","","","has coordinates","228049","2020-10-21","18:00:00",""
"7122219","11.0912","0.0003","18.5647","0.0013","10.9748","0.0002","90","","90","","90","","2259.76","0.17","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H19 Br I2 O2 -","- C24 H19 Br I2 O2 -","- C96 H76 Br4 I8 O8 -","4","0.5","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0205","0.0183","","","0.0432","0.044","","","","","","1.073","","","","has coordinates","228049","2020-10-21","18:00:00",""
"7122220","15.5268","0.0011","15.5268","0.0011","16.7336","0.0012","90","","90","","120","","3493.7","0.4","123","2","123","2","","","","","","","","4","P 62","P 62","171","","","","- C13 H9 I O3 -","- C13 H9 I O3 -","- C156 H108 I12 O36 -","12","2","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0454","0.0371","","","0.0647","0.0681","","","","","","1.022","","","","has coordinates","228049","2020-10-21","18:00:00",""
"7122221","12.296","0.003","10.711","0.002","12.599","0.002","90","","115.117","0.008","90","","1502.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 I O4 S2 -","- C11 H8 F3 I O4 S2 -","- C44 H32 F12 I4 O16 S8 -","4","1","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0343","0.0259","","","0.0499","0.0552","","","","","","1.08","","","","has coordinates,has disorder","228049","2020-10-21","18:00:00",""
"7122222","12.4345","0.0007","10.6515","0.0007","12.6308","0.0009","90","","115.594","0.008","90","","1508.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F3 I O4 S2 -","- C11 H8 F3 I O4 S2 -","- C44 H32 F12 I4 O16 S8 -","4","1","","Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V.","Preparation and structure of phenolic aryliodonium salts.","Chemical communications (Cambridge, England)","2018","54","73","10363","10366","10.1039/c8cc06211k","","","0.71075","MoKα","","0.0438","0.0321","","","0.0686","0.0732","","","","","","1.061","","","","has coordinates,has disorder","228049","2020-10-21","18:00:00",""
"7122223","19.562","0.0008","19.562","0.0008","29.3799","0.0015","90","","90","","90","","11242.9","0.9","100","","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C60 H140 Cl42 Np38 O76 -","- C60 H140 Cl42 Np38 O76 -","- C120 H280 Cl84 Np76 O152 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi","{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.","Chemical communications (Cambridge, England)","2018","54","72","10060","10063","10.1039/c8cc03744b","","x-ray","0.71073","MoKα","","0.1084","0.041","","","0.0774","0.091","","","","1.48","1.48","1.23","","","","has coordinates","228413","2020-10-21","18:00:00",""
"7122224","21.9347","0.001","21.9347","0.001","29.8559","0.0014","90","","90","","90","","14364.6","1.1","100","","100","","","","","","","","","5","I 4/m","-I 4","87","","","","- C200 H184 Cl18 Np38 O112 -","- C200 H184 Cl18 Np38 O112 -","- C400 H368 Cl36 Np76 O224 -","2","0.125","","Martin, Nicolas P.; Volkringer, Christophe; Roussel, Pascal; März, Juliane; Hennig, Christoph; Loiseau, Thierry; Ikeda-Ohno, Atsushi","{Np<sub>38</sub>} clusters: the missing link in the largest poly-oxo cluster series of tetravalent actinides.","Chemical communications (Cambridge, England)","2018","54","72","10060","10063","10.1039/c8cc03744b","","x-ray","0.71073","MoKα","","0.0985","0.0697","","","0.0843","0.0876","","","","4.43","4.43","3.63","","","","has coordinates","228413","2020-10-21","18:00:00",""
"7122225","11.5709","0.0007","7.9832","0.0004","17.4107","0.0011","90","","105.455","0.006","90","","1550.12","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 N O6 S -","- C34 H31 N O6 S -","- C68 H62 N2 O12 S2 -","2","1","","Zhong, Xia; Tang, Qiong; Zhou, Pengfei; Zhong, Ziwei; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides.","Chemical communications (Cambridge, England)","2018","54","74","10511","10514","10.1039/c8cc06416d","","x-ray","0.71073","MoKα","","0.0887","0.0632","","","0.147","0.172","","","","","","1.054","","","","has coordinates","228199","2020-10-21","18:00:00",""
"7122226","14.938","0.0002","19.9785","0.0003","13.3618","0.0002","90","","97.025","0.001","90","","3957.74","0.1","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 N O7 S Si -","- C42 H49 N O7 S Si -","- C168 H196 N4 O28 S4 Si4 -","4","1","","Zhong, Xia; Tang, Qiong; Zhou, Pengfei; Zhong, Ziwei; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides.","Chemical communications (Cambridge, England)","2018","54","74","10511","10514","10.1039/c8cc06416d","","","1.54178","CuKα","","0.0511","0.04","","","0.1148","0.1233","","","","","","1.042","","","","has coordinates","228199","2020-10-21","18:00:00",""
"7122227","8.5593","0.0007","13.716","0.0011","13.8176","0.0011","77.0026","0.0014","88.6155","0.0014","88.3987","0.0014","1579.7","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H36 B Cl3 F4 Rh2 S2 -","- C27 H36 B Cl3 F4 Rh2 S2 -","- C54 H72 B2 Cl6 F8 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0584","0.0555","","","0.1533","0.1571","","","","","","1.049","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122228","11.8882","0.0004","13.8454","0.0005","17.6084","0.0006","88.5777","0.0013","76.6031","0.0012","79.8761","0.0012","2775.14","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 B Cl5 Rh2 S2 -","- C60 H64 B Cl5 Rh2 S2 -","- C120 H128 B2 Cl10 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0527","0.0465","","","0.1126","0.1164","","","","","","1.091","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122229","10.9219","0.0005","13.2492","0.0006","17.0937","0.0008","106.757","0.0014","95.401","0.0015","108.677","0.0013","2195.9","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H57 B Rh2 S2 -","- C52 H57 B Rh2 S2 -","- C104 H114 B2 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0319","0.0279","","","0.0771","0.0803","","","","","","1.033","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122230","9.6295","0.0004","9.8207","0.0004","15.3103","0.0007","100.996","0.0012","103.941","0.0012","106.208","0.0013","1296.65","0.1","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Rh2 S2 -","- C26 H34 Rh2 S2 -","- C52 H68 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0584","0.0523","","","0.1412","0.1476","","","","","","0.962","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122231","9.9962","0.0005","11.8993","0.0006","13.388","0.0006","104.449","0.0016","90.0325","0.0017","95.9034","0.0018","1533.36","0.13","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 F6 P Rh2 S2 -","- C26 H35 F6 P Rh2 S2 -","- C52 H70 F12 P2 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0402","0.0305","","","0.0789","0.0858","","","","","","0.86","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122232","19.4748","0.0009","10.6687","0.0004","23.5138","0.0011","90","","106.023","0.002","90","","4695.7","0.4","96","2","96","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C55 H63 B Rh2 S2 -","- C55 H63 B Rh2 S2 -","- C220 H252 B4 Rh8 S8 -","4","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.031","0.0308","","","0.0777","0.0779","","","","","","1.013","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122233","13.5617","0.0006","14.409","0.0007","15.3302","0.0007","73.0429","0.0016","73.0526","0.0017","74.0362","0.0016","2681.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H69 B Cl2 Rh2 S2 -","- C58 H69 B Cl2 Rh2 S2 -","- C116 H138 B2 Cl4 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0589","0.0475","","","0.1065","0.1107","","","","","","1.047","","","","has coordinates,has disorder","228222","2020-10-21","18:00:00",""
"7122234","10.8763","0.0006","13.0712","0.0007","17.1848","0.001","106.971","0.0009","93.6316","0.0009","108.717","0.0009","2179.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 B Cl Ir2 S2 -","- C50 H54 B Cl Ir2 S2 -","- C100 H108 B2 Cl2 Ir4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0233","0.0217","","","0.0555","0.0565","","","","","","1.062","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122235","9.921","0.004","11.57","0.005","13.212","0.006","74.619","0.013","86.919","0.013","83.718","0.013","1453","1.1","278","2","278","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H35 B F4 Ir2 S2 -","- C26 H35 B F4 Ir2 S2 -","- C52 H70 B2 F8 Ir4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0585","0.0506","","","0.1364","0.1454","","","","","","1.077","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122236","11.8737","0.0005","13.8883","0.0006","17.6708","0.0008","88.3611","0.0014","76.5046","0.0013","80.2492","0.0013","2792.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H67 B Cl4 Rh2 S2 -","- C61 H67 B Cl4 Rh2 S2 -","- C122 H134 B2 Cl8 Rh4 S4 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0363","0.0317","","","0.0841","0.0887","","","","","","1.003","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122237","10.7515","0.0005","15.4939","0.0007","16.0369","0.0007","79.6888","0.0014","77.901","0.0014","87.8163","0.0014","2569.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H68 Ir4 S4 -","- C52 H68 Ir4 S4 -","- C104 H136 Ir8 S8 -","2","1","","Zhao, Xiangyu; Yang, Dawei; Zhang, Yahui; Wang, Baomin; Qu, Jingping","Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","79","11112","11115","10.1039/c8cc05738a","","","0.71073","MoKα","","0.0475","0.0418","","","0.1124","0.1184","","","","","","1.136","","","","has coordinates","228222","2020-10-21","18:00:00",""
"7122238","10.6779","0.0005","20.1665","0.0009","15.5021","0.0008","90","","103.346","0.0019","90","","3248","0.3","150","2","149.98","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 Dy1.45 K6 N2 O63.75 Si W11 -","- C13 Dy1.45 K6 N2 O63.75 Si W11 -","- C26 Dy2.9 K12 N4 O127.5 Si2 W22 -","2","1","","Arab Fashapoyeh, Marzieh; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Rajagopal, Ashwene; Lechner, Manuel; Liu, Rongji; Streb, Carsten","Photochemical and electrochemical hydrogen evolution reactivity of lanthanide-functionalized polyoxotungstates.","Chemical communications (Cambridge, England)","2018","54","74","10427","10430","10.1039/c8cc06334f","","","0.71073","MoKα","","0.0291","0.0262","","","0.0633","0.0652","","","","","","1.078","","","","has coordinates,has disorder","228204","2020-10-21","18:00:00",""
"7122239","11.4529","0.0013","30.495","0.003","17.907","0.002","90","","101.994","0.004","90","","6117.6","1.1","150","2","150.04","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 K4 N2 O63.75 Pr2 Si W11 -","- C14 K4 N2 O63.75 Pr2 Si W11 -","- C56 K16 N8 O255 Pr8 Si4 W44 -","4","1","","Arab Fashapoyeh, Marzieh; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Rajagopal, Ashwene; Lechner, Manuel; Liu, Rongji; Streb, Carsten","Photochemical and electrochemical hydrogen evolution reactivity of lanthanide-functionalized polyoxotungstates.","Chemical communications (Cambridge, England)","2018","54","74","10427","10430","10.1039/c8cc06334f","","","0.71073","MoKα","","0.1066","0.0846","","","0.2064","0.2213","","","","","","1.148","","","","has coordinates","228204","2020-10-21","18:00:00",""
"7122240","11.5296","0.001","30.702","0.003","17.9958","0.0014","90","","101.94","0.003","90","","6232.4","1","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 K4.5 La2 N2 O63.5 Si W11 -","- C14 K4.5 La2 N2 O63.5 Si W11 -","- C56 K18 La8 N8 O254 Si4 W44 -","4","1","","Arab Fashapoyeh, Marzieh; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Rajagopal, Ashwene; Lechner, Manuel; Liu, Rongji; Streb, Carsten","Photochemical and electrochemical hydrogen evolution reactivity of lanthanide-functionalized polyoxotungstates.","Chemical communications (Cambridge, England)","2018","54","74","10427","10430","10.1039/c8cc06334f","","","0.71073","MoKα","","0.0292","0.0259","","","0.0579","0.0593","","","","","","1.083","","","","has coordinates,has disorder","228204","2020-10-21","18:00:00",""
"7122241","16.5242","0.0015","9.503","0.0008","26.035","0.003","90","","90","","90","","4088.3","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Br Mn N2 O3 S -","- C18 H18 Br Mn N2 O3 S -","- C144 H144 Br8 Mn8 N16 O24 S8 -","8","1","","Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar","Phosphine free Mn-complex catalysed dehydrogenative C-C and C-heteroatom bond formation: a sustainable approach to synthesize quinoxaline, pyrazine, benzothiazole and quinoline derivatives.","Chemical communications (Cambridge, England)","2018","54","75","10582","10585","10.1039/c8cc05877f","","","0.71073","MoKα","","0.0816","0.0448","","","0.1273","0.1531","","","","","","0.956","","","","has coordinates","228181","2020-10-21","18:00:00",""
"7122242","5.9134","0.0005","7.7193","0.0007","31.935","0.002","90","","90","","90","","1457.7","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.037","0.0308","","","0.0714","0.0738","","","","","","1.066","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122243","5.9479","0.0005","12.3654","0.0011","21.1408","0.0018","90","","90","","90","","1554.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.0352","0.0299","","","0.0708","0.073","","","","","","1.069","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122244","6.4325","0.0003","15.1525","0.0007","15.7404","0.0007","90","","90","","90","","1534.19","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F N2 -","- C19 H21 F N2 -","- C76 H84 F4 N8 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.0327","0.0293","","","0.0683","0.0699","","","","","","1.11","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122245","56.225","0.004","4.6615","0.0003","14.0454","0.0009","90","","101.729","0.004","90","","3604.3","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 O6 -","- C21 H22 O6 -","- C168 H176 O48 -","8","1","","Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents.","MedChemComm","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0924","0.0468","","","0.0937","0.1113","","","","","","1.015","","","","has coordinates","230128","2020-10-21","18:00:00",""
"7122246","12.1996","0.0005","6.7253","0.0002","20.3499","0.0009","90","","94.1342","0.0015","90","","1665.28","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Maguire, Casey J.; Chen, Zhi; Mocharla, Vani P.; Sriram, Madhavi; Strecker, Tracy E.; Hamel, Ernest; Zhou, Heling; Lopez, Ramona; Wang, Yifan; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis of dihydronaphthalene analogues inspired by combretastatin A-4 and their biological evaluation as anticancer agents.","MedChemComm","2018","9","10","1649","1662","10.1039/c8md00322j","","","0.71073","MoKα","","0.0587","0.046","","","0.131","0.1366","","","","","","1.671","","","","has coordinates","230128","2020-10-21","18:00:00",""
"7122247","10.0265","0.0001","12.7798","0.0001","25.9558","0.0003","90","","90","","90","","3325.89","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 Si -","- C38 H50 Si -","- C152 H200 Si4 -","4","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","0.71073","MoKα","","0.0563","0.0445","","0.1161","0.1033","0.1161","","","","","","0.9099","","","","has coordinates","227994","2020-10-21","18:00:00",""
"7122248","10.5667","0.0004","13.3377","0.0006","14.5723","0.0007","94.961","0.004","106.587","0.004","94.008","0.004","1951.27","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl2 Hf Si -","- C44 H54 Cl2 Hf Si -","- C88 H108 Cl4 Hf2 Si2 -","2","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","1.54184","CuKα","","0.0261","0.0228","","","0.0524","0.0542","","","","","","1.037","","","","has coordinates,has disorder","227994","2020-10-21","18:00:00",""
"7122249","13.8066","0.0004","15.6857","0.0005","19.9468","0.0006","78.658","0.002","76.378","0.002","69.286","0.003","3896.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H116 Cl4 Si2 Zr2 -","- C85 H116 Cl4 Si2 Zr2 -","- C170 H232 Cl8 Si4 Zr4 -","2","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","1.54184","CuKα","","0.0354","0.0299","","","0.074","0.0775","","","","","","1.03","","","","has coordinates","227994","2020-10-21","18:00:00",""
"7122250","10.5809","0.0003","13.3793","0.0003","14.5519","0.0005","94.719","0.002","106.544","0.003","94.233","0.002","1957.84","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 Cl2 Si Zr -","- C44 H54 Cl2 Si Zr -","- C88 H108 Cl4 Si2 Zr2 -","2","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","1.54184","CuKα","","0.056","0.0391","","","0.0915","0.0968","","","","","","1.13","","","","has coordinates,has disorder","227994","2020-10-21","18:00:00",""
"7122251","11.1926","0.0006","12.9453","0.0007","13.5301","0.0007","101.807","0.004","108.951","0.005","97.086","0.004","1776.35","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H50 Cl2 Si Zr -","- C39 H50 Cl2 Si Zr -","- C78 H100 Cl4 Si2 Zr2 -","2","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","1.54184","CuKα","","0.0352","0.0333","","","0.0898","0.0917","","","","","","1.042","","","","has coordinates","227994","2020-10-21","18:00:00",""
"7122252","15.4588","0.0008","16.8913","0.001","19.2243","0.0009","68.923","0.005","84.784","0.004","65.752","0.005","4261.2","0.5","150","2","149.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 Cl2 Si Zr -","- C40 H52 Cl2 Si Zr -","- C160 H208 Cl8 Si4 Zr4 -","4","2","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","x-ray","1.54184","CuKα","","0.0733","0.0499","","","0.1308","0.1417","","","","","","1.059","","","","has coordinates","227994","2020-10-21","18:00:00",""
"7122253","16.321","0.006","16.321","0.006","11.887","0.011","90","","90","","120","","2742","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C15 H21 Co Na O6 -","- C15 H21 Co Na O6 -","- C90 H126 Co6 Na6 O36 -","6","0.166667","","Li, Maofan; Yang, Kai; Liu, Jiajie; Hu, Xiaobing; Kong, Defei; Liu, Tongchao; Zhang, Mingjian; Pan, Feng","A heterobimetallic single-source precursor enabled layered oxide cathode for sodium-ion batteries.","Chemical communications (Cambridge, England)","2018","54","76","10714","10717","10.1039/c8cc04205e","","","1.54187","CuKα","","0.1043","0.1043","","","0.3295","0.3295","","","","","","1.037","","","","has coordinates","228141","2020-10-21","18:00:00",""
"7122254","16.8787","0.0015","21.4898","0.0019","15.3187","0.0014","90","","91.028","0.001","90","","5555.5","0.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O5 -","- C31 H34 O5 -","- C248 H272 O40 -","8","2","","Shen, Zheng-Jia; Shi, Hao-Nan; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Visible-light photocatalytic bicyclization of β-alkynyl propenones for accessing diastereoenriched syn-fluoren-9-ones.","Chemical communications (Cambridge, England)","2018","54","82","11542","11545","10.1039/c8cc06086j","","","0.71073","MoKα","","0.1898","0.0663","","","0.1021","0.1207","","","","","","1.067","","","","has coordinates,has disorder","228616","2020-10-21","18:00:00",""
"7122255","5.5421","0.0005","7.9319","0.0009","9.4933","0.0003","82.068","0.006","76.113","0.006","80.977","0.008","397.91","0.06","110","0.14","110","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 Cl N2 -","- C8 H9 Cl N2 -","- C16 H18 Cl2 N4 -","2","1","","Richards, Josh E.; Hooper, Alexander J. J.; Bayfield, Oliver W.; Cockett, Martin C. R.; Dear, Gordon J.; Holmes, A. Jonathon; John, Richard O.; Mewis, Ryan E.; Pridmore, Natalie; Roberts, Andy D.; Whitwood, Adrian C.; Duckett, Simon B.","Using hyperpolarised NMR and DFT to rationalise the unexpected hydrogenation of quinazoline to 3,4-dihydroquinazoline.","Chemical communications (Cambridge, England)","2018","54","73","10375","10378","10.1039/c8cc04826f","","x-ray","0.71073","MoKα","","0.0648","0.0562","","","0.1316","0.1363","","","","","","1.129","","","","has coordinates","228045","2020-10-21","18:00:00",""
"7122256","9.2327","0.0008","9.5206","0.0009","17.1628","0.0019","94.671","0.004","104.862","0.004","112.646","0.003","1318","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H34 O Si2 -","- C27 H34 O Si2 -","- C54 H68 O2 Si4 -","2","1","","Zhou, Bo; Lu, Ailan; Shao, Changdong; Liang, Xinda; Zhang, Yanghui","Palladium-catalyzed sequential three-component reactions to access vinylsilanes.","Chemical communications (Cambridge, England)","2018","54","75","10598","10601","10.1039/c8cc05254a","","","0.71073","MoKα","","0.0669","0.0439","","","0.1072","0.1207","","","","","","1.029","","","","has coordinates","228179","2020-10-21","18:00:00",""
"7122257","9.8918","0.0003","11.8798","0.0007","12.5977","0.0006","117.242","0.005","103.91","0.003","98.15","0.004","1221.99","0.13","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O2 P2 -","- C29 H28 O2 P2 -","- C58 H56 O4 P4 -","2","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","1.54184","CuKα","","0.039","0.036","","","0.0965","0.0989","","","","","","1.042","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122258","6.2505","0.0002","22.1889","0.0009","18.8017","0.0006","90","","93.871","0.003","90","","2601.69","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O P2 -","- C33 H28 O P2 -","- C132 H112 O4 P8 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","0.71073","MoKα","","0.0577","0.0441","","","0.1","0.1075","","","","","","1.029","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122259","17.0617","0.0003","10.7421","0.0001","17.4615","0.0003","90","","117.433","0.002","90","","2840.44","0.09","150","0.1","150","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H31 N O P2 -","- C34 H31 N O P2 -","- C136 H124 N4 O4 P8 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","1.54184","CuKα","","0.0231","0.023","","","0.0616","0.0618","","","","","","1.066","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122260","10.1534","0.0003","18.1256","0.0004","18.7968","0.0005","90","","99.266","0.003","90","","3414.16","0.16","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 N2 P2 -","- C41 H36 N2 P2 -","- C164 H144 N8 P8 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.1033","0.1127","","","","","","1.045","","","","has coordinates,has disorder","228200","2020-10-21","18:00:00",""
"7122261","15.9327","0.0002","17.7483","0.0003","6.06371","0.00011","90","","90","","90","","1714.69","0.05","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H19 P -","- C22 H19 P -","- C88 H76 P4 -","4","1","","Coles, N. T.; Mahon, M. F.; Webster, R. L.","1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination.","Chemical communications (Cambridge, England)","2018","54","74","10443","10446","10.1039/c8cc05890c","","x-ray","0.71073","MoKα","","0.0393","0.0338","","","0.0767","0.0795","","","","","","1.033","","","","has coordinates","228200","2020-10-21","18:00:00",""
"7122262","7.1378","0.001","16.682","0.002","20.056","0.003","90","","90","","90","","2388.1","0.6","180.45","","180.45","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Cl2 N2 O2 -","- C29 H22 Cl2 N2 O2 -","- C116 H88 Cl8 N8 O8 -","4","1","","Niklas, Julie E.; Hardy, Emily E.; Gorden, Anne E. V.","Solid-state structural elucidation and electrochemical analysis of uranyl naphthylsalophen.","Chemical communications (Cambridge, England)","2018","54","83","11693","11696","10.1039/c8cc05242e","","","0.71073","MoKα","","0.0869","0.0556","","","0.1167","0.1284","","","","","","1.0365","","","","has coordinates","228096","2020-10-21","18:00:00",""
"7122263","15.4659","0.0012","19.3294","0.0014","22.2346","0.0016","90","","106.655","0.001","90","","6368.1","0.8","180","","180","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 Cl8 N4 O10 U2 -","- C60 H48 Cl8 N4 O10 U2 -","- C240 H192 Cl32 N16 O40 U8 -","4","1","","Niklas, Julie E.; Hardy, Emily E.; Gorden, Anne E. V.","Solid-state structural elucidation and electrochemical analysis of uranyl naphthylsalophen.","Chemical communications (Cambridge, England)","2018","54","83","11693","11696","10.1039/c8cc05242e","","","0.71073","MoKα","","0.0628","0.044","","","0.0935","0.1031","","","","","","1.0941","","","","has coordinates","228096","2020-10-21","18:00:00",""
"7122264","7.7715","0.0004","29.4724","0.0014","11.6745","0.0006","90","","96.989","0.001","90","","2654.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N9 O4 -","- C8 H9 N9 O4 -","- C64 H72 N72 O32 -","8","2","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.","Chemical communications (Cambridge, England)","2018","54","75","10566","10569","10.1039/c8cc05987j","","","0.71073","MoKα","","0.0836","0.0531","","","0.1283","0.1439","","","","","","1.036","","","","has coordinates,has disorder","228180","2020-10-21","18:00:00",""
"7122265","10.847","0.0003","14.2197","0.0005","14.3756","0.0004","90","","90","","90","","2217.31","0.12","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H18 N16 O11 -","- C12 H18 N16 O11 -","- C48 H72 N64 O44 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.","Chemical communications (Cambridge, England)","2018","54","75","10566","10569","10.1039/c8cc05987j","","","1.54178","CuKα","","0.059","0.0525","","","0.1328","0.138","","","","","","1.038","","","","has coordinates","228180","2020-10-21","18:00:00",""
"7122266","8.8353","0.0002","18.9345","0.0004","13.781","0.0003","90","","90.062","0.001","90","","2305.45","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N15 O12 -","- C13 H15 N15 O12 -","- C52 H60 N60 O48 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","A C-C bonded 5,6-fused bicyclic energetic molecule: exploring an advanced energetic compound with improved performance.","Chemical communications (Cambridge, England)","2018","54","75","10566","10569","10.1039/c8cc05987j","","","1.54178","CuKα","","0.0368","0.0343","","","0.0923","0.095","","","","","","0.951","","","","has coordinates","228180","2020-10-21","18:00:00",""
"7122267","10.5588","0.0002","11.2682","0.0002","12.194","0.0002","90","","90.698","0.002","90","","1450.72","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 F3 N4 O3 -","- C32 H29 F3 N4 O3 -","- C64 H58 F6 N8 O6 -","2","1","","Li, Shi-Wu; Kang, Qiang","Catalytic asymmetric synthesis of diphenylbutazone analogues.","Chemical communications (Cambridge, England)","2018","54","74","10479","10482","10.1039/c8cc06426a","","","1.54184","CuKα","","0.0311","0.0295","","","0.0792","0.0812","","","","","","0.927","","","","has coordinates","228206","2020-10-21","18:00:00",""
"7122268","23.1941","0.001","13.4114","0.0005","16.7226","0.0006","90","","91.6148","0.001","90","","5199.8","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Eu(hfa)3(p-dpeb)]n","","","- C49 H27 Eu F18 O8 P2 -","- C49 H27 Eu F18 O8 P2 -","- C196 H108 Eu4 F72 O32 P8 -","4","1","","Hasegawa, Yasuchika; Miura, Yui; Kitagawa, Yuichi; Wada, Satoshi; Nakanishi, Takayuki; Fushimi, Koji; Seki, Tomohiro; Ito, Hajime; Iwasa, Takeshi; Taketsugu, Tetsuya; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Hattori, Shingo; Karasawa, Masanobu; Ishii, Kazuyuki","Spiral Eu(iii) coordination polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2018","54","76","10695","10697","10.1039/c8cc05147j","","","0.71075","MoKα","","0.0484","0.042","","","0.0989","0.0998","","","","","","2.865","","","","has coordinates","228142","2020-10-21","18:00:00",""
"7122269","12.5432","0.0009","30.3644","0.0015","12.9212","0.0009","90","","90.378","0.006","90","","4921.1","0.5","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98 H54 Eu2 F36 O16 P4 -","- C98 H54 Eu2 F36 O16 P4 -","- C196 H108 Eu4 F72 O32 P8 -","2","0.5","","Hasegawa, Yasuchika; Miura, Yui; Kitagawa, Yuichi; Wada, Satoshi; Nakanishi, Takayuki; Fushimi, Koji; Seki, Tomohiro; Ito, Hajime; Iwasa, Takeshi; Taketsugu, Tetsuya; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Hattori, Shingo; Karasawa, Masanobu; Ishii, Kazuyuki","Spiral Eu(iii) coordination polymers with circularly polarized luminescence.","Chemical communications (Cambridge, England)","2018","54","76","10695","10697","10.1039/c8cc05147j","","","0.71075","MoKα","","","0.0439","","","","0.0728","","","","","","1.008","","","","has coordinates","228142","2020-10-21","18:00:00",""
"7122270","10.5028","0.0016","4.8074","0.0007","23.494","0.006","90","","98.523","0.019","90","","1173.1","0.4","295.9","0.3","295.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","An, Zhenyu; Jiang, Yong; Guan, Xin; Yan, Rulong","Copper-catalyzed tandem aerobic oxidative cyclization for the synthesis of 4-cyanoalkylpyrrolo[1,2-a]quinoxalines from 1-(2-aminophenyl)pyrroles and cyclobutanone oxime esters.","Chemical communications (Cambridge, England)","2018","54","76","10738","10741","10.1039/c8cc06256k","","x-ray","0.71073","MoKα","","0.1602","0.0813","","","0.1507","0.1902","","","","","","1.033","","","","has coordinates","228145","2020-10-21","18:00:00",""
"7122271","14.8153","0.0012","14.334","0.0012","11.4471","0.001","90","","90","","90","","2430.9","0.4","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C7 H8 Cu4 I4 N5 -","- C7 H8 Cu4 I4 N5 -","- C28 H32 Cu16 I16 N20 -","4","0.5","","Zhao, Nian; Yang, Lun; Pan, Qiyun; Han, Juanjuan; Li, Xiang; Liu, Meifeng; Xie, Bo; Wang, Yu; Wang, Xiuzhang; Zhu, Guangshan","Organic amines as templates: pore imprints with exactly size matching in a series of metal-organic frameworks","Chemical Communications","2018","","","","","10.1039/C8CC05404E","","","0.71073","MoKα","","0.0522","0.0369","","","0.1005","0.1094","","","","","","1.086","","","","has coordinates,has disorder","210242","2020-10-21","18:00:00",""
"7122272","17.84","0.002","31","0.004","8.4707","0.0011","90","","90","","90","","4684.6","1","296","2","296","2","","","","","","","","6","P m m n","-P 2ab 2a","59","","","","- C40 H56 Cu16 I16 N20 O -","- C40 H56 Cu16 I16 N20 O -","- C80 H112 Cu32 I32 N40 O2 -","2","","","Zhao, Nian; Yang, Lun; Pan, Qiyun; Han, Juanjuan; Li, Xiang; Liu, Meifeng; Xie, Bo; Wang, Yu; Wang, Xiuzhang; Zhu, Guangshan","Organic amines as templates: pore imprints with exactly size matching in a series of metal-organic frameworks","Chemical Communications","2018","","","","","10.1039/C8CC05404E","","","0.71073","MoKα","","0.0444","0.036","","","0.0842","0.088","","","","","","1.103","","","","has coordinates","210242","2020-10-21","18:00:00",""
"7122273","11.3646","0.0011","14.8491","0.0012","14.7153","0.0013","90","","98.85","0.002","90","","2453.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cu4 I4 N5 -","- C14 H23 Cu4 I4 N5 -","- C56 H92 Cu16 I16 N20 -","4","1","","Zhao, Nian; Yang, Lun; Pan, Qiyun; Han, Juanjuan; Li, Xiang; Liu, Meifeng; Xie, Bo; Wang, Yu; Wang, Xiuzhang; Zhu, Guangshan","Organic amines as templates: pore imprints with exactly size matching in a series of metal-organic frameworks","Chemical Communications","2018","","","","","10.1039/C8CC05404E","","","0.71073","MoKα","","0.04","0.0353","","","0.083","0.0849","","","","","","1.041","","","","has coordinates","210242","2020-10-21","18:00:00",""
"7122274","8.3092","0.0011","13.8633","0.0019","13.868","0.0019","64.284","0.004","80.304","0.004","73.576","0.004","1378.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H18 Cl2 F6 Ge2 N4 O6 S2 -","- C18 H18 Cl2 F6 Ge2 N4 O6 S2 -","- C36 H36 Cl4 F12 Ge4 N8 O12 S4 -","2","1","","Majumdar, Moumita; Raut, Ravindra K.; Sahoo, Padmini; Kumar, Vikas","Bis(chlorogermyliumylidene) and its significant role in elusive reductive cyclization.","Chemical communications (Cambridge, England)","2018","54","77","10839","10842","10.1039/c8cc06067c","","","1.54178","CuKα","","0.0421","0.0386","","","0.108","0.1117","","","","","","1.081","","","","has coordinates","228066","2020-10-21","18:00:00",""
"7122275","11.8024","0.0017","17.854","0.003","12.5096","0.0019","90","","113.836","0.005","90","","2411.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 F6 N4 O6 S2 -","- C18 H22 F6 N4 O6 S2 -","- C72 H88 F24 N16 O24 S8 -","4","1","","Majumdar, Moumita; Raut, Ravindra K.; Sahoo, Padmini; Kumar, Vikas","Bis(chlorogermyliumylidene) and its significant role in elusive reductive cyclization.","Chemical communications (Cambridge, England)","2018","54","77","10839","10842","10.1039/c8cc06067c","","","1.54178","CuKα","","0.0554","0.0512","","","0.1318","0.135","","","","","","1.029","","","","has coordinates","228066","2020-10-21","18:00:00",""
"7122276","20.604","0.004","13.372","0.003","20.162","0.004","90","0.03","118.5","0.03","90","0.03","4882","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F6 Ge N4 O6 S2 -","- C18 H20 F6 Ge N4 O6 S2 -","- C144 H160 F48 Ge8 N32 O48 S16 -","8","2","","Majumdar, Moumita; Raut, Ravindra K.; Sahoo, Padmini; Kumar, Vikas","Bis(chlorogermyliumylidene) and its significant role in elusive reductive cyclization.","Chemical communications (Cambridge, England)","2018","54","77","10839","10842","10.1039/c8cc06067c","","","1.54184","CuKα","","0.04","0.037","","","0.0926","0.0947","","","","","","1.041","","","","has coordinates","228066","2020-10-21","18:00:00",""
"7122277","23.5972","0.0019","14.6704","0.001","26.824","0.002","90","","104.411","0.005","90","","8993.8","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H66 K2 N4 O12 -","- C40 H66 K2 N4 O12 -","- C320 H528 K16 N32 O96 -","8","4","","Majumdar, Moumita; Raut, Ravindra K.; Sahoo, Padmini; Kumar, Vikas","Bis(chlorogermyliumylidene) and its significant role in elusive reductive cyclization.","Chemical communications (Cambridge, England)","2018","54","77","10839","10842","10.1039/c8cc06067c","","","1.54184","CuKα","","0.3799","0.1133","","","0.1338","0.1936","","","","","","0.992","","","","has coordinates","228066","2020-10-21","18:00:00",""
"7122278","18.049","0.004","5.593","0.001","18.384","0.004","90","","92.36","0.03","90","","1854.3","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H8.67 F4 I N O2.67 -","- C10 H8.66667 F4 I N O2.66667 -","- C60 H52 F24 I6 N6 O16 -","6","3","","Bergamaschi, Greta; Lascialfari, Luisa; Pizzi, Andrea; Martinez Espinoza, Maria Isabel; Demitri, Nicola; Milani, Alberto; Gori, Alessandro; Metrangolo, Pierangelo","A halogen bond-donor amino acid for organocatalysis in water.","Chemical communications (Cambridge, England)","2018","54","76","10718","10721","10.1039/c8cc06010j","","","0.7","Synchrotron","","0.1259","0.0983","","","0.2614","0.2826","","","","","","1.04","","","","has coordinates","228144","2020-10-21","18:00:00",""
"7122279","16.6735","0.0004","7.2738","0.0002","29.148","0.0007","90","","96.23","0.001","90","","3514.18","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 F8 I4 N2 O2 -","- C30 H22 F8 I4 N2 O2 -","- C120 H88 F32 I16 N8 O8 -","4","1","","Bergamaschi, Greta; Lascialfari, Luisa; Pizzi, Andrea; Martinez Espinoza, Maria Isabel; Demitri, Nicola; Milani, Alberto; Gori, Alessandro; Metrangolo, Pierangelo","A halogen bond-donor amino acid for organocatalysis in water.","Chemical communications (Cambridge, England)","2018","54","76","10718","10721","10.1039/c8cc06010j","","","0.71073","MoKα","","0.0724","0.0353","","","0.073","0.0862","","","","","","1.001","","","","has coordinates","228144","2020-10-21","18:00:00",""
"7122280","10.6644","0.0011","20.483","0.002","17.7085","0.0018","90","","104.649","0.001","90","","3742.5","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 O6 Se2 U -","- C78 H112 O6 Se2 U -","- C156 H224 O12 Se4 U2 -","2","1","","Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.","Structure and properties of [(4,6-<sup>t</sup>Bu<sub>2</sub>C<sub>6</sub>H<sub>2</sub>O)<sub>2</sub>Se]<sub>2</sub>An(THF)<sub>2</sub>, An = U, Np, and their reaction with p-benzoquinone.","Chemical communications (Cambridge, England)","2018","54","74","10435","10438","10.1039/c8cc05244a","","","0.71073","MoKα","","0.0376","0.0298","","","0.0582","0.0609","","","","","","0.868","","","","has coordinates,has disorder","228202","2020-10-21","18:00:00",""
"7122281","17.578","0.0012","20.5093","0.0015","21.1111","0.0015","90","","104.991","0.001","90","","7351.8","0.9","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H112 Np O6 Se2 -","- C78 H112 Np O6 Se2 -","- C312 H448 Np4 O24 Se8 -","4","2","","Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.","Structure and properties of [(4,6-<sup>t</sup>Bu<sub>2</sub>C<sub>6</sub>H<sub>2</sub>O)<sub>2</sub>Se]<sub>2</sub>An(THF)<sub>2</sub>, An = U, Np, and their reaction with p-benzoquinone.","Chemical communications (Cambridge, England)","2018","54","74","10435","10438","10.1039/c8cc05244a","","","0.71073","MoKα","","0.1101","0.0722","","","0.1089","0.1193","","","","","","1.145","","","","has coordinates,has disorder","228202","2020-10-21","18:00:00",""
"7122282","14.3383","0.0009","14.4734","0.0009","21.5834","0.0019","102.642","0.001","98.558","0.001","114.946","0.001","3812.7","0.5","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H212 O12 Se4 U2 -","- C132 H180 O12 Se4 U2 -","- C132 H180 O12 Se4 U2 -","1","0.5","","Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.","Structure and properties of [(4,6-<sup>t</sup>Bu<sub>2</sub>C<sub>6</sub>H<sub>2</sub>O)<sub>2</sub>Se]<sub>2</sub>An(THF)<sub>2</sub>, An = U, Np, and their reaction with p-benzoquinone.","Chemical communications (Cambridge, England)","2018","54","74","10435","10438","10.1039/c8cc05244a","","","0.71073","MoKα","","0.0489","0.0359","","","0.0923","0.0968","","","","","","1.06","","","","has coordinates,has disorder","228202","2020-10-21","18:00:00",""
"7122283","18.57","0.003","11.24","0.007","28.43","0.0017","90","","122.98","0.003","90","","4978","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris501 (Tapas)","compound 4","","- C37 H76 N6 Si6 U -","- C37 H76 N6 Si6 U -","- C148 H304 N24 Si24 U4 -","4","1","","Ghatak, Tapas; Makarov, Konstantin; Fridman, Natalia; Eisen, Moris S.","Catalytic regeneration of a Th-H bond from a Th-O bond through a mild and chemoselective carbonyl hydroboration.","Chemical communications (Cambridge, England)","2018","54","78","11001","11004","10.1039/c8cc05030a","","","0.71073","MoKα","","0.0464","0.0373","","","0.0889","0.0924","","","","","","1.074","","","","has coordinates","227990","2020-10-21","18:00:00",""
"7122284","18.619","0.006","11.246","0.002","28.548","0.009","90","","123.219","0.017","90","","5001","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris520 (Tapas)","","","- C37 H76 N6 Si6 Th -","- C37 H76 N6 Si6 Th -","- C148 H304 N24 Si24 Th4 -","4","1","","Ghatak, Tapas; Makarov, Konstantin; Fridman, Natalia; Eisen, Moris S.","Catalytic regeneration of a Th-H bond from a Th-O bond through a mild and chemoselective carbonyl hydroboration.","Chemical communications (Cambridge, England)","2018","54","78","11001","11004","10.1039/c8cc05030a","","","0.71073","MoKα","","0.0984","0.0779","","","0.1478","0.1543","","","","","","1.217","","","","has coordinates","227990","2020-10-21","18:00:00",""
"7122285","13.2268","0.001","8.5916","0.0005","15.6448","0.0013","90","","108.955","0.009","90","","1681.5","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Liao, Gang; Chen, Hao-Ming; Shi, Bing-Feng","Synthesis of phthalic acid derivatives via Pd-catalyzed alkoxycarbonylation of aromatic C-H bonds with alkyl chloroformates.","Chemical communications (Cambridge, England)","2018","54","77","10859","10862","10.1039/c8cc06663a","","","0.71073","MoKα","","0.0614","0.0426","","","0.102","0.1148","","","","","","1.034","","","","has coordinates","228064","2020-10-21","18:00:00",""
"7122286","10.7939","0.0016","13.928","0.003","6.9529","0.0013","90","","92.479","0.015","90","","1044.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 F3 N2 O3 -","- C10 H5 F3 N2 O3 -","- C40 H20 F12 N8 O12 -","4","1","","Luo, Beibei; Weng, Zhiqiang","Elemental tellurium mediated synthesis of 2-(trifluoromethyl)oxazoles using trifluoroacetic anhydride as reagent.","Chemical communications (Cambridge, England)","2018","54","76","10750","10753","10.1039/c8cc05670f","","","0.71073","MoKα","","0.0693","0.0577","","","0.1669","0.1835","","","","","","1.104","","","","has coordinates","228143","2020-10-21","18:00:00",""
"7122287","16.7303","0.001","17.878","0.002","24.095","0.002","90","","90","","90","","7206.9","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H35 F14 N O2 P4 W3 -","- C22 H35 F14 N O2 P4 W3 -","- C176 H280 F112 N8 O16 P32 W24 -","8","1","","Levason, William; Monzittu, Francesco M.; Reid, Gillian; Zhang, Wenjian","Neutral and cationic tungsten(vi) fluoride complexes with tertiary phosphine and arsine coordination.","Chemical communications (Cambridge, England)","2018","54","83","11681","11684","10.1039/c8cc05598j","","x-ray","0.71073","MoKα","","0.0678","0.0412","","","0.0863","0.1013","","","","","","1.065","","","","has coordinates","228093","2020-10-21","18:00:00",""
"7122288","13.1003","0.001","21.3132","0.001","21.3804","0.001","90","","90","","90","","5969.6","0.6","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C20 H32 As4 F12 W2 -","- C20 H32 As4 F12 W2 -","- C160 H256 As32 F96 W16 -","8","0.25","","Levason, William; Monzittu, Francesco M.; Reid, Gillian; Zhang, Wenjian","Neutral and cationic tungsten(vi) fluoride complexes with tertiary phosphine and arsine coordination.","Chemical communications (Cambridge, England)","2018","54","83","11681","11684","10.1039/c8cc05598j","","x-ray","0.71073","MoKα","","0.0539","0.0375","","","0.1036","0.1115","","","","","","1.143","","","","has coordinates","228093","2020-10-21","18:00:00",""
"7122289","12.8107","0.0004","27.467","0.001","25.2827","0.001","90","","113.746","0.002","90","","8143.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H69 F24 N7 P4 -","- C92 H69 F24 N7 P4 -","- C368 H276 F96 N28 P16 -","4","1","","Jacquot de Rouville, Henri-Pierre; Zorn, Nathalie; Leize-Wagner, Emmanuelle; Heitz, Valérie","Entwined dimer formation from self-complementary bis-acridiniums.","Chemical communications (Cambridge, England)","2018","54","78","10966","10969","10.1039/c8cc05958f","","","0.71073","MoKα","","0.1478","0.0977","","","0.2449","0.2863","","","","","","1.019","","","","has coordinates,has disorder","227987","2020-10-21","18:00:00",""
"7122290","13.8223","0.0011","25.3271","0.0017","11.6674","0.0009","90","","90","","90","","4084.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Cd N5 O12 -","- C40 H43 Cd N5 O12 -","- C160 H172 Cd4 N20 O48 -","4","1","","Zhang, Qingfu; Lei, Mingyuan; Kong, Fang; Yang, Yan","A water-stable homochiral luminescent MOF constructed from an achiral acylamide-containing dicarboxylate ligand for enantioselective sensing of penicillamine.","Chemical communications (Cambridge, England)","2018","54","77","10901","10904","10.1039/c8cc06274a","","","0.71073","MoKα","","0.1423","0.0582","","","0.1126","0.144","","","","","","1.034","","","","has coordinates","228071","2020-10-21","18:00:00",""
"7122291","13.8223","0.0011","25.3271","0.0017","11.6674","0.0009","90","","90","","90","","4084.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Cd N5 O12 -","- C40 H43 Cd N5 O12 -","- C160 H172 Cd4 N20 O48 -","4","1","","Wang, Hongyu; Man, Yunquan; Wang, Kaiye; Wan, Xiuyan; Tong, Lili; Li, Na; Tang, Bo","Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis.","Chemical communications (Cambridge, England)","2018","54","78","10989","10992","10.1039/c8cc06603e","","","0.71073","MoKα","","0.1423","0.0582","","","0.1126","0.144","","","","","","1.034","","","","has coordinates","227989","2020-10-21","18:00:00",""
"7122292","11.0472","0.0006","19.7668","0.001","12.2934","0.0006","90","","113.161","0.0018","90","","2468.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Chlorido-(1-methyl-4-isopropyl-benzene)-(N-n-butyl-(phenyl)(methylester)benzimidazol-κN,C)osmium(II)","","- C29 H33 Cl N2 O2 Os -","- C29 H33 Cl N2 O2 Os -","- C116 H132 Cl4 N8 O8 Os4 -","4","1","","Ortega, Enrique; Yellol, Jyoti G.; Rothemund, Matthias; Ballester, Francisco J.; Rodríguez, Venancio; Yellol, Gorakh; Janiak, Christoph; Schobert, Rainer; Ruiz, José","A new C,N-cyclometalated osmium(ii) arene anticancer scaffold with a handle for functionalization and antioxidative properties.","Chemical communications (Cambridge, England)","2018","54","79","11120","11123","10.1039/c8cc06427j","","","0.71073","MoKα","","0.0608","0.0407","","","0.0588","0.0632","","","","","","1.081","","","","has coordinates","228225","2020-10-21","18:00:00",""
"7122293","10.9559","0.0006","10.9932","0.0006","16.2594","0.0009","105.966","0.002","102.536","0.002","103.578","0.002","1745.05","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Acetato-(1-methyl-4-isopropyl-benzene)-(N-n-butyl-(4-biphenyl)(methylester)benzimidazol-κN,C)osmium(II)hemi-dichloromethane, hemi-toluene solvate","","- C41 H45 Cl N2 O4 Os -","- C41 H45 Cl N2 O4 Os -","- C82 H90 Cl2 N4 O8 Os2 -","2","1","","Ortega, Enrique; Yellol, Jyoti G.; Rothemund, Matthias; Ballester, Francisco J.; Rodríguez, Venancio; Yellol, Gorakh; Janiak, Christoph; Schobert, Rainer; Ruiz, José","A new C,N-cyclometalated osmium(ii) arene anticancer scaffold with a handle for functionalization and antioxidative properties.","Chemical communications (Cambridge, England)","2018","54","79","11120","11123","10.1039/c8cc06427j","","","0.71073","MoKα","","0.0333","0.0267","","","0.0511","0.053","","","","","","1.119","","","","has coordinates,has disorder","228225","2020-10-21","18:00:00",""
"7122294","11.026","0.0004","7.7415","0.0002","16.838","0.0006","90","","96.29","0.002","90","","1428.6","0.08","100","2","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0467","0.0406","","","0.1042","0.1088","","","","","","1.041","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122295","14.7749","0.0005","12.4865","0.0004","8.8566","0.0003","90","","93.211","0.001","90","","1631.36","0.09","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0415","0.0368","","","0.0957","0.099","","","","","","1.037","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122296","9.4606","0.0003","12.6354","0.0004","12.7086","0.0004","90","","105.269","0.001","90","","1465.54","0.08","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0356","0.034","","","0.0861","0.0875","","","","","","1.095","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122297","8.0186","0.0003","14.7308","0.0005","16.1335","0.0005","90","","91.803","0.002","90","","1904.75","0.11","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl3 N2 O3 -","- C19 H15 Cl3 N2 O3 -","- C76 H60 Cl12 N8 O12 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0468","0.0403","","","0.1082","0.113","","","","","","1.029","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122298","9.4533","0.0003","10.264","0.0004","11.7955","0.0004","73.208","0.002","79.209","0.002","78.894","0.002","1064.58","0.07","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O2 S -","- C25 H23 N3 O2 S -","- C50 H46 N6 O4 S2 -","2","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0453","0.0394","","","0.101","0.1044","","","","","","1.067","","","","has coordinates,has disorder","227992","2020-10-21","18:00:00",""
"7122299","8.6439","0.0003","12.4156","0.0004","40.7123","0.0013","90","","95.515","0.002","90","","4349","0.2","110","2","109.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N6 O4 S2 -","- C50 H46 N6 O4 S2 -","- C200 H184 N24 O16 S8 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.1274","0.1048","","","0.2902","0.3073","","","","","","1.08","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122300","9.456","0.0004","10.7425","0.0005","11.1944","0.0005","90","","99.483","0.002","90","","1121.6","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0434","0.0398","","","0.1092","0.1192","","","","","","1.076","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122301","8.2022","0.0006","8.6904","0.0006","12.6628","0.001","87.88","0.003","75.115","0.004","64.061","0.003","781.49","0.1","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Iyer, Akila; Ahuja, Sapna; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, Jayaraman","Conjugate addition from the excited state.","Chemical communications (Cambridge, England)","2018","54","78","11021","11024","10.1039/c8cc05924a","","","1.54178","CuKα","","0.0447","0.0407","","","0.1045","0.1079","","","","","","1.073","","","","has coordinates","227992","2020-10-21","18:00:00",""
"7122302","5.1019","0.0005","33.051","0.003","9.41","0.001","90","","92.525","0.004","90","","1585.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O4 S -","- C18 H16 N2 O4 S -","- C72 H64 N8 O16 S4 -","4","1","","Tsai, Meng-Han; Wang, Cheng-Yu; Kulandai Raj, Antony Sekar; Liu, Rai-Shung","Gold-catalyzed annulations of N-aryl ynamides with benzisoxazoles to construct 6H-indolo[2,3-b]quinoline cores.","Chemical communications (Cambridge, England)","2018","54","77","10866","10869","10.1039/c8cc04264k","","","0.71073","MoKα","","0.0821","0.0632","","","0.1114","0.1177","","","","","","1.159","","","","has coordinates","228070","2020-10-21","18:00:00",""
"7122303","17.6116","0.0019","13.4206","0.0015","10.1455","0.0011","90","","90","","90","","2398","0.5","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H28 Ce Fe N O3 -","- C28 H28 Ce Fe N O3 -","- C112 H112 Ce4 Fe4 N4 O12 -","4","0.5","","Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael","Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.","Chemical communications (Cambridge, England)","2018","54","77","10893","10896","10.1039/c8cc05243c","","","0.71073","MoKα","","0.0226","0.0195","","","0.0444","0.0464","","","","","","1.078","","","","has coordinates","228065","2020-10-21","18:00:00",""
"7122304","14.8353","0.0004","9.9906","0.0003","15.3663","0.0004","90","","90","","90","","2277.49","0.11","110","","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H23 Ce F3 N O4 S -","- C22 H23 Ce F3 N O4 S -","- C88 H92 Ce4 F12 N4 O16 S4 -","4","1","","Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael","Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.","Chemical communications (Cambridge, England)","2018","54","77","10893","10896","10.1039/c8cc05243c","","","0.71073","MoKα","","0.0425","0.0242","","","0.0453","0.052","","","","","","1.014","","","","has coordinates,has disorder","228065","2020-10-21","18:00:00",""
"7122305","9.9043","0.0003","9.2078","0.0002","20.3459","0.0006","90","","102.969","0.001","90","","1808.15","0.09","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Ce2 F6 N2 O6 S2 -","- C36 H30 Ce2 F6 N2 O6 S2 -","- C72 H60 Ce4 F12 N4 O12 S4 -","2","0.5","","Burns, Corey P.; Yang, Xin; Sung, Siyoung; Wofford, Joshua D.; Bhuvanesh, Nattamai S.; Hall, Michael B.; Nippe, Michael","Towards understanding of lanthanide-transition metal bonding: investigations of the first Ce-Fe bonded complex.","Chemical communications (Cambridge, England)","2018","54","77","10893","10896","10.1039/c8cc05243c","","","0.71073","MoKα","","0.0174","0.0165","","","0.038","0.0384","","","","","","1.186","","","","has coordinates","228065","2020-10-21","18:00:00",""
"7122306","12.5203","0.0006","19.8938","0.001","16.988","0.0009","90","","102.163","0.002","90","","4136.3","0.4","304.6","","304.6","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H45.98 N10 -","- C44 H45.98 N10 -","- C176 H183.92 N40 -","4","1","","Kim, Hyeongcheol; Hong, Kyeong-Im; Lee, Jeong Heon; Kang, Philjae; Choi, Moon-Gun; Jang, Woo-Dong","Triazole-bearing calixpyrroles: strong halide binding affinities through multiple N-H and C-H hydrogen bonds.","Chemical communications (Cambridge, England)","2018","54","77","10863","10865","10.1039/c8cc06385k","","","0.71073","MoKα","","0.1206","0.0714","","","0.1552","0.1766","","","","","","1.055","","","","has coordinates","228068","2020-10-21","18:00:00",""
"7122307","12.546","0.003","27.351","0.006","11.169","0.002","90","","93.95","0.03","90","","3823.5","1.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N10 -","- C44 H46 N10 -","- C176 H184 N40 -","4","1","","Kim, Hyeongcheol; Hong, Kyeong-Im; Lee, Jeong Heon; Kang, Philjae; Choi, Moon-Gun; Jang, Woo-Dong","Triazole-bearing calixpyrroles: strong halide binding affinities through multiple N-H and C-H hydrogen bonds.","Chemical communications (Cambridge, England)","2018","54","77","10863","10865","10.1039/c8cc06385k","","","0.63","","","0.0824","0.0533","","","0.1509","0.1745","","","","","","1.034","","","","has coordinates","228068","2020-10-21","18:00:00",""
"7122308","12.5138","0.0005","13.4439","0.0006","13.7508","0.0006","111.405","0.001","112.613","0.001","98.389","0.001","1874.72","0.14","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H37 Dy Fe N10 O8 S2 -","- C30 H33 Dy Fe N10 O8 S2 -","- C60 H66 Dy2 Fe2 N20 O16 S4 -","2","1","","Chen, Wen-Bin; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Jia, Jian-Hua; Tong, Ming-Liang","Cyclic OFF/Part/ON switching of single-molecule magnet behaviours via multistep single-crystal-to-single-crystal transformation between discrete Fe(ii)-Dy(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","77","10886","10889","10.1039/c8cc04989k","","","0.71073","MoKα","","0.042","0.0376","","","0.1022","0.1046","","","","","","1.14","","","","has coordinates,has disorder","228072","2020-10-21","18:00:00",""
"7122309","12.617","0.004","13.314","0.003","13.742","0.004","111.14","0.008","112.417","0.008","98.797","0.008","1874","0.9","298","2","298","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H35 Dy Fe N10 O7 S2 -","- C30 H31 Dy Fe N10 O5 S2 -","- C60 H62 Dy2 Fe2 N20 O10 S4 -","2","1","","Chen, Wen-Bin; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Jia, Jian-Hua; Tong, Ming-Liang","Cyclic OFF/Part/ON switching of single-molecule magnet behaviours via multistep single-crystal-to-single-crystal transformation between discrete Fe(ii)-Dy(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","77","10886","10889","10.1039/c8cc04989k","","","0.71073","MoKα","","0.1238","0.088","","","0.243","0.2776","","","","","","1.056","","","","has coordinates","228072","2020-10-21","18:00:00",""
"7122310","14.4632","0.0012","15.3659","0.0013","15.8216","0.0013","89.095","0.003","83.157","0.003","85.417","0.003","3479.9","0.5","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H58 Dy2 Fe2 N20 O8 S4 -","- C60 H58 Dy2 Fe2 N20 O8 S4 -","- C120 H116 Dy4 Fe4 N40 O16 S8 -","2","1","","Chen, Wen-Bin; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Jia, Jian-Hua; Tong, Ming-Liang","Cyclic OFF/Part/ON switching of single-molecule magnet behaviours via multistep single-crystal-to-single-crystal transformation between discrete Fe(ii)-Dy(iii) complexes.","Chemical communications (Cambridge, England)","2018","54","77","10886","10889","10.1039/c8cc04989k","","","0.71073","MoKα","","0.125","0.0772","","","0.1509","0.1824","","","","","","1.192","","","","has coordinates","228072","2020-10-21","18:00:00",""
"7122311","17.6678","0.0006","6.9371","0.0002","18.0628","0.0008","90","","91.515","0.003","90","","2213.06","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Cl2 N4 O4 Zn -","- C16 H28 Cl2 N4 O4 Zn -","- C64 H112 Cl8 N16 O16 Zn4 -","4","0.5","","Shemchuk, Oleksii; Song, Lixing; Robeyns, Koen; Braga, Dario; Grepioni, Fabrizia; Leyssens, Tom","Solid-state chiral resolution mediated by stoichiometry: crystallizing etiracetam with ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","77","10890","10892","10.1039/c8cc06199h","","x-ray","0.71073","MoKα","","0.0566","0.0425","","","0.0907","0.0982","","","","","","1.056","","","","has coordinates","228074","2020-10-21","18:00:00",""
"7122312","6.3692","0.0003","11.6771","0.0004","17.1077","0.0006","90","","98.496","0.004","90","","1258.4","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 Cl4 N4 O4 Zn2 -","- C16 H28 Cl4 N4 O4 Zn2 -","- C32 H56 Cl8 N8 O8 Zn4 -","2","1","","Shemchuk, Oleksii; Song, Lixing; Robeyns, Koen; Braga, Dario; Grepioni, Fabrizia; Leyssens, Tom","Solid-state chiral resolution mediated by stoichiometry: crystallizing etiracetam with ZnCl<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","77","10890","10892","10.1039/c8cc06199h","","x-ray","0.71073","MoKα","","0.0516","0.0435","","","0.088","0.0922","","","","","","1.001","","","","has coordinates","228074","2020-10-21","18:00:00",""
"7122313","11.8906","0.0018","8.8166","0.0014","11.2785","0.0017","90","","104.338","0.002","90","","1145.5","0.3","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N2 O -","- C11 H13 Cl N2 O -","- C44 H52 Cl4 N8 O4 -","4","1","","Yuan, Zaifeng; Zhu, Chunyu; Ma, Zhixian; Xia, Chengfeng","Copper-catalyzed amination of an α-C(sp<sup>3</sup>)-H bond in inactivated ethers to synthesize α-aminonitriles.","Chemical communications (Cambridge, England)","2018","54","78","11033","11036","10.1039/c8cc06111d","","","0.71073","MoKα","","0.0667","0.0456","","","0.1387","0.1588","","","","","","0.971","","","","has coordinates","227993","2020-10-21","18:00:00",""
"7122314","8.139","0.0005","15.8253","0.001","17.185","0.0017","90","","90","","90","","2213.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","MoKα","","0.1027","0.0546","","","0.083","0.0947","","","","","","0.9863","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122315","10.7133","0.0009","12.3487","0.0008","15.4466","0.0015","90","","98.908","0.009","90","","2018.9","0.3","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","MoKα","","0.095","0.0569","","","0.1225","0.1495","","","","","","1.016","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122316","8.3581","0.0006","22.439","0.002","14.0407","0.0011","90","","90","","90","","2633.3","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H36 N2 O5 -","- C30 H36 N2 O5 -","- C120 H144 N8 O20 -","4","0.5","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","","","0.0584","0.0421","","","0.091","0.1011","","","","","","1.029","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122317","8.4035","0.0009","22.609","0.002","14.0695","0.0018","90","","90","","90","","2673.1","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C30 H36 N2 O5 -","- C30 H36 N2 O5 -","- C120 H144 N8 O20 -","4","0.5","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","MoKα","","0.0531","0.0396","","","0.0828","0.0902","","","","","","1.0419","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122318","8.7448","0.0005","9.6069","0.0006","12.4327","0.0007","94.949","0.002","95.354","0.002","104.902","0.002","998.32","0.1","105","2","105.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Au F3 N O2 -","- C21 H23 Au F3 N O2 -","- C42 H46 Au2 F6 N2 O4 -","2","1","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Hylland, Knut; Wragg, David S.; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats","Synthesis of a (N,C,C) Au(iii) pincer complex via C<sub>sp<sup>3</sup></sub>-H bond activation: increasing catalyst robustness by rational catalyst design.","Chemical communications (Cambridge, England)","2018","54","79","11104","11107","10.1039/c8cc05489d","","","0.71073","MoKα","","0.0398","0.0326","","","0.0777","0.0808","","","","","","1.083","","","","has coordinates","228223","2020-10-21","18:00:00",""
"7122319","9.164","0.0009","10.9788","0.0011","13.5101","0.0013","87.947","0.001","72.521","0.001","76.29","0.001","1258.6","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 F3 I3 P -","- C24 H15 F3 I3 P -","- C48 H30 F6 I6 P2 -","2","1","","Xu, Yijue; Huang, Jasmine; Gabidullin, Bulat; Bryce, David L.","A rare example of a phosphine as a halogen bond acceptor.","Chemical communications (Cambridge, England)","2018","54","78","11041","11043","10.1039/c8cc06019c","","","0.71073","MoKα","","0.0373","0.0281","","","0.0568","0.0607","","","","","","1.026","","","","has coordinates","227991","2020-10-21","18:00:00",""
"7122320","14.23","0.002","10.1079","0.0014","17.79","0.002","90","","105.164","0.002","90","","2469.7","0.6","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F3 I3 O P -","- C24 H15 F3 I3 O P -","- C96 H60 F12 I12 O4 P4 -","4","1","","Xu, Yijue; Huang, Jasmine; Gabidullin, Bulat; Bryce, David L.","A rare example of a phosphine as a halogen bond acceptor.","Chemical communications (Cambridge, England)","2018","54","78","11041","11043","10.1039/c8cc06019c","","","0.71073","MoKα","","0.0386","0.0264","","","0.0573","0.0624","","","","","","1.012","","","","has coordinates","227991","2020-10-21","18:00:00",""
"7122321","12.352","0.002","14.495","0.003","24.02","0.005","98.958","0.003","92.578","0.003","111.662","0.002","3923.5","1.3","90","","90","","","","","","","","","2","P -1","-P 1","2","","","","- C99 H111 -","- C99 H111 -","- C198 H222 -","2","1","","Shimizu, Yuki; Shoji, Yoshiaki; Hashizume, Daisuke; Nagata, Yuuya; Fukushima, Takanori","Sensing the chirality of various organic solvents by helically arranged π-blades.","Chemical communications (Cambridge, England)","2018","54","87","12314","12317","10.1039/c8cc06277c","","","0.71073","MoKα","","0.0905","0.0529","","","0.1292","0.1471","","","","","","1.003","","","","has coordinates","228612","2020-10-21","18:00:00",""
"7122322","15.27587","0.00013","24.1176","0.0002","37.3535","0.0003","90","","90","","90","","13761.7","0.2","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C139 H145 Cl3 O3 Si3 -","- C139 H145 Cl3 O3 Si3 -","- C556 H580 Cl12 O12 Si12 -","4","1","","Shimizu, Yuki; Shoji, Yoshiaki; Hashizume, Daisuke; Nagata, Yuuya; Fukushima, Takanori","Sensing the chirality of various organic solvents by helically arranged π-blades.","Chemical communications (Cambridge, England)","2018","54","87","12314","12317","10.1039/c8cc06277c","","","0.71073","MoKα","","0.047","0.0398","","","0.0979","0.1016","","","","","","1.025","","","","has coordinates,has disorder","228612","2020-10-21","18:00:00",""
"7122323","13.5862","0.0003","9.993","0.0002","13.1956","0.0003","90","","94.489","0.002","90","","1786.03","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Han, Xiang-Lei; Liu, Xu-Ge; Lin, E.; Chen, Yunyun; Chen, Zhuangzhong; Wang, Honggen; Li, Qingjiang","Cp*Co(iii)-Catalyzed oxidative [5+2] annulation: regioselective synthesis of 2-aminobenzoxepines via C-H/O-H functionalization of 2-vinylphenols with ynamides.","Chemical communications (Cambridge, England)","2018","54","82","11562","11565","10.1039/c8cc06807k","","x-ray","1.54184","CuKα","","0.036","0.0343","","","0.092","0.0933","","","","","","1.047","","","","has coordinates","228620","2020-10-21","18:00:00",""
"7122324","8.5374","0.0003","10.4577","0.0003","18.7809","0.0006","90","","97.412","0.003","90","","1662.78","0.09","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N2 O5 S -","- C15 H17 Cl N2 O5 S -","- C60 H68 Cl4 N8 O20 S4 -","4","1","","Han, Xiang-Lei; Liu, Xu-Ge; Lin, E.; Chen, Yunyun; Chen, Zhuangzhong; Wang, Honggen; Li, Qingjiang","Cp*Co(iii)-Catalyzed oxidative [5+2] annulation: regioselective synthesis of 2-aminobenzoxepines via C-H/O-H functionalization of 2-vinylphenols with ynamides.","Chemical communications (Cambridge, England)","2018","54","82","11562","11565","10.1039/c8cc06807k","","x-ray","1.54184","CuKα","","0.0448","0.0417","","","0.1093","0.1116","","","","","","1.077","","","","has coordinates","228620","2020-10-21","18:00:00",""
"7122325","20.97","0.002","7.2564","0.0006","17.3888","0.0017","90","","106.224","0.01","90","","2540.6","0.4","290.04","0.1","290.04","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N5 -","- C13 H17 N5 -","- C104 H136 N40 -","8","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","x-ray","1.54184","CuKα","","0.0619","0.0453","","","0.1099","0.1257","","","","","","1.06","","","","has coordinates","228224","2020-10-21","18:00:00",""
"7122326","10.2177","0.001","11.0976","0.0011","19.154","0.002","90","","90","","90","","2171.9","0.4","189","17","189","17","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C88 H104 N40 -","8","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","","0.71073","MoKα","","0.1215","0.0621","","","0.1319","0.1694","","","","","","0.983","","","","has coordinates","228224","2020-10-21","18:00:00",""
"7122327","10.7182","0.0008","7.0388","0.0005","14.6427","0.0012","90","","90.42","0.007","90","","1104.66","0.15","295.05","0.1","295.05","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","","0.71073","MoKα","","0.0953","0.0629","","","0.1444","0.1808","","","","","","1.057","","","","has coordinates","228224","2020-10-21","18:00:00",""
"7122328","6.8335","0.0013","9.1979","0.0015","10.0075","0.0017","94.814","0.014","103.101","0.015","96.922","0.014","604.13","0.19","292.55","0.1","292.55","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C11 H19 N5 -","- C11 H19 N5 -","- C22 H38 N10 -","2","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","","0.71073","MoKα","","0.0963","0.0627","","","0.142","0.1699","","","","","","1.068","","","","has coordinates,has disorder","228224","2020-10-21","18:00:00",""
"7122329","12.0745","0.0008","9.2802","0.0007","11.0512","0.0006","90","","96.656","0.005","90","","1229.98","0.14","173","0.1","173","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N5 -","- C13 H15 N5 -","- C52 H60 N20 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min","Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.","Chemical communications (Cambridge, England)","2018","54","79","11148","11151","10.1039/c8cc06324a","","","0.71073","MoKα","","0.0591","0.0459","","","0.1019","0.1112","","","","","","1.116","","","","has coordinates","228224","2020-10-21","18:00:00",""
"7122330","7.4062","0.0002","15.555","0.0005","27.3276","0.0009","90","","96.466","0.002","90","","3128.21","0.17","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O6 -","- C34 H40 N2 O6 -","- C136 H160 N8 O24 -","4","1","","Núñez-Villanueva, Diego; Jinks, Michael A.; Gómez Magenti, Jorge; Hunter, Christopher A.","Ultrasound-induced gelation of a giant macrocycle.","Chemical communications (Cambridge, England)","2018","54","77","10874","10877","10.1039/c8cc04742a","","","1.54178","CuKα","","0.051","0.039","","","0.0915","0.0983","","","","","","1.048","","","","has coordinates","228069","2020-10-21","18:00:00",""
"7122331","15.0291","0.001","19.9303","0.0019","18.7135","0.0017","90","","110.869","0.005","90","","5237.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DS-245","","","- C56 H74 N4 O2 Si2 Yb -","- C56 H74 N4 O2 Si2 Yb -","- C224 H296 N16 O8 Si8 Yb4 -","4","1","","Schuhknecht, Danny; Truong, Khai-Nghi; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Molecular hydrides of divalent ytterbium supported by a macrocyclic ligand: synthesis, structure and olefin hydrofunctionalization catalysis.","Chemical communications (Cambridge, England)","2018","54","80","11280","11283","10.1039/c8cc05152f","","","0.71073","MoKα","","0.1302","0.077","","","0.1842","0.2036","","","","","","1.045","","","","has coordinates","228366","2020-10-21","18:00:00",""
"7122332","12.394","0.0014","13.0452","0.0016","19.0172","0.0019","102.769","0.005","92.103","0.006","94.209","0.005","2986.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DS602a (n17_b03)","","","- C63 H95 B N4 O3 Yb -","- C63 H95 B N4 O3 Yb -","- C126 H190 B2 N8 O6 Yb2 -","2","1","","Schuhknecht, Danny; Truong, Khai-Nghi; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Molecular hydrides of divalent ytterbium supported by a macrocyclic ligand: synthesis, structure and olefin hydrofunctionalization catalysis.","Chemical communications (Cambridge, England)","2018","54","80","11280","11283","10.1039/c8cc05152f","","","0.71073","MoKα","","0.0865","0.0596","","","0.1368","0.1515","","","","","","1.004","","","","has coordinates","228366","2020-10-21","18:00:00",""
"7122333","22.3771","0.0009","12.7674","0.0005","35.4193","0.0014","90","","102.023","0.0007","90","","9897.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DS-Yb2H2 (n17_b39_sq)","","","- C204 H316 B4 N16 O7 Yb4 -","- C204 H316 B4 N16 O7 Yb4 -","- C408 H632 B8 N32 O14 Yb8 -","2","0.5","","Schuhknecht, Danny; Truong, Khai-Nghi; Spaniol, Thomas P.; Maron, Laurent; Okuda, Jun","Molecular hydrides of divalent ytterbium supported by a macrocyclic ligand: synthesis, structure and olefin hydrofunctionalization catalysis.","Chemical communications (Cambridge, England)","2018","54","80","11280","11283","10.1039/c8cc05152f","","","0.71073","MoKα","","0.0494","0.0353","","","0.0755","0.0806","","","","","","1.03","","","","has coordinates,has disorder","228366","2020-10-21","18:00:00",""
"7122334","12.3599","0.0006","12.6609","0.0006","21.029","0.0011","88.8639","0.0011","77.3174","0.0011","79.3741","0.0011","3154.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","U(N2CPh2)(TIG)3","","","- C57 H106 N11 U -","- C57 H106 N11 U -","- C114 H212 N22 U2 -","2","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.0376","0.0315","","","0.0726","0.075","","","","","","1.115","","","","has coordinates","228067","2020-10-21","18:00:00",""
"7122335","13.0981","0.0002","13.2024","0.0002","17.7597","0.0002","96.101","0.001","103.866","0.001","119.638","0.001","2497.88","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","U(N3)(TIG)3","","","- C39 H84 N12 U -","- C39 H84 N12 U -","- C78 H168 N24 U2 -","2","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.0267","0.0232","","","0.0515","0.0522","","","","","","1.041","","","","has coordinates","228067","2020-10-21","18:00:00",""
"7122336","13.289","0.0011","19.9565","0.0016","18.7099","0.0014","90","","110.091","0.003","90","","4660","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","U(TIG)3","","","- C39 H84 N9 U -","- C39 H84 N9 U -","- C156 H336 N36 U4 -","4","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.0389","0.0295","","","0.0589","0.0622","","","","","","1.089","","","","has coordinates","228067","2020-10-21","18:00:00",""
"7122337","11.6454","0.0004","37.8373","0.001","13.3431","0.0004","90","","109.795","0.003","90","","5532","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UCl(TIG)3","","","- C48 H105 Cl N9 U -","- C48 H105 Cl N9 U -","- C192 H420 Cl4 N36 U4 -","4","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.0593","0.0395","","","0.083","0.088","","","","","","1.042","","","","has coordinates,has disorder","228067","2020-10-21","18:00:00",""
"7122338","39.246","0.004","14.3692","0.0016","19.965","0.002","90","","109.062","0.009","90","","10642","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U(Nptolyl)(TIG)3","","","- C49 H98 N10 U -","- C49 H98 N10 U -","- C392 H784 N80 U8 -","8","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.0523","0.0424","","","0.0987","0.1043","","","","","","1.07","","","","has coordinates","228067","2020-10-21","18:00:00",""
"7122339","19.9133","0.0019","12.7998","0.0016","19.1902","0.0016","90","","109.856","0.004","90","","4600.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UO(TIG)3","","","- C39 H84 N9 O U -","- C39 H84 N9 O U -","- C156 H336 N36 O4 U4 -","4","1","","Settineri, Nicholas S.; Shiau, Angela A.; Arnold, John","Two-electron oxidation of a homoleptic U(iii) guanidinate complex by diphenyldiazomethane.","Chemical communications (Cambridge, England)","2018","54","77","10913","10916","10.1039/c8cc06514d","","","0.71073","MoKα","","0.024","0.0184","","","0.0404","0.0427","","","","","","1.031","","","","has coordinates","228067","2020-10-21","18:00:00",""
"7122340","21.356","0.005","13.467","0.005","22.171","0.005","90","0.005","110.931","0.005","90","0.005","5956","3","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H46 F12 N8 O P2 S2 Zn -","- C62 H44 F12 N8 O P2 S2 Zn -","- C248 H176 F48 N32 O4 P8 S8 Zn4 -","4","1","","Shen, Yu; Shao, Tao; Fang, Bin; Du, Wei; Zhang, Mingzhu; Liu, Jiejie; Liu, Tianyan; Tian, Xiaohe; Zhang, Qiong; Wang, Aidong; Yang, Jiaxiang; Wu, Jieying; Tian, Yupeng","Visualization of mitochondrial DNA in living cells with super-resolution microscopy using thiophene-based terpyridine Zn(ii) complexes.","Chemical communications (Cambridge, England)","2018","54","80","11288","11291","10.1039/c8cc06276e","","","0.71069","MoKα","","0.1573","0.0664","","","0.1631","0.2165","","","","","","1.021","","","","has coordinates","228362","2020-10-21","18:00:00",""
"7122341","4.4516","0.001","6.7274","0.0016","11.4945","0.0018","86.957","0.009","83.772","0.008","77.68","0.011","334.16","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","DAAQH2","N,N?-Dimethyl-2,6-Diaza-9,10-Anthrahydroquinonediium","","- C14 H14 Cl2 N2 O2 -","- C14 H14 Cl2 N2 O2 -","- C14 H14 Cl2 N2 O2 -","1","0.5","","Kolesnichenko, Igor V.; Escamilla, P. Rogelio; Michael, Jason A.; Lynch, Vincent M.; Vanden Bout, David A.; Anslyn, Eric V.","Hydrogen peroxide production via a redox reaction of N,N'-dimethyl-2,6-diaza-9,10-anthraquinonediium by addition of bisulfite.","Chemical communications (Cambridge, England)","2018","54","79","11204","11207","10.1039/c8cc05548c","","","1.54184","CuKα","","0.0431","0.0429","","","0.127","0.1273","","","","","","1.126","","","","has coordinates","228221","2020-10-21","18:00:00",""
"7122342","12.2322","0.0013","15.6754","0.0016","24.857","0.003","90","","90","","90","","4766.2","0.9","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C256 H184 N8 O16 -","8","1","","Kong, Lingkai; Wang, Mengdan; Wang, Ye; Song, Bo; Yang, Yajie; Yao, Qiyi; Li, Yanzhong","Merging base-promoted C-C bond cleavage and iron-catalyzed skeletal rearrangement involving C-C/C-H bond activation: synthesis of highly functionalized carbazoles.","Chemical communications (Cambridge, England)","2018","54","78","11009","11012","10.1039/c8cc06074f","","","0.71073","MoKα","","0.084","0.0428","","","0.1055","0.1384","","","","","","1.085","","","","has coordinates","227986","2020-10-21","18:00:00",""
"7122343","12.3437","0.0014","8.8269","0.001","21.695","0.002","90","","90.191","0.003","90","","2363.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C128 H92 N4 O8 -","4","1","","Kong, Lingkai; Wang, Mengdan; Wang, Ye; Song, Bo; Yang, Yajie; Yao, Qiyi; Li, Yanzhong","Merging base-promoted C-C bond cleavage and iron-catalyzed skeletal rearrangement involving C-C/C-H bond activation: synthesis of highly functionalized carbazoles.","Chemical communications (Cambridge, England)","2018","54","78","11009","11012","10.1039/c8cc06074f","","","0.71073","MoKα","","0.0655","0.0447","","","0.1131","0.1259","","","","","","1.016","","","","has coordinates","227986","2020-10-21","18:00:00",""
"7122344","12.5424","0.0004","9.1677","0.0003","22.0679","0.0008","90","","104.02","0.001","90","","2461.89","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C128 H100 N4 O8 -","4","1","","Kong, Lingkai; Wang, Mengdan; Wang, Ye; Song, Bo; Yang, Yajie; Yao, Qiyi; Li, Yanzhong","Merging base-promoted C-C bond cleavage and iron-catalyzed skeletal rearrangement involving C-C/C-H bond activation: synthesis of highly functionalized carbazoles.","Chemical communications (Cambridge, England)","2018","54","78","11009","11012","10.1039/c8cc06074f","","","0.71073","MoKα","","0.071","0.0469","","","0.113","0.1329","","","","","","1.03","","","","has coordinates","227986","2020-10-21","18:00:00",""
"7122345","13.1322","0.0004","18.0792","0.0005","11.7504","0.0003","90","","102.654","0.001","90","","2722.01","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C128 H100 N4 O8 -","4","1","","Kong, Lingkai; Wang, Mengdan; Wang, Ye; Song, Bo; Yang, Yajie; Yao, Qiyi; Li, Yanzhong","Merging base-promoted C-C bond cleavage and iron-catalyzed skeletal rearrangement involving C-C/C-H bond activation: synthesis of highly functionalized carbazoles.","Chemical communications (Cambridge, England)","2018","54","78","11009","11012","10.1039/c8cc06074f","","","0.71073","MoKα","","0.0668","0.0577","","","0.1729","0.1802","","","","","","1.061","","","","has coordinates","227986","2020-10-21","18:00:00",""
"7122346","31.845","0.004","10.2834","0.0006","15.723","0.002","90","","118.864","0.019","90","","4509.2","1.2","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H27 B9 N2 O -","- C13 H27 B9 N2 O -","- C104 H216 B72 N16 O8 -","8","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","0.71073","MoKα","","0.1195","0.0823","","","0.2421","0.2862","","","","","","1.051","","","","has coordinates","228197","2020-10-21","18:00:00",""
"7122347","11.6821","0.001","16.6672","0.0016","16.3779","0.0011","90","","110.407","0.009","90","","2988.8","0.5","149.9","","149.9","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 B9 N2 Na O6 -","- C19 H38 B9 N2 Na O6 -","- C76 H152 B36 N8 Na4 O24 -","4","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","0.71073","MoKα","","0.1276","0.0971","","","0.2546","0.282","","","","","","1.044","","","","has coordinates,has disorder","228197","2020-10-21","18:00:00",""
"7122348","7.9588","0.0002","22.66","0.0004","18.5609","0.0003","90","","90.433","0.001","90","","3347.3","0.12","170","2","170","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H49 B9 N2 O -","- C29 H49 B9 N2 O -","- C116 H196 B36 N8 O4 -","4","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","1.34139","GaKα","","0.0341","0.0333","","","0.085","0.0857","","","","","","1.063","","","","has coordinates","228197","2020-10-21","18:00:00",""
"7122349","14.3755","0.0008","11.2861","0.0006","51.571","0.003","90","","90","","90","","8367.1","0.8","170","2","170","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H25 B9 N Na O5 S2 -","- C11 H25 B9 N Na O5 S2 -","- C88 H200 B72 N8 Na8 O40 S16 -","8","1","","Liang, Xuewei; Shen, Yunjun; Zhang, Kang; Liu, Jiyong; Duttwyler, Simon","Rhodium(iii)-catalyzed dehydrogenative dialkenylation of the monocarba-closo-decaborate cluster by regioselective B-H activation.","Chemical communications (Cambridge, England)","2018","54","88","12451","12454","10.1039/c8cc05983g","","","1.34139","GaKα","","0.1897","0.165","","","0.3796","0.3961","","","","","","0.924","","","","has coordinates","228197","2020-10-21","18:00:00",""
"7122350","9.8881","0.0005","15.6504","0.0009","20.0289","0.0011","69.061","0.005","85.977","0.005","75.978","0.005","2808.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H71 Cl3 Co N9 O14 -","- C52.138 H72 Cl3 Co N9 O14.138 -","- C104.276 H144 Cl6 Co2 N18 O28.276 -","2","1","","Liu, Dong-Cheng; Wang, Hong-Juan; Wang, Jia-Wei; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Highly efficient and selective visible-light driven CO<sub>2</sub>-to-CO conversion by a Co-based cryptate in H<sub>2</sub>O/CH<sub>3</sub>CN solution.","Chemical communications (Cambridge, England)","2018","54","80","11308","11311","10.1039/c8cc04892d","","","1.54178","CuKα","","0.0987","0.0799","","","0.2157","0.2338","","","","","","1.045","","","","has coordinates,has disorder","228365","2020-10-21","18:00:00",""
"7122351","7.3857","0.0003","7.4524","0.0003","27.7545","0.0009","82.335","0.003","89.173","0.003","60.856","0.004","1320.06","0.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","1B","","- C14 H5 Au F5 N O2 -","- C14 H5 Au F5 N O2 -","- C56 H20 Au4 F20 N4 O8 -","4","2","","Seki, Tomohiro; Kobayashi, Koh; Mashimo, Takaki; Ito, Hajime","A gold isocyanide complex with a pendant carboxy group: orthogonal molecular arrangements and hypsochromically shifted luminescent mechanochromism.","Chemical communications (Cambridge, England)","2018","54","79","11136","11139","10.1039/c8cc06490c","","x-ray","0.71073","MoKα","","0.0797","0.0781","","","0.2361","0.2388","","","","","","1.106","","","","has coordinates","228220","2020-10-21","18:00:00",""
"7122352","7.2397","0.0002","7.3439","0.0002","12.3992","0.0003","77.44","0.002","75.353","0.002","71.305","0.003","597.43","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","2B","","- C13 H5 Au F5 N -","- C13 H5 Au F5 N -","- C26 H10 Au2 F10 N2 -","2","1","","Seki, Tomohiro; Kobayashi, Koh; Mashimo, Takaki; Ito, Hajime","A gold isocyanide complex with a pendant carboxy group: orthogonal molecular arrangements and hypsochromically shifted luminescent mechanochromism.","Chemical communications (Cambridge, England)","2018","54","79","11136","11139","10.1039/c8cc06490c","","x-ray","0.71073","MoKα","","0.0187","0.0178","","","0.0438","0.044","","","","","","1.057","","","","has coordinates","228220","2020-10-21","18:00:00",""
"7122353","13.4101","0.0009","7.7601","0.0005","13.0837","0.0012","90","","97.493","0.007","90","","1349.91","0.18","93","","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","1R","","- C14 H5 Au F5 N O2 -","- C14 H5 Au F5 N O2 -","- C56 H20 Au4 F20 N4 O8 -","4","1","","Seki, Tomohiro; Kobayashi, Koh; Mashimo, Takaki; Ito, Hajime","A gold isocyanide complex with a pendant carboxy group: orthogonal molecular arrangements and hypsochromically shifted luminescent mechanochromism.","Chemical communications (Cambridge, England)","2018","54","79","11136","11139","10.1039/c8cc06490c","","x-ray","1.54184","CuKα","","0.0676","0.0633","","","0.1704","0.1942","","","","","","1.101","","","","has coordinates","228220","2020-10-21","18:00:00",""
"7122354","40.77","0.002","8.4491","0.0004","43.181","0.002","90","","110.199","0.002","90","","13959.8","1.2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Co N2 O2 -","- C22 H16 Co N2 O2 -","- C704 H512 Co32 N64 O64 -","32","4","","Hickson, James R.; Horsewill, Samuel J.; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The semiquinone radical anion of 1,10-phenanthroline-5,6-dione: synthesis and rare earth coordination chemistry.","Chemical communications (Cambridge, England)","2018","54","80","11284","11287","10.1039/c8cc05591b","","","0.71073","MoKα","","0.098","0.0631","","","0.1293","0.1425","","","","","","1.087","","","","has coordinates","228364","2020-10-21","18:00:00",""
"7122355","9.4592","0.0004","18.0502","0.0007","20.2671","0.0008","90","","90","","90","","3460.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Co N2 O2 -","- C22 H17 Co N2 O2 -","- C176 H136 Co8 N16 O16 -","8","2","","Hickson, James R.; Horsewill, Samuel J.; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The semiquinone radical anion of 1,10-phenanthroline-5,6-dione: synthesis and rare earth coordination chemistry.","Chemical communications (Cambridge, England)","2018","54","80","11284","11287","10.1039/c8cc05591b","","x-ray","1.54184","CuKα","","0.0834","0.0566","","","0.134","0.1515","","","","","","1.019","","","","has coordinates","228364","2020-10-21","18:00:00",""
"7122356","5.8882","0.0007","16.418","0.003","18.894","0.003","90","","95.016","0.005","90","","1819.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-amino-3,4-bis(4-methoxyphenyl)-1H-isochromen-1-one","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Mayakrishnan, Sivakalai; Arun, Yuvaraj; Uma Maheswari, Narayanan; Perumal, Paramasivan Thirumalai","Rhodium(iii)-catalysed decarbonylative annulation through C-H activation: expedient access to aminoisocoumarins by weak coordination.","Chemical communications (Cambridge, England)","2018","54","84","11889","11892","10.1039/c8cc07167e","","","0.71073","MoKα","","0.1451","0.0577","","","0.1308","0.1748","","","","","","1.001","","","","has coordinates","228481","2020-10-21","18:00:00",""
"7122357","12.569","0.0003","7.6182","0.0002","17.8411","0.0004","90","","104.161","0.001","90","","1656.43","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C72 H68 Br4 N8 O8 -","4","1","","Taneja, Neha; Peddinti, Rama Krishna","Metal-free direct C-arylation of 1,3-dicarbonyl compounds and ethyl cyanoacetate: a platform to access diverse arrays of meta-functionalized phenols.","Chemical communications (Cambridge, England)","2018","54","81","11423","11426","10.1039/c8cc06235h","","","0.71073","MoKα","","0.0711","0.04","","","0.1176","0.1433","","","","","","1.085","","","","has coordinates","228110","2020-10-21","18:00:00",""
"7122358","15.2798","0.0014","7.4691","0.0007","10.9358","0.001","90","","110.462","0.003","90","","1169.32","0.19","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Mg7 N22 Si9 Sr8 -","- Mg7 N22 Si9 Sr8 -","- Mg14 N44 Si18 Sr16 -","2","0.25","","Li, Chao; Zheng, Hong-Wei; Wei, Heng-Wei; Su, Jie; Liao, Fu-Hui; Zhang, Zhen-Yi; Xu, Ling; Yang, Zu-Pei; Wang, Xiao-Ming; Jiao, Huan","Narrow-band blue emitting nitridomagnesosilicate phosphor Sr<sub>8</sub>Mg<sub>7</sub>Si<sub>9</sub>N<sub>22</sub>:Eu<sup>2+</sup> for phosphor-converted LEDs.","Chemical communications (Cambridge, England)","2018","54","82","11598","11601","10.1039/c8cc07218c","","","0.71073","MoKα","","0.0745","0.0711","","","0.1673","0.1689","","","","","","1.042","","","","has coordinates","228617","2020-10-21","18:00:00",""
"7122359","15.8573","0.0006","15.8573","0.0006","15.8573","0.0006","90","","90","","90","","3987.4","0.3","296","2","296","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C72 Mn12 O48 S3 -","- C72 Mn12 O48 S3 -","- C72 Mn12 O48 S3 -","1","0.0208333","","Yang, Huajun; Luo, Min; Wu, Zhou; Wang, Wei; Xue, Chaozhuang; Wu, Tao","A semiconducting metal-chalcogenide-organic framework with square-planar tetra-coordinated sulfur.","Chemical communications (Cambridge, England)","2018","54","80","11272","11275","10.1039/c8cc06997b","","","0.71073","MoKα","","0.0383","0.0347","","","0.098","0.1004","","","","","","1.019","","","","has coordinates","228363","2020-10-21","18:00:00",""
"7122360","36.295","0.0019","25.304","0.0008","20.4575","0.0006","90","","116.08","0.004","90","","16875.3","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H66 Cu3 O15 -","- C78 H66 Cu3 O15 -","- C624 H528 Cu24 O120 -","8","1","","Chen, Gong-Jun; Chen, Chao-Qun; Li, Xue-Tian; Ma, Hui-Chao; Dong, Yu-Bin","Cu<sub>3</sub>L<sub>2</sub> metal-organic cages for A<sup>3</sup>-coupling reactions: reversible coordination interaction triggered homogeneous catalysis and heterogeneous recovery.","Chemical communications (Cambridge, England)","2018","54","82","11550","11553","10.1039/c8cc07208f","","","1.54178","CuKα","","0.1857","0.1466","","","0.404","0.449","","","","","","1.72","","","","has coordinates","228618","2020-10-21","18:00:00",""
"7122361","19.5003","0.001","22.2603","0.0015","22.4658","0.0013","62.026","0.006","88.05","0.004","65.547","0.006","7682.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C150 H103 Cl12 Cu6 O24 -","- C150 H103 Cl12 Cu6 O24 -","- C300 H206 Cl24 Cu12 O48 -","2","1","","Chen, Gong-Jun; Chen, Chao-Qun; Li, Xue-Tian; Ma, Hui-Chao; Dong, Yu-Bin","Cu<sub>3</sub>L<sub>2</sub> metal-organic cages for A<sup>3</sup>-coupling reactions: reversible coordination interaction triggered homogeneous catalysis and heterogeneous recovery.","Chemical communications (Cambridge, England)","2018","54","82","11550","11553","10.1039/c8cc07208f","","","1.54178","CuKα","","0.2475","0.17","","","0.4702","0.3176","","","","","","1.625","","","","has coordinates","228618","2020-10-21","18:00:00",""
"7122362","13.7382","0.0004","33.2731","0.0008","18.3424","0.0005","90","","110.79","0.003","90","","7838.6","0.4","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","gold3 iminoformyl","","- C82 H106 Au2 N4 O5 -","- C82 H108 Au2 N4 O5 -","- C328 H432 Au8 N16 O20 -","4","1","","Fernandez-Cestau, Julio; Rocchigiani, Luca; Pintus, Anna; Rama, Raquel J.; Budzelaar, Peter H. M.; Bochmann, Manfred","Isocyanide insertion into Au-H bonds: first gold iminoformyl complexes.","Chemical communications (Cambridge, England)","2018","54","81","11447","11450","10.1039/c8cc06409a","","x-ray","0.71073","MoKα","","0.0775","0.067","","","0.1327","0.137","","","","","","1.332","","","","has coordinates,has disorder","228112","2020-10-21","18:00:00",""
"7122363","14.1675","0.0013","15.6425","0.0013","15.7252","0.0014","74.352","0.003","89.153","0.003","79.49","0.003","3297.3","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","UO2 2 tBu","","- C118 H100 D48 N6 O20 S8 U2 -","- C118 H100 D48 N6 O20 S8 U2 -","- C118 H100 D48 N6 O20 S8 U2 -","1","0.5","","Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark","Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes","Chemical Communications","2018","","","","","10.1039/C8CC07269H","","","0.71073","MoKα","","0.0727","0.0531","","","0.128","0.1375","","","","","","1.046","","","","has coordinates,has disorder","211092","2020-10-21","18:00:00",""
"7122364","29.7978","0.0013","29.7978","0.0013","21.0965","0.001","90","","90","","90","","18731.8","1.5","90","","90","","","","","","","","","5","I 41/a","-I 4ad","88","","UO2 4 tOct Ph","","- C42 H49 N2 O5 U -","- C42 H49 N2 O5 U -","- C672 H784 N32 O80 U16 -","16","","","Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark","Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes","Chemical Communications","2018","","","","","10.1039/C8CC07269H","","","0.71073","MoKα","","0.0898","0.052","","","0.124","0.1479","","","","","","1.034","","","","has coordinates,has disorder","211092","2020-10-21","18:00:00",""
"7122365","14.0254","0.0019","16.697","0.003","18","0.003","69.218","0.004","72.211","0.004","83.081","0.004","3752.2","1.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C156 H206 N6 O22 U2 -","- C156 H206 N6 O22 U2 -","- C156 H206 N6 O22 U2 -","1","0.5","","Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark","Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes","Chemical Communications","2018","","","","","10.1039/C8CC07269H","","","0.71073","MoKα","","0.073","0.0589","","","0.1468","0.158","","","","","","1.038","","","","has coordinates,has disorder","276338","2022-06-28","15:50:00",""
"7122366","35.7713","0.0016","35.7713","0.0016","28.7439","0.0013","90","","90","","90","","36780","3","90","","90","","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","UO2 4 tBu Ph","","- C68 H68 N4 O10 U2 -","- C68 H68 N4 O10 U2 -","- C1088 H1088 N64 O160 U32 -","16","","","Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark","Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes","Chemical Communications","2018","","","","","10.1039/C8CC07269H","","","0.71073","MoKα","","0.1035","0.0569","","","0.121","0.1522","","","","","","1.066","","","","has coordinates,has disorder","211092","2020-10-21","18:00:00",""
"7122367","6.8229","0.0003","24.8007","0.0012","15.1265","0.0007","90","","100.932","0.004","90","","2513.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O2 S -","- C31 H27 N O2 S -","- C124 H108 N4 O8 S4 -","4","1","","Gillbard, Simone M.; Chung, Chieh-Hsu; Karad, Somnath Narayan; Panchal, Heena; Lewis, William; Lam, Hon Wai","Synthesis of multisubstituted pyrroles by nickel-catalyzed arylative cyclizations of N-tosyl alkynamides.","Chemical communications (Cambridge, England)","2018","54","83","11769","11772","10.1039/c8cc06649c","","x-ray","1.54184","CuKα","","0.0562","0.0482","","","0.1235","0.1305","","","","","","1.071","","","","has coordinates","228095","2020-10-21","18:00:00",""
"7122368","30.9656","0.0006","15.6428","0.0003","29.8532","0.0005","90","","113.368","0.002","90","","13274.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 N13.5 O8 Zn2 -","- C54 H42 N16 O8 Zn2 -","- C432 H336 N128 O64 Zn16 -","8","1","","Fu, Hong-Ru; Wang, Ning; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Fei","Spatial confinement of a cationic MOF: a SC-SC approach for high capacity Cr(vi)-oxyanion capture in aqueous solution.","Chemical communications (Cambridge, England)","2018","54","82","11645","11648","10.1039/c8cc05990j","","","1.54184","CuKα","","0.0583","0.0479","","","0.1438","0.1531","","","","","","1.071","","","","has coordinates","228621","2020-10-21","18:00:00",""
"7122369","30.349","0.012","15.649","0.006","30.83","0.013","90","","113.41","0.018","90","","13437","9","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H84 Cr3 N28 O14 Zn4 -","- C108 H84 Cr3 N28 O14 Zn4 -","- C432 H336 Cr12 N112 O56 Zn16 -","4","0.5","","Fu, Hong-Ru; Wang, Ning; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Fei","Spatial confinement of a cationic MOF: a SC-SC approach for high capacity Cr(vi)-oxyanion capture in aqueous solution.","Chemical communications (Cambridge, England)","2018","54","82","11645","11648","10.1039/c8cc05990j","","","0.71073","MoKα","","0.1226","0.0965","","","0.2572","0.2791","","","","","","1.062","","","","has coordinates","228621","2020-10-21","18:00:00",""
"7122370","15.19917","0.00012","13.84434","0.00012","21.58924","0.00015","90","","90","","90","","4542.86","0.06","100","2","100.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H28 B Fe N7 S -","- C21 H28 B Fe N7 S -","- C168 H224 B8 Fe8 N56 S8 -","8","1","","Fischer, Anne A.; Lindeman, Sergey V.; Fiedler, Adam T.","A synthetic model of the nonheme iron-superoxo intermediate of cysteine dioxygenase.","Chemical communications (Cambridge, England)","2018","54","80","11344","11347","10.1039/c8cc06247a","","x-ray","1.54184","CuKα","","0.0265","0.0245","","","0.0629","0.0643","","","","","","1.035","","","","has coordinates","228361","2020-10-21","18:00:00",""
"7122371","15.635","0.016","15.853","0.016","20.76","0.02","76.822","0.014","87.31","0.014","85.63","0.014","4993","9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H114 N10 O18 -","- C97 H114 N10 O18 -","- C194 H228 N20 O36 -","2","1","","Zeng, Xianqiang; Deng, Hongmei; Jia, Xueshun; Cui, Lei; Li, Jian; Li, Chunju; Fang, Jianhui","Construction of [2]rotaxane-based supramolecular polymers driven by wheel-stopper ππ interactions.","Chemical communications (Cambridge, England)","2018","54","82","11634","11637","10.1039/c8cc07188h","","","0.71073","MoKα","","0.1585","0.0658","","","0.1737","0.2077","","","","","","0.908","","","","has coordinates","228619","2020-10-21","18:00:00",""
"7122372","8.9248","0.0005","11.0144","0.0006","12.8073","0.0007","107.95","0.005","91.426","0.004","100.556","0.004","1172.96","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H18 F3 N O4 S -","- C27 H18 F3 N O4 S -","- C54 H36 F6 N2 O8 S2 -","2","1","","Mule, Ravindra D.; Shaikh, Aslam C.; Gade, Amol B.; Patil, Nitin T.","A new class of N-doped ionic PAHs via intramolecular [4+2]-cycloaddition between arylpyridines and alkynes.","Chemical communications (Cambridge, England)","2018","54","84","11909","11912","10.1039/c8cc05743e","","x-ray","0.71073","MoKα","","0.1411","0.0988","","","0.2859","0.3199","","","","","","1.065","","","","has coordinates","228479","2020-10-21","18:00:00",""
"7122373","9.0551","0.0003","29.5519","0.0009","20.7844","0.0006","90","","99.425","0.003","90","","5486.7","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H21 F3 N3 O3 S -","- C31 H20 F3 N O4 S -","- C248 H160 F24 N8 O32 S8 -","8","1","","Mule, Ravindra D.; Shaikh, Aslam C.; Gade, Amol B.; Patil, Nitin T.","A new class of N-doped ionic PAHs via intramolecular [4+2]-cycloaddition between arylpyridines and alkynes.","Chemical communications (Cambridge, England)","2018","54","84","11909","11912","10.1039/c8cc05743e","","x-ray","0.71073","MoKα","","0.0888","0.0677","","","0.201","0.2198","","","","","","1.082","","","","has coordinates","228479","2020-10-21","18:00:00",""
"7122374","23.686","0.005","23.686","","23.686","","90","","90","","90","","13288","3","296","2","296.15","","","","","","","","","4","P n -3 n","-P 4a 2bc 3","222","","","","- C80 H80 Ag18 Cl -","- C80 H80 Ag18 Cl -","- C480 H480 Ag108 Cl6 -","6","","","Zhang, Shanshan; Su, Hai-Feng; Zhuang, Gui-lin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lansun","A Hexadecanuclear Silver Alkynyl Cluster Based NbO Framework with Triple Emissions from Visible to Near-Infrared II Region","Chemical Communications","2018","","","","","10.1039/C8CC06683C","","","0.71073","MoKα","","0.1605","0.0637","","","0.1519","0.2347","","","","","","1.012","","","","has coordinates","211162","2020-10-21","18:00:00",""
"7122375","13.2482","0.0009","8.2243","0.0004","10.2827","0.0007","90","","111.265","0.003","90","","1044.09","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Mathew, Bijo; Baek, Seung Cheol; Grace Thomas Parambi, Della; Pil Lee, Jae; Joy, Monu; Annie Rilda, P. R.; Randev, Rugma V.; Nithyamol, P.; Vijayan, Vijitha; Inasu, Sini T.; Mathew, Githa Elizabeth; Lohidakshan, Krishnakumar K.; Kumar Krishnan, Girish; Kim, Hoon","Selected aryl thiosemicarbazones as a new class of multi-targeted monoamine oxidase inhibitors.","MedChemComm","2018","9","11","1871","1881","10.1039/c8md00399h","","","0.71073","MoKα","","0.1115","0.0558","","","0.1069","0.127","","","","","","1.031","","","","has coordinates","230140","2020-10-21","18:00:00",""
"7122376","26.704","0.008","18.529","0.005","17.539","0.01","90","","124.78","0.002","90","","7128","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H74 Mo12 N2 O42 P Zn4 -","- C33 H72 Mo12 N2 O42 P Zn4 -","- C132 H288 Mo48 N8 O168 P4 Zn16 -","4","0.5","","Cheng, Weiwei; Xue, Yun-Shan; Luo, Xi-Ming; Xu, Yan","A rare three-dimensional POM-based inorganic metal polymer bonded by CO<sub>2</sub> with high catalytic performance for CO<sub>2</sub> cycloaddition.","Chemical communications (Cambridge, England)","2018","54","91","12808","12811","10.1039/c8cc07041e","","","0.71073","MoKα","","0.1159","0.0674","","","0.1706","0.1961","","","","","","1.009","","","","has coordinates","228470","2020-10-21","18:00:00",""
"7122377","10.9353","0.0014","12.3322","0.0018","12.6739","0.0018","65.821","0.014","76.706","0.012","64.368","0.013","1402.9","0.4","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Cl N O5 S -","- C31 H28 Cl N O5 S -","- C62 H56 Cl2 N2 O10 S2 -","2","1","","Chen, Renjie; Liu, Yu; Cui, Sunliang","1,4-Conjugate addition/esterification of ortho-quinone methides in a multicomponent reaction.","Chemical communications (Cambridge, England)","2018","54","83","11753","11756","10.1039/c8cc07328g","","","0.71073","MoKα","","0.1492","0.0739","","","0.189","0.2307","","","","","","1.044","","","","has coordinates","228094","2020-10-21","18:00:00",""
"7122378","13.1437","0.0009","13.96","0.001","23.484","0.0016","88.5283","0.0011","84.7546","0.0011","79.2296","0.0011","4215.2","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Ru2Sb6 cluster","","- C68 H115 K2 N5 O12 Ru2 Sb6 -","- C68 H115 K2 N5 O12 Ru2 Sb6 -","- C136 H230 K4 N10 O24 Ru4 Sb12 -","2","1","","Wang, Yi; Zavalij, Peter; Eichhorn, Bryan","The cyclo-Sb<sub>6</sub> ring in the [Sb<sub>6</sub>(RuCp*)<sub>2</sub>]<sup>2-</sup> ion.","Chemical communications (Cambridge, England)","2018","54","84","11917","11920","10.1039/c8cc06542j","","","0.71073","MoKα","","0.0409","0.0279","","","0.0527","0.0551","","","","","","1.157","","","","has coordinates,has disorder","228478","2020-10-21","18:00:00",""
"7122379","13.0477","0.0011","14.1374","0.0012","23.62","0.002","87.7781","0.0014","84.4934","0.0013","79.1444","0.0014","4258.3","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","RuSb6-cluster","","- C70 H118 K2 N4 O12 Ru2 Sb6 -","- C70 H118 K2 N4 O12 Ru2 Sb6 -","- C140 H236 K4 N8 O24 Ru4 Sb12 -","2","1","","Wang, Yi; Zavalij, Peter; Eichhorn, Bryan","The cyclo-Sb<sub>6</sub> ring in the [Sb<sub>6</sub>(RuCp*)<sub>2</sub>]<sup>2-</sup> ion.","Chemical communications (Cambridge, England)","2018","54","84","11917","11920","10.1039/c8cc06542j","","","0.71073","MoKα","","0.0371","0.0248","","","0.0552","0.0572","","","","","","1.001","","","","has coordinates,has disorder","228478","2020-10-21","18:00:00",""
"7122380","14.5594","0.0005","14.5594","0.0005","13.7247","0.0007","90","","90","","120","","2519.54","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc","","- C29 H18 Co3 N O16 -","- C29.0001 H18.0001 Co3 N0.9999 O16 -","- C58.0002 H36.0002 Co6 N1.9998 O32 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","0.71073","MoKα","","0.0285","0.0261","","","0.0684","0.0691","","","","","","1.107","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7122381","14.3406","0.0002","14.3406","0.0002","14.1626","0.0004","90","","90","","120","","2522.37","0.09","150","0.1","150","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc-TPB-activated","","- C50.01 H28 Co3 N4 O13 -","- C50.01 H28 Co3 N3.9999 O13 -","- C100.02 H56 Co6 N7.9998 O26 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","1.54184","CuKα","","0.0633","0.0595","","","0.1627","0.1659","","","","","","1.09","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7122382","14.339","0.0002","14.339","0.0002","14.359","0.0003","90","","90","","120","","2556.78","0.07","150","0.1","150","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc-TPB","","- C50.01 H28 Co3 N4 O13 -","- C50.01 H28 Co3 N3.9999 O13 -","- C100.02 H56 Co6 N7.9998 O26 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","1.54184","CuKα","","0.0695","0.0646","","","0.1835","0.1914","","","","","","1.114","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7122383","10.6501","0.0003","37.3357","0.0007","14.6867","0.0003","90","","97.195","0.002","90","","5793.9","0.2","120","2","120.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C70 H67 O6 P -","- C70 H67 O6 P -","- C280 H268 O24 P4 -","4","1","","Gupta, Vivek; Santra, Biswajit; Mandal, Debdeep; Das, Shubhajit; Narayanan, Ramakirushnan Suriya; Kalita, Pankaj; Rao, D. Krishna; Schulzke, Carola; Pati, Swapan K.; Chandrasekhar, Vadapalli; Jana, Anukul","Neutral and anionic phosphate-diesters as molecular templates for the encapsulation of a water dimer.","Chemical communications (Cambridge, England)","2018","54","84","11913","11916","10.1039/c8cc07138a","","","0.71073","MoKα","","0.0583","0.0458","","","0.1119","0.1177","","","","","","1.061","","","","has coordinates","228480","2020-10-21","18:00:00",""
"7122384","8.6709","0.0003","11.8216","0.0005","12.5323","0.0003","71.887","0.003","79.512","0.003","77.411","0.003","1182.52","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H35 O4 P -","- C24 H35 O4 P -","- C48 H70 O8 P2 -","2","1","","Gupta, Vivek; Santra, Biswajit; Mandal, Debdeep; Das, Shubhajit; Narayanan, Ramakirushnan Suriya; Kalita, Pankaj; Rao, D. Krishna; Schulzke, Carola; Pati, Swapan K.; Chandrasekhar, Vadapalli; Jana, Anukul","Neutral and anionic phosphate-diesters as molecular templates for the encapsulation of a water dimer.","Chemical communications (Cambridge, England)","2018","54","84","11913","11916","10.1039/c8cc07138a","","","0.71073","MoKα","","0.0374","0.0337","","","0.0856","0.088","","","","","","1.05","","","","has coordinates","228480","2020-10-21","18:00:00",""
"7122385","16.4577","0.0004","14.985","0.0004","27.7532","0.0008","90","","96.392","0.002","90","","6801.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H88 N3 O6 P -","- C80 H88 N3 O6 P -","- C320 H352 N12 O24 P4 -","4","1","","Gupta, Vivek; Santra, Biswajit; Mandal, Debdeep; Das, Shubhajit; Narayanan, Ramakirushnan Suriya; Kalita, Pankaj; Rao, D. Krishna; Schulzke, Carola; Pati, Swapan K.; Chandrasekhar, Vadapalli; Jana, Anukul","Neutral and anionic phosphate-diesters as molecular templates for the encapsulation of a water dimer.","Chemical communications (Cambridge, England)","2018","54","84","11913","11916","10.1039/c8cc07138a","","","0.71073","MoKα","","0.0766","0.058","","","0.1527","0.164","","","","","","1.015","","","","has coordinates,has disorder","228480","2020-10-21","18:00:00",""
"7122386","12.4315","0.0003","12.5478","0.0003","22.9017","0.0005","90.892","0.002","95.969","0.002","108.698","0.002","3360.96","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H84 N3 O4 P -","- C80 H84 N3 O4 P -","- C160 H168 N6 O8 P2 -","2","1","","Gupta, Vivek; Santra, Biswajit; Mandal, Debdeep; Das, Shubhajit; Narayanan, Ramakirushnan Suriya; Kalita, Pankaj; Rao, D. Krishna; Schulzke, Carola; Pati, Swapan K.; Chandrasekhar, Vadapalli; Jana, Anukul","Neutral and anionic phosphate-diesters as molecular templates for the encapsulation of a water dimer.","Chemical communications (Cambridge, England)","2018","54","84","11913","11916","10.1039/c8cc07138a","","","0.71073","MoKα","","0.0581","0.0432","","","0.1029","0.1095","","","","","","1.076","","","","has coordinates","228480","2020-10-21","18:00:00",""
"7122387","8.7845","0.0007","12.3118","0.001","12.6497","0.0011","90","","96.447","0.001","90","","1359.45","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 I2 N8 O20 Pu -","- C10 H14 I2 N8 O20 Pu -","- C20 H28 I4 N16 O40 Pu2 -","2","0.5","","Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Pellegrini, Kristi L.; McNamara, Bruce K.; Schwantes, Jon M.; Cahill, Christopher L.","Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding.","Chemical communications (Cambridge, England)","2018","54","85","12014","12017","10.1039/c8cc05578e","","x-ray","0.71073","MoKα","","0.0513","0.0331","","","0.0682","0.0754","","","","","","1.011","","","","has coordinates","228382","2020-10-21","18:00:00",""
"7122388","9.8096","0.0008","10.1402","0.0008","11.5033","0.0009","73.416","0.001","82.364","0.001","87.1","0.001","1086.83","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H10 Cl4 I2 N4 O6 Pu -","- C10 H10 Cl4 I2 N4 O6 Pu -","- C20 H20 Cl8 I4 N8 O12 Pu2 -","2","1","","Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Pellegrini, Kristi L.; McNamara, Bruce K.; Schwantes, Jon M.; Cahill, Christopher L.","Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding.","Chemical communications (Cambridge, England)","2018","54","85","12014","12017","10.1039/c8cc05578e","","x-ray","0.71073","MoKα","","0.044","0.036","","","0.0876","0.0934","","","","","","1.044","","","","has coordinates","228382","2020-10-21","18:00:00",""
"7122389","17.2683","0.0014","7.7622","0.0006","15.1117","0.0011","90","","97.598","0.002","90","","2007.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl3 N5 O9 Pu -","- C10 H12 Cl3 N5 O9 Pu -","- C40 H48 Cl12 N20 O36 Pu4 -","4","1","","Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Pellegrini, Kristi L.; McNamara, Bruce K.; Schwantes, Jon M.; Cahill, Christopher L.","Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding.","Chemical communications (Cambridge, England)","2018","54","85","12014","12017","10.1039/c8cc05578e","","x-ray","0.71073","MoKα","","0.0239","0.0216","","","0.0518","0.0529","","","","","","1.183","","","","has coordinates,has disorder","228382","2020-10-21","18:00:00",""
"7122390","6.7493","0.0005","10.8107","0.0009","14.1715","0.0011","73.657","0.002","81.412","0.002","75.206","0.002","955.99","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl5 N3 O5 Pu -","- C10 H10 Cl5 N3 O5 Pu -","- C20 H20 Cl10 N6 O10 Pu2 -","2","1","","Surbella, Robert G.; Ducati, Lucas C.; Autschbach, Jochen; Pellegrini, Kristi L.; McNamara, Bruce K.; Schwantes, Jon M.; Cahill, Christopher L.","Plutonium chlorido nitrato complexes: ligand competition and computational metrics for assembly and bonding.","Chemical communications (Cambridge, England)","2018","54","85","12014","12017","10.1039/c8cc05578e","","x-ray","0.56086","AgKα","","0.0716","0.0646","","","0.1114","0.1134","","","","","","1.341","","","","has coordinates","228382","2020-10-21","18:00:00",""
"7122391","18.348","0.004","18.837","0.004","21.554","0.004","97.9","0.03","100.31","0.03","114.63","0.03","6472","3","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C147 H128 N6 O14 -","- C147 H128 N6 O14 -","- C294 H256 N12 O28 -","2","1","","Li, Lei; Hong, Yu-Jian; Lin, Yun; Xiao, Wang-Chuan; Lin, Mei-Jin","An electron-deficient nanosized polycyclic aromatic hydrocarbon with enhanced anion-π interactions.","Chemical communications (Cambridge, England)","2018","54","84","11941","11944","10.1039/c8cc06522e","","","0.71073","MoKα","","0.1922","0.0952","","","0.2466","0.2833","","","","","","0.914","","","","has coordinates","228485","2020-10-21","18:00:00",""
"7122392","22.793","0.005","19.106","0.004","14.475","0.003","90","","107.05","0.03","90","","6027","2","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H59 Cl2 N3 O6 -","- C65 H59 Cl2 N3 O6 -","- C260 H236 Cl8 N12 O24 -","4","1","","Li, Lei; Hong, Yu-Jian; Lin, Yun; Xiao, Wang-Chuan; Lin, Mei-Jin","An electron-deficient nanosized polycyclic aromatic hydrocarbon with enhanced anion-π interactions.","Chemical communications (Cambridge, England)","2018","54","84","11941","11944","10.1039/c8cc06522e","","","0.71073","MoKα","","0.253","0.1842","","","0.4773","0.5113","","","","","","1.49","","","","has coordinates","228485","2020-10-21","18:00:00",""
"7122393","17.1396","0.0008","4.0692","0.0002","22.0699","0.0015","90","","108.746","0.006","90","","1457.6","0.15","179.99","0.11","179.99","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NABT","NABT","","- C18 H13 N3 O S -","- C18 H13 N3 O S -","- C72 H52 N12 O4 S4 -","4","1","","Zhang, Xinyu; Jiang, Yuqian; Xiao, Nao","Monitoring ADP and ATP in vivo using a fluorescent Ga(iii)-probe complex.","Chemical communications (Cambridge, England)","2018","54","91","12812","12815","10.1039/c8cc06311g","","","0.71073","MoKα","","0.0658","0.0463","","","0.1133","0.1224","","","","","","1.031","","","","has coordinates","228467","2020-10-21","18:00:00",""
"7122394","8.8347","0.0006","21.828","0.0015","20.7072","0.0014","90","","90","","90","","3993.3","0.5","193","2","193","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C37 H73 Fe N4 P3 -","- C37 H73 Fe N4 P3 -","- C148 H292 Fe4 N16 P12 -","4","0.5","","Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas","Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions.","Chemical communications (Cambridge, England)","2018","54","84","11953","11956","10.1039/c8cc07466f","","","0.71073","MoKα","","0.0596","0.0373","","","0.0837","0.0963","","","","","","1.06","","","","has coordinates,has disorder","228482","2020-10-21","18:00:00",""
"7122395","9.9709","0.0006","18.7613","0.001","19.3003","0.0011","104.771","0.003","90.189","0.003","99.733","0.004","3436.8","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H59 Fe N2 P3 -","- C34 H59 Fe N2 P3 -","- C136 H236 Fe4 N8 P12 -","4","2","","Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas","Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions.","Chemical communications (Cambridge, England)","2018","54","84","11953","11956","10.1039/c8cc07466f","","","0.71073","MoKα","","0.1635","0.0825","","","0.1806","0.2077","","","","","","1.085","","","","has coordinates,has disorder","228482","2020-10-21","18:00:00",""
"7122396","24.9372","0.0011","14.9752","0.0006","23.2922","0.0016","90","","116.275","0.0018","90","","7799.5","0.7","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H69 Cl2 Fe O P3 -","- C36 H69 Cl2 Fe O P3 -","- C288 H552 Cl16 Fe8 O8 P24 -","8","1","","Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas","Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions.","Chemical communications (Cambridge, England)","2018","54","84","11953","11956","10.1039/c8cc07466f","","","0.71073","MoKα","","0.0731","0.0527","","","0.1281","0.1491","","","","","","1.108","","","","has coordinates,has disorder","228482","2020-10-21","18:00:00",""
"7122397","11.2863","0.0004","28.1832","0.001","23.9028","0.0008","90","","102.292","0.001","90","","7428.8","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H63 Cl Fe P3 -","- C36.5 H63 Cl Fe P3 -","- C292 H504 Cl8 Fe8 P24 -","8","2","","Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas","Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions.","Chemical communications (Cambridge, England)","2018","54","84","11953","11956","10.1039/c8cc07466f","","","0.71073","MoKα","","0.0814","0.0495","","","0.0987","0.1151","","","","","","1.061","","","","has coordinates,has disorder","228482","2020-10-21","18:00:00",""
"7122398","13.08","0.008","5.727","0.004","14.056","0.008","90","","113.482","0.012","90","","965.7","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H17 Br N2 O -","- C24 H17 Br N2 O -","- C48 H34 Br2 N4 O2 -","2","1","","Li, Ling; Liu, Zhen-Ting; Hu, Xiang-Ping","Copper-catalyzed propargylic [3+3] cycloaddition with 1H-pyrazol-5(4H)-ones: enantioselective access to optically active dihydropyrano[2,3-c]pyrazoles.","Chemical communications (Cambridge, England)","2018","54","85","12033","12036","10.1039/c8cc05706k","","","0.71073","MoKα","","0.0583","0.0441","","","0.1002","0.1083","","","","","","1.06","","","","has coordinates","228376","2020-10-21","18:00:00",""
"7122399","17.222","0.008","10.281","0.004","36.345","0.018","90","","102.86","0.02","90","","6274","5","150","2","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 Cd2 N4 O12 -","- C68 H64 Cd2 N4 O12 -","- C272 H256 Cd8 N16 O48 -","4","1","","Xu, Kui; Yu, Bing; Li, Yuanyuan; Su, Huifang; Wang, Bingnan; Sun, Kai; Liu, Yuanyuan; Peng, Qiuchen; Hou, Hongwei; Li, Kai","Photo-induced free radical production in a tetraphenylethylene ligand-based metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","92","12942","12945","10.1039/c8cc06662k","","","0.71073","MoKα","","0.1069","0.0857","","","0.1939","0.2043","","","","","","1.145","","","","has coordinates,has disorder","228464","2020-10-21","18:00:00",""
"7122400","16.4464","0.0003","18.2277","0.0003","24.0228","0.0003","90","","90","","90","","7201.6","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H47 B N P -","- C42 H47 B N P -","- C336 H376 B8 N8 P8 -","8","1","","Lee, Young Hoon; Jana, Saibal; Lee, Heechai; Lee, Sang Uck; Lee, Min Hyung","Rational design of time-resolved turn-on fluorescence sensors: exploiting delayed fluorescence for hydrogen peroxide sensing.","Chemical communications (Cambridge, England)","2018","54","85","12069","12072","10.1039/c8cc07397j","","","0.71073","MoKα","","0.1032","0.0601","","","0.1543","0.1788","","","","","","1.054","","","","has coordinates","228381","2020-10-21","18:00:00",""
"7122401","15.7787","0.0002","8.2376","0.0002","21.582","0.0003","90","","100.292","0.001","90","","2760.06","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 B N -","- C36 H34 B N -","- C144 H136 B4 N4 -","4","1","","Lee, Young Hoon; Jana, Saibal; Lee, Heechai; Lee, Sang Uck; Lee, Min Hyung","Rational design of time-resolved turn-on fluorescence sensors: exploiting delayed fluorescence for hydrogen peroxide sensing.","Chemical communications (Cambridge, England)","2018","54","85","12069","12072","10.1039/c8cc07397j","","","0.71073","MoKα","","0.0827","0.0597","","","0.1731","0.1877","","","","","","1.069","","","","has coordinates","228381","2020-10-21","18:00:00",""
"7122402","8.7694","0.0001","26.1702","0.0003","17.0409","0.0002","90","","95.5961","0.0008","90","","3892.2","0.08","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 B N2 O P -","- C44 H50 B N2 O P -","- C176 H200 B4 N8 O4 P4 -","4","1","","Lee, Young Hoon; Jana, Saibal; Lee, Heechai; Lee, Sang Uck; Lee, Min Hyung","Rational design of time-resolved turn-on fluorescence sensors: exploiting delayed fluorescence for hydrogen peroxide sensing.","Chemical communications (Cambridge, England)","2018","54","85","12069","12072","10.1039/c8cc07397j","","","0.71073","MoKα","","0.1042","0.0718","","","0.1991","0.2243","","","","","","1.062","","","","has coordinates","228381","2020-10-21","18:00:00",""
"7122403","15.4381","0.0002","15.9969","0.0002","18.31405","0.00018","90","","90","","90","","4522.87","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C51 H73 N O4 -","- C51 H73 N O4 -","- C204 H292 N4 O16 -","4","1","","Whiteside, R. E.; Gunaratne, H. Q. Nimal; Muzio, A. F. V.; Nockemann, P.","Selective monoalkylation of p-tert-butylcalix-[4]-arene in a methyl carbonate ionic liquid.","Chemical communications (Cambridge, England)","2018","54","85","12037","12040","10.1039/c8cc05566a","","x-ray","1.54184","CuKα","","0.0651","0.0636","","","0.1757","0.178","","","","","","1.092","","","","has coordinates","228378","2020-10-21","18:00:00",""
"7122404","15.3846","0.0002","15.7251","0.0002","24.2062","0.0003","90","","105.073","0.001","90","","5654.59","0.13","100","0.18","100","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H101 N3 O4 -","- C64 H100 N3 O4 -","- C256 H400 N12 O16 -","4","1","","Whiteside, R. E.; Gunaratne, H. Q. Nimal; Muzio, A. F. V.; Nockemann, P.","Selective monoalkylation of p-tert-butylcalix-[4]-arene in a methyl carbonate ionic liquid.","Chemical communications (Cambridge, England)","2018","54","85","12037","12040","10.1039/c8cc05566a","","x-ray","1.54184","CuKα","","0.1026","0.0979","","","0.2881","0.2942","","","","","","1.08","","","","has coordinates,has disorder","228378","2020-10-21","18:00:00",""
"7122405","8.821","0.003","11.239","0.004","11.41","0.004","81.907","0.005","70.268","0.005","69.729","0.005","998.4","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 F2 N O2 -","- C26 H17 F2 N O2 -","- C52 H34 F4 N2 O4 -","2","1","","Zheng, Kailu; Zhuang, Shiyi; Shu, Wenming; Wu, Yandong; Yang, Chuluo; Wu, Anxin","Molecular iodine-mediated formal [2+1+1+1] cycloaddition access to pyrrolo[2,1-a]isoquinolines with DMSO as the methylene source.","Chemical communications (Cambridge, England)","2018","54","84","11897","11900","10.1039/c8cc06908e","","","0.71073","MoKα","","0.0735","0.0538","","","0.1776","0.2073","","","","","","0.969","","","","has coordinates","228484","2020-10-21","18:00:00",""
"7122406","11.821","0.015","9.242","0.011","18.97","0.02","90","","92.57","0.02","90","","2070","4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 -","- C26 H18 N2 O4 -","- C104 H72 N8 O16 -","4","1","","Zheng, Kailu; Zhuang, Shiyi; Shu, Wenming; Wu, Yandong; Yang, Chuluo; Wu, Anxin","Molecular iodine-mediated formal [2+1+1+1] cycloaddition access to pyrrolo[2,1-a]isoquinolines with DMSO as the methylene source.","Chemical communications (Cambridge, England)","2018","54","84","11897","11900","10.1039/c8cc06908e","","","0.71073","MoKα","","0.1384","0.085","","","0.2373","0.2872","","","","","","1.07","","","","has coordinates","228484","2020-10-21","18:00:00",""
"7122407","8.7349","0.0008","22.1152","0.0014","11.5746","0.0009","90","","107.507","0.009","90","","2132.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Br2 N O2 -","- C26 H17 Br2 N O2 -","- C104 H68 Br8 N4 O8 -","4","1","","Zheng, Kailu; Zhuang, Shiyi; Shu, Wenming; Wu, Yandong; Yang, Chuluo; Wu, Anxin","Molecular iodine-mediated formal [2+1+1+1] cycloaddition access to pyrrolo[2,1-a]isoquinolines with DMSO as the methylene source.","Chemical communications (Cambridge, England)","2018","54","84","11897","11900","10.1039/c8cc06908e","","x-ray","0.71073","MoKα","","0.076","0.0513","","","0.0849","0.0961","","","","","","1.044","","","","has coordinates","228484","2020-10-21","18:00:00",""
"7122408","9.292","0.004","9.345","0.003","21.486","0.009","80.32","0.014","80.796","0.012","65.327","0.011","1662.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H26 Cl2 Dy2 N8 O8 -","- C28 H28 Cl2 Dy2 N8 O8 -","- C56 H56 Cl4 Dy4 N16 O16 -","2","1","","Tian, Haiquan; Wang, Bao-Lin; Lu, Jing; Liu, Hou-Ting; Su, Jianhui; Li, Dacheng; Dou, Jianmin","Consecutive one-/two-step relaxation transformations of single-molecule magnets via coupling dinuclear dysprosium compounds with chloride bridges.","Chemical communications (Cambridge, England)","2018","54","85","12105","12108","10.1039/c8cc06699j","","","0.71073","MoKα","","0.0634","0.0509","","","0.1208","0.1274","","","","","","1.15","","","","has coordinates","228373","2020-10-21","18:00:00",""
"7122409","9.159","0.009","9.343","0.011","11.151","0.013","88.62","0.05","73.41","0.04","67.12","0.03","838.5","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl Dy N4 O4 -","- C14 H14 Cl Dy N4 O4 -","- C28 H28 Cl2 Dy2 N8 O8 -","2","1","","Tian, Haiquan; Wang, Bao-Lin; Lu, Jing; Liu, Hou-Ting; Su, Jianhui; Li, Dacheng; Dou, Jianmin","Consecutive one-/two-step relaxation transformations of single-molecule magnets via coupling dinuclear dysprosium compounds with chloride bridges.","Chemical communications (Cambridge, England)","2018","54","85","12105","12108","10.1039/c8cc06699j","","","0.71073","MoKα","","0.0633","0.0521","","","0.118","0.1301","","","","","","1.052","","","","has coordinates","228373","2020-10-21","18:00:00",""
"7122410","9.416","0.004","21.374","0.008","16.637","0.007","90","","104.907","0.008","90","","3236","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Cl4 Dy4 N16 O16 -","- C56 H56 Cl4 Dy4 N16 O16 -","- C112 H112 Cl8 Dy8 N32 O32 -","2","0.5","","Tian, Haiquan; Wang, Bao-Lin; Lu, Jing; Liu, Hou-Ting; Su, Jianhui; Li, Dacheng; Dou, Jianmin","Consecutive one-/two-step relaxation transformations of single-molecule magnets via coupling dinuclear dysprosium compounds with chloride bridges.","Chemical communications (Cambridge, England)","2018","54","85","12105","12108","10.1039/c8cc06699j","","","0.71073","MoKα","","0.0431","0.0409","","","0.0707","0.0715","","","","","","1.248","","","","has coordinates","228373","2020-10-21","18:00:00",""
"7122411","15.064","0.002","15.064","0.002","29.042","0.006","90","","90","","120","","5707.4","1.6","80","2","80","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C54.5 H50 Cl1.5 Cu3 N12.5 O10 -","- C54.4999 H48 Cl1.5 Cu3 N12.5001 O10.0005 -","- C218 H192 Cl6 Cu12 N50.0004 O40.002 -","4","0.666667","","Kintzel, Benjamin; Böhme, Michael; Liu, Junjie; Burkhardt, Anja; Mrozek, Jakub; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried","Molecular electronic spin qubits from a spin-frustrated trinuclear copper complex.","Chemical communications (Cambridge, England)","2018","54","92","12934","12937","10.1039/c8cc06741d","","","0.6199","synchrotron","","0.0392","0.0383","","","0.1141","0.1152","","","","","","1.07","","","","has coordinates,has disorder","228462","2020-10-21","18:00:00",""
"7122412","63.74","0.005","63.74","0.005","63.74","0.005","90","","90","","90","","258962","4","173","2","173","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C160 H136 Br5.69 Dy4 N56 O27.25 -","- C160 H136 Br5.688 Dy4 N56 O27.244 -","- C3840 H3264 Br136.512 Dy96 N1344 O653.856 -","24","0.25","","Wu, Jianfeng; Guo, Mei; Li, Xiao-Lei; Zhao, Lang; Sun, Qing-Fu; Layfield, Richard A.; Tang, Jinkui","From double-shelled grids to supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","85","12097","12100","10.1039/c8cc06411c","","","0.71073","MoKα","","0.1469","0.1005","","","0.2455","0.2946","","","","","","1.053","","","","has coordinates,has disorder","228375","2020-10-21","18:00:00",""
"7122413","63.821","0.002","63.821","0.002","63.821","0.002","90","","90","","90","","259951","14","173","2","173","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C160 H128 Cl6 Cu4 Dy4 N56 O32 -","- C160 H128 Cl6 Cu4 Dy4 N56 O32 -","- C3840 H3072 Cl144 Cu96 Dy96 N1344 O768 -","24","0.25","","Wu, Jianfeng; Guo, Mei; Li, Xiao-Lei; Zhao, Lang; Sun, Qing-Fu; Layfield, Richard A.; Tang, Jinkui","From double-shelled grids to supramolecular frameworks.","Chemical communications (Cambridge, England)","2018","54","85","12097","12100","10.1039/c8cc06411c","","","0.71073","MoKα","","0.1675","0.1062","","","0.2563","0.3106","","","","","","1.071","","","","has coordinates","228375","2020-10-21","18:00:00",""
"7122414","13.587","0.006","6.23","0.003","15.598","0.007","90","","92.11","0.011","90","","1319.4","1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Yang, Yuwen; Yang, Weibo","Divergent synthesis of N-heterocycles by Pd-catalyzed controllable cyclization of vinylethylene carbonates.","Chemical communications (Cambridge, England)","2018","54","86","12182","12185","10.1039/c8cc06945j","","","0.71073","MoKα","","0.1533","0.0556","","","0.0988","0.1279","","","","","","0.942","","","","has coordinates,has disorder","227984","2020-10-21","18:00:00",""
"7122415","5.8417","0.0002","26.828","0.0009","28.4867","0.0011","90","","90","","90","","4464.5","0.3","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H20 Cl2 N2 -","- C23 H20 Cl2 N2 -","- C184 H160 Cl16 N16 -","8","1","","Yang, Yuwen; Yang, Weibo","Divergent synthesis of N-heterocycles by Pd-catalyzed controllable cyclization of vinylethylene carbonates.","Chemical communications (Cambridge, England)","2018","54","86","12182","12185","10.1039/c8cc06945j","","","1.54178","CuKα","","0.0917","0.0668","","","0.1439","0.1557","","","","","","1.081","","","","has coordinates","227984","2020-10-21","18:00:00",""
"7122416","13.093","0.002","7.5118","0.0013","14.149","0.002","90","","91.872","0.002","90","","1390.8","0.4","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","2","","Yoshida, Taira; Mori, Keiji","Expeditious synthesis of multisubstituted indoles via multiple hydrogen transfers.","Chemical communications (Cambridge, England)","2018","54","90","12686","12689","10.1039/c8cc07009a","","","0.71073","MoKα","","0.068","0.0474","","","0.0909","0.0998","","","","","","1.004","","","","has coordinates","228319","2020-10-21","18:00:00",""
"7122417","8.6375","0.0003","13.8673","0.0004","18.4717","0.0006","90","","103.076","0.003","90","","2155.15","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N O2 Rh -","- C25 H29 Cl N O2 Rh -","- C100 H116 Cl4 N4 O8 Rh4 -","4","1","","Aboo, Ahmed H.; Bennett, Elliot L.; Deeprose, Mark; Robertson, Craig M.; Iggo, Jonathan A.; Xiao, Jianliang","Methanol as hydrogen source: transfer hydrogenation of aromatic aldehydes with a rhodacycle.","Chemical communications (Cambridge, England)","2018","54","83","11805","11808","10.1039/c8cc06612d","","x-ray","0.710747","MoKα","","0.0673","0.0477","","","0.0794","0.0868","","","","","","1.063","","","","has coordinates","228092","2020-10-21","18:00:00",""
"7122418","27.9568","0.0006","27.9568","0.0006","27.9568","0.0006","90","","90","","90","","21850.6","0.8","130","1","130","1","","","","","","","","6","F -4 3 m","F -4 2 3","216","","","","- C212 H298 Br2 N12 O40 Si6 -","- C120 H78 Br2 O24 Si6 -","- C480 H312 Br8 O96 Si24 -","4","0.0416667","","Holmes, Jessica L.; Abrahams, Brendan F.; Ahveninen, Anna; Boughton, Berin A.; Hudson, Timothy A.; Robson, Richard; Thinagaran, Dinaiz","Self-assembly of a Si-based cage by the formation of 24 equivalent covalent bonds.","Chemical communications (Cambridge, England)","2018","54","84","11877","11880","10.1039/c8cc06405a","","","1.54184","CuKα","","0.0849","0.0773","","","0.2178","0.23","","","","","","1.05","","","","has coordinates","228483","2020-10-21","18:00:00",""
"7122419","27.7206","0.0007","27.7206","0.0007","27.7206","0.0007","90","","90","","90","","21301.4","0.9","130.01","0.1","130.01","0.1","","","","","","","","7","F -4 3 m","F -4 2 3","216","","","","- C152 H298 Br2 Cs4 N4 O94 Si6 -","- C120 H78 Br1.7999 Cs4 O30 Si6 -","- C480 H312 Br7.1996 Cs16 O120 Si24 -","4","0.0416667","","Holmes, Jessica L.; Abrahams, Brendan F.; Ahveninen, Anna; Boughton, Berin A.; Hudson, Timothy A.; Robson, Richard; Thinagaran, Dinaiz","Self-assembly of a Si-based cage by the formation of 24 equivalent covalent bonds.","Chemical communications (Cambridge, England)","2018","54","84","11877","11880","10.1039/c8cc06405a","","x-ray","1.54184","CuKα","","0.1083","0.1023","","","0.2762","0.2864","","","","","","1.293","","","","has coordinates,has disorder","228483","2020-10-21","18:00:00",""
"7122420","10.753","0.0005","11.5829","0.0004","19.2555","0.0007","90","","100.949","0.004","90","","2354.63","0.16","292.6","1","292.6","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Cl N2 O3 -","- C23 H33 Cl N2 O3 -","- C92 H132 Cl4 N8 O12 -","4","1","","Guo, Jing; Liu, Xiaohua; He, Changqiang; Tan, Fei; Dong, Shunxi; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective α-alkylation of β-ketoamides with phenyliodonium ylide via a radical process.","Chemical communications (Cambridge, England)","2018","54","86","12254","12257","10.1039/c8cc07140c","","x-ray","1.54184","CuKα","","0.0663","0.0574","","","0.1607","0.1735","","","","","","1.027","","","","has coordinates","227985","2020-10-21","18:00:00",""
"7122421","12.9026","0.0002","12.9026","0.0002","29.8458","0.0007","90","","90","","90","","4968.64","0.16","293.2","0.2","293.2","0.2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C43 H68 Cl2 N4 Ni O14 -","- C43 H68 Cl2 N4 Ni O14 -","- C172 H272 Cl8 N16 Ni4 O56 -","4","0.5","","Guo, Jing; Liu, Xiaohua; He, Changqiang; Tan, Fei; Dong, Shunxi; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective α-alkylation of β-ketoamides with phenyliodonium ylide via a radical process.","Chemical communications (Cambridge, England)","2018","54","86","12254","12257","10.1039/c8cc07140c","","x-ray","1.54184","CuKα","","0.0919","0.0745","","","0.2282","0.2564","","","","","","1.019","","","","has coordinates","227985","2020-10-21","18:00:00",""
"7122422","17.216","0.0008","20.2934","0.0009","7.1911","0.0004","90","","90","","90","","2512.4","0.2","100","2","100.01","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Co F24 N O4 -","- C16 H12 Co F24 N O4 -","- C64 H48 Co4 F96 N4 O16 -","4","0.5","","Steele, Jennifer L.; Tahsini, Laleh; Sun, Chen; Elinburg, Jessica K.; Kotyk, Christopher M.; McNeely, James; Stoian, Sebastian A.; Dragulescu-Andrasi, Alina; Ozarowski, Andrew; Ozerov, M.; Krzystek, J.; Telser, Joshua; Bacon, Jeffrey W.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Square-planar Co(iii) in {O<sub>4</sub>} coordination: large ZFS and reactivity with ROS.","Chemical communications (Cambridge, England)","2018","54","85","12045","12048","10.1039/c8cc04464c","","","1.54178","CuKα","","0.0445","0.0408","","","0.1061","0.1091","","","","","","1.048","","","","has coordinates,has disorder","228374","2020-10-21","18:00:00",""
"7122423","18.9087","0.0017","9.8278","0.0008","18.7047","0.0017","90","","90.009","0.002","90","","3475.9","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Co F24 N2 O9 -","- C20 H30 Co F24 N2 O9 -","- C80 H120 Co4 F96 N8 O36 -","4","1","","Steele, Jennifer L.; Tahsini, Laleh; Sun, Chen; Elinburg, Jessica K.; Kotyk, Christopher M.; McNeely, James; Stoian, Sebastian A.; Dragulescu-Andrasi, Alina; Ozarowski, Andrew; Ozerov, M.; Krzystek, J.; Telser, Joshua; Bacon, Jeffrey W.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Square-planar Co(iii) in {O<sub>4</sub>} coordination: large ZFS and reactivity with ROS.","Chemical communications (Cambridge, England)","2018","54","85","12045","12048","10.1039/c8cc04464c","","","0.71073","MoKα","","0.0408","0.0329","","","0.0752","0.0789","","","","","","1.047","","","","has coordinates","228374","2020-10-21","18:00:00",""
"7122424","10.5161","0.0007","13.651","0.0007","17.9616","0.0018","78.981","0.006","77.249","0.007","69.307","0.006","2334.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H64 Mg2 N4 -","- C52 H64 Mg2 N4 -","- C104 H128 Mg4 N8 -","2","1","","Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R.","Palladium-catalysed magnesiation of benzene.","Chemical communications (Cambridge, England)","2018","54","87","12326","12328","10.1039/c8cc06392c","","","1.54184","CuKα","","0.0881","0.0604","","","0.1592","0.1843","","","","","","1.019","","","","has coordinates","228610","2020-10-21","18:00:00",""
"7122425","23.39","0.007","23.39","0.007","13.909","0.005","90","","90","","120","","6590","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C7 H0 N7 O1.17 S2 Zn -","- C7 N7 O1.16667 S2 Zn -","- C126 N126 O21 S36 Zn18 -","18","1","","Gai, Yanli; Chen, Xitong; Yang, Huajun; Wang, Yanxiang; Bu, Xianhui; Feng, Pingyun","A new strategy for constructing a disulfide-functionalized ZIF-8 analogue using structure-directing ligand-ligand covalent interaction.","Chemical communications (Cambridge, England)","2018","54","85","12109","12112","10.1039/c8cc07064d","","","0.71073","MoKα","","0.0761","0.0588","","","0.1686","0.1848","","","","","","1.077","","","","has coordinates,has disorder","228377","2020-10-21","18:00:00",""
"7122426","11.1776","0.001","12.1625","0.0011","25.368","0.002","81.4051","0.0015","86.7035","0.0015","74.0481","0.0015","3278.2","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H45 F20 N9 S3 Th2 -","- C63 H45 F20 N9 S3 Th2 -","- C126 H90 F40 N18 S6 Th4 -","2","1","","Gotthelf, Garret; Stuber, Matthew A.; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Organosoluble tetravalent actinide di- and trifluorides.","Chemical communications (Cambridge, England)","2018","54","85","12018","12020","10.1039/c8cc05501g","","","0.71073","MoKα","","0.0438","0.036","","","0.0794","0.082","","","","","","1.144","","","","has coordinates,has disorder","228380","2020-10-21","18:00:00",""
"7122427","9.809","0.002","38.747","0.009","9.755","0.002","90","","117.859","0.003","90","","3277.9","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F2 I2 N6 U -","- C30 H30 F2 I2 N6 U -","- C120 H120 F8 I8 N24 U4 -","4","1","","Gotthelf, Garret; Stuber, Matthew A.; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.","Organosoluble tetravalent actinide di- and trifluorides.","Chemical communications (Cambridge, England)","2018","54","85","12018","12020","10.1039/c8cc05501g","","","0.71073","MoKα","","0.0675","0.0586","","","0.128","0.136","","","","","","1.215","","","","has coordinates","228380","2020-10-21","18:00:00",""
"7122428","12.8668","0.0005","28.2571","0.0009","20.0883","0.0006","90","","90","","90","","7303.7","0.4","120","2","120","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C48 H107 Ge4 K1.09 N8 O18 Rb1.91 Zn -","- C48 H107 Ge4 K1.09 N8 O18 Rb1.91 Zn -","- C192 H428 Ge16 K4.36 N32 O72 Rb7.64 Zn4 -","4","0.5","","Henneberger, Thomas; Klein, Wilhelm; Dums, Jasmin V.; Fässler, Thomas F","[(μ<sub>2</sub>-H)(η<sup>2</sup>-Ge<sub>4</sub>)ZnPh<sub>2</sub>]<sup>3-</sup>, an edge-on protonated E<sub>4</sub> cluster establishing the first three-center two-electron Ge-H-Ge bond.","Chemical communications (Cambridge, England)","2018","54","87","12381","12384","10.1039/c8cc06843g","","","0.71073","MoKα","","0.0694","0.0345","","","0.0707","0.0757","","","","","","0.866","","","","has coordinates","228614","2020-10-21","18:00:00",""
"7122429","38.5713","0.0008","9.997","0.0002","19.0042","0.0004","90","","94.337","0.002","90","","7307","0.3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H37.5 Ge9 K0.45 N4.5 O6 Rb3.55 -","- C12 H37.5 Ge9 K0.454 N4.5 O6 Rb3.546 -","- C96 H300 Ge72 K3.632 N36 O48 Rb28.368 -","8","1","","Henneberger, Thomas; Klein, Wilhelm; Dums, Jasmin V.; Fässler, Thomas F","[(μ<sub>2</sub>-H)(η<sup>2</sup>-Ge<sub>4</sub>)ZnPh<sub>2</sub>]<sup>3-</sup>, an edge-on protonated E<sub>4</sub> cluster establishing the first three-center two-electron Ge-H-Ge bond.","Chemical communications (Cambridge, England)","2018","54","87","12381","12384","10.1039/c8cc06843g","","","0.71073","MoKα","","0.044","0.0271","","","0.048","0.05","","","","","","0.924","","","","has coordinates","228614","2020-10-21","18:00:00",""
"7122430","15.073","0.0004","20.533","0.0005","20.5731","0.0005","90","","90","","90","","6367.2","0.3","150","0.1","150","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B N6 O2 P W -","- C26 H34 B N6 O2 P W -","- C208 H272 B8 N48 O16 P8 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","1.54184","CuKα","","0.0709","0.058","","","0.1504","0.1676","","","","","","1.039","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122431","15.285","0.0006","10.7644","0.0005","27.3927","0.001","90","","93.766","0.004","90","","4497.3","0.3","150","0.1","150","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C38 H45 B2 N12 O4 P W2 -","- C38 H45 B2 N12 O4 P W2 -","- C152 H180 B8 N48 O16 P4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.043","0.0309","","","0.0703","0.0753","","","","","","1.02","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122432","11.2582","0.0003","11.6958","0.0004","22.3488","0.0006","83.656","0.003","81.841","0.002","71.23","0.003","2751.44","0.15","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H54 As B2 N12 O4 P W2 -","- C50 H54 As B2 N12 O4 P W2 -","- C100 H108 As2 B4 N24 O8 P2 W4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","1.54184","CuKα","","0.0544","0.0502","","","0.1363","0.1423","","","","","","1.044","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122433","17.0572","0.0004","10.5503","0.0002","17.9411","0.0004","90","","90","","90","","3228.65","0.12","150.01","0.01","150.01","0.01","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H36 B Mo N6 O2 P Si -","- C29 H36 B Mo N6 O2 P Si -","- C116 H144 B4 Mo4 N24 O8 P4 Si4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0372","0.0305","","","0.0657","0.0696","","","","","","1.056","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122434","21.7758","0.0004","10.976","0.0002","24.157","0.0008","90","","115.485","0.002","90","","5212","0.2","150","0.1","150","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C41.67 H53.67 B2 Cl2 N12 O4 P Si W2 -","- C41.6666 H53.6666 B2 Cl1.9998 N12 O4 P Si W2 -","- C166.666 H214.666 B8 Cl7.9992 N48 O16 P4 Si4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","1.54184","CuKα","","0.0419","0.0389","","","0.1043","0.1076","","","","","","1.103","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122435","17.5232","0.0003","10.5308","0.0002","18.0406","0.0003","90","","90","","90","","3329.09","0.1","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H42 B Mo N6 O2 P Si -","- C29 H42 B Mo N6 O2 P Si -","- C116 H168 B4 Mo4 N24 O8 P4 Si4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0384","0.0318","","","0.0692","0.072","","","","","","1.07","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122436","22.4317","0.001","10.8744","0.0003","23.8394","0.001","90","","117.336","0.005","90","","5165.8","0.4","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H49 B2 N12 O4 P W2 -","- C44 H49 B2 N12 O4 P W2 -","- C176 H196 B8 N48 O16 P4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","1.54184","CuKα","","0.0558","0.0516","","","0.1373","0.1409","","","","","","1.272","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122437","22.114","0.002","11.0992","0.0005","23.9715","0.0016","90","","114.633","0.009","90","","5348.3","0.8","150","0.1","150","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C41 H53 Au B2 Cl N12 O4 P Si W2 -","- C41 H53 Au B2 Cl N12 O4 P Si W2 -","- C164 H212 Au4 B8 Cl4 N48 O16 P4 Si4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.1079","0.0838","","","0.1693","0.1791","","","","","","1.258","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122438","10.7103","0.0008","12.8936","0.0005","19.5744","0.0008","77.598","0.004","78.252","0.005","70.388","0.005","2461.3","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 B2 N12 O4 P W2 -","- C45 H51 B2 N12 O4 P W2 -","- C90 H102 B4 N24 O8 P2 W4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0506","0.0367","","","0.0798","0.0865","","","","","","1.046","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122439","21.415","0.0005","10.8991","0.0002","24.0583","0.0005","90","","115.668","0.003","90","","5061.2","0.2","150","0.1","150","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H54 B2 Cl3 N12 O4 P W2 -","- C43 H54 B2 Cl3 N12 O4 P W2 -","- C172 H216 B8 Cl12 N48 O16 P4 W8 -","4","0.5","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0215","0.0198","","","0.0432","0.0441","","","","","","1.241","","","","has coordinates,has disorder","228611","2020-10-21","18:00:00",""
"7122440","17.0998","0.0002","10.5256","0.0002","17.8373","0.0003","90","","90","","90","","3210.46","0.09","150","0.1","150","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H36 B N6 O2 P Si W -","- C29 H36 B N6 O2 P Si W -","- C116 H144 B4 N24 O8 P4 Si4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.","Chemical communications (Cambridge, England)","2018","54","87","12373","12376","10.1039/c8cc07166g","","","0.71073","MoKα","","0.0326","0.0235","","","0.0425","0.0467","","","","","","1.074","","","","has coordinates","228611","2020-10-21","18:00:00",""
"7122441","8.2469","0.0003","9.0265","0.0003","9.4627","0.0003","95.548","0.003","94.576","0.003","92.972","0.003","697.61","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.","Chemical communications (Cambridge, England)","2018","54","87","12389","12392","10.1039/c8cc06388e","","x-ray","1.54184","CuKα","","0.0372","0.0341","","","0.086","0.0886","","","","","","1.058","","","","has coordinates","228609","2020-10-21","18:00:00",""
"7122442","23.9951","0.0005","14.2011","0.0003","6.8998","0.0001","90","","90","","90","","2351.15","0.08","120","2","120","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","2","","Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.","Chemical communications (Cambridge, England)","2018","54","87","12389","12392","10.1039/c8cc06388e","","x-ray","1.54184","CuKα","","0.0413","0.0361","","","0.0923","0.0957","","","","","","1.039","","","","has coordinates","228609","2020-10-21","18:00:00",""
"7122443","18.5434","0.0006","8.2224","0.0003","18.7134","0.0007","90","","90","","90","","2853.26","0.18","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","","Panchal, Heena; Clarke, Christopher; Bell, Charles; Karad, Somnath Narayan; Lewis, William; Lam, Hon Wai","Nickel-catalyzed, ligand-free, diastereoselective synthesis of 3-methyleneindan-1-ols.","Chemical communications (Cambridge, England)","2018","54","87","12389","12392","10.1039/c8cc06388e","","x-ray","1.54184","CuKα","","0.0398","0.0355","","","0.089","0.0922","","","","","","1.052","","","","has coordinates,has disorder","228609","2020-10-21","18:00:00",""
"7122444","5.12044","0.00005","14.66642","0.00014","16.34735","0.00015","90","","90","","90","","1227.66","0.02","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","Luo, Zhonghua; Sun, Guodong; Zhou, Zihong; Liu, Guozhu; Luan, Baolei; Lin, Yicao; Zhang, Lei; Wang, Zhongqing","Stereogenic cis-2-substituted-N-acetyl-3-hydroxy-indolines via ruthenium(ii)-catalyzed dynamic kinetic resolution-asymmetric transfer hydrogenation.","Chemical communications (Cambridge, England)","2018","54","96","13503","13506","10.1039/c8cc07336h","","","1.54184","CuKα","","0.03","0.0296","","","0.0775","0.0779","","","","","","1.071","","","","has coordinates","228581","2020-10-21","18:00:00",""
"7122445","13.337","0.006","10.087","0.004","15.17","0.007","90","","93.785","0.007","90","","2036.4","1.5","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 B Cl F4 O -","- C23 H16 B Cl F4 O -","- C92 H64 B4 Cl4 F16 O4 -","4","1","","Fathimath Salfeena, C. T.; Basavaraja, ?; Ashitha, K. T.; Kumar, V. Praveen; Varughese, Sunil; Suresh, Cherumuttathu H.; Sasidhar, B. S.","Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels-Alder reaction.","Chemical communications (Cambridge, England)","2018","54","88","12463","12466","10.1039/c8cc06444j","","","0.71073","MoKα","","0.0994","0.0772","","","0.2163","0.2369","","","","","","1.086","","","","has coordinates","228193","2020-10-21","18:00:00",""
"7122446","20.155","0.0011","20.4279","0.0011","20.6157","0.001","114.452","0.002","109.472","0.001","91.124","0.002","7160.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C257 H240 F15 Fe4 N36 O27 S5 -","- C257 H240 F15 Fe4 N36 O27 S5 -","- C257 H240 F15 Fe4 N36 O27 S5 -","1","1","","Han, Wang-Kang; Zhang, Hai-Xia; Wang, Yong; Liu, Wei; Yan, Xiaodong; Li, Tao; Gu, Zhi-Guo","Tetrahedral metal-organic cages with cube-like cavities for selective encapsulation of fullerene guests and their spin-crossover properties.","Chemical communications (Cambridge, England)","2018","54","89","12646","12649","10.1039/c8cc06652c","","","0.71073","MoKα","","0.1466","0.0756","","","0.1717","0.1902","","","","","","1.041","","","","has coordinates,has disorder","228266","2020-10-21","18:00:00",""
"7122447","23.752","0.0011","23.752","0.0011","49.776","0.005","90","","90","","120","","24319","3","173","2","173","2","","","","","","","","7","P 32","P 32","145","","","","- C283 H252 F21 Fe4 N36 O33 S7 -","- C283 H252 F21 Fe4 N36 O33 S7 -","- C849 H756 F63 Fe12 N108 O99 S21 -","3","1","","Han, Wang-Kang; Zhang, Hai-Xia; Wang, Yong; Liu, Wei; Yan, Xiaodong; Li, Tao; Gu, Zhi-Guo","Tetrahedral metal-organic cages with cube-like cavities for selective encapsulation of fullerene guests and their spin-crossover properties.","Chemical communications (Cambridge, England)","2018","54","89","12646","12649","10.1039/c8cc06652c","","","0.71073","MoKα","","0.1366","0.0788","","","0.1967","0.2439","","","","","","1.192","","","","has coordinates,has disorder","228266","2020-10-21","18:00:00",""
"7122448","13.755","0.0019","13.9164","0.0017","13.9779","0.0019","87.306","0.006","60.676","0.006","88.417","0.006","2330.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H43 F9 O10 P3 S3 -","- C40 H44 F9 O10 P3 S3 -","- C80 H88 F18 O20 P6 S6 -","2","1","","Bayne, J. M.; Fasano, V.; Szkop, K. M.; Ingleson, M. J.; Stephan, D. W.","Phosphorous(v) Lewis acids: water/base tolerant P<sub>3</sub>-trimethylated trications.","Chemical communications (Cambridge, England)","2018","54","88","12467","12470","10.1039/c8cc06564k","","","0.71073","MoKα","","0.0889","0.0543","","","0.1368","0.1534","","","","","","1.04","","","","has coordinates","228192","2020-10-21","18:00:00",""
"7122449","12.7151","0.0009","14.6939","0.0011","15.3772","0.0012","77.042","0.002","81.897","0.002","72.53","0.003","2662.3","0.3","396","2","396","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H55 F9 N O10 P3 S3 -","- C50 H55 F9 N O10 P3 S3 -","- C100 H110 F18 N2 O20 P6 S6 -","2","1","","Bayne, J. M.; Fasano, V.; Szkop, K. M.; Ingleson, M. J.; Stephan, D. W.","Phosphorous(v) Lewis acids: water/base tolerant P<sub>3</sub>-trimethylated trications.","Chemical communications (Cambridge, England)","2018","54","88","12467","12470","10.1039/c8cc06564k","","","0.71073","MoKα","","0.0692","0.0485","","","0.1235","0.1353","","","","","","1.035","","","","has coordinates","228192","2020-10-21","18:00:00",""
"7122450","10.6386","0.0004","19.7299","0.0005","12.606","0.0004","90","","104.558","0.003","90","","2561.03","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N O2 S -","- C32 H25 N O2 S -","- C128 H100 N4 O8 S4 -","4","1","","Zhang, Jingyi; Li, Siqi; Qiao, Yan; Peng, Cheng; Wang, Xiao-Na; Chang, Junbiao","Metal-free cycloisomerizations of o-alkynylbiaryls.","Chemical communications (Cambridge, England)","2018","54","88","12455","12458","10.1039/c8cc05484c","","x-ray","1.54184","CuKα","","0.0829","0.0615","","","0.1815","0.2051","","","","","","1.047","","","","has coordinates","228194","2020-10-21","18:00:00",""
"7122451","11.7002","0.0003","17.2942","0.0005","12.6635","0.0004","90","","91.842","0.002","90","","2561.08","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B3 P -","- C30 H34 B3 P -","- C120 H136 B12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","A convenient route to internally phosphane-stabilized aryltriborane(7) compounds.","Chemical communications (Cambridge, England)","2018","54","89","12606","12609","10.1039/c8cc06728g","","","1.54178","CuKα","","0.0619","0.049","","","0.1197","0.1276","","","","","","1.055","","","","has coordinates","228270","2020-10-21","18:00:00",""
"7122452","7.9924","0.0002","15.6376","0.0005","33.0811","0.0013","90","","90","","90","","4134.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br P -","- C24 H26 Br P -","- C192 H208 Br8 P8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","A convenient route to internally phosphane-stabilized aryltriborane(7) compounds.","Chemical communications (Cambridge, England)","2018","54","89","12606","12609","10.1039/c8cc06728g","","","0.71073","MoKα","","0.0998","0.0712","","","0.1291","0.146","","","","","","1.13","","","","has coordinates","228270","2020-10-21","18:00:00",""
"7122453","15.0735","0.0004","15.1214","0.0004","19.54","0.0006","84.907","0.002","81.768","0.002","86.11","0.001","4383.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 B3 F10 P -","- C42 H32 B3 F10 P -","- C168 H128 B12 F40 P4 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","A convenient route to internally phosphane-stabilized aryltriborane(7) compounds.","Chemical communications (Cambridge, England)","2018","54","89","12606","12609","10.1039/c8cc06728g","","","0.71073","MoKα","","0.1371","0.0832","","","0.2093","0.2374","","","","","","1.104","","","","has coordinates","228270","2020-10-21","18:00:00",""
"7122454","6.5952","0.0003","8.1944","0.0003","34.4405","0.0011","90","","90","","90","","1861.29","0.12","294.2","0.2","294.2","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 I N3 O2 -","- C18 H20 I N3 O2 -","- C72 H80 I4 N12 O8 -","4","1","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","x-ray","1.54184","CuKα","","0.0779","0.0722","","","0.1912","0.2003","","","","","","1.02","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122455","12.05","0.006","12.052","0.007","16.964","0.016","90.01","0.03","90.05","0.02","90.012","0.011","2464","3","300","2","300","2","","","","","","","","5","P 1","P 1","1","","","","- C23.9 H24 I N3 O3 -","- C23.9 H24 I N3 O3 -","- C95.6 H96 I4 N12 O12 -","4","4","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","0.71073","MoKα","","0.0899","0.0674","","","0.1918","0.2115","","","","","","1.066","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122456","8.1154","0.0011","9.9402","0.0013","10.784","0.0014","78.245","0.005","87.577","0.006","69.347","0.005","796.54","0.18","300","2","300","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","- C34 H44 N4 O4 -","1","1","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","1.54178","CuKα","","0.0346","0.0324","","","0.0836","0.0861","","","","","","1.048","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122457","20.73104","0.00017","15.56761","0.00012","24.0468","0.0002","90","","103.086","0.0009","90","","7559.15","0.11","140.2","0.2","140.2","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H74 F12 N8 O13 S4 Zn -","- C50 H74 F12 N8 O13 S4 Zn -","- C200 H296 F48 N32 O52 S16 Zn4 -","4","2","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","","1.54184","CuKα","","0.0688","0.0633","","","0.1708","0.1774","","","","","","1.03","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122458","14.3499","0.0003","16.3659","0.0003","18.7206","0.0003","112.433","0.002","94.237","0.002","102.687","0.002","3903.5","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C295 H52 Br4 N8 S6 -","- C295 H52 Br4 N8 S6 -","- C295 H52 Br4 N8 S6 -","1","0.5","","Liu, Tong-Xin; Yue, Shuaishuai; Wei, Changgeng; Ma, Nana; Zhang, Pengling; Liu, Qingfeng; Zhang, Guisheng","Solvent-promoted catalyst-free regioselective N-incorporation multicomponent domino reaction: rapid assembly of π-functionalized [60]fullerene-fused dihydrocarbolines.","Chemical communications (Cambridge, England)","2018","54","95","13331","13334","10.1039/c8cc07580h","","","1.54184","CuKα","","0.056","0.0536","","","0.1581","0.1606","","","","","","1.027","","","","has coordinates","228528","2020-10-21","18:00:00",""
"7122459","11.1561","0.0016","17.898","0.003","28.868","0.004","105.722","0.004","93.827","0.004","103.427","0.004","5344.8","1.4","173.15","0.02","173.15","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C40 H60 Gd N79 Ni10 O17 -","- C40 H60 Gd N79 Ni10 O17 -","- C80 H120 Gd2 N158 Ni20 O34 -","2","1","","Krause, Jasmin; Alexandropoulos, Dimitris I.; Carrella, Luca M.; Rentschler, Eva; Stamatatos, Theocharis C.","Increasing the nuclearity and spin ground state in a new family of ferromagnetically-coupled {Ni<sub>10</sub>} disk-like complexes bearing exclusively end-on bridging azido ligands.","Chemical communications (Cambridge, England)","2018","54","88","12499","12502","10.1039/c8cc07722c","","x-ray","0.71073","MoKα","","0.226","0.1433","","","0.2949","0.3313","","","","","","1.064","","","","has coordinates,has disorder","228196","2020-10-21","18:00:00",""
"7122460","11.0684","0.0012","14.2915","0.0016","16.0071","0.0014","78.715","0.009","84.321","0.008","81.693","0.009","2450.5","0.4","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 N77 Ni10 O15 Y -","- C36 H54 N77 Ni10 O15 Y -","- C36 H54 N77 Ni10 O15 Y -","1","0.5","","Krause, Jasmin; Alexandropoulos, Dimitris I.; Carrella, Luca M.; Rentschler, Eva; Stamatatos, Theocharis C.","Increasing the nuclearity and spin ground state in a new family of ferromagnetically-coupled {Ni<sub>10</sub>} disk-like complexes bearing exclusively end-on bridging azido ligands.","Chemical communications (Cambridge, England)","2018","54","88","12499","12502","10.1039/c8cc07722c","","","1.54184","CuKα","","0.1195","0.0537","","","0.1177","0.1482","","","","","","0.85","","","","has coordinates,has disorder","228196","2020-10-21","18:00:00",""
"7122461","11.16","0.002","19.509","0.004","23.698","0.004","106.432","0.004","91.339","0.004","94.085","0.004","4931.1","1.6","173.15","0.02","173.15","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C36 H54 N77 Ni10 O17 Tb -","- C36 H54 N77 Ni10 O17 Tb -","- C72 H108 N154 Ni20 O34 Tb2 -","2","1","","Krause, Jasmin; Alexandropoulos, Dimitris I.; Carrella, Luca M.; Rentschler, Eva; Stamatatos, Theocharis C.","Increasing the nuclearity and spin ground state in a new family of ferromagnetically-coupled {Ni<sub>10</sub>} disk-like complexes bearing exclusively end-on bridging azido ligands.","Chemical communications (Cambridge, England)","2018","54","88","12499","12502","10.1039/c8cc07722c","","x-ray","0.71073","MoKα","","0.1362","0.0652","","","0.1353","0.1641","","","","","","1.016","","","","has coordinates,has disorder","228196","2020-10-21","18:00:00",""
"7122462","11.165","0.002","19.456","0.004","23.633","0.005","106.086","0.006","91.383","0.006","93.738","0.006","4917.4","1.7","173.15","0.02","173.15","0.02","","","","","","","","6","P -1","-P 1","2","","","","- C35 H52.5 Dy N77 Ni10 O16 -","- C35 H52.5 Dy N77 Ni10 O16 -","- C70 H105 Dy2 N154 Ni20 O32 -","2","1","","Krause, Jasmin; Alexandropoulos, Dimitris I.; Carrella, Luca M.; Rentschler, Eva; Stamatatos, Theocharis C.","Increasing the nuclearity and spin ground state in a new family of ferromagnetically-coupled {Ni<sub>10</sub>} disk-like complexes bearing exclusively end-on bridging azido ligands.","Chemical communications (Cambridge, England)","2018","54","88","12499","12502","10.1039/c8cc07722c","","x-ray","0.71073","MoKα","","0.3184","0.0882","","","0.1777","0.2643","","","","","","0.847","","","","has coordinates,has disorder","228196","2020-10-21","18:00:00",""
"7122463","10.5276","0.0008","13.9902","0.0011","16.3421","0.0011","111.959","0.003","96.047","0.004","92.045","0.004","2212.5","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cr2 K O6 -","- C32 H40 Cr2 K O6 -","- C96 H120 Cr6 K3 O18 -","3","1.5","","Labrum, Nicholas S.; Losovyj, Yaroslav; Caulton, Kenneth G.","A new access route to dimetal sandwich complexes, including a radical anion.","Chemical communications (Cambridge, England)","2018","54","87","12397","12399","10.1039/c8cc05204b","","","0.71073","MoKα","","0.0625","0.0375","","0.1004","0.0879","0.1004","","","","","","0.9867","","","","has coordinates","228613","2020-10-21","18:00:00",""
"7122464","13.2268","0.0008","6.9147","0.0004","33.035","0.002","90","","99.015","0.003","90","","2984","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.08 H23.17 Cl3.17 O5 -","- C33.25 H21.5 Cl1.5 O5 -","- C133 H86 Cl6 O20 -","4","2","","Chen, Yi-Ru; Ganapuram, Madhusudhan Reddy; Hsieh, Kai-Hong; Chen, Kai-Han; Karanam, Praneeth; Vagh, Sandip Sambhaji; Liou, Yan-Cheng; Lin, Wenwei","3-Homoacyl coumarin: an all carbon 1,3-dipole for enantioselective concerted (3+2) cycloaddition.","Chemical communications (Cambridge, England)","2018","54","90","12702","12705","10.1039/c8cc07271j","","","0.71073","MoKα","","0.0979","0.0734","","","0.2069","0.2294","","","","","","1.092","","","","has coordinates,has disorder","228320","2020-10-21","18:00:00",""
"7122465","13.0911","0.0014","6.4907","0.0007","11.9991","0.0014","90","","105.112","0.004","90","","984.31","0.19","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0361","0.0264","","","0.0792","0.0886","","","","","","1.047","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122466","6.2753","0.0007","8.0957","0.001","18.757","0.002","90","","90","","90","","952.91","0.19","100","","100","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.5","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0495","0.0385","","","0.092","0.0984","","","","","","1.12","","","","has coordinates","228471","2020-10-21","18:00:00",""
"7122467","6.3484","0.0004","8.1538","0.0006","18.6895","0.0012","90","","90","","90","","967.44","0.11","225","","225","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.091","0.0794","","","0.1721","0.1776","","","","","","1.268","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122468","6.3306","0.0004","8.141","0.0005","18.7077","0.0011","90","","90","","90","","964.15","0.1","200","","200","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.5","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0566","0.044","","","0.1158","0.1336","","","","","","1.222","","","","has coordinates","228471","2020-10-21","18:00:00",""
"7122469","6.2961","0.0006","8.1146","0.0008","18.7357","0.0017","90","","90","","90","","957.21","0.16","150","","150","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.5","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0493","0.0416","","","0.1081","0.1208","","","","","","1.256","","","","has coordinates","228471","2020-10-21","18:00:00",""
"7122470","6.3929","0.0004","8.1734","0.0006","18.6898","0.0012","90","","90","","90","","976.57","0.11","298","","298","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0921","0.0699","","","0.1933","0.2161","","","","","","1.165","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122471","6.3632","0.0004","8.1603","0.0006","18.6843","0.0012","90","","90","","90","","970.19","0.11","250","","250","","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C16 H16 Au2 N10 -","- C16 H16 Au2 N10 -","- C32 H32 Au4 N20 -","2","0.25","","Liu, Qi; Xie, Mo; Chang, Xiaoyong; Gao, Qin; Chen, Yong; Lu, Wei","Correlating thermochromic and mechanochromic phosphorescence with polymorphs of a complex gold(i) double salt with infinite aurophilicity.","Chemical communications (Cambridge, England)","2018","54","91","12844","12847","10.1039/c8cc05210g","","x-ray","0.71073","MoKα","","0.0886","0.0718","","","0.1881","0.2015","","","","","","1.276","","","","has coordinates,has disorder","228471","2020-10-21","18:00:00",""
"7122472","24.3097","0.0005","24.3097","0.0005","14.977","0.0005","90","","90","","90","","8850.8","0.4","150","2","150","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-53","","","- C76 H30 F24 O34 Zr6 -","- C76 H30 F24 O34 Zr6 -","- C152 H60 F48 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Qiu, Qian-Feng; Pan, Mei; Cao, Chen-Chen; Zhu, Neng-Xiu; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Su, Cheng-Yong","Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores.","Chemical communications (Cambridge, England)","2018","54","97","13666","13669","10.1039/c8cc07441k","","","1.54184","CuKα","","0.1261","0.1056","","","0.2901","0.315","","","","","","1.054","","","","has coordinates,has disorder","228024","2020-10-21","18:00:00",""
"7122473","24.3839","0.0002","24.3839","0.0002","14.8719","0.0005","90","","90","","90","","8842.5","0.3","150","2","150","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","LIFM-51","","","- C80 H32 F24 O34 Zr6 -","- C80 H32 F24 O34 Zr6 -","- C160 H64 F48 O68 Zr12 -","2","0.125","","Chen, Cheng-Xia; Qiu, Qian-Feng; Pan, Mei; Cao, Chen-Chen; Zhu, Neng-Xiu; Wang, Hai-Ping; Jiang, Ji-Jun; Wei, Zhang-Wen; Su, Cheng-Yong","Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores.","Chemical communications (Cambridge, England)","2018","54","97","13666","13669","10.1039/c8cc07441k","","","1.54178","CuKα","","0.1168","0.0968","","","0.2707","0.2901","","","","","","1.109","","","","has coordinates,has disorder","228024","2020-10-21","18:00:00",""
"7122474","13.5829","0.0004","20.0799","0.0005","11.563","0.0003","90","","90.845","0.001","90","","3153.39","0.15","90","0.2","90","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F12 N8 P2 Ru -","- C28 H24 F12 N8 P2 Ru -","- C112 H96 F48 N32 P8 Ru4 -","4","0.5","","Havrylyuk, Dmytro; Deshpande, Megha; Parkin, Sean; Glazer, Edith C.","Ru(ii) complexes with diazine ligands: electronic modulation of the coordinating group is key to the design of ""dual action"" photoactivated agents.","Chemical communications (Cambridge, England)","2018","54","88","12487","12490","10.1039/c8cc05809a","","","1.54178","CuKα","","0.0221","0.0219","","","0.0605","0.0608","","","","","","1.11","","","","has coordinates","228195","2020-10-21","18:00:00",""
"7122475","21.4835","0.0004","10.2495","0.0002","17.1972","0.0004","90","","125.539","0.001","90","","3081.35","0.12","90","0.2","90","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 F12 N8 P2 Ru -","- C28 H24 F12 N8 P2 Ru -","- C112 H96 F48 N32 P8 Ru4 -","4","0.5","","Havrylyuk, Dmytro; Deshpande, Megha; Parkin, Sean; Glazer, Edith C.","Ru(ii) complexes with diazine ligands: electronic modulation of the coordinating group is key to the design of ""dual action"" photoactivated agents.","Chemical communications (Cambridge, England)","2018","54","88","12487","12490","10.1039/c8cc05809a","","","1.54178","CuKα","","0.0402","0.0346","","","0.0885","0.0911","","","","","","1.076","","","","has coordinates,has disorder","228195","2020-10-21","18:00:00",""
"7122476","11.7503","0.001","12.5328","0.0011","15.207","0.0014","89.784","0.004","88.66","0.004","68.23","0.004","2079.1","0.3","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C40 H52 Cl2 Cu N5 Si -","- C40 H52 Cl2 Cu N5 Si -","- C80 H104 Cl4 Cu2 N10 Si2 -","2","1","","Frisch, Philipp; Inoue, Shigeyoshi","Coinage metal complexes of NHC-stabilized silyliumylidene ions.","Chemical communications (Cambridge, England)","2018","54","97","13658","13661","10.1039/c8cc07754a","","x-ray","0.71073","MoKα","","0.0389","0.0326","","","0.0801","0.0832","","","","","","1.025","","","","has coordinates","228025","2020-10-21","18:00:00",""
"7122477","11.8216","0.0004","12.5459","0.0005","15.1586","0.0006","89.892","0.001","88.954","0.001","68.401","0.001","2089.97","0.14","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C42 H55 Au Cl2 N6 Si -","- C42 H55 Au Cl2 N6 Si -","- C84 H110 Au2 Cl4 N12 Si2 -","2","1","","Frisch, Philipp; Inoue, Shigeyoshi","Coinage metal complexes of NHC-stabilized silyliumylidene ions.","Chemical communications (Cambridge, England)","2018","54","97","13658","13661","10.1039/c8cc07754a","","x-ray","0.71073","MoKα","","0.0138","0.0135","","","0.0344","0.0346","","","","","","1.1","","","","has coordinates,has disorder","228025","2020-10-21","18:00:00",""
"7122478","9.656","0.002","10.844","0.003","19.427","0.005","76.21","0.007","79.39","0.008","88.399","0.007","1941.5","0.8","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C16 H27 Au Cl N5 -","- C16 H27 Au Cl N5 -","- C64 H108 Au4 Cl4 N20 -","4","2","","Frisch, Philipp; Inoue, Shigeyoshi","Coinage metal complexes of NHC-stabilized silyliumylidene ions.","Chemical communications (Cambridge, England)","2018","54","97","13658","13661","10.1039/c8cc07754a","","x-ray","0.71073","MoKα","","0.0273","0.0255","","","0.0698","0.0711","","","","","","1.066","","","","has coordinates","228025","2020-10-21","18:00:00",""
"7122479","9.2078","0.0005","15.2562","0.0007","17.3518","0.0008","86.901","0.002","74.733","0.002","74.546","0.002","2266.13","0.19","100","","100","","","","","","","","see text","9","P -1","-P 1","2","","","","- C74 H110 Ag2 Cl2 F6 N8 O6 S2 Si2 -","- C74 H110 Ag2 Cl2 F6 N8 O6 S2 Si2 -","- C74 H110 Ag2 Cl2 F6 N8 O6 S2 Si2 -","1","0.5","","Frisch, Philipp; Inoue, Shigeyoshi","Coinage metal complexes of NHC-stabilized silyliumylidene ions.","Chemical communications (Cambridge, England)","2018","54","97","13658","13661","10.1039/c8cc07754a","","x-ray","0.71073","MoKα","","0.0297","0.0261","","","0.0625","0.064","","","","","","1.061","","","","has coordinates,has disorder","228025","2020-10-21","18:00:00",""
"7122480","28.241","0.002","24.601","0.002","17.0773","0.0013","90","","125.378","0.002","90","","9673.8","1.3","100","","100","","","","","","","","see text","9","C 1 2/c 1","-C 2yc","15","","","","- C43 H55 Ag Cl F3 N6 O3 S Si -","- C43 H55 Ag Cl F3 N6 O3 S Si -","- C344 H440 Ag8 Cl8 F24 N48 O24 S8 Si8 -","8","1","","Frisch, Philipp; Inoue, Shigeyoshi","Coinage metal complexes of NHC-stabilized silyliumylidene ions.","Chemical communications (Cambridge, England)","2018","54","97","13658","13661","10.1039/c8cc07754a","","x-ray","0.71073","MoKα","","0.0559","0.0403","","","0.0951","0.1024","","","","","","1.065","","","","has coordinates","228025","2020-10-21","18:00:00",""
"7122481","9.7923","0.0013","17.627","0.002","15.121","0.002","90","","91.028","0.002","90","","2609.6","0.6","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C128 H112 N16 O8 -","4","1","","Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin","NaHS·nH<sub>2</sub>O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.","Chemical communications (Cambridge, England)","2018","54","90","12730","12733","10.1039/c8cc07599a","","","0.71073","MoKα","","0.0492","0.0374","","","0.0883","0.0949","","","","","","1.059","","","","has coordinates","228321","2020-10-21","18:00:00",""
"7122482","5.7269","0.0007","28.551","0.004","8.8421","0.0011","90","","103.507","0.002","90","","1405.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","","Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin","NaHS·nH<sub>2</sub>O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.","Chemical communications (Cambridge, England)","2018","54","90","12730","12733","10.1039/c8cc07599a","","","0.71073","MoKα","","0.0433","0.039","","","0.0939","0.0963","","","","","","1.129","","","","has coordinates","228321","2020-10-21","18:00:00",""
"7122483","52.223","0.002","15.6152","0.0006","7.4921","0.0002","90","","90","","90","","6109.6","0.4","100","1","100","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C300 H276 N12 O48 -","12","3","","Mambrini, Antonin; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Oxidative coupling of enolates using memory of chirality: an original enantioselective synthesis of quaternary α-amino acid derivatives.","Chemical communications (Cambridge, England)","2018","54","90","12742","12745","10.1039/c8cc06864j","","x-ray","1.54178","CuKα","","0.1634","0.0788","","","0.1485","0.1855","","","","","","0.981","","","","has coordinates","228322","2020-10-21","18:00:00",""
"7122484","18.886","0.004","32.064","0.006","25.879","0.005","90","","104.04","0.03","90","","15203","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tb1","","- C96 H82 N24 O32 Tb4 -","- C96 H82 N24 O32 Tb4 -","- C384 H328 N96 O128 Tb16 -","4","1","","Wang, Xiaoning; Li, Jia-Luo; Jiang, Chenggang; Hu, Peng; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai","An efficient strategy for improving the luminescent sensing performance of a terbium(iii) metal-organic framework towards multiple substances.","Chemical communications (Cambridge, England)","2018","54","94","13271","13274","10.1039/c8cc07369d","","","0.71073","MoKα","","0.1158","0.1148","","","0.2914","0.2919","","","","","","1.087","","","","has coordinates","228370","2020-10-21","18:00:00",""
"7122485","18.041","0.004","12.292","0.003","11.066","0.002","90","","94.663","0.003","90","","2445.9","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Organic","","- C32 H27 N O2 -","- C32 H27 N O2 -","- C128 H108 N4 O8 -","4","1","","Qiu, Huang; Arman, Hadi; Hu, Wenhao; Doyle, Michael P.","Intramolecular cycloaddition/rearrangement cascade from gold(iii)-catalysed reactions of propargyl aryldiazoesters with cinnamyl imines.","Chemical communications (Cambridge, England)","2018","54","91","12828","12831","10.1039/c8cc07885h","","","0.71073","MoKα","","0.1294","0.0544","","","0.0797","0.098","","","","","","1.069","","","","has coordinates","228468","2020-10-21","18:00:00",""
"7122486","23.5586","0.0007","23.5586","0.0007","24.6516","0.0009","90","","90","","90","","13681.8","0.8","100","2","100","2","","","","","","","","6","I -4","I -4","82","ST02B","","","- C52 H16 B Cu F16 N4 -","- C52 H16 B Cu F16 N4 -","- C416 H128 B8 Cu8 F128 N32 -","8","1","","Thapa, Sheela; Hettiarachchi, Eshani; Dickie, Diane A.; Rubasinghege, Gayan; Qin, Yang","A charge-separated diamondoid metal-organic framework.","Chemical communications (Cambridge, England)","2018","54","89","12654","12657","10.1039/c8cc07098a","","","0.71073","MoKα","","0.0459","0.0314","","","0.0657","0.0697","","","","","","0.937","","","","has coordinates","228267","2020-10-21","18:00:00",""
"7122487","7.3307","0.0004","20.5418","0.0009","8.597","0.0004","90","","90","","90","","1294.59","0.11","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-(-)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","x-ray","1.54184","CuKα","","0.0968","0.0952","","","0.237","0.2388","","","","","","1.073","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122488","21.431","0.0013","8.483","0.0018","7.516","0.003","90","","90","","90","","1366.4","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","R,S-2-(2,6-dimethylphenoxy)-N-(2-hydroxybutyl)acetamide","","- C14 H20 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","0.71073","MoKα","","0.1133","0.0851","","","0.1979","0.215","","","","3.032","3.032","1.092","","","","has coordinates,has disorder","230139","2020-10-21","18:00:00",""
"7122489","7.3182","0.0008","20.524","0.002","8.5965","0.0012","90","","90","","90","","1291.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S-(+)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","1.5418","CuKα","","0.0998","0.0913","","","0.2315","0.2408","","","","","","1.076","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122490","16.1763","0.0009","20.0396","0.0011","21.3747","0.0012","66.358","0.001","76.628","0.002","78.423","0.002","6129.9","0.6","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C99 H114 N18 -","- C99 H114 N18 -","- C198 H228 N36 -","2","1","","Saini, Meenaxi; Verma, Ashish; Tomar, Kapil; Bharadwaj, Parimal K.; Sadhu, Kalyan K.","Regioisomeric cryptand stabilized gold supraspheres and elongated dodecahedron supraparticles for reversible host-guest chemistry.","Chemical communications (Cambridge, England)","2018","54","91","12836","12839","10.1039/c8cc07589a","","","0.71073","MoKα","","0.1672","0.0826","","","0.2221","0.2624","","","","","","1.065","","","","has coordinates","228465","2020-10-21","18:00:00",""
"7122491","16.109","0.002","16.909","0.002","18.673","0.003","63.434","0.002","79.805","0.002","88.801","0.002","4467.6","1.1","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H88 N27 O21 Pu2 -","- C76 H88 N27 O21 Pu2 -","- C152 H176 N54 O42 Pu4 -","2","1","","Reilly, Sean D.; Su, Jing; Keith, Jason M.; Yang, Ping; Batista, Enrique R.; Gaunt, Andrew J.; Harwood, Laurence M.; Hudson, Michael J.; Lewis, Frank W.; Scott, Brian L.; Sharrad, Clint A.; Whittaker, Daniel M.","Plutonium coordination and redox chemistry with the CyMe<sub>4</sub>-BTPhen polydentate N-donor extractant ligand.","Chemical communications (Cambridge, England)","2018","54","89","12582","12585","10.1039/c8cc06015k","","","0.71073","MoKα","","0.1049","0.0566","","","0.1136","0.1253","","","","","","1.325","","","","has coordinates","228268","2020-10-21","18:00:00",""
"7122492","13.47","0.003","15.343","0.003","12.671","0.003","90","","113.48","0.03","90","","2401.9","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C96 H128 N8 O16 -","4","0.5","","Kishore, M. V. Nanda; Panda, Pradeepta K.","Revisiting the intense NIR active bronzaphyrin, a 26-π aromatic expanded porphyrin: synthesis and structural analysis.","Chemical communications (Cambridge, England)","2018","54","93","13135","13138","10.1039/c8cc07752e","","","0.71073","MoKα","","0.074","0.0618","","","0.1724","0.1844","","","","","","1.029","","","","has coordinates","228131","2020-10-21","18:00:00",""
"7122493","12.4875","0.0004","12.9069","0.0004","16.8517","0.0006","90","","98.078","0.001","90","","2689.12","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bronzaphyrin","Octaethyldithiabronzaphyrin","","- C52 H54 F12 N4 O8 S2 -","- C52 H54 F12 N4 O8 S2 -","- C104 H108 F24 N8 O16 S4 -","2","0.5","","Kishore, M. V. Nanda; Panda, Pradeepta K.","Revisiting the intense NIR active bronzaphyrin, a 26-π aromatic expanded porphyrin: synthesis and structural analysis.","Chemical communications (Cambridge, England)","2018","54","93","13135","13138","10.1039/c8cc07752e","","","0.71073","MoKα","","0.0751","0.0605","","","0.1541","0.1648","","","","","","0.992","","","","has coordinates","228131","2020-10-21","18:00:00",""
"7122494","29.8651","0.0005","9.3064","0.0002","16.4107","0.0003","90","","120.991","0.001","90","","3910.02","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Au Cl2 N4 -","- C20 H19 Au Cl2 N4 -","- C160 H152 Au8 Cl16 N32 -","8","1","","Bente, Stefanie; Kampert, Florian; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Site-selective metallation of dicarbene precursors.","Chemical communications (Cambridge, England)","2018","54","91","12887","12890","10.1039/c8cc08440h","","","0.71073","MoKα","","0.0323","0.0292","","","0.0728","0.0742","","","","","","1.09","","","","has coordinates","228472","2020-10-21","18:00:00",""
"7122495","14.0786","0.0002","11.8861","0.0002","11.9437","0.0002","90","","96.767","0.001","90","","1984.73","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl I N4 -","- C20 H20 Cl I N4 -","- C80 H80 Cl4 I4 N16 -","4","1","","Bente, Stefanie; Kampert, Florian; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Site-selective metallation of dicarbene precursors.","Chemical communications (Cambridge, England)","2018","54","91","12887","12890","10.1039/c8cc08440h","","","0.71073","MoKα","","0.038","0.0278","","","0.0568","0.0616","","","","","","1.102","","","","has coordinates","228472","2020-10-21","18:00:00",""
"7122496","10.7045","0.0001","14.7865","0.0002","15.7768","0.0002","90","","90.904","0.001","90","","2496.87","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Au Cl2 N4 -","- C27 H25 Au Cl2 N4 -","- C108 H100 Au4 Cl8 N16 -","4","1","","Bente, Stefanie; Kampert, Florian; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Site-selective metallation of dicarbene precursors.","Chemical communications (Cambridge, England)","2018","54","91","12887","12890","10.1039/c8cc08440h","","","0.71073","MoKα","","0.0254","0.0188","","","0.0419","0.0442","","","","","","1.027","","","","has coordinates","228472","2020-10-21","18:00:00",""
"7122497","38.16","0.002","19.3493","0.0011","28.0802","0.0017","90","","112.666","0.003","90","","19132.2","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C90 H80 Au Cl2 F6 N8 P3 Pd2 -","- C90 H80 Au Cl2 F6 N8 P3 Pd2 -","- C720 H640 Au8 Cl16 F48 N64 P24 Pd16 -","8","1","","Bente, Stefanie; Kampert, Florian; Tan, Tristan T. Y.; Hahn, F. Ekkehardt","Site-selective metallation of dicarbene precursors.","Chemical communications (Cambridge, England)","2018","54","91","12887","12890","10.1039/c8cc08440h","","","0.71073","MoKα","","0.0503","0.0331","","","0.0828","0.0907","","","","","","0.954","","","","has coordinates,has disorder","228472","2020-10-21","18:00:00",""
"7122498","15.6081","0.0006","6.1955","0.0002","21.7106","0.0008","90","","107.33","0.004","90","","2004.11","0.13","293","2","293","2","","","","","","","Synthesized compound","3","P 1 21/n 1","-P 2yn","14","methyl (3R,4S)-4-(2-oxo-2-phenylethyl)-3-phenylisochromane-3-carboxylate","methyl (3R,4S)-4-(2-oxo-2-phenylethyl)-3-phenylisochromane-3-carboxylate","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Alavala, Gopi Krishna Reddy; Sajjad, Farrukh; Shi, Taoda; Kang, Zhenghui; Ma, Mingliang; Xing, Dong; Hu, Wenhao","Diastereoselective synthesis of isochromans via the Cu(ii)-catalysed intramolecular Michael-type trapping of oxonium ylides.","Chemical communications (Cambridge, England)","2018","54","89","12650","12653","10.1039/c8cc06390g","","x-ray","1.54184","CuKα","","0.0803","0.0514","","","0.1226","0.1349","","","","","","1.053","","","","has coordinates","228269","2020-10-21","18:00:00",""
"7122499","8.3837","0.0003","11.4748","0.0004","7.49","0.0003","90","","90","","90","","720.55","0.05","300","2","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Cs2 Na O14 Si4 U2 -","- Cs2 Na O14 Si4 U2 -","- Cs4 Na2 O28 Si8 U4 -","2","0.125","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.011","0.011","","","0.0284","0.0284","","","","","","1.207","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122500","13.8327","0.0003","7.4187","0.0002","11.5783","0.0003","90","","90","","90","","1188.17","0.05","300","2","300.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Cs2 Na O11 Si2 U2 -","- Cs2 Na O11 Si2 U2 -","- Cs8 Na4 O44 Si8 U8 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0166","0.0155","","","0.0351","0.0355","","","","","","1.18","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122501","8.3008","0.0002","11.3013","0.0003","7.4374","0.0002","90","","90","","90","","697.7","0.03","300","2","300","","","","","","","","","5","C m m m","-C 2 2","65","","","","- Na O14 Rb2 Si4 U2 -","- Na O14 Rb2 Si4 U2 -","- Na2 O28 Rb4 Si8 U4 -","2","0.125","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0243","0.0243","","","0.0701","0.0701","","","","","","1.196","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122502","8.3067","0.0002","11.1188","0.0003","14.7604","0.0004","90","","90","","90","","1363.28","0.06","300","2","300.01","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- K2 Na O14 Si4 U2 -","- K2 Na O14 Si4 U2 -","- K8 Na4 O56 Si16 U8 -","4","0.25","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0117","0.0111","","","0.035","0.0354","","","","","","1.144","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122503","13.6169","0.0004","7.3529","0.0002","11.4921","0.0004","90","","90","","90","","1150.63","0.06","300","2","300.01","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- Na O11 Rb2 Si2 U2 -","- Na O11 Rb2 Si2 U2 -","- Na4 O44 Rb8 Si8 U8 -","4","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Morrison, Gregory; Zur Loye, Hans-Conrad","Moderate supercritical synthesis as a facile route to mixed-valent uranium(iv,v) and (v,vi) silicates.","Chemical communications (Cambridge, England)","2018","54","98","13794","13797","10.1039/c8cc07789d","","","0.71073","MoKα","","0.0261","0.0256","","","0.0636","0.0639","","","","","","1.232","","","","has coordinates","228256","2020-10-21","18:00:00",""
"7122504","8.5757","0.0007","10.724","0.0009","11.5979","0.0007","64.62","0.007","77.985","0.007","71.245","0.007","909.41","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F7 N3 -","- C20 H12 F7 N3 -","- C40 H24 F14 N6 -","2","1","","Xie, Ting; Zhang, Yao-Wei; Liu, Li-Li; Shen, Zhi-Liang; Loh, Teck-Peng; Chu, Xue-Qiang","Polycyclic heteroaromatic ring construction driven by silver/cobalt co-catalyzed desulfonylative and defluorinative fragment-recombination of enol nonaflates with amidines.","Chemical communications (Cambridge, England)","2018","54","90","12722","12725","10.1039/c8cc07409g","","","1.54184","CuKα","","0.0896","0.0755","","","0.2192","0.2441","","","","","","1.064","","","","has coordinates","228317","2020-10-21","18:00:00",""
"7122505","16.553","0.0007","16.553","0.0007","22.1368","0.001","90","","90","","90","","6065.5","0.5","90","","90","","","","","","","","","3","I 41/a c d","-I 4bd 2c","142","","ytterbium magnesium antimonide","","- Mg Sb11 Yb13.82 -","- Mg Sb11 Yb13.8212 -","- Mg8 Sb88 Yb110.57 -","8","","","Kunz Wille, Elizabeth L.; Jo, Na Hyun; Fettinger, James C.; Canfield, Paul; Kauzlarich, Susan M.","Single crystal growth and magnetic properties of the mixed valent Yb containing Zintl phase, Yb14MgSb11","Chemical Communications","2018","","","","","10.1039/C8CC05471A","","","0.71073","MoKα","","0.0228","0.0225","","","0.052","0.0521","","","","","","1.336","","","","has coordinates","211641","2020-10-21","18:00:00",""
"7122506","10.3142","0.0005","10.6819","0.0005","25.6534","0.0013","100.702","0.003","99.312","0.004","92.569","0.003","2732.4","0.2","293","2","77","","","","","","","","","5","P -1","-P 1","2","","Ethyl (2S,3R)-2-(2-benzoyl-1-(4-bromobenzoyl)hydrazinyl)-3,7-dimethyl-3-vinyloct-6-enoate","","- C56 H66 Br2 N4 O8 -","- C56 H66 Br2 N4 O8 -","- C112 H132 Br4 N8 O16 -","2","1","","Jonker, Sybrand J. T.; Diner, Colin; Schulz, Göran; Iwamoto, Hiroaki; Eriksson, Lars; Szabó, Kálmán J","Catalytic asymmetric propargyl- and allylboration of hydrazonoesters: a metal-free approach to sterically encumbered chiral α-amino acid derivatives.","Chemical communications (Cambridge, England)","2018","54","91","12852","12855","10.1039/c8cc07908k","","","1.54184","CuKα","","0.1279","0.0705","","","0.1336","0.1558","","","","","","1.035","","","","has coordinates","228466","2020-10-21","18:00:00",""
"7122507","7.3263","0.0002","19.7481","0.0007","20.1","0.0008","82.056","0.002","85.336","0.002","80.416","0.002","2834.91","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H50 N2 O10 Zn2 -","- C72 H50 N2 O10 Zn2 -","- C144 H100 N4 O20 Zn4 -","2","1","","Liang, Xiao; Guo, Zhifen; Wei, Hongxia; Liu, Xin; Lv, Hui; Xing, Hongzhu","Selective photooxidation of sulfides mediated by singlet oxygen using visible-light-responsive coordination polymers.","Chemical communications (Cambridge, England)","2018","54","92","13002","13005","10.1039/c8cc07585a","","","0.71073","MoKα","","0.0495","0.0327","","","0.0744","0.083","","","","","","1.046","","","","has coordinates","228461","2020-10-21","18:00:00",""
"7122508","19.532","0.007","11.187","0.002","27.511","0.005","90","","93.54","0.04","90","","6000","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 N3 O7 P -","- C10 H14 N3 O7 P -","- C160 H224 N48 O112 P16 -","16","2","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.2812","0.1417","","","0.3745","0.4423","","","","","","1.132","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122509","7.0034","0.0014","19.672","0.004","12.38","0.003","90","","105.85","0.03","90","","1640.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N3 O7 P -","- C12 H18 N3 O7 P -","- C48 H72 N12 O28 P4 -","4","1","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1183","0.0781","","","0.1878","0.2043","","","","","","1.198","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122510","7.0408","0.0014","19.834","0.004","23.634","0.005","90","","90","","90","","3300.4","1.2","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C12 H16 N3 O7 P -","- C12 H16 N3 O7 P -","- C96 H128 N24 O56 P8 -","8","1","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1474","0.0995","","","0.2107","0.2374","","","","","","1.108","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122511","6.8885","0.0014","19.726","0.004","12.287","0.004","90","","107.24","0.03","90","","1594.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N3 O8 P -","- C11 H16 N3 O8 P -","- C44 H64 N12 O32 P4 -","4","1","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1877","0.1002","","","0.1755","0.2064","","","","","","1.135","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122512","11.5686","0.0015","20.037","0.003","7.0578","0.0011","90","","90","","90","","1636","0.4","353","2","353","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H16 N3 O8 P -","- C11 H13 N3 O8 P -","- C44 H52 N12 O32 P4 -","4","0.25","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1343","0.1223","","","0.3421","0.3895","","","","","","1.012","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122513","10.232","0.002","9.883","0.002","8.5961","0.0017","102.92","0.03","99.2","0.03","68.34","0.03","784.6","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H16 N3 O8 P -","- C11 H16 N3 O8 P -","- C22 H32 N6 O16 P2 -","2","2","","Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Molecular design of high-temperature organic dielectric switches.","Chemical communications (Cambridge, England)","2018","54","93","13111","13114","10.1039/c8cc07311b","","","0.71073","MoKα","","0.1166","0.0769","","","0.1921","0.2254","","","","","","1.042","","","","has coordinates","228130","2020-10-21","18:00:00",""
"7122514","14.2852","0.0006","15.3486","0.0007","16.0133","0.0007","87.769","0.004","85.092","0.004","79.626","0.004","3440","0.3","293.67","0.1","293.67","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H84 F4 I2 N4 O10 -","- C71 H84 F4 I2 N4 O10 -","- C142 H168 F8 I4 N8 O20 -","2","1","","Han, Chengyou; Zhao, Dezhi; Dong, Shengyi","Three-dimensional supramolecular polymerization based on pillar[n]arenes (n = 5, 6) and halogen bonding interactions.","Chemical communications (Cambridge, England)","2018","54","93","13099","13102","10.1039/c8cc07993e","","x-ray","1.54184","CuKα","","0.1031","0.0967","","","0.2607","0.2747","","","","","","1.041","","","","has coordinates,has disorder","228133","2020-10-21","18:00:00",""
"7122515","11.5971","0.001","5.737","0.005","12.137","0.01","90","","94.7502","0.001","90","","804.7","1","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 -","- C20 H24 -","- C40 H48 -","2","0.5","","Takahashi, Toshifumi; Kuroda, Daiki; Kuwano, Toru; Yoshida, Yuji; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed intermolecular carboiodination of alkynes with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","90","12750","12753","10.1039/c8cc07560c","","","0.71075","MoKα","","","0.046","","","","0.1942","","","","","","1.67","","","","has coordinates","228318","2020-10-21","18:00:00",""
"7122516","13.663","0.012","10.672","0.008","15.638","0.013","90","","105.433","0.007","90","","2198","3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B I O2 -","- C20 H30 B I O2 -","- C80 H120 B4 I4 O8 -","4","1","","Takahashi, Toshifumi; Kuroda, Daiki; Kuwano, Toru; Yoshida, Yuji; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed intermolecular carboiodination of alkynes with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","90","12750","12753","10.1039/c8cc07560c","","","0.71075","MoKα","","","0.1184","","","","0.35","","","","","","2.136","","","","has coordinates","228318","2020-10-21","18:00:00",""
"7122517","20.993","0.0013","17.0469","0.0008","30.788","0.002","90","","90.228","0.005","90","","11017.9","1.1","193","2","193","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- C132 H129.5 -","- C132 H129.5 -","- C528 H518 -","4","0.5","","Hu, Yunbin; Wang, Di; Baumgarten, Martin; Schollmeyer, Dieter; Müllen, Klaus; Narita, Akimitsu","Spiro-fused bis-hexa-peri-hexabenzocoronene.","Chemical communications (Cambridge, England)","2018","54","96","13575","13578","10.1039/c8cc07405d","","","1.54178","CuKα","","0.3471","0.2358","","","0.5136","0.6109","","","","","","1.508","","","","has coordinates,has disorder","228574","2020-10-21","18:00:00",""
"7122518","5.8179","0.001","11.3981","0.0019","17.623","0.003","90","","92.653","0.006","90","","1167.4","0.3","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C1.91 H2.26 N0.52 O0.52 -","- C1.91304 H2.26087 N0.521739 O0.521739 -","- C44 H52 N12 O12 -","23","5.75","","He, Kaixuan; Li, Pengfei; Zhang, Shuwei; Chen, Qian; Ji, Honghe; Yuan, Yu; Jia, Xiaodong","One-step construction of molecular complexity by tert-butyl nitrite (TBN)-initiated cascade α,β-sp<sup>3</sup> C-H bond difunctionalization and C-N bond cleavage.","Chemical communications (Cambridge, England)","2018","54","94","13232","13235","10.1039/c8cc06946h","","","0.71073","MoKα","","0.0906","0.0495","","","0.112","0.1269","","","","","","1.033","","","","has coordinates","228367","2020-10-21","18:00:00",""
"7122519","8.2861","0.001","9.8316","0.001","18.092","0.002","90","","90","","90","","1473.9","0.3","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1383","0.1193","","","0.237","0.268","","","","","","1.09","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122520","8.1993","0.0002","9.5498","0.0002","18.6176","0.0004","90","","90","","90","","1457.79","0.06","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1089","0.0973","","","0.1872","0.2007","","","","","","1.17","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122521","4.674","0.0002","12.9175","0.0007","21.3349","0.0007","90","","90","","90","","1288.12","0.1","295","2","295","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0632","0.0429","","","0.0953","0.1058","","","","","","1.032","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122522","8.8306","0.0003","10.0761","0.0003","17.1204","0.0006","90","","90","","90","","1523.34","0.09","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0425","0.0362","","","0.0849","0.0888","","","","","","1.047","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122523","7.6832","0.0002","7.5202","0.0003","11.6492","0.0004","90","","91.533","0.003","90","","672.84","0.04","294","2","294","2","","","","","","","synthetic","3","P 1 21 1","P 2yb","4","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-7-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C14 H16 O5 -","- C14 H16 O5 -","- C28 H32 O10 -","2","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0411","0.0387","","","0.0961","0.098","","","","","","1.063","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122524","11.0585","0.0004","11.4256","0.0003","11.8876","0.0004","90","","90","","90","","1502","0.08","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0419","0.0389","","","0.096","0.0977","","","","","","1.087","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122525","10.819","0.002","14.713","0.003","30.167","0.006","90","","96.24","0.03","90","","4773.5","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H70 N6 O10 -","- C48 H70 N6 O10 -","- C192 H280 N24 O40 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0674","0.061","","","0.1517","0.1566","","","","","","1.042","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122526","10.6401","0.0009","13.1077","0.0013","11.089","0.0011","90","","111.31","0.004","90","","1440.8","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N'-[(1R,2E,4R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-ylidene]-2-furohydrazide (-)","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.71073","MoKα","","0.0922","0.0469","","","0.1024","0.1221","","","","","","1.008","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122527","10.949","0.002","15.752","0.003","31.273","0.006","90","","98.92","0.03","90","","5328.4","1.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H74 N6 O8 -","- C58 H74 N6 O8 -","- C232 H296 N24 O32 -","4","2","","Kovaleva, Kseniya S.; Zubkov, Fedor I.; Bormotov, Nikolay I.; Novikov, Roman A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Gatilov, Yuriy V.; Zarubaev, Vladimir V.; Yarovaya, Olga I.; Shishkina, Larisa N.; Salakhutdinov, Nariman F.","Synthesis of d-(+)-camphor-based <i>N</i>-acylhydrazones and their antiviral activity.","MedChemComm","2018","9","12","2072","2082","10.1039/c8md00442k","","","0.80246","synchrotron","","0.0975","0.0751","","","0.1601","0.1779","","","","","","1.012","","","","has coordinates","230143","2020-10-21","18:00:00",""
"7122528","11.0336","0.0006","14.8166","0.0008","15.2675","0.0008","90","","96.44","0.001","90","","2480.2","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","Chloro[(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-oxazole]gold(I)","","- C52 H54 Au2 Cl2 N2 O2 P2 -","- C52 H56 Au2 Cl2 N2 O2 P2 -","- C104 H112 Au4 Cl4 N4 O4 P4 -","2","1","","Tabey, Alexis; Berlande, Murielle; Hermange, Philippe; Fouquet, Eric","Mechanistic and asymmetric investigations of the Au-catalysed cross-coupling between aryldiazonium salts and arylboronic acids using (P,N) gold complexes.","Chemical communications (Cambridge, England)","2018","54","91","12867","12870","10.1039/c8cc07530a","","","0.71073","MoKα","","0.0232","0.0188","","","0.0379","0.0391","","","","","","1.003","","","","has coordinates","228469","2020-10-21","18:00:00",""
"7122529","7.92466","0.00018","11.5149","0.0003","19.0209","0.0006","90","","90","","90","","1735.69","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Yuan, Tingting; Pi, Chao; You, Chang; Cui, Xiuling; Du, Sidong; Wan, Ting; Wu, Yangjie","Rapid Assembly of Cyclopentene Spiroisoindolinones via Rhodium-Catalysed Redox-Neutral Cascade Reaction","Chemical Communications","2018","","","","","10.1039/C8CC08081J","","x-ray","1.54184","CuKα","","0.0826","0.071","","","0.1928","0.2066","","","","","","1.035","","","","has coordinates,has disorder","211707","2020-10-21","18:00:00",""
"7122530","16.1521","0.0009","17.3762","0.0009","20.485","0.0011","90","","90","","90","","5749.4","0.5","299","2","299","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cl F6 Fe2 N3 P S2 -","- C20 H36 Cl F6 Fe2 N3 P S2 -","- C160 H288 Cl8 F48 Fe16 N24 P8 S16 -","8","1","","Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Methylene insertion into an Fe<sub>2</sub>S<sub>2</sub> cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH<sub>2</sub>-S moiety.","Chemical communications (Cambridge, England)","2018","54","93","13119","13122","10.1039/c8cc07418f","","","0.71073","MoKα","","0.0799","0.0618","","","0.1773","0.1887","","","","","","1.026","","","","has coordinates","228129","2020-10-21","18:00:00",""
"7122531","14.7655","0.0004","11.1673","0.0003","14.2254","0.0004","90","","95.3012","0.0011","90","","2335.6","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 Cl2 Fe2 N2 S2 -","- C19 H35 Cl2 Fe2 N2 S2 -","- C76 H140 Cl8 Fe8 N8 S8 -","4","1","","Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Methylene insertion into an Fe<sub>2</sub>S<sub>2</sub> cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH<sub>2</sub>-S moiety.","Chemical communications (Cambridge, England)","2018","54","93","13119","13122","10.1039/c8cc07418f","","","0.71073","MoKα","","0.0537","0.0521","","","0.1318","0.1328","","","","","","1.016","","","","has coordinates","228129","2020-10-21","18:00:00",""
"7122532","11.7179","0.0006","15.2415","0.0008","33.0452","0.0017","90","","90","","90","","5901.8","0.5","295","2","295","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H38 Cl F6 Fe2 N3 P S2 -","- C21 H38 Cl F6 Fe2 N3 P S2 -","- C168 H304 Cl8 F48 Fe16 N24 P8 S16 -","8","1","","Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping","Methylene insertion into an Fe<sub>2</sub>S<sub>2</sub> cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH<sub>2</sub>-S moiety.","Chemical communications (Cambridge, England)","2018","54","93","13119","13122","10.1039/c8cc07418f","","","0.71073","MoKα","","0.1161","0.0797","","","0.1799","0.195","","","","","","1.012","","","","has coordinates","228129","2020-10-21","18:00:00",""
"7122533","9.1317","0.0011","11.0607","0.0013","11.7651","0.0014","72.527","0.002","70.675","0.002","69.17","0.002","1025.4","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H16 Cu3 F24 N8 -","- C36 H16 Cu3 F24 N8 -","- C36 H16 Cu3 F24 N8 -","1","0.5","","Titov, Aleksei; Larionov, Vladimir A.; Smol’yakov, Alexander F.; Godovikova, Maria I.; Titova, Ekaterina M.; Maleev, Victor I.; Shubina, Elena","Interaction of the trinuclear copper(I) pyrazolate with alkynes and carbon-carbon triple bond activation","Chemical Communications","2018","","","","","10.1039/C8CC08592G","","","0.71073","MoKα","","0.0562","0.0378","","","0.0923","0.1017","","","","","","1.032","","","","has coordinates","211725","2020-10-21","18:00:00",""
"7122534","8.55","0.009","10.66","0.012","13.468","0.014","107.62","0.03","100.88","0.02","95.18","0.02","1135","2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu3 F24 N8 -","- C36 H32 Cu3 F24 N8 -","- C36 H32 Cu3 F24 N8 -","1","0.5","","Titov, Aleksei; Larionov, Vladimir A.; Smol’yakov, Alexander F.; Godovikova, Maria I.; Titova, Ekaterina M.; Maleev, Victor I.; Shubina, Elena","Interaction of the trinuclear copper(I) pyrazolate with alkynes and carbon-carbon triple bond activation","Chemical Communications","2018","","","","","10.1039/C8CC08592G","","","0.71073","MoKα","","0.0321","0.0263","","","0.0688","0.0717","","","","","","1.045","","","","has coordinates","211725","2020-10-21","18:00:00",""
"7122535","10.53644","0.00031","18.23475","0.00057","6.97824","0.00015","90","","111.604","0.0022","90","","1246.54","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Lukin, Stipe; Tireli, Martina; Lončarić, Ivor; Barišić, Dajana; Šket, PrimoŽ; Vrsaljko, Domagoj; di Michiel, Marco; Plavec, Janez; UŽarević, Krunoslav; Halasz, Ivan","Mechanochemical carbon-carbon bond formation that proceeds via a cocrystal intermediate.","Chemical communications (Cambridge, England)","2018","54","94","13216","13219","10.1039/c8cc07853j","powder diffraction","","1.5418","CuKα","","","","","","","","0.01","","1.91","","","","","","","has coordinates","228369","2020-10-21","18:00:00",""
"7122536","14.148","0.004","14.7902","0.0014","12.1137","0.0016","90","","115.972","0.015","90","","2278.8","0.8","126.3","0.6","126.3","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Knoevengel prod hemihydrate","","","- C12 H11 N2 O5.5 -","- C12 H10.83 N2 O5.5 -","- C96 H86.64 N16 O44 -","8","2","","Lukin, Stipe; Tireli, Martina; Lončarić, Ivor; Barišić, Dajana; Šket, PrimoŽ; Vrsaljko, Domagoj; di Michiel, Marco; Plavec, Janez; UŽarević, Krunoslav; Halasz, Ivan","Mechanochemical carbon-carbon bond formation that proceeds via a cocrystal intermediate.","Chemical communications (Cambridge, England)","2018","54","94","13216","13219","10.1039/c8cc07853j","","","1.54184","CuKα","","0.1466","0.0784","","","0.1808","0.2288","","","","","","0.989","","","","has coordinates","228369","2020-10-21","18:00:00",""
"7122537","10.901","0.002","6.2481","0.0011","13.318","0.002","90","","98.052","0.004","90","","898.2","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N O2 -","- C20 H20 Br N O2 -","- C40 H40 Br2 N2 O4 -","2","1","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.0562","0.0436","","","0.0895","0.0945","","","","","","0.976","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122538","10.4038","0.0004","20.5233","0.0006","37.6117","0.0011","90","","90","","90","","8030.9","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl N2 O4 -","- C20 H21 Cl N2 O4 -","- C320 H336 Cl16 N32 O64 -","16","4","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.0995","0.0494","","","0.1215","0.1509","","","","","","1.009","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122539","10.2614","0.001","21.747","0.002","40.341","0.004","90","","90","","90","","9002.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23.4 Br N O2 -","- C17 H23.4 Br N O2 -","- C340 H468 Br20 N20 O40 -","20","5","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.1936","0.0558","","","0.117","0.1641","","","","","","0.939","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122540","13.294","0.002","13.787","0.003","15.741","0.003","105.839","0.002","92.357","0.002","112.705","0.002","2525.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H160 K2 N4 O10 Yb3 -","- C112 H160 K2 N4 O10 Yb3 -","- C112 H160 K2 N4 O10 Yb3 -","1","0.5","","Fedushkin, Igor L.; Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Cherkasov, Anton V.","Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Chemical communications (Cambridge, England)","2018","54","92","12950","12953","10.1039/c8cc08108e","","","0.71073","MoKα","","0.0817","0.0498","","","0.106","0.1201","","","","","","1.04","","","","has coordinates,has disorder","228463","2020-10-21","18:00:00",""
"7122541","13.0748","0.0009","13.2572","0.0009","15.9107","0.001","79.799","0.001","85.246","0.001","69.146","0.001","2535.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H160 Ca2 N4 Na4 O10 -","- C112 H160 Ca2 N4 Na4 O10 -","- C112 H160 Ca2 N4 Na4 O10 -","1","0.5","","Fedushkin, Igor L.; Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Cherkasov, Anton V.","Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Chemical communications (Cambridge, England)","2018","54","92","12950","12953","10.1039/c8cc08108e","","","0.71073","MoKα","","0.0727","0.0535","","","0.1326","0.1444","","","","","","1.018","","","","has coordinates,has disorder","228463","2020-10-21","18:00:00",""
"7122542","13.694","0.003","16.73","0.004","14.7","0.003","90","","91.656","0.006","90","","3366.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H96 N4 Na2 O2 Tm2 -","- C80 H96 N4 Na2 O2 Tm2 -","- C160 H192 N8 Na4 O4 Tm4 -","2","0.5","","Fedushkin, Igor L.; Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Cherkasov, Anton V.","Ca(ii), Yb(ii) and Tm(iii) complexes with tri- and tetra-anions of 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Chemical communications (Cambridge, England)","2018","54","92","12950","12953","10.1039/c8cc08108e","","","0.71073","MoKα","","0.0736","0.0468","","","0.1043","0.1202","","","","","","1.047","","","","has coordinates","228463","2020-10-21","18:00:00",""
"7122543","7.7021","0.0001","25.8034","0.0004","11.7215","0.0002","90","","91.931","0.001","90","","2328.21","0.06","170","2","170.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N17 O15 -","- C9 H13 N17 O15 -","- C36 H52 N68 O60 -","4","1","","Zhang, Xiaopeng; Chen, Shusen; Wu, Yige; Jin, Shaohua; Wang, Xiaojun; Wang, Yuqiao; Shang, Fengqin; Chen, Kun; Du, Junyi; Shu, Qinghai","A novel cocrystal composed of CL-20 and an energetic ionic salt.","Chemical communications (Cambridge, England)","2018","54","94","13268","13270","10.1039/c8cc06540c","","","1.34139","GaKα","","0.0419","0.0402","","","0.1004","0.1017","","","","","","1.049","","","","has coordinates","228368","2020-10-21","18:00:00",""
"7122544","20.0625","0.0003","16.1756","0.0003","13.5227","0.0002","90","","90","","90","","4388.43","0.12","180","0.1","180","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H34 Cr F18 N10 P3 -","- C36 H34 Cr F18 N10 P3 -","- C144 H136 Cr4 F72 N40 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.","Chemical communications (Cambridge, England)","2018","54","94","13228","13231","10.1039/c8cc07671e","","x-ray","1.54184","CuKα","","0.0499","0.0484","","","0.1191","0.1204","","","","","","1.018","","","","has coordinates","228371","2020-10-21","18:00:00",""
"7122545","9.35425","0.00014","15.1963","0.0002","13.72684","0.00018","90","","95.8596","0.0013","90","","1941.07","0.05","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br3 Cr N5 -","- C17 H17 Br3 Cr N5 -","- C68 H68 Br12 Cr4 N20 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.","Chemical communications (Cambridge, England)","2018","54","94","13228","13231","10.1039/c8cc07671e","","x-ray","1.54184","CuKα","","0.0399","0.0367","","","0.1182","0.1247","","","","","","1.038","","","","has coordinates","228371","2020-10-21","18:00:00",""
"7122546","11.9089","0.0006","12.6435","0.0008","19.9341","0.001","74.089","0.005","75.79","0.005","69.487","0.006","2666","0.3","180.01","0.1","180.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H41 Cr F15 N11 O5 P2 S -","- C42 H41 Cr F15 N11 O5 P2 S -","- C84 H82 Cr2 F30 N22 O10 P4 S2 -","2","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Besnard, Céline; Piguet, Claude","Versatile heteroleptic bis-terdentate Cr(iii) chromophores displaying room temperature millisecond excited state lifetimes.","Chemical communications (Cambridge, England)","2018","54","94","13228","13231","10.1039/c8cc07671e","","x-ray","1.54184","CuKα","","0.0686","0.0556","","","0.1555","0.1695","","","","","","1.041","","","","has coordinates,has disorder","228371","2020-10-21","18:00:00",""
"7122547","13.1677","0.0005","12.8495","0.0006","13.3831","0.0007","90","","98.427","0.004","90","","2239.95","0.18","109.9","0.4","109.9","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 Cl6 N2 Pt2 -","- C36 H78 Cl6 N2 Pt2 -","- C72 H156 Cl12 N4 Pt4 -","2","0.5","","Silalahi, Imelda H.; Sethi, Navpreet K.; Shafikov, Marsel Z.; Chechik, Victor; Whitwood, Adrian C.; Bruce, Duncan W.","Unexpected, photochemically induced activation of the tetrabutylammonium cation by hexachloroplatinate(iv).","Chemical communications (Cambridge, England)","2018","54","97","13682","13685","10.1039/c8cc06423g","","x-ray","0.71073","MoKα","","0.0481","0.036","","","0.0719","0.0791","","","","","","1.068","","","","has coordinates","228022","2020-10-21","18:00:00",""
"7122548","16.9961","0.0004","16.9961","0.0004","19.8792","0.0005","90","","90","","120","","4973.1","0.2","173","2","173.15","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C64 H60 Cl Dy N8 O22 Zn3 -","- C64 H60 Cl Dy N8 O22 Zn3 -","- C192 H180 Cl3 Dy3 N24 O66 Zn9 -","3","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ren-Gen; Hao, Xiang; Zhu, Dao-Ben","A homochiral Zn-Dy heterometallic left-handed helical chain complex without chiral ligands: anion-induced assembly and multifunctional integration.","Chemical communications (Cambridge, England)","2018","54","95","13379","13382","10.1039/c8cc07468b","","","0.71073","MoKα","","0.0463","0.0445","","","0.1115","0.1127","","","","","","1.093","","","","has coordinates","228530","2020-10-21","18:00:00",""
"7122549","16.007","0.003","21.007","0.004","55.589","0.011","90","","90","","90","","18692","6","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C86 H64 Dy2 N12 O24 Zn3 -","- C86 H64 Dy2 N12 O24 Zn3 -","- C688 H512 Dy16 N96 O192 Zn24 -","8","1","","Liu, Cai-Ming; Zhang, De-Qing; Xiong, Ren-Gen; Hao, Xiang; Zhu, Dao-Ben","A homochiral Zn-Dy heterometallic left-handed helical chain complex without chiral ligands: anion-induced assembly and multifunctional integration.","Chemical communications (Cambridge, England)","2018","54","95","13379","13382","10.1039/c8cc07468b","","","0.71073","MoKα","","0.0866","0.0784","","","0.216","0.2268","","","","","","1.179","","","","has coordinates,has disorder","228530","2020-10-21","18:00:00",""
"7122550","11.1571","0.0002","12.454","0.0002","11.9","0.0002","90","","90.045","0.001","90","","1653.51","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C88 H64 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Khamraev, Vladislav F.; Rubin, Michael","Nitrostyrenes as 1,4-CCNO-dipoles: diastereoselective formal [4+1] cycloaddition of indoles.","Chemical communications (Cambridge, England)","2018","54","94","13260","13263","10.1039/c8cc07451h","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.1197","0.1221","","","","","","1.049","","","","has coordinates","228372","2020-10-21","18:00:00",""
"7122551","21.3685","0.0003","26.9448","0.0004","41.0041","0.0008","90","","90","","90","","23608.9","0.7","100","0.1","100","0.1","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C132 H136 F4 N26 O24 Pd2 S2 -","- C132 H136 F4 N26 O24 Pd2 S2 -","- C528 H544 F16 N104 O96 Pd8 S8 -","4","0.5","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","x-ray","1.54184","CuKα","","0.1072","0.0794","","","0.2359","0.2561","","","","","","0.926","","","","has coordinates","228531","2020-10-21","18:00:00",""
"7122552","17.0266","0.0002","17.8919","0.0005","18.1716","0.0006","74.712","0.01","66.581","0.008","78.682","0.009","4873.8","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C136 H140 B4 F20 N30 O14 Pd2 -","- C136 H136 B4 F20 N28 O16 Pd2 -","- C136 H136 B4 F20 N28 O16 Pd2 -","1","0.5","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","","1.54178","CuKα","","0.1003","0.0879","","","0.2279","0.2416","","","","","","1.005","","","","has coordinates","228531","2020-10-21","18:00:00",""
"7122553","18.9268","0.0006","18.9268","0.0006","24.7717","0.0009","90","","90","","90","","8873.8","0.5","100.01","0.13","100.01","0.13","","","","","","","","6","I 4/m","-I 4","87","","","","- C128 H124 F4 N24 O16 Pd2 -","- C128 H124 F4 N24 O16 Pd2 -","- C256 H248 F8 N48 O32 Pd4 -","2","0.125","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","x-ray","1.54184","CuKα","","0.096","0.0692","","","0.182","0.1954","","","","","","0.937","","","","has coordinates","228531","2020-10-21","18:00:00",""
"7122554","19.8811","0.0009","22.8682","0.0011","44.582","0.002","90","","94.821","0.003","90","","20197.3","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C128 H124 B14 F24 N24 O16 Pd2 -","- C128 H124 B14 F24 N24 O16 Pd2 -","- C512 H496 B56 F96 N96 O64 Pd8 -","4","1","","Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan","Helicity adaptation within a quadruply stranded helicate by encapsulation.","Chemical communications (Cambridge, England)","2018","54","95","13447","13450","10.1039/c8cc07932c","","","1.54178","CuKα","","0.1294","0.103","","","0.2969","0.3188","","","","","","1.147","","","","has coordinates","228531","2020-10-21","18:00:00",""
"7122555","8.3135","0.0001","7.8576","0.0001","24.136","0.0003","90","","99.49","0.001","90","","1555.09","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Kumari, Pratibha; Verma, Sanjay Kumar; Mobin, Shaikh M.","A facile two-photon fluorescent probe: Endoplasmic Reticulum tracker, monitoring ER stress and vesicular transport to lysosomes","Chemical Communications","2018","","","","","10.1039/C8CC07429A","","","1.54184","CuKα","","0.047","0.0456","","","0.1392","0.1411","","","","","","1.125","","","","has coordinates,has disorder","211832","2020-10-21","18:00:00",""
"7122556","16.963","0.002","17.366","0.002","26.321","0.003","108.871","0.001","105.372","0.001","92.009","0.001","7012.1","1.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C170 H176 Li4 N12 O8 -","- C170 H176 Li4 N12 O8 -","- C340 H352 Li8 N24 O16 -","2","1","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Synthesis and reactivity of aza-dipyrrin alkali metal salts.","Chemical communications (Cambridge, England)","2018","54","93","13139","13142","10.1039/c8cc07101b","","","0.71073","MoKα","","0.1945","0.0779","","","0.1794","0.2266","","","","","","1.023","","","","has coordinates,has disorder","228134","2020-10-21","18:00:00",""
"7122557","23.287","0.004","11.257","0.002","16.403","0.003","90","","108.675","0.002","90","","4073.5","1.3","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H36 N6 Zn -","- C56 H36 N6 Zn -","- C224 H144 N24 Zn4 -","4","0.5","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Synthesis and reactivity of aza-dipyrrin alkali metal salts.","Chemical communications (Cambridge, England)","2018","54","93","13139","13142","10.1039/c8cc07101b","","","0.71073","MoKα","","0.1263","0.0558","","","0.0958","0.1172","","","","","","1","","","","has coordinates","228134","2020-10-21","18:00:00",""
"7122558","8.3304","0.0013","13.73","0.002","26.735","0.004","103.459","0.002","92.281","0.002","97.662","0.002","2939.4","0.8","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl N3 O Zn -","- C36 H30 Cl N3 O Zn -","- C144 H120 Cl4 N12 O4 Zn4 -","4","2","","Diaz-Rodriguez, Roberto M; Robertson, Katherine N.; Thompson, Alison","Synthesis and reactivity of aza-dipyrrin alkali metal salts.","Chemical communications (Cambridge, England)","2018","54","93","13139","13142","10.1039/c8cc07101b","","","0.71073","MoKα","","0.1428","0.0589","","","0.095","0.1182","","","","","","0.97","","","","has coordinates","228134","2020-10-21","18:00:00",""
"7122559","13.1435","0.0005","13.7367","0.0006","14.6446","0.0007","66.914","0.004","88.232","0.003","68.744","0.004","2247.7","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H136 Fe2 K N6 O10 -","- C86 H136 Fe2 K N6 O10 -","- C86 H136 Fe2 K N6 O10 -","1","0.5","","McWilliams, Sean F.; Bunting, Philip C.; Kathiresan, Venkatesan; Mercado, Brandon Q.; Hoffman, Brian M.; Long, Jeffrey R.; Holland, Patrick L.","Isolation and characterization of a high-spin mixed-valent iron dinitrogen complex.","Chemical communications (Cambridge, England)","2018","54","95","13339","13342","10.1039/c8cc07294a","","","1.54184","CuKα","","0.0685","0.0601","","","0.1587","0.1663","","","","","","1.07","","","","has coordinates","228529","2020-10-21","18:00:00",""
"7122560","14.3872","0.0003","14.3872","0.0003","24.9442","0.0004","90","","90","","120","","4471.5","0.15","120","0.1","120","0.1","","","","","","","","7","P 63/m","-P 6c","176","","","","- C60 H54 B4 F16 Fe2 N24 O6 -","- C60 H54 B3.9996 F15.999 Fe2 N24 O6 -","- C120 H108 B7.9992 F31.998 Fe4 N48 O12 -","2","0.166667","","Wilson, Benjamin H.; Scott, Hayley S.; Qazvini, Omid T.; Telfer, Shane G.; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","A supramolecular porous material comprising Fe(ii) mesocates.","Chemical communications (Cambridge, England)","2018","54","95","13391","13394","10.1039/c8cc07227b","","x-ray","1.54184","CuKα","","0.0919","0.0912","","","0.2683","0.269","","","","","","1.1","","","","has coordinates,has disorder","228532","2020-10-21","18:00:00",""
"7122561","8.2292","0.0012","12.3415","0.0018","17.181","0.003","90","","90","","90","","1744.9","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Lu, Yi-Nan; Lan, Jin-Ping; Mao, Yu-Jia; Wang, Ye-Xin; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric de novo construction of dihydroquinazolinone scaffolds via enantioselective decarboxylative [4+2] cycloadditions.","Chemical communications (Cambridge, England)","2018","54","96","13527","13530","10.1039/c8cc08282k","","","0.71073","MoKα","","0.0472","0.0403","","","0.0981","0.1025","","","","","","1.027","","","","has coordinates","228582","2020-10-21","18:00:00",""
"7122562","14.1544","0.0012","4.5958","0.0004","26.774","0.002","90","","96.099","0.001","90","","1731.8","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N P -","- C21 H22 N P -","- C84 H88 N4 P4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","","0.71073","MoKα","","0.0496","0.0395","","","0.0977","0.1036","","","","","","1.031","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122563","12.6048","0.0005","13.305","0.0005","21.6579","0.001","89.18","0.003","75.294","0.004","88.901","0.003","3512.4","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H71 I Mo N3 O3 P3 U -","- C73 H71 I Mo N3 O3 P3 U -","- C146 H142 I2 Mo2 N6 O6 P6 U2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.1663","0.1542","","","0.3786","0.3836","","","","","","1.189","","","","has coordinates,has disorder","228580","2020-10-21","18:00:00",""
"7122564","12.2335","0.0002","13.3432","0.0002","21.8523","0.0004","89.2225","0.0014","74.9637","0.0018","89.8281","0.0015","3444.59","0.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H79 Cl Mo N3 O3 P3 U -","- C80 H79 Cl Mo N3 O3 P3 U -","- C160 H158 Cl2 Mo2 N6 O6 P6 U2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.0407","0.0363","","","0.0877","0.0901","","","","","","1.02","","","","has coordinates,has disorder","228580","2020-10-21","18:00:00",""
"7122565","12.7259","0.0005","13.3141","0.0006","21.7153","0.001","88.662","0.004","75.262","0.004","88.66","0.003","3556.7","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H71 I Mo N3 O3 P3 Th -","- C73 H71 I Mo N3 O3 P3 Th -","- C146 H142 I2 Mo2 N6 O6 P6 Th2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.1497","0.1262","","","0.3284","0.3409","","","","","","1.124","","","","has coordinates,has disorder","228580","2020-10-21","18:00:00",""
"7122566","15.9544","0.0003","22.7597","0.0004","18.2868","0.0003","90","","96.5882","0.0019","90","","6596.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H79 Cl N3 P3 U -","- C77 H79 Cl N3 P3 U -","- C308 H316 Cl4 N12 P12 U4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","","1.54184","CuKα","","0.0434","0.0379","","","0.0995","0.1035","","","","","","1.065","","","","has coordinates","288262","2023-12-12","20:54:55",""
"7122567","19.3727","0.0019","9.1104","0.0009","16.222","0.0016","90","","105.113","0.002","90","","2764","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Li N O2 P -","- C29 H41 Li N O2 P -","- C116 H164 Li4 N4 O8 P4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","","0.71073","MoKα","","0.0439","0.0396","","","0.102","0.1058","","","","","","1.072","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122568","12.496","0.003","39.078","0.009","13.949","0.003","90","","91.079","0.005","90","","6810","3","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H79 I N3 P3 U -","- C77 H79 I N3 P3 U -","- C308 H316 I4 N12 P12 U4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","","0.71073","MoKα","","0.2084","0.1384","","","0.2624","0.2898","","","","","","1.178","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122569","13.639","0.0017","14.6571","0.0018","16.721","0.002","76.466","0.01","88.965","0.01","67.082","0.012","2983.3","0.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H63 Cl N3 O4 P3 U W -","- C67 H63 Cl N3 O4 P3 U W -","- C134 H126 Cl2 N6 O8 P6 U2 W2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","0.71073","MoKα","","0.1355","0.0725","","","0.1055","0.1237","","","","","","1.048","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122570","13.04797","0.00008","25.46193","0.00015","16.86018","0.00011","90","","97.423","0.0006","90","","5554.46","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H63 Cl N3 P3 Th -","- C63 H63 Cl N3 P3 Th -","- C252 H252 Cl4 N12 P12 Th4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.0258","0.024","","","0.0614","0.0626","","","","","","1.044","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122571","12.326","0.0006","13.3087","0.0004","21.9496","0.001","88.897","0.003","74.385","0.004","89.611","0.003","3467.1","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H79 Cl Mo N3 O3 P3 Th -","- C80 H79 Cl Mo N3 O3 P3 Th -","- C160 H158 Cl2 Mo2 N6 O6 P6 Th2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.1147","0.0806","","","0.1664","0.1849","","","","","","1.073","","","","has coordinates,has disorder","228580","2020-10-21","18:00:00",""
"7122572","13.05887","0.00012","25.3036","0.0003","17.01612","0.00016","90","","96.6633","0.0009","90","","5584.77","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H63 I N3 P3 Th -","- C63 H63 I N3 P3 Th -","- C252 H252 I4 N12 P12 Th4 -","4","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","1.54184","CuKα","","0.0248","0.0226","","","0.0528","0.054","","","","","","1.046","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122573","13.7659","0.0006","14.4077","0.0005","16.5607","0.0007","76.698","0.003","89.117","0.003","67.671","0.004","2947.3","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H63 Cl Cr N3 O4 P3 U -","- C67 H63 Cl Cr N3 O4 P3 U -","- C134 H126 Cl2 Cr2 N6 O8 P6 U2 -","2","1","","Ayres, Alexander J.; Zegke, Markus; Ostrowski, Joseph P. A.; Tuna, Floriana; McInnes, Eric J. L.; Wooles, Ashley J.; Liddle, Stephen T.","Actinide-transition metal bonding in heterobimetallic uranium- and thorium-molybdenum paddlewheel complexes.","Chemical communications (Cambridge, England)","2018","54","96","13515","13518","10.1039/c8cc05268a","","x-ray","0.71073","MoKα","","0.0605","0.0506","","","0.1099","0.1167","","","","","","1.115","","","","has coordinates","228580","2020-10-21","18:00:00",""
"7122574","12.8682","0.0001","24.121","0.0002","17.041","0.0002","90","","97.415","0.001","90","","5245.19","0.09","149.97","0.11","149.97","0.11","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.2 H44.8 F4.8 N4.8 O4.8 S1.6 Si0.8 -","- C39.2 H44.8 F4.8 N4.8 O4.8 S1.6 Si0.8 -","- C196 H224 F24 N24 O24 S8 Si4 -","5","1.25","","Hermannsdorfer, André; Stephan, Douglas W.; Driess, Matthias","Taming a silyldiium cation and its reactivity towards sodium phosphaethynolate.","Chemical communications (Cambridge, England)","2018","54","96","13523","13526","10.1039/c8cc07632d","","","1.54184","CuKα","","0.0444","0.0375","","","0.0946","0.1009","","","","","","1.034","","","","has coordinates,has disorder","228579","2020-10-21","18:00:00",""
"7122575","21.3898","0.0004","14.7759","0.0002","32.3467","0.0007","90","","108.989","0.002","90","","9666.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C33.09 H43.64 Cl0.73 F2.18 N2.91 O2.18 P1.45 S0.73 -","- C33.0909 H43.6364 Cl0.727273 F2.18182 N2.90909 O2.18182 P1.45455 S0.727273 -","- C364 H480 Cl8 F24 N32 O24 P16 S8 -","11","1.375","","Hermannsdorfer, André; Stephan, Douglas W.; Driess, Matthias","Taming a silyldiium cation and its reactivity towards sodium phosphaethynolate.","Chemical communications (Cambridge, England)","2018","54","96","13523","13526","10.1039/c8cc07632d","","","1.54184","CuKα","","0.0725","0.0567","","","0.151","0.1674","","","","","","1.061","","","","has coordinates,has disorder","228579","2020-10-21","18:00:00",""
"7122576","9.2894","0.0006","11.9054","0.001","18.4338","0.0015","95.68","0.007","101.636","0.006","92.537","0.006","1982.6","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 F3 N4 O3 P2 S -","- C38 H45 F3 N4 O3 P2 S -","- C76 H90 F6 N8 O6 P4 S2 -","2","1","","Hermannsdorfer, André; Stephan, Douglas W.; Driess, Matthias","Taming a silyldiium cation and its reactivity towards sodium phosphaethynolate.","Chemical communications (Cambridge, England)","2018","54","96","13523","13526","10.1039/c8cc07632d","","","1.54184","CuKα","","0.1454","0.08","","","0.1842","0.2505","","","","","","0.982","","","","has coordinates","228579","2020-10-21","18:00:00",""
"7122577","20.7909","0.0002","9.6113","0.0001","23.6415","0.0002","90","","105.534","0.001","90","","4551.66","0.08","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H53 F3 N5 O3 P S Si -","- C46 H53 F3 N5 O3 P S Si -","- C184 H212 F12 N20 O12 P4 S4 Si4 -","4","1","","Hermannsdorfer, André; Stephan, Douglas W.; Driess, Matthias","Taming a silyldiium cation and its reactivity towards sodium phosphaethynolate.","Chemical communications (Cambridge, England)","2018","54","96","13523","13526","10.1039/c8cc07632d","","","1.54184","CuKα","","0.0607","0.055","","","0.1425","0.1486","","","","","","1.042","","","","has coordinates,has disorder","228579","2020-10-21","18:00:00",""
"7122578","8.157","0.0005","9.8595","0.0007","10.2239","0.0008","63.734","0.003","75.835","0.002","85.625","0.002","714.44","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O5 S -","- C16 H16 O5 S -","- C32 H32 O10 S2 -","2","1","","Porcu, Stefania; Luridiana, Alberto; Martis, Alberto; Frongia, Angelo; Sarais, Giorgia; Aitken, David J.; Boddaert, Thomas; Guillot, Regis; Secci, Francesco","Acid-catalyzed synthesis of functionalized arylthio cyclopropane carbaldehydes and ketones.","Chemical communications (Cambridge, England)","2018","54","96","13547","13550","10.1039/c8cc07571a","","x-ray","0.71073","MoKα","","0.0737","0.0481","","","0.1027","0.1123","","","","","","1.046","","","","has coordinates,has disorder","228575","2020-10-21","18:00:00",""
"7122579","6.9872","0.0005","15.5151","0.001","19.425","0.0013","90","","98.467","0.002","90","","2082.9","0.2","136","2","136","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C H N O -","- C2.19048 H3.19048 N0.190476 O0.190476 -","- C92 H134 N8 O8 -","42","21","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0671","0.0484","","","0.1098","0.1195","","","","","","1.027","","","","has coordinates","230144","2020-10-21","18:00:00",""
"7122580","10.3659","0.0009","7.0531","0.0006","16.9815","0.0015","90","","92.543","0.002","90","","1240.32","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H37 N3 O5 -","- C25 H37 N3 O5 -","- C50 H74 N6 O10 -","2","1","","Zhao, Fengyi; Lu, Wen; Su, Fan; Xu, Li; Jiang, Dong; Sun, Xu; Shi, Jiuzhou; Zhou, Mengyi; Lin, Feng; Cao, Fuliang","Synthesis and potential antineoplastic activity of dehydroabietylamine imidazole derivatives.","MedChemComm","2018","9","12","2091","2099","10.1039/c8md00487k","","","0.71073","MoKα","","0.0542","0.0443","","","0.1109","0.1165","","","","","","1.048","","","","has coordinates","230144","2020-10-21","18:00:00",""
"7122581","8.21","0.005","25.782","0.005","9.467","0.005","90","0.005","90","0.005","90","0.005","2003.9","1.7","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C16 H56 Cl12 N8 O4 Pb2 -","- C16 H56 Cl12 N8 O4 Pb2 -","- C32 H112 Cl24 N16 O8 Pb4 -","2","0.25","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","x-ray","0.71073","MoKα","","0.0314","0.0255","","","0.0515","0.0532","","","","","","1.131","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122582","16.6999","0.001","4.4334","0.0002","17.237","0.0009","90","","101.316","0.002","90","","1251.37","0.11","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C10 H8 I2 N2 O2 -","- C10 H8 I2 N2 O2 -","- C40 H32 I8 N8 O8 -","4","1","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0391","","","0.0875","0.09","","","","","","1.036","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122583","11.506","0.01","4.84","0.008","16.85","0.02","90","","103.13","0.07","90","","914","2","300","2","300","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","2","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","","1.54178","CuKα","","0.0696","0.0556","","","0.1365","0.1477","","","","","","1.089","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122584","10.598","0.005","11.469","0.005","12.275","0.005","90","","90","","90","","1492","1.1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","","1.54178","CuKα","","0.0897","0.0715","","","0.1817","0.1978","","","","","","1.237","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122585","13.0765","0.0006","13.7569","0.0006","8.1842","0.0004","90","","101.42","0.001","90","","1443.13","0.12","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 -","- C36 H36 N6 -","- C72 H72 N12 -","2","0.5","","Longevial, Jean-François; Yamaji, Ayaka; Aggad, Dina; Kim, Gakhyun; Chia, Wen Xi; Nishimura, Tsubasa; Miyake, Yoshihiro; Clément, Sébastien; Oh, Juwon; Daurat, Morgane; Nguyen, Christophe; Kim, Dongho; Gary-Bobo, Magali; Richeter, Sébastien; Shinokubo, Hiroshi","Diazachlorin and diazabacteriochlorin for one- and two-photon photodynamic therapy.","Chemical communications (Cambridge, England)","2018","54","98","13829","13832","10.1039/c8cc07489e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1014","0.1045","","","","","","1.061","","","","has coordinates","228253","2020-10-21","18:00:00",""
"7122586","7.4591","0.0017","12.033","0.003","12.1333","0.0018","102.784","0.017","94.976","0.016","99.04","0.02","1040.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Wang, Shuai; An, Xiao-De; Li, Shuai-Shuai; Liu, Xicheng; Liu, Qing; Xiao, Jian","Hydride transfer initiated ring expansion of pyrrolidines toward highly functionalized tetrahydro-1-benzazepines.","Chemical communications (Cambridge, England)","2018","54","98","13833","13836","10.1039/c8cc08238c","","","1.54184","CuKα","","0.2325","0.0775","","","0.1627","0.2573","","","","","","0.917","","","","has coordinates","228255","2020-10-21","18:00:00",""
"7122587","9.7687","0.0012","12.8969","0.0017","15.702","0.002","90","","100.297","0.004","90","","1946.4","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B10 Cl N O -","- C15 H20 B10 Cl N O -","- C60 H80 B40 Cl4 N4 O4 -","4","1","","Xu, Tao-Tao; Cao, Ke; Zhang, Cai-Yan; Wu, Ji; Jiang, Linhai; Yang, Junxiao","Palladium catalyzed selective arylation of o-carboranes via B(4)-H activation: amide induced regioselectivity reversal.","Chemical communications (Cambridge, England)","2018","54","96","13603","13606","10.1039/c8cc08193j","","","0.71073","MoKα","","0.0837","0.0542","","","0.1435","0.1575","","","","","","1.061","","","","has coordinates","228577","2020-10-21","18:00:00",""
"7122588","10.9107","0.0004","17.0092","0.0006","18.4957","0.0006","90","","97.954","0.001","90","","3399.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H31 B Cl F10 P Si -","- C35 H31 B Cl F10 P Si -","- C140 H124 B4 Cl4 F40 P4 Si4 -","4","1","","Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Chemical communications (Cambridge, England)","2018","54","97","13746","13749","10.1039/c8cc07189f","","","0.71073","MoKα","","0.0524","0.0355","","","0.0766","0.0832","","","","","","1.026","","","","has coordinates","228021","2020-10-21","18:00:00",""
"7122589","9.6668","0.0002","20.0637","0.0004","19.4399","0.0003","90","","95.326","0.002","90","","3754.13","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B Br F10 P Si -","- C35 H31 B Br F10 P Si -","- C140 H124 B4 Br4 F40 P4 Si4 -","4","1","","Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Chemical communications (Cambridge, England)","2018","54","97","13746","13749","10.1039/c8cc07189f","","","0.71073","MoKα","","0.0716","0.0513","","","0.1043","0.1125","","","","","","1.03","","","","has coordinates","228021","2020-10-21","18:00:00",""
"7122590","9.2115","0.0002","22.0031","0.0005","14.1968","0.0004","90","","97.69","0.001","90","","2851.55","0.12","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B Cl F10 P -","- C28 H23 B Cl F10 P -","- C112 H92 B4 Cl4 F40 P4 -","4","1","","Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Chemical communications (Cambridge, England)","2018","54","97","13746","13749","10.1039/c8cc07189f","","","0.71073","MoKα","","0.1201","0.0788","","","0.1369","0.1603","","","","","","1.122","","","","has coordinates,has disorder","228021","2020-10-21","18:00:00",""
"7122591","9.5895","0.0003","10.8563","0.0003","18.736","0.0005","82.363","0.001","76.153","0.001","76.873","0.001","1837.99","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H35 B Br F10 P -","- C39.5 H35 B Br F10 P -","- C79 H70 B2 Br2 F20 P2 -","2","1","","Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Chemical communications (Cambridge, England)","2018","54","97","13746","13749","10.1039/c8cc07189f","","","1.54178","CuKα","","0.0386","0.0322","","","0.0805","0.0833","","","","","","1.039","","","","has coordinates,has disorder","228021","2020-10-21","18:00:00",""
"7122592","8.9577","0.0002","18.6647","0.0005","16.594","0.0004","90","","91.458","0.001","90","","2773.5","0.12","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 B Br F10 P -","- C28 H23 B Br F10 P -","- C112 H92 B4 Br4 F40 P4 -","4","1","","Ueno, Atsushi; Möricke, Jennifer; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Phosphirenium borate betaines from alkynylphosphanes and the halogeno-B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub> reagents.","Chemical communications (Cambridge, England)","2018","54","97","13746","13749","10.1039/c8cc07189f","","","1.54178","CuKα","","0.0428","0.0348","","","0.0763","0.0792","","","","","","1.105","","","","has coordinates","228021","2020-10-21","18:00:00",""
"7122593","4.6979","0.0003","7.2032","0.0004","12.158","0.0007","91.108","0.003","99.021","0.003","104.05","0.003","393.47","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","IB-266","","- C12 H14 N2 P2 S4 -","- C12 H14 N2 P2 S4 -","- C12 H14 N2 P2 S4 -","1","0.5","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","","0.71073","MoKα","","0.0281","0.0263","","","0.0621","0.063","","","","","","1.109","","","","has coordinates","228576","2020-10-21","18:00:00",""
"7122594","8.9737","0.0006","14.8907","0.0009","16.9261","0.0011","77.937","0.005","83.96","0.005","88.797","0.005","2199.5","0.2","123","","123","","","","","","","","","8","P -1","-P 1","2","","IB-365","","- C30 H62 K N3 O3 P2 S4 Si2 -","- C30 H62 K N3 O3 P2 S4 Si2 -","- C60 H124 K2 N6 O6 P4 S8 Si4 -","2","1","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","","0.71073","MoKα","","0.1095","0.0609","","","0.1395","0.1544","","","","","","0.859","","","","has coordinates,has disorder","228576","2020-10-21","18:00:00",""
"7122595","6.5353","0.0005","6.6119","0.0004","10.7915","0.0009","84.231","0.006","88.651","0.006","88.674","0.006","463.72","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","IB-266","","- C12 H14 Cl2 N2 P2 S4 -","- C12 H14 Cl2 N2 P2 S4 -","- C12 H14 Cl2 N2 P2 S4 -","1","0.5","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","x-ray","0.71073","MoKα","","0.0459","0.0329","","","0.1072","0.1225","","","","","","1.046","","","","has coordinates","228576","2020-10-21","18:00:00",""
"7122596","12.0838","0.0002","19.5676","0.0004","24.8575","0.0005","90","","95.5499","0.0009","90","","5850.03","0.19","100","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","IB-371","","- C36 H64 N6 P4 S8 Si4 -","- C36 H64 N6 P4 S8 Si4 -","- C144 H256 N24 P16 S32 Si16 -","4","1","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","","1.54178","CuKα","","0.0395","0.036","","","0.0938","0.096","","","","","","1.038","","","","has coordinates","228576","2020-10-21","18:00:00",""
"7122597","18.7088","0.0007","11.7664","0.0004","33.3168","0.0012","90","","90","","90","","7334.2","0.5","100","","100.02","","","","","","","","","6","P c a 21","P 2c -2ac","29","","IB-370","","- C30 H42 N3 P3 S4 Si2 -","- C30 H42 N3 P3 S4 Si2 -","- C240 H336 N24 P24 S32 Si16 -","8","2","","Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer","Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.","Chemical communications (Cambridge, England)","2018","54","96","13555","13558","10.1039/c8cc08158a","","x-ray","1.54178","CuKα","","0.1247","0.1158","","","0.275","0.2804","","","","","","1.131","","","","has coordinates","228576","2020-10-21","18:00:00",""
"7122598","7.1598","0.0005","24.1618","0.0015","10.4735","0.0007","90","","134.259","0.001","90","","1297.63","0.15","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 Zn2 -","- C24 H26 N2 O10 Zn2 -","- C48 H52 N4 O20 Zn4 -","2","0.5","","Volodin, Alexander D.; Korlyukov, Alexander A.; Zorina-Tikhonova, Ekaterina N; Chistyakov, Aleksandr S.; Sidorov, Aleksei A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Diastereoselective solid-state crossed photocycloaddition of olefins in a 3D Zn(ii) coordination polymer.","Chemical communications (Cambridge, England)","2018","54","98","13861","13864","10.1039/c8cc07734g","","","0.71073","MoKα","","0.0311","0.0278","","","0.0631","0.0645","","","","","","1.022","","","","has coordinates","228252","2020-10-21","18:00:00",""
"7122599","7.227","0.013","25.3","0.04","10.48","0.018","90","","134.6","0.04","90","","1364","4","375","","375","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 Zn2 -","- C24 H26 N2 O10 Zn2 -","- C48 H52 N4 O20 Zn4 -","2","0.5","","Volodin, Alexander D.; Korlyukov, Alexander A.; Zorina-Tikhonova, Ekaterina N; Chistyakov, Aleksandr S.; Sidorov, Aleksei A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Diastereoselective solid-state crossed photocycloaddition of olefins in a 3D Zn(ii) coordination polymer.","Chemical communications (Cambridge, England)","2018","54","98","13861","13864","10.1039/c8cc07734g","","","0.71073","MoKα","","0.0967","0.051","","","0.112","0.1301","","","","","","0.96","","","","has coordinates,has disorder","228252","2020-10-21","18:00:00",""
"7122600","7.1977","0.0004","24.7844","0.0012","10.4717","0.0006","90","","134.483","0.001","90","","1332.78","0.13","300","0.2","300","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O10 Zn2 -","- C24 H26 N2 O10 Zn2 -","- C48 H52 N4 O20 Zn4 -","2","0.5","","Volodin, Alexander D.; Korlyukov, Alexander A.; Zorina-Tikhonova, Ekaterina N; Chistyakov, Aleksandr S.; Sidorov, Aleksei A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Diastereoselective solid-state crossed photocycloaddition of olefins in a 3D Zn(ii) coordination polymer.","Chemical communications (Cambridge, England)","2018","54","98","13861","13864","10.1039/c8cc07734g","","","0.71073","MoKα","","0.0599","0.0373","","","0.0797","0.0879","","","","","","0.992","","","","has coordinates,has disorder","228252","2020-10-21","18:00:00",""
"7122601","7.1981","0.0009","24.07","0.003","7.4585","0.0009","90","","90.75","0.002","90","","1292.1","0.3","120","","120","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C24 H26 N2 O10 Zn2 -","- C24 H26 N2 O10 Zn2 -","- C48 H52 N4 O20 Zn4 -","2","1","","Volodin, Alexander D.; Korlyukov, Alexander A.; Zorina-Tikhonova, Ekaterina N; Chistyakov, Aleksandr S.; Sidorov, Aleksei A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Diastereoselective solid-state crossed photocycloaddition of olefins in a 3D Zn(ii) coordination polymer.","Chemical communications (Cambridge, England)","2018","54","98","13861","13864","10.1039/c8cc07734g","","","0.71073","MoKα","","0.1029","0.0843","","","0.188","0.198","","","","","","1.02","","","","has coordinates,has disorder","228252","2020-10-21","18:00:00",""
"7122602","17.719","0.004","28.837","0.007","23.889","0.006","90","","96.934","0.004","90","","12117","5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C169 H74.35 Cl15 N4 O10.68 S2 -","- C169 H74.358 Cl15 N4 O10.679 S2 -","- C676 H297.432 Cl60 N16 O42.716 S8 -","4","1","","Hashikawa, Yoshifumi; Hasegawa, Shota; Murata, Yasujiro","A single but hydrogen-bonded water molecule confined in an anisotropic subnanospace.","Chemical communications (Cambridge, England)","2018","54","97","13686","13689","10.1039/c8cc07339b","","","0.71073","MoKα","","0.1926","0.1579","","","0.4248","0.4527","","","","","","1.863","","","","has coordinates,has disorder","228023","2020-10-21","18:00:00",""
"7122603","13.8823","0.0018","17.675","0.002","21.013","0.003","91.943","0.002","109.228","0.002","108.323","0.002","4566.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H89.64 N6 Ni O4.67 S -","- C130 H89.642 N6 Ni O4.672 S -","- C260 H179.284 N12 Ni2 O9.344 S2 -","2","1","","Hashikawa, Yoshifumi; Hasegawa, Shota; Murata, Yasujiro","A single but hydrogen-bonded water molecule confined in an anisotropic subnanospace.","Chemical communications (Cambridge, England)","2018","54","97","13686","13689","10.1039/c8cc07339b","","","0.71073","MoKα","","0.0896","0.0607","","","0.1485","0.1745","","","","","","1.09","","","","has coordinates,has disorder","228023","2020-10-21","18:00:00",""
"7122604","27.187","0.006","5.4936","0.0009","24.825","0.006","90","","121.511","0.004","90","","3161","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Mo9 N2 O28 -","- C14 H18 Mo9 N2 O28 -","- C56 H72 Mo36 N8 O112 -","4","0.5","","Wei, Yong-Qin; Sun, Cai; Chen, Qing-Song; Wang, Ming-Sheng; Guo, Guo-Cong","Significant enhancement of conductance of a hybrid layered molybdate semiconductor by light or heat.","Chemical communications (Cambridge, England)","2018","54","100","14077","14080","10.1039/c8cc08220k","","","0.71073","MoKα","","0.0562","0.0407","","","0.11","0.123","","","","","","0.966","","","","has coordinates","228523","2020-10-21","18:00:00",""
"7122605","35.236","0.004","7.3453","0.0008","13.4985","0.0013","90","","96.077","0.003","90","","3474","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C152 H168 N8 O24 S8 -","8","1","","Cao, Bo; Wei, Yin; Shi, Min","Palladium-catalyzed intramolecular transfer hydrogenation & cycloaddition of p-quinamine-tethered alkylidenecyclopropanes to synthesize perhydroindole scaffolds.","Chemical communications (Cambridge, England)","2018","54","100","14085","14088","10.1039/c8cc09041f","","","0.71073","MoKα","","0.0966","0.0583","","","0.1279","0.1538","","","","","","1.033","","","","has coordinates","228525","2020-10-21","18:00:00",""
"7122606","7.0366","0.0005","20.3622","0.0013","12.3027","0.001","90","","96.424","0.003","90","","1751.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C76 H92 N4 O12 S4 -","4","1","","Cao, Bo; Wei, Yin; Shi, Min","Palladium-catalyzed intramolecular transfer hydrogenation & cycloaddition of p-quinamine-tethered alkylidenecyclopropanes to synthesize perhydroindole scaffolds.","Chemical communications (Cambridge, England)","2018","54","100","14085","14088","10.1039/c8cc09041f","","","0.71073","MoKα","","0.086","0.0725","","","0.2099","0.2223","","","","","","1.031","","","","has coordinates","228525","2020-10-21","18:00:00",""
"7122607","19.5487","0.0006","19.5487","0.0006","29.8878","0.0016","90","","90","","90","","11421.7","0.8","147","2","147","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C208 H224 N64 Ni16 O64 -","- C208 H224 N64 Ni16 O64 -","- C208 H224 N64 Ni16 O64 -","1","","","Kivi, Charlie Eric William; Gelfand, Benjamin Sidney; Dureckova, Hana; Ho, Ha T. K.; Ma, Cindy; Shimizu, George K. H.; Woo, Tom; Song, Datong","3D Porous Metal‒Organic Framework for Selective Adsorption of Methane over Dinitrogen under Ambient Pressure","Chemical Communications","2018","","","","","10.1039/C8CC07756H","","","1.54178","CuKα","","0.1465","0.1251","","","0.2796","0.2906","","","","","","1.022","","","","has coordinates,has disorder","212074","2020-10-21","18:00:00",""
"7122608","9.7375","0.001","9.7375","0.001","15.684","0.002","90","","90","","90","","1487.1","0.3","105","2","105","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C38 H22 N10 O0.84 Si -","- C38 H22 N10 O0.84 Si -","- C76 H44 N20 O1.68 Si2 -","2","0.25","","Kocherga, Margaret; Castaneda, Jose; Walter, Michael G.; Zhang, Yong; Saleh, Nemah-Allah; Wang, Le; Jones, Daniel S.; Merkert, Jon; Donovan-Merkert, Bernadette; Li, Yanzeng; Hofmann, Tino; Schmedake, Thomas A.","Si(bzimpy)<sub>2</sub> - a hexacoordinate silicon pincer complex for electron transport and electroluminescence.","Chemical communications (Cambridge, England)","2018","54","100","14073","14076","10.1039/c8cc07681b","","x-ray","0.71073","MoKα","","0.0859","0.0783","","","0.1626","0.1665","","","","","","1.195","","","","has coordinates","228522","2020-10-21","18:00:00",""
"7122609","13.2012","0.0009","15.1666","0.001","16.3854","0.0011","98.384","0.002","111.38","0.002","108.519","0.002","2766.6","0.3","80","2","80","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","4","2","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0365","0.0263","","","0.0533","0.0563","","","","","","1.016","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122610","13.0769","0.0004","15.2036","0.0004","16.9342","0.0005","99.7454","0.001","109.665","0.001","107.534","0.0009","2882.52","0.15","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","4","2","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1335","0.0777","","","0.2031","0.2349","","","","","","1.074","","","","has coordinates,has disorder","228164","2020-10-21","18:00:00",""
"7122611","10.4577","0.0017","12.4576","0.0019","12.4979","0.0018","85.451","0.005","68.607","0.005","82.521","0.006","1502.2","0.4","400","2","400","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0936","0.0585","","","0.1435","0.1695","","","","","","1.017","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122612","13.137","0.0012","15.1638","0.0011","16.736","0.0012","99.164","0.003","110.439","0.003","107.866","0.003","2837.6","0.4","260","2","260","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.091","0.0645","","","0.1683","0.1919","","","","","","1.001","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122613","12.089","0.002","15.242","0.003","17.019","0.004","100.06","0.007","104.032","0.007","100.712","0.007","2908.8","1","320","2","320","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0583","0.0358","","","0.1131","0.1394","","","","","","1.12","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122614","13.2006","0.0008","15.1682","0.0008","16.4695","0.0009","98.582","0.002","111.11","0.002","108.38","0.002","2787.9","0.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0379","0.0267","","","0.0671","0.0764","","","","","","1.037","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122615","13.182","0.002","15.175","0.003","16.539","0.003","98.923","0.006","110.826","0.006","108.11","0.006","2804.6","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","4","2","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0447","0.0296","","","0.0597","0.0649","","","","","","1.019","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122616","10.4868","0.0012","12.5077","0.0014","12.6045","0.0013","85.095","0.004","68.271","0.004","82.281","0.004","1520.7","0.3","410","2","410","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1363","0.0854","","","0.1856","0.2288","","","","","","1.026","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122617","12.347","0.001","15.1937","0.0012","17.255","0.0015","100.149","0.003","105.447","0.003","100.713","0.003","2977.3","0.4","390","2","390","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Br4 Mn2 N2 O4 P4 -","- C58 H47 Br4 Mn2 N2 O4 P4 -","- C116 H94 Br8 Mn4 N4 O8 P8 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1278","0.051","","","0.1377","0.1828","","","","","","1.015","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122618","10.4487","0.0014","12.5208","0.0016","12.6339","0.0016","84.869","0.005","68.184","0.005","82.196","0.005","1518.9","0.3","420","2","420","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.0982","0.0597","","","0.1797","0.2104","","","","","","1.06","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122619","10.449","0.003","12.532","0.003","12.846","0.003","84.23","0.008","67.331","0.007","81.688","0.008","1534","0.7","480","2","480","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1102","0.0523","","","0.1481","0.1927","","","","","","0.904","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122620","10.4536","0.0009","12.51","0.001","12.7069","0.001","84.743","0.003","67.952","0.003","82.162","0.003","1524.3","0.2","440","2","440","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C58 H46 Br4 Mn2 N2 O4 P4 -","2","1","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1117","0.0575","","","0.1628","0.1857","","","","","","1.109","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122621","12.352","0.01","15.347","0.011","17.295","0.012","99.95","0.02","104.61","0.02","100.46","0.02","3036","4","360","2","360","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br2 Mn N O2 P2 -","- C29 H23 Br2 Mn N O2 P2 -","- C116 H92 Br8 Mn4 N4 O8 P8 -","4","2","","Wu, Yue; Zhang, Xu; Zhang, Yun-Qin; Yang, Ming; Chen, Zhong-Ning","Achievement of ligand-field induced thermochromic luminescence via two-step single-crystal to single-crystal transformations.","Chemical communications (Cambridge, England)","2018","54","99","13961","13964","10.1039/c8cc08665f","","","0.71073","MoKα","","0.1115","0.0592","","","0.1365","0.1698","","","","","","0.9","","","","has coordinates","228164","2020-10-21","18:00:00",""
"7122622","16.2229","0.0011","10.6431","0.0005","12.0294","0.0007","90","","98.65","0.005","90","","2053.4","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Sun, Jiarui; Cheng, Xiangsheng; Mansaray, John Kamanda; Fei, Weihong; Wan, Jieping; Yao, Weijun","A copper-catalyzed three component reaction of aryl acetylene, sulfonyl azide and enaminone to form iminolactone via 6π electrocyclization.","Chemical communications (Cambridge, England)","2018","54","99","13953","13956","10.1039/c8cc06868b","","","0.71073","MoKα","","0.0747","0.0494","","","0.1161","0.1381","","","","","","1.048","","","","has coordinates","228163","2020-10-21","18:00:00",""
"7122623","28.5163","0.0015","9.9416","0.0005","26.6193","0.0013","90","","110.609","0.003","90","","7063.6","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C82 H75 F3 O10 S3 Zn0.5 -","- C73 H50 F3 O10 S3 Zn0.5 -","- C292 H200 F12 O40 S12 Zn2 -","4","1","","Reiné, Pablo; Ortuño, Ana M; Resa, Sandra; Álvarez de Cienfuegos, Luis; Blanco, Victor; Ruedas-Rama, M José; Mazzeo, Giuseppe; Abbate, Sergio; Lucotti, Andrea; Tommasini, Matteo; Guisán-Ceinos, Santiago; Ribagorda, Maria; Campaña, Araceli G; Mota, Antonio; Longhi, Giovanna; Miguel, Delia; Cuerva, Juan M.","OFF/ON switching of circularly polarized luminescence by oxophilic interaction of homochiral sulfoxide-containing o-OPEs with metal cations.","Chemical communications (Cambridge, England)","2018","54","99","13985","13988","10.1039/c8cc08395a","","","1.54178","CuKα","","0.101","0.0963","","","0.2528","0.2584","","","","","","1.046","","","","has coordinates","228160","2020-10-21","18:00:00",""
"7122624","6.1464","0.0011","6.8359","0.0012","19.339","0.003","90","","90","","90","","812.6","0.2","90","","90","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","0.5","","An, Peng; Wu, Hsuan-Yi; Lewandowski, Tracey M.; Lin, Qing","Hydrophilic azaspiroalkenes as robust bioorthogonal reporters.","Chemical communications (Cambridge, England)","2018","54","99","14005","14008","10.1039/c8cc07432a","","","0.71073","MoKα","","0.0673","0.0502","","","0.1098","0.1154","","","","","","1.123","","","","has coordinates","228162","2020-10-21","18:00:00",""
"7122625","7.6093","0.0012","14.413","0.002","14.072","0.002","90","","93.861","0.003","90","","1539.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Liu, Zhen-Ting; Hu, Xiang-Ping","Copper-catalyzed, silver-mediated formal [3+2] cycloaddition of simple alkynes with β-ketoesters through propargylic C(sp<sup>3</sup>)-H functionalization.","Chemical communications (Cambridge, England)","2018","54","100","14100","14103","10.1039/c8cc08013e","","","0.71073","MoKα","","0.065","0.0457","","","0.1172","0.129","","","","","","1.03","","","","has coordinates","228527","2020-10-21","18:00:00",""
"7122626","11.1633","0.0011","12.2381","0.0014","15.3155","0.0016","102.079","0.009","93.931","0.009","93.152","0.009","2036.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,3-bis(4-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)phenyl)quinoxaline","","- C11.33 H9.33 N0.89 O0.22 -","- C11.3333 H9.33333 N0.888889 O0.222222 -","- C102 H84 N8 O2 -","9","4.5","","Pashazadeh, Ramin; Pander, Piotr; Bucinskas, Audrius; Skabara, Peter J.; Dias, Fernando B.; Grazulevicius, Juozas V.","An iminodibenzyl-quinoxaline-iminodibenzyl scaffold as a mechanochromic and dual emitter: donor and bridge effects on optical properties.","Chemical communications (Cambridge, England)","2018","54","98","13857","13860","10.1039/c8cc06981f","","x-ray","0.71073","MoKα","","0.1725","0.0771","","","0.1958","0.2679","","","","","","0.99","","","","has coordinates","228254","2020-10-21","18:00:00",""
"7122627","12.135","0.004","12.225","0.003","17.067","0.004","78.98","0.02","81.21","0.02","67.65","0.03","2289.5","1.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3-bis(4-(5H-dibenzo[b,f]azepin-5-yl)phenyl)quinoxaline","","- C9.6 H6.4 N0.8 -","- C9.6 H6.4 N0.8 -","- C96 H64 N8 -","10","5","","Pashazadeh, Ramin; Pander, Piotr; Bucinskas, Audrius; Skabara, Peter J.; Dias, Fernando B.; Grazulevicius, Juozas V.","An iminodibenzyl-quinoxaline-iminodibenzyl scaffold as a mechanochromic and dual emitter: donor and bridge effects on optical properties.","Chemical communications (Cambridge, England)","2018","54","98","13857","13860","10.1039/c8cc06981f","","x-ray","0.71073","MoKα","","0.1816","0.0764","","","0.1913","0.258","","","","","","0.868","","","","has coordinates","228254","2020-10-21","18:00:00",""
"7122628","17.8574","0.0005","16.674","0.0005","22.6906","0.0005","90","","126.841","0.002","90","","5407","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 K10 N20 O13 W6 -","- C24 K10 N20 O13 W6 -","- C96 K40 N80 O52 W24 -","4","1","","Yarovoy, Spartak S.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Kompankov, Nikolay B.; Gayfulin, Yakov M.; Asanov, Igor P.; Yanshole, Vadim V.; Mironov, Yuri V.","From oxide to a new type of molecular tungsten compound: formation of bitetrahedral cluster complexes [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-CCN)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10-</sup> and [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-As)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10</sup>.","Chemical communications (Cambridge, England)","2018","54","98","13837","13840","10.1039/c8cc07746k","","","0.71073","MoKα","","0.053","0.0348","","","0.0779","0.0836","","","","","","1.049","","","","has coordinates","228257","2020-10-21","18:00:00",""
"7122629","11.844","0.0003","17.5913","0.0004","12.0559","0.0003","90","","107.084","0.001","90","","2401.03","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 As4 K10 N16 O10 W6 -","- C16 As4 K10 N16 O10 W6 -","- C32 As8 K20 N32 O20 W12 -","2","0.5","","Yarovoy, Spartak S.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Kompankov, Nikolay B.; Gayfulin, Yakov M.; Asanov, Igor P.; Yanshole, Vadim V.; Mironov, Yuri V.","From oxide to a new type of molecular tungsten compound: formation of bitetrahedral cluster complexes [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-CCN)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10-</sup> and [{W<sub>6</sub>(μ<sub>4</sub>-O)<sub>2</sub>(μ<sub>3</sub>-As)<sub>4</sub>}(CN)<sub>16</sub>]<sup>10</sup>.","Chemical communications (Cambridge, England)","2018","54","98","13837","13840","10.1039/c8cc07746k","","","0.71073","MoKα","","0.0459","0.0337","","","0.0759","0.0798","","","","","","1.044","","","","has coordinates,has disorder","228257","2020-10-21","18:00:00",""
"7122630","8.063","0.017","15.52","0.03","19.7","0.04","90","","99.82","0.03","90","","2429","9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","2","","Jin, Tao; Yuan, Hongdong; Su, Shikuan; Jia, Xueshun; Li, Chunju; Li, Jian; Fang, Jianhui","Carbon-nitrogen bond cleavage of pyridine with two molecular substituted allenoates: access to 2-arylpyrimidin-4(3H)-one.","Chemical communications (Cambridge, England)","2018","54","100","14128","14131","10.1039/c8cc08946a","","","0.71073","MoKα","","0.12","0.0729","","","0.1913","0.2245","","","","","","1.127","","","","has coordinates","228524","2020-10-21","18:00:00",""
"7122631","8.186","0.006","11.746","0.009","14.341","0.011","105.73","0.009","96.421","0.009","101.473","0.009","1280.5","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O3 -","- C30 H30 N2 O3 -","- C60 H60 N4 O6 -","2","1","","Jin, Tao; Yuan, Hongdong; Su, Shikuan; Jia, Xueshun; Li, Chunju; Li, Jian; Fang, Jianhui","Carbon-nitrogen bond cleavage of pyridine with two molecular substituted allenoates: access to 2-arylpyrimidin-4(3H)-one.","Chemical communications (Cambridge, England)","2018","54","100","14128","14131","10.1039/c8cc08946a","","","0.71073","MoKα","","0.0623","0.0464","","","0.1193","0.1333","","","","","","1.026","","","","has coordinates","228524","2020-10-21","18:00:00",""
"7122632","19.306","0.003","10.033","0.002","11.1506","0.0014","90","","93.091","0.013","90","","2156.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","unk","","- C22 H27 N3 O5 -","- C22 H27 N3 O5 -","- C88 H108 N12 O20 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.2791","0.2241","","","0.5229","0.5529","","","","","","1.741","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122633","10.4148","0.0015","10.5315","0.0009","15.0526","0.0018","90","","90","","90","","1651","0.3","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","unk","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.1505","0.0669","","","0.0983","0.1412","","","","","","1.004","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122634","13.692","0.003","9.81","0.002","21.438","0.005","90","","90","","90","","2879.5","1.1","296","2","296","2","","","","","","","synthesis","4","P b c a","-P 2ac 2ab","61","","unk","","- C2.48 H2.07 N0.14 O0.41 -","- C2.48276 H2.06897 N0.137931 O0.413793 -","- C144 H120 N8 O24 -","58","7.25","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.0661","0.0463","","","0.1193","0.1312","","","","","","1.053","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122635","11.6484","0.0007","13.0417","0.0005","11","0.0006","90","","91.035","0.005","90","","1670.79","0.15","293","2","293","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","unk","","- C19 H16 Br N O3 -","- C19 H16 Br N O3 -","- C76 H64 Br4 N4 O12 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.0819","0.0501","","","0.1238","0.1489","","","","","","1.06","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122636","11.796","0.0011","11.9194","0.0012","11.1919","0.001","90","","90.881","0.006","90","","1573.4","0.3","296","2","296","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","unk","","- C2.45 H2.19 N0.13 O0.39 -","- C2.45161 H2.19355 N0.129032 O0.387097 -","- C76 H68 N4 O12 -","31","7.75","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.0721","0.05","","","0.129","0.1432","","","","","","1.05","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122637","5.4752","0.0008","17.649","0.002","13.8907","0.0017","90","","94.311","0.015","90","","1338.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","unk","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.1361","0.0775","","","0.1733","0.2356","","","","","","0.963","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122638","3.9089","0.0013","23.323","0.008","12.35","0.004","90","","94.388","0.004","90","","1122.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 N O2 -","- C16 H9 N O2 -","- C64 H36 N4 O8 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","","0.71073","MoKα","","0.0587","0.0416","","","0.0972","0.1112","","","","","","1.051","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122639","8.658","0.002","11.271","0.003","27.041","0.006","90","","90","","90","","2638.8","1.1","297.15","0.1","297.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16.5 H20 O0.5 -","- C16.5 H20 O0.5 -","- C132 H160 O4 -","8","2","","Xiao, Wen-Jing; Zhou, Quan-Quan; Düsel, Simon Josef; Lu, Liang-Qiu; König, Burkhard","Alkenylation of unactivated alkyl bromides through visible light photocatalysis","Chemical Communications","2018","","","","","10.1039/C8CC08362B","","","0.71073","MoKα","","0.096","0.0457","","","0.095","0.114","","","","","","0.948","","","","has coordinates","212181","2020-10-21","18:00:00",""
"7122640","9.892","0.0007","6.7802","0.0004","11.6465","0.0008","90","","90.292","0.008","90","","781.12","0.09","295.26","0.1","295.26","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Zhu, Shi-Ya; Zhang, Hua; Ma, Qing-Wei; Liu, Dou; Hui, Xin-Ping","Oxidative NHCs catalysis: direct activation of β sp3 carbons of saturated acid chlorides","Chemical Communications","2018","","","","","10.1039/C8CC08578A","","","0.7107","MoKα","","0.0799","0.05","","","0.0911","0.1128","","","","","","1.041","","","","has coordinates","212182","2020-10-21","18:00:00",""
"7122641","9.1112","0.0004","11.0761","0.0004","18.401","0.0007","90","","90","","90","","1856.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Chen, Chao; Hao, Yu; Zhang, Ting-Yu; Pan, Jin-Long; Ding, Jun; Xiang, Heng-Ye; Wang, Man; Ding, Tong-Mei; Duan, Abing; Zhang, Shuyu","Computational and Experimental Studies on Copper-Mediated Selective Cascade C-H/N-H Annulation of Electron-Deficient Acrylamide with Arynes","Chemical Communications","2018","","","","","10.1039/C8CC08708C","","","1.54178","CuKα","","0.0611","0.0421","","","0.0966","0.106","","","","","","1.023","","","","has coordinates","212183","2020-10-21","18:00:00",""
"7122642","10.1876","0.0008","11.4336","0.0009","11.504","0.0009","114.154","0.008","91.303","0.006","94.57","0.006","1216.53","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H42 Co N2 Si2 -","- C19 H42 Co N2 Si2 -","- C38 H84 Co2 N4 Si4 -","2","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.035","0.0335","","","0.0779","0.0788","","","","","","1.035","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122643","19.9887","0.0009","14.6087","0.0006","18.638","0.0009","90","","116.655","0.006","90","","4864.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H46 Co N2 -","- C23 H46 Co N2 -","- C184 H368 Co8 N16 -","8","2","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0953","0.0664","","","0.1317","0.1445","","","","","","1.057","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122644","15.1042","0.0003","9.823","0.0002","15.6224","0.0004","90","","99.477","0.002","90","","2286.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 Co N2 -","- C21 H42 Co N2 -","- C84 H168 Co4 N8 -","4","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0517","0.0474","","","0.1083","0.111","","","","","","1.057","","","","has coordinates,has disorder","228258","2020-10-21","18:00:00",""
"7122645","15.49","0.0007","10.6608","0.0004","17.9769","0.0007","90","","104.618","0.004","90","","2872.5","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H54 Co P2 Si2 -","- C22 H54 Co P2 Si2 -","- C88 H216 Co4 P8 Si8 -","4","0.5","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0297","0.0288","","","0.0686","0.0691","","","","","","1.021","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122646","17.7086","0.0008","16.5959","0.0006","12.4453","0.0006","90","","120.799","0.006","90","","3141.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H40 Co N2 -","- C39 H40 Co N2 -","- C156 H160 Co4 N8 -","4","0.5","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0327","0.0315","","","0.0726","0.0733","","","","","","1.046","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122647","8.3199","0.0003","9.8137","0.0003","11.2729","0.0003","69.434","0.003","87.336","0.003","78.887","0.003","845.38","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H52 Mg2 -","- C40 H52 Mg2 -","- C40 H52 Mg2 -","1","0.5","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","0.71073","MoKα","","0.0413","0.0361","","","0.0933","0.0962","","","","","","1.03","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122648","13.5926","0.0004","17.2078","0.0007","17.6656","0.0007","90","","90","","90","","4132","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Co P2 -","- C20 H36 Co P2 -","- C160 H288 Co8 P16 -","8","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0462","0.04","","","0.083","0.0858","","","","","","1.094","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122649","15.4002","0.0007","9.5019","0.0003","17.5196","0.0008","90","","90.785","0.004","90","","2563.42","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H46 Co N2 Si2 -","- C21 H46 Co N2 Si2 -","- C84 H184 Co4 N8 Si8 -","4","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0537","0.0483","","","0.1207","0.1263","","","","","","1.065","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122650","11.7966","0.0004","9.3515","0.0003","21.2898","0.0006","90","","95.121","0.003","90","","2339.23","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Co N2 O2 Si -","- C20 H38 Co N2 O2 Si -","- C80 H152 Co4 N8 O8 Si4 -","4","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","1.54184","CuKα","","0.0351","0.0329","","","0.0783","0.0798","","","","","","1.054","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122651","10.6538","0.0005","11.3442","0.0004","11.9505","0.0005","100.249","0.003","109.396","0.004","101.338","0.003","1288.75","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Co N2 O2 -","- C26 H40 Co N2 O2 -","- C52 H80 Co2 N4 O4 -","2","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","","0.71073","MoKα","","0.0389","0.032","","","0.0732","0.0764","","","","","","1.054","","","","has coordinates","228258","2020-10-21","18:00:00",""
"7122652","11.8818","0.0001","20.2773","0.0001","11.9197","0.0001","90","","91.93","0.001","90","","2870.19","0.04","104","1","104","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Co N2 -","- C31 H46 Co N2 -","- C124 H184 Co4 N8 -","4","1","","Enachi, Andreea; Baabe, Dirk; Zaretzke, Marc-Kevin; Schweyen, Peter; Freytag, Matthias; Raeder, Jan; Walter, Marc D.","[(NHC)CoR<sub>2</sub>]: pre-catalysts for homogeneous olefin and alkyne hydrogenation.","Chemical communications (Cambridge, England)","2018","54","98","13798","13801","10.1039/c8cc08891h","","x-ray","1.54184","CuKα","","0.0357","0.0333","","","0.0817","0.083","","","","","","1.057","","","","has coordinates,has disorder","228258","2020-10-21","18:00:00",""
"7122653","9.6668","0.0004","16.0328","0.0006","12.9821","0.0005","90","","96.27","0.001","90","","2000.01","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","JF-422","","- C16 H22 N O6 P W -","- C16 H22 N O6 P W -","- C64 H88 N4 O24 P4 W4 -","4","1","","Fassbender, Jan; Schnakenburg, Gregor; Gates, Derek P.; Espinosa Ferao, Arturo; Streubel, Rainer","Unconventional ionic ring-deconstruction pathways of a three-membered heterocycle.","Chemical communications (Cambridge, England)","2018","54","99","14013","14016","10.1039/c8cc08713j","","","0.71073","MoKα","","0.0138","0.0125","","","0.0302","0.0307","","","","","","1.054","","","","has coordinates","228161","2020-10-21","18:00:00",""
"7122654","6.2467","0.0006","7.3879","0.0008","33.6","0.003","90","","90","","90","","1550.6","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl Cs2 Ga3 Mn2 S7 -","- Cl Cs2 Ga3 Mn2 S7 -","- Cl4 Cs8 Ga12 Mn8 S28 -","4","0.5","","Zheng, Yu-Jun; Shi, Yong-Fang; Tian, Chong-Bin; Lin, Hua; Wu, Li-Ming; WU, XIN-TAO; Zhu, Qi-Long","An Unprecedented Pentanary Chalcohalide with the Mn Atoms in Two Chemical Environments: Unique Bonding Characteristics and Magnetic Properties","Chemical Communications","2018","","","","","10.1039/C8CC08380K","","","0.71073","MoKα","","0.0492","0.0381","","","0.0944","0.1","","","","","","1.092","","","","has coordinates","212232","2020-10-21","18:00:00",""
"7122655","7.5125","0.0003","5.8369","0.0002","19.3089","0.0007","90","","90","","90","","846.69","0.05","120","0.1","120","0.1","","","","","","","","3","C m c e","-C 2ac 2","64","","Trifluoroiodomethane","","- C F3 I -","- C F3 I -","- C8 F24 I8 -","8","0.5","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0385","0.0383","","","0.0892","0.0893","","","","","","1.096","","","","has coordinates,has disorder","212233","2020-10-21","18:00:00",""
"7122656","11.7746","0.0007","7.8765","0.0007","11.2397","0.0009","90","","90","","90","","1042.4","0.14","160","0.1","160","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","1,1,1-Trifluoro-2-iodoethane benzene","","- C8 H8 F3 I -","- C8 H8 F3 I -","- C32 H32 F12 I4 -","4","0.25","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0298","0.0244","","","0.0578","0.0614","","","","","","1.114","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7122657","11.6928","0.0005","7.8172","0.0005","11.17","0.0007","90","","90","","90","","1020.99","0.1","100","0.1","100","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","1,1,1-Trifluoro-2-iodoethane benzene","","- C8 H8 F3 I -","- C8 H8 F3 I -","- C32 H32 F12 I4 -","4","0.25","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0234","0.0203","","","0.0452","0.0473","","","","","","1.091","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7122658","20.4193","0.0002","20.4193","0.0002","4.7907","0.0002","90","","90","","90","","1997.47","0.09","185","0.1","185","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","1,1,1-Trifluoro-2-iodoethane","","- C2 H2 F3 I -","- C2 H2 F3 I -","- C32 H32 F48 I16 -","16","1","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0212","0.0209","","","0.046","0.0461","","","","","","1.298","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7122659","20.2203","0.0003","20.2203","0.0003","4.7384","0.0002","90","","90","","90","","1937.34","0.09","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","1,1,1-Trifluoro-2-iodoethane","","- C2 H2 F3 I -","- C2 H2 F3 I -","- C32 H32 F48 I16 -","16","1","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0229","0.0229","","","0.052","0.052","","","","","","1.409","","","","has coordinates","212233","2020-10-21","18:00:00",""
"7122660","8.705","0.0005","8.7152","0.0004","9.7655","0.0006","90","","110.146","0.007","90","","695.54","0.07","140","0.1","140","0.1","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Bis(trifluoroiodomethane) benzene","","- C8 H6 F6 I2 -","- C8 H6 F6 I2 -","- C16 H12 F12 I4 -","2","0.25","","Bujak, Maciej; Stammler, Georg; Blomeyer, Sebastian; Mitzel, Norbert Werner","The Nature of Interactions of Benzene with CF3I and CF3CH2I","Chemical Communications","2018","","","","","10.1039/C8CC08980A","","","0.71073","MoKα","","0.0344","0.0334","","","0.0836","0.0847","","","","","","1.145","","","","has coordinates,has disorder","212233","2020-10-21","18:00:00",""
"7122661","8.7338","0.0006","10.3698","0.0008","13.3729","0.0009","90","","90.226","0.007","90","","1211.14","0.15","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N O S -","- C12 H17 N O S -","- C48 H68 N4 O4 S4 -","4","1","","An, Yang; Zhang, Xiao-Ming; Li, Ze-Yu; Xiong, Wen-Hui; Yu, Run-Dong; Zhang, Fu-Min","Transition-Metal-Free α-Arylation of Nitroketones with Diaryliodonium Salts for the Synthesis of Tertiary α-Aryl, α-Nitro Ketones","Chemical Communications","2018","","","","","10.1039/C8CC08920E","","","0.71073","MoKα","","0.1081","0.0609","","","0.1453","0.1837","","","","","","1.041","","","","has coordinates,has disorder","212234","2020-10-21","18:00:00",""
"7122662","7.6972","0.0003","12.837","0.0004","25.266","0.0011","90","","90","","90","","2496.51","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C96 H96 N16 O40 -","8","1","","An, Yang; Zhang, Xiao-Ming; Li, Ze-Yu; Xiong, Wen-Hui; Yu, Run-Dong; Zhang, Fu-Min","Transition-Metal-Free α-Arylation of Nitroketones with Diaryliodonium Salts for the Synthesis of Tertiary α-Aryl, α-Nitro Ketones","Chemical Communications","2018","","","","","10.1039/C8CC08920E","","","0.71073","MoKα","","0.0879","0.0566","","","0.1319","0.1546","","","","","","1.049","","","","has coordinates","212234","2020-10-21","18:00:00",""
"7122663","11.0589","0.0009","12.7626","0.0013","15.34","0.0012","90","","90","","90","","2165.1","0.3","291.01","0.1","291.01","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","1","","An, Yang; Zhang, Xiao-Ming; Li, Ze-Yu; Xiong, Wen-Hui; Yu, Run-Dong; Zhang, Fu-Min","Transition-Metal-Free α-Arylation of Nitroketones with Diaryliodonium Salts for the Synthesis of Tertiary α-Aryl, α-Nitro Ketones","Chemical Communications","2018","","","","","10.1039/C8CC08920E","","","0.7107","MoKα","","0.0989","0.0582","","","0.118","0.1468","","","","","","1.103","","","","has coordinates","212234","2020-10-21","18:00:00",""
"7122664","18.247","0.003","18.281","0.003","9.4115","0.0017","90","","90","","90","","3139.4","0.9","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C8 H35 Co4 F N6 O25 P6 -","- C8 H35 Co4 F N6 O25 P6 -","- C32 H140 Co16 F4 N24 O100 P24 -","4","1","","Tong, Xiaoqiang; Jing, Chaojie; Dong, Zhaojun; Zhang, Na; Bi, Lijun; Wang, Yanyan; Cai, Hua; An, Dongmin; Lian, Xiaoxue; Wang, qiong; Zhou, Qingjun; Guo, Ying; Yan, Yan; Yan, Wenfu","A chiral open-framework fluorinated cobalt phosphate consists of distorted F-encapsulated double 4-ring units with bulk homochirality","Chemical Communications","2018","","","","","10.1039/C8CC07161F","","","0.71073","MoKα","","0.0624","0.0444","","","0.0736","0.0785","","","","","","0.909","","","","has coordinates","212242","2020-10-21","18:00:00",""
"7122665","10.116","0.0013","26.145","0.003","27.303","0.003","90","","90","","90","","7221.2","1.5","93","","93","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C36 H55 Br N4 O Ru -","- C32 H45 Br N4 Ru -","- C256 H360 Br8 N32 Ru8 -","8","1","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.1026","0.0609","","","0.1209","0.1374","","","","","","0.854","","","","has coordinates","212256","2020-10-21","18:00:00",""
"7122666","12.341","0.009","13.779","0.009","17.827","0.012","98.921","0.004","108.772","0.01","110.878","0.008","2554","3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C117 H128 N8 O2 P4 Ru2 S2 -","- C117 H128 N8 O2 P4 Ru2 S2 -","- C117 H128 N8 O2 P4 Ru2 S2 -","1","0.5","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.072","0.0477","","","0.1182","0.1276","","","","","","0.906","","","","has coordinates","212256","2020-10-21","18:00:00",""
"7122667","14.936","0.003","16.296","0.003","22.411","0.004","92.417","0.002","101.754","0.002","104.913","0.0018","5134.6","1.7","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C116.5 H124 Br K N8 P4 Ru2 -","- C114 H118 Br K N8 P4 Ru2 -","- C228 H236 Br2 K2 N16 P8 Ru4 -","2","1","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.0581","0.0503","","","0.1322","0.1357","","","","","","1.023","","","","has coordinates,has disorder","212256","2020-10-21","18:00:00",""
"7122668","47.685","0.005","47.685","0.005","12.1985","0.0016","90","","90","","120","","24022","5","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C118.5 H128 N10 O2 P4 Ru2 -","- C108 H112 N10 O2 P4 Ru2 -","- C972 H1008 N90 O18 P36 Ru18 -","9","0.5","","Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki","Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage","Chemical Communications","2018","","","","","10.1039/C8CC08384C","","","0.71075","MoKα","","0.0745","0.0649","","","0.18","0.1914","","","","","","1.057","","","","has coordinates,has disorder","212256","2020-10-21","18:00:00",""
"7122669","8.812993","0.000045","8.862578","0.000048","8.207642","0.000042","90","","110.105","0.00052","90","","602.003","0.006","200","","200","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- B12 H44 Li4 N4 -","- B3 H11 Li N -","- B12 H44 Li4 N4 -","4","1","","Zheng, Xiongfei; Yang, Yanjing; Li, Mengxuan; Zhao, Fengqi; Gu, Qinfen; Ma, Xiaohua; Guo, Yanhui","Li(NH3)B3H8: A new ionic liquid octahydrotriborate","Chemical Communications","2018","","","","","10.1039/C8CC08300B","powder diffraction","x-ray","0.8271","synchrotron","","0.0289","","","","","","","","1.73","","","","","","","has coordinates","212257","2020-10-21","18:00:00",""
"7122670","4.8832","0.0003","7.6289","0.0004","45.134","0.003","90","","90.819","0.003","90","","1681.23","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 S2 -","- C42 H52 S2 -","- C84 H104 S4 -","2","0.5","","Hsu, Tze-Gang; Chou, Hsiao-Chieh; Liang, Ming-Ju; Lai, Yu-Ying; Cheng, Yen-Ju","Regio- and Stereo-Selective [4+4] Photodimerization of Angular-shaped Dialkyltetracenedithiophene","Chemical Communications","2018","","","","","10.1039/C8CC09485C","","","1.54178","CuKα","","0.0857","0.0832","","","0.2677","0.2736","","","","","","1.1","","","","has coordinates","212258","2020-10-21","18:00:00",""
"7122671","11.0605","0.0007","47.299","0.003","22.5731","0.0014","90","","93.175","0.005","90","","11791","1.3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33.43 H141.23 N16.72 O74.84 S16.71 V8 -","- C33.434 H141.236 N16.717 O74.836 S16.709 V8 -","- C133.736 H564.944 N66.868 O299.344 S66.836 V32 -","4","1","","Sorolla, Maurice; Wang, Xiqu; Makarenko, Tatayana; Jacobson, Allan J.","A Large Spin, Magnetically Anisotropic, Octanuclear Vanadium(III) Wheel","Chemical Communications","2018","","","","","10.1039/C8CC08372J","","","0.71073","MoKα","","0.09","0.0639","","","0.1959","0.2033","","","","","","0.977","","","","has coordinates,has disorder","212259","2020-10-21","18:00:00",""
"7122672","7.334","0.002","7.357","0.002","24.271","0.008","86.844","0.006","86.08","0.006","61.766","0.005","1150.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 B10 N4 O2 -","- C16 H24 B10 N4 O2 -","- C32 H48 B20 N8 O4 -","2","1","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.1512","0.0865","","","0.2658","0.3298","","","","","","1.047","","","","has coordinates,has disorder","212260","2020-10-21","18:00:00",""
"7122673","8.3378","0.0011","12.0979","0.0016","20.336","0.003","75.448","0.002","79.942","0.002","85.845","0.002","1954.1","0.5","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H53 B10 Cl2 Ir2 N2 O -","- C32 H53 B10 Cl2 Ir2 N2 O -","- C64 H106 B20 Cl4 Ir4 N4 O2 -","2","1","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.0423","0.0346","","","0.1034","0.1099","","","","","","1.098","","","","has coordinates","212261","2020-10-21","18:00:00",""
"7122674","12.3557","0.0019","15.739","0.002","16.743","0.003","62.772","0.002","69.902","0.002","89.159","0.003","2679","0.7","203","2","203","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H66 B10 Cl2 F3 Ir3 N2 O7 S -","- C39 H60 B10 Cl2 Ir3 N2 O -","- C78 H120 B20 Cl4 Ir6 N4 O2 -","2","1","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.0557","0.0406","","","0.1228","0.137","","","","","","1.048","","","","has coordinates","212262","2020-10-21","18:00:00",""
"7122675","20.615","0.013","10.897","0.007","13.916","0.009","90","","90.229","0.012","90","","3126","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C72 H144 B80 N16 O8 -","8","1","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.1243","0.0621","","","0.1576","0.1857","","","","","","1.024","","","","has coordinates","212263","2020-10-21","18:00:00",""
"7122676","8.7748","0.0016","12.003","0.002","25.147","0.005","82.735","0.003","83.775","0.003","86.97","0.003","2609.8","0.8","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H32 B10 Cl Ir N2 O -","- C19 H32 B10 Cl Ir N2 O -","- C76 H128 B40 Cl4 Ir4 N8 O4 -","4","2","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.083","0.0493","","","0.124","0.1418","","","","","","0.988","","","","has coordinates","212264","2020-10-21","18:00:00",""
"7122677","13.987","0.003","16.285","0.003","20.997","0.005","90","","106.606","0.004","90","","4583.2","1.7","203","2","203","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 B10 Cl F3 Ir2 N4 O5 S -","- C37 H52 B10 Cl F3 Ir2 N4 O5 S -","- C148 H208 B40 Cl4 F12 Ir8 N16 O20 S4 -","4","1","","Jin, Guo-Xin; Gao, Yang; Guo, Shu-Ting; Cui, Peng-Fei; Pemán, Francisco Aznárez","Iridium-Induced Regioselective B-H and C-H Activations at Azo-Substituted m-Carboranes: Facile Access to Polynuclear Complexes","Chemical Communications","2018","","","","","10.1039/C8CC09084J","","","0.71073","MoKα","","0.0857","0.0443","","","0.0895","0.1045","","","","","","0.978","","","","has coordinates,has disorder","212265","2020-10-21","18:00:00",""
"7122678","9.5727","0.0001","15.8631","0.0002","17.8255","0.0002","90","","90","","90","","2706.85","0.05","100","0.3","100","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N4 O2 -","- C32 H32 N4 O2 -","- C128 H128 N16 O8 -","4","1","","Qurban, Saira; Du, Yu; Gong, Jun; Lin, Shao-Xia; Kang, Qiang","Enantioselective Synthesis of Tetrahydroisoquinoline Derivatives via Chiral-at-Metal Rhodium Complex Catalyzed [3+2] Cycloaddition","Chemical Communications","2018","","","","","10.1039/C8CC08275H","","","1.54184","CuKα","","0.0301","0.0284","","","0.0712","0.0726","","","","","","1.043","","","","has coordinates","212282","2020-10-21","18:00:00",""
"7122679","18.795","0.0019","18.795","0.0019","12.808","0.003","90","","90","","90","","4524.5","1.2","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C6 H8 N9 O14 V0.25 W3 Zn3 -","- C6 H8 N9 O14 V0.25 W3 Zn3 -","- C48 H64 N72 O112 V2 W24 Zn24 -","8","0.5","","Yang, Xiya; Zhu, Pei-Pei; Ren, Jing; Chen, Yu-Hao; Li, Xiao; Sha, Jing-Quan; Jiang, Jianzhuang","Surfactant-assisted Synthesis and Electrochemical Properties of Unprecedented Polyoxometalate-constituting Metal-Organic Nanocaged Framework","Chemical Communications","2018","","","","","10.1039/C8CC08559E","","","0.71073","MoKα","","0.0649","0.0583","","","0.1661","0.1707","","","","","","1.047","","","","has coordinates","212283","2020-10-21","18:00:00",""
"7122680","7.6129","0.0009","9.9821","0.0011","17.5064","0.0019","90","","90","","90","","1330.4","0.3","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C4 N6 Zn -","- C4 N6 Zn -","- C32 N48 Zn8 -","8","1","","Yang, Xiya; Zhu, Pei-Pei; Ren, Jing; Chen, Yu-Hao; Li, Xiao; Sha, Jing-Quan; Jiang, Jianzhuang","Surfactant-assisted Synthesis and Electrochemical Properties of Unprecedented Polyoxometalate-constituting Metal-Organic Nanocaged Framework","Chemical Communications","2018","","","","","10.1039/C8CC08559E","","","0.71073","MoKα","","0.065","0.057","","","0.1604","0.1681","","","","","","1.061","","","","has coordinates","212283","2020-10-21","18:00:00",""
"7122681","18.3008","0.0005","18.3008","0.0005","15.285","0.0006","90","","90","","120","","4433.4","0.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H18 Co N6 S2 -","- C30 H18 Co N6 S2 -","- C90 H54 Co3 N18 S6 -","3","0.5","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications","Chemical Communications","2018","","","","","10.1039/C8CC08877B","","","0.71073","MoKα","","0.0696","0.044","","","0.078","0.0828","","","","","","1.117","","","","has coordinates","212355","2020-10-21","18:00:00",""
"7122682","18.3693","0.0008","18.3693","0.0008","15.2441","0.0006","90","","90","","120","","4454.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H18 Fe N6 S2 -","- C30 H18 Fe N6 S2 -","- C90 H54 Fe3 N18 S6 -","3","0.5","","Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: from a rigid achiral organic tecton to 3D chiral Co and Fe coordination networks” that I propose for publication in Chemical Communications","Chemical Communications","2018","","","","","10.1039/C8CC08877B","","","0.71073","MoKα","","0.0882","0.0399","","","0.0645","0.0717","","","","","","1.018","","","","has coordinates","212355","2020-10-21","18:00:00",""
"7122683","27.9956","0.0005","14.8843","0.0002","18.7743","0.0002","90","","107.158","0.0017","90","","7475","0.2","123","0.1","123","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C77.5 H74.5 Cd2 N8.5 O20.5 -","- C77.5 H74.5 Cd2 N8.5 O20.5 -","- C310 H298 Cd8 N34 O82 -","4","1","","Boer, Stephanie A.; Cox, Rosalind P.; Beards, Michael; Wang, Huixin; Donald, William; Bell, Toby D. M.; Turner, David Roger","Elucidation of naphthalene diimide metallomacrocycles and catenanes by solvent dependent excimer and exciplex emission","Chemical Communications","2018","","","","","10.1039/C8CC09191A","","x-ray","1.54184","CuKα","","0.0586","0.0514","","","0.138","0.1441","","","","","","0.905","","","","has coordinates,has disorder","212356","2020-10-21","18:00:00",""
"7122684","17.463","0.004","30.555","0.006","30.775","0.006","90","","90","","90","","16421","6","100","","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C72 H68 Cd2 N8 O18 -","- C72 H68 Cd2 N8 O18 -","- C576 H544 Cd16 N64 O144 -","8","1","","Boer, Stephanie A.; Cox, Rosalind P.; Beards, Michael; Wang, Huixin; Donald, William; Bell, Toby D. M.; Turner, David Roger","Elucidation of naphthalene diimide metallomacrocycles and catenanes by solvent dependent excimer and exciplex emission","Chemical Communications","2018","","","","","10.1039/C8CC09191A","","x-ray","0.7108","Synchrotron","","0.1119","0.0865","","","0.2371","0.2682","","","","","","1.03","","","","has coordinates","212356","2020-10-21","18:00:00",""
"7122685","21.323","0.002","4.9429","0.0007","15.81","0.002","90","","95.652","0.008","90","","1658.2","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C88 H72 N8 O12 -","4","0.5","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","0.78228","Synchrotron","","0.0463","0.0378","","","0.103","0.1122","","","","","","1.119","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122686","14.99","0.006","24.357","0.009","5.395","0.002","90","","90","","90","","1969.8","1.3","93","2","93","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0339","0.0333","","","0.0833","0.0843","","","","","","1.039","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122687","13.7878","0.0012","16.2197","0.0008","19.92","0.002","72.109","0.015","85.164","0.015","66.73","0.015","3891","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H76 Cl0 N12 -","- C98 H76 N12 -","- C196 H152 N24 -","2","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0642","0.0422","","","0.1015","0.1125","","","","","","1.011","","","","has coordinates,has disorder","212357","2020-10-21","18:00:00",""
"7122688","22.064","0.003","8.4746","0.0009","21.388","0.003","90","","90","","90","","3999.2","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C44.46 H55.93 Cl0.93 N5 -","- C44.463 H55.926 Cl0.926 N5 -","- C177.852 H223.704 Cl3.704 N20 -","4","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","0.7007","Synchrotron","","0.189","0.0607","","","0.114","0.1431","","","","","","0.812","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122689","23.909","0.011","11.079","0.005","7.591","0.004","90","","90","","90","","2010.8","1.7","93","2","93","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C112 H80 N16 -","8","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0423","0.0406","","","0.1121","0.115","","","","","","1.022","","","","has coordinates","212357","2020-10-21","18:00:00",""
"7122690","13.613","0.005","16.033","0.008","19.015","0.007","107.164","0.013","91.906","0.006","110.482","0.011","3671","3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C85.97 H62.41 Cl4.45 N12 -","- C85.94 H62.357 Cl4.444 N12 -","- C171.88 H124.714 Cl8.888 N24 -","2","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","1.54187","CuKα","","0.0961","0.0891","","","0.2653","0.2724","","","","","","1.026","","","","has coordinates,has disorder","212357","2020-10-21","18:00:00",""
"7122691","10.3008","0.0004","16.7186","0.0006","17.2236","0.0007","90","","101.837","0.003","90","","2903.1","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C144 H144 N16 O8 -","4","1","","Yamakado, Ryohei; Ishibashi, Haruna; Motoyoshi, Yukari; Yasuda, Nobuhiro; Maeda, Hiromitsu","Ion-pairing assemblies based on π-extended dipyrrolylquinoxalines","Chemical Communications","2018","","","","","10.1039/C8CC08205G","","","0.78192","Synchrotron","","0.14","0.0841","","","0.2127","0.2823","","","","","","1.1","","","","has coordinates,has disorder","212357","2020-10-21","18:00:00",""
"7122692","11.9182","0.0009","12.8979","0.0008","23.018","0.0013","84.931","0.005","84.247","0.006","75.288","0.006","3397.8","0.4","292.9","0.9","292.9","0.9","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 N6 O12 S2 -","- C64 H64 N6 O12 S2 -","- C128 H128 N12 O24 S4 -","2","1","","Tyuleva, Stilyana N.; Allen, Nyasha; White, Lisa J.; Pépés, Antigoni; Shepherd, Helena J.; Saines, Paul J.; Ellaby, Rebecca J.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","A symbiotic supramolecular approach to the design of novel amphiphiles with antibacterial properties against MSRA","Chemical Communications","2018","","","","","10.1039/C8CC08485H","","x-ray","1.54184","CuKα","","0.2031","0.1495","","","0.4104","0.469","","","","","","1.4","","","","has coordinates,has disorder","212358","2020-10-21","18:00:00",""
"7122693","11.4872","0.001","12.4679","0.0009","25.0105","0.0013","95.236","0.005","90.694","0.006","105.37","0.007","3437.1","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C65.99 H105.09 N6 O13.31 S3 -","- C65.998 H105.094 N6 O13.305 S2.999 -","- C131.996 H210.188 N12 O26.61 S5.998 -","2","1","","Tyuleva, Stilyana N.; Allen, Nyasha; White, Lisa J.; Pépés, Antigoni; Shepherd, Helena J.; Saines, Paul J.; Ellaby, Rebecca J.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","A symbiotic supramolecular approach to the design of novel amphiphiles with antibacterial properties against MSRA","Chemical Communications","2018","","","","","10.1039/C8CC08485H","","x-ray","1.54184","CuKα","","0.1123","0.0981","","","0.261","0.2846","","","","","","1.029","","","","has coordinates,has disorder","212358","2020-10-21","18:00:00",""
"7122694","9.4955","0.0004","11.2983","0.0005","11.3062","0.0005","75.516","0.004","69.837","0.004","89.852","0.003","1097.76","0.09","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C24 H23 Cl2 N O4 -","- C24 H23 Cl2 N O4 -","- C48 H46 Cl4 N2 O8 -","2","2","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","x-ray","1.54184","CuKα","","0.0574","0.0547","","","0.136","0.1402","","","","","","1.06","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122695","8.2742","0.0016","10.476","0.002","18.592","0.004","90","","90","","90","","1611.6","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.0247","0.0244","","","0.0653","0.0656","","","","","","0.714","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122696","6.8827","0.0001","7.7881","0.0001","36.94","0.0005","90","","90","","90","","1980.1","0.05","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 F3 N O5 -","- C23 H18 F3 N O5 -","- C92 H72 F12 N4 O20 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.024","0.0237","","","0.0597","0.0599","","","","","","1.049","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122697","20.6886","0.0006","21.2747","0.0005","21.4491","0.0007","90","","90","","90","","9440.7","0.5","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H99 B N8 O2 -","- C76 H99 B N8 O2 -","- C304 H396 B4 N32 O8 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.1186","0.095","","","0.2222","0.2388","","","","","","0.954","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122698","9.5768","0.0017","13.256","0.002","23.625","0.004","90","","90","","90","","2999.2","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","hexanitrohexaazaisowurtzitane and nitrous oxide","HNIW-N2O","","- C12 H12 N26 O25 -","- C12 H12 N26 O25 -","- C48 H48 N104 O100 -","4","0.5","","Xu, Jinjiang; Zheng, Shensheng; Huang, Shiliang; Tian, Yong; Liu, Yu; Zhang, Haobin; Sun, Jie","Host-guest energetic materials constructed by incorporating oxidizing gas molecule into organic lattice cavity toward high-energetic and low-sensitive performance","Chemical Communications","2018","","","","","10.1039/C8CC07347C","","","0.71073","MoKα","","0.0984","0.0556","","","0.1604","0.1937","","","","","","1.013","","","","has coordinates","212384","2020-10-21","18:00:00",""
"7122699","9.6731","0.001","13.2031","0.0012","23.553","0.002","90","","90","","90","","3008.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HNIW-CO2","","- C6.5 H6 N12 O13 -","- C6.5 H6 N12 O13 -","- C52 H48 N96 O104 -","8","1","","Xu, Jinjiang; Zheng, Shensheng; Huang, Shiliang; Tian, Yong; Liu, Yu; Zhang, Haobin; Sun, Jie","Host-guest energetic materials constructed by incorporating oxidizing gas molecule into organic lattice cavity toward high-energetic and low-sensitive performance","Chemical Communications","2018","","","","","10.1039/C8CC07347C","","","0.71073","MoKα","","0.0417","0.0367","","","0.091","0.0947","","","","","","1.036","","","","has coordinates","212384","2020-10-21","18:00:00",""
"7122700","16.2901","0.0009","15.1083","0.0008","21.8016","0.0012","90","","90","","90","","5365.7","0.5","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C62 H78 Sn -","- C62 H78 Sn -","- C248 H312 Sn4 -","4","1","","Lai, Ting Yi; Guo, Jing Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Facile Insertion of Ethylene into a Group 14 Element-Carbon Bond: Effects of the HOMO-LUMO Energy Gap on Reactivity","Chemical Communications","2018","","","","","10.1039/C8CC08488B","","","0.71073","MoKα","","0.0458","0.0419","","","0.0928","0.0942","","","","","","1.122","","","","has coordinates,has disorder","212386","2020-10-21","18:00:00",""
"7122701","15.3139","0.001","12.2886","0.0008","20.479","0.0014","90","","92.374","0.003","90","","3850.6","0.4","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C84 H126 Sn -","- C84 H126 Sn -","- C168 H252 Sn2 -","2","0.5","","Lai, Ting Yi; Guo, Jing Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Facile Insertion of Ethylene into a Group 14 Element-Carbon Bond: Effects of the HOMO-LUMO Energy Gap on Reactivity","Chemical Communications","2018","","","","","10.1039/C8CC08488B","","","0.71073","MoKα","","0.037","0.0326","","","0.0799","0.0824","","","","","","1.034","","","","has coordinates,has disorder","212386","2020-10-21","18:00:00",""
"7122702","15.211","0.011","9.492","0.008","22.154","0.015","90","","106.112","0.011","90","","3073","4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H37 N O -","- C38 H37 N O -","- C152 H148 N4 O4 -","4","1","","Breit, Bernhard; Zheng, Jun; Hosseini, Fereshteh; Dong, Ya-Xi","Palladium-Catalyzed Trisallylation of Azoles with Alkyne via sequential C(sp2)-H and C(sp3)-H Functionalization","Chemical Communications","2018","","","","","10.1039/C8CC09165J","","x-ray","0.71073","MoKα","","0.0762","0.052","","","0.1223","0.1342","","","","","","1.017","","","","has coordinates,has disorder","212415","2020-10-21","18:00:00",""
"7122704","11.403","0.0005","7.0095","0.0003","12.9123","0.0006","90","","91.0273","0.0013","90","","1031.91","0.08","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O S -","- C24 H22 N2 O S -","- C48 H44 N4 O2 S2 -","2","1","","Han, Jianwei; Zhang, Yanxia; Wu, Xin-Yan; Wong, Henry N. C.","Chiral Iminophosphorane Catalyzed Asymmetric Sulfenylation of 4-Substituted Pyrazolones","Chemical Communications","2018","","","","","10.1039/C8CC09049A","","","0.71073","MoKα","","0.0355","0.0307","","","0.0882","0.0945","","","","","","1.021","","","","has coordinates","212417","2020-10-21","18:00:00",""
"7122705","10.2478","0.0002","8.1523","0.0002","28.2987","0.0006","90","","93.481","0.001","90","","2359.8","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H24 N2 O2 S -","- C29 H24 N2 O2 S -","- C116 H96 N8 O8 S4 -","4","2","","Han, Jianwei; Zhang, Yanxia; Wu, Xin-Yan; Wong, Henry N. C.","Chiral Iminophosphorane Catalyzed Asymmetric Sulfenylation of 4-Substituted Pyrazolones","Chemical Communications","2018","","","","","10.1039/C8CC09049A","","","0.71073","MoKα","","0.0415","0.037","","","0.0945","0.0986","","","","","","1.037","","","","has coordinates","212417","2020-10-21","18:00:00",""
"7122706","10.1338","0.0007","28.115","0.002","12.8255","0.0009","90","","105.558","0.007","90","","3520.2","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl Co N4 O7 -","- C38 H41 Cl Co N4 O7 -","- C152 H164 Cl4 Co4 N16 O28 -","4","1","","Ogawa, Ayumu; Oohora, Koji; Gu, Wenting; Hayashi, Takashi","Electrochemical CO2 reduction by a cobalt bipyricorrole complex: Decrease of an overpotential value derived from monoanionic ligand character of the porphyrinoid species","Chemical Communications","2018","","","","","10.1039/C8CC08876D","","x-ray","1.54184","CuKα","","0.1499","0.0935","","","0.2544","0.3097","","","","","","1.0219","","","","has coordinates,has disorder","212479","2020-10-21","18:00:00",""
"7122713","8.6044","0.0017","8.9346","0.0018","14.961","0.003","74.36","0.03","88.4","0.03","87.83","0.03","1106.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C52 H54 N2 O6 -","2","1","","Li, Ruirui; Ju, Cheng-Wei; Zhao, Dongbing","Rhodium(III) vs. Cobalt(III): Mechanistically Distinct Three-Component C‒H Bond Addition Cascade using Cp*RhIII Catalyst","Chemical Communications","2018","","","","","10.1039/C8CC08792J","","","0.71073","MoKα","","0.0751","0.0486","","","0.1104","0.1237","","","","","","0.965","","","","has coordinates","212491","2020-10-21","18:00:00",""
"7122714","11.119","0.002","17.001","0.003","12.332","0.003","90","","104.44","0.03","90","","2257.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C104 H108 N4 O16 -","4","1","","Li, Ruirui; Ju, Cheng-Wei; Zhao, Dongbing","Rhodium(III) vs. Cobalt(III): Mechanistically Distinct Three-Component C‒H Bond Addition Cascade using Cp*RhIII Catalyst","Chemical Communications","2018","","","","","10.1039/C8CC08792J","","","0.71073","MoKα","","0.0728","0.0554","","","0.1503","0.1628","","","","","","1.076","","","","has coordinates","212491","2020-10-21","18:00:00",""
"7122715","12.586","","12.961","","19.645","","90","","108.55","","90","","3038.14","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","GdDO3A-ortho-hydroxyacetophenone","1-(2-(2-hydroxyphenyl)-2-oxoethyl)- 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate gadolinium(III)","","- C22 H31 Gd N4 O15 -","- C22 H30 Gd N4 O15 -","- C88 H120 Gd4 N16 O60 -","4","1","","Leone, Loredana; Esteban-Gómez, David; Platas-Iglesias, Carlos; Milanesio, Marco; Tei, Lorenzo","Accelerating Water Exchange in GdIII-DO3A-Derivatives by Favouring the Dissociative Mechanism through Hydrogen Bonding","Chemical Communications","2018","","","","","10.1039/C8CC08556K","","","0.7107","MoKα","","0.2324","0.1484","","","0.3348","0.374","","","","","","1.19","","","","has coordinates,has disorder","212506","2020-10-21","18:00:00",""
"7122716","11.0671","0.0002","11.0671","0.0002","11.8214","0.0002","90","","90","","120","","1253.91","0.04","120","0.1","120","0.1","","","","","","","","5","P 32","P 32","145","","","","- C18 H15 Cl N2 O5 -","- C18 H15 Cl N2 O5 -","- C54 H45 Cl3 N6 O15 -","3","1","","Liang, Lei; Niu, Hongying; Wang, Dong-Chao; Yang, Xinhe; Qu, Gui-Rong; Guo, Hai-Ming","Facile Synthesis of Chiral [2,3]-Fused Hydrobenzofuran via Asymmetric Cu(I)-Catalyzed Dearomative 1,3-Dipolar Cycloaddition","Chemical Communications","2018","","","","","10.1039/C8CC09226E","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.0784","0.0785","","","","","","1.033","","","","has coordinates","212507","2020-10-21","18:00:00",""
"7122717","13.296","0.003","5.8346","0.001","21.585","0.004","90","","103.096","0.007","90","","1630.9","0.6","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tert-butyl 5-butyl-3-oxo-4-(trifluoro-l4-boraneyl)-3,6-dihydropyridine-1(2H)-carboxylate, potassium salt","","- C13 H18 B F3 K N O3 -","- C13 H18 B F3 K N O3 -","- C52 H72 B4 F12 K4 N4 O12 -","4","1","","Elwrfalli, Fathi; Esvan, Yannick J.; Robertson, Craig M.; Aissa, Christophe","Regioselective Cycloaddition of Potassium Alkynyltrifluoroborates with 3-Azetidinones and 3-Oxetanone by Nickel-Catalysed C‒C Bond Activation","Chemical Communications","2018","","","","","10.1039/C8CC09241A","","","0.71073","MoKα","","0.0808","0.046","","","0.1234","0.1513","","","","","","1.054","","","","has coordinates","212508","2020-10-21","18:00:00",""
"7122719","38.293","0.006","9.5059","0.0014","34.347","0.006","90","","117.823","0.002","90","","11057","3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H69 N7 O8 Pd2 -","- C46 H66 N6 O8 Pd2 -","- C368 H528 N48 O64 Pd16 -","8","1","","García-Simón, Cristina; Monferrer, Alba; Garcia-Borràs, Marc; Imaz, Inhar; Maspoch, Daniel; Costas, Miquel; Ribas, Xavi","Size-selective encapsulation of C60 and C60-derivatives within an adaptable naphthalene-based tetragonal prismatic supramolecular nanocapsule","Chemical Communications","2018","","","","","10.1039/C8CC07886F","","","0.71073","MoKα","","0.211","0.0929","","","0.2415","0.3075","","","","","","0.967","","","","has coordinates","212555","2020-10-21","18:00:00",""
"7122720","26.4","0.006","27.47","0.006","27.69","0.006","90","","90","","90","","20081","8","100","2","100","2","","","","","","","","6","P m c b","-P 2bc 2","55","","","","- C248 H264 N32 O16 Pd8 Zn2 -","- C248 H264 N32 O16 Pd8 Zn2 -","- C496 H528 N64 O32 Pd16 Zn4 -","2","0.25","","García-Simón, Cristina; Monferrer, Alba; Garcia-Borràs, Marc; Imaz, Inhar; Maspoch, Daniel; Costas, Miquel; Ribas, Xavi","Size-selective encapsulation of C60 and C60-derivatives within an adaptable naphthalene-based tetragonal prismatic supramolecular nanocapsule","Chemical Communications","2018","","","","","10.1039/C8CC07886F","","","0.69873","synchrotronradiation","","0.1912","0.1135","","","0.3016","0.3367","","","","","","0.86","","","","has coordinates","212555","2020-10-21","18:00:00",""
"7122721","17.7612","0.0015","25.045","0.002","26.647","0.002","90","","104.528","0.002","90","","11474.4","1.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C116.75 H94.75 B2 Cl11.25 F8 N11 O5 Pd -","- C116.75 H94.75 B2 Cl11.25 F8 N11 O5 Pd -","- C467 H379 B8 Cl45 F32 N44 O20 Pd4 -","4","1","","Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo","A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites","Chemical Communications","2018","","","","","10.1039/C8CC09195A","","","0.71073","MoKα","","0.1862","0.0938","","","0.2121","0.2467","","","","","","1.225","","","","has coordinates,has disorder","212556","2020-10-21","18:00:00",""
"7122722","14.3104","0.0003","18.5908","0.0005","23.172","0.0005","108.741","0.002","98.8957","0.0018","102.553","0.002","5527.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C117.75 H99.5 B2 Cl6.75 F8 N13.75 O4 Pd -","- C117.75 H99.5 B2 Cl6.75 F8 N13.75 O4 Pd -","- C235.5 H199 B4 Cl13.5 F16 N27.5 O8 Pd2 -","2","1","","Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo","A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites","Chemical Communications","2018","","","","","10.1039/C8CC09195A","","","0.7107","MoKα","","0.0747","0.0514","","","0.1339","0.1454","","","","","","1.039","","","","has coordinates,has disorder","212556","2020-10-21","18:00:00",""
"7122723","11.0253","0.0008","21.3623","0.001","23.5096","0.0011","70.091","0.005","88.731","0.006","80.434","0.006","5130.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C119 H95.5 B2.01 Cl3 F8.04 N12 O6.25 Pd -","- C119 H95.5 B2.01 Cl3 F8.04 N12 O6.25 Pd -","- C238 H191 B4.02 Cl6 F16.08 N24 O12.5 Pd2 -","2","1","","Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo","A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites","Chemical Communications","2018","","","","","10.1039/C8CC09195A","","","0.7107","MoKα","","0.1347","0.0757","","","0.1955","0.2175","","","","","","1.243","","","","has coordinates,has disorder","212556","2020-10-21","18:00:00",""
"7122724","11.0207","0.0005","17.8935","0.0008","22.7191","0.0014","86.923","0.004","86.608","0.004","89.933","0.004","4465.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C111.8 H91.8 Cl0.4 N11.8 O4 -","- C111.8 H91.8 Cl0.4 N11.8 O4 -","- C223.6 H183.6 Cl0.8 N23.6 O8 -","2","1","","Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo","A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites","Chemical Communications","2018","","","","","10.1039/C8CC09195A","","","0.7107","MoKα","","0.1927","0.1621","","","0.3935","0.4017","","","","","","2.539","","","","has coordinates,has disorder","212556","2020-10-21","18:00:00",""
"7122725","5.4153","0.0002","16.4548","0.0004","9.6656","0.0003","90","","104.99","0.003","90","","831.97","0.05","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C36 H52 O8 -","2","0.5","","León, Félix; Francos, Javier; Lopez-Serrano, Joaquin; García-Garrido, Sergio E; Cadierno, Victorio; Pizzano, Antonio","Double asymmetric hydrogenation of conjugated dienes: a self-breeding chirality route for C2 symmetric 1,4-diols","Chemical Communications","2018","","","","","10.1039/C8CC09391A","","","1.5418","CuKα","","0.0465","0.0388","","","0.1003","0.108","","","","","","1.041","","","","has coordinates","212557","2020-10-21","18:00:00",""
"7122726","4.6984","0.0003","4.9701","0.0003","15.6294","0.001","83.332","0.002","83.799","0.002","68.098","0.002","335.51","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H5 O6 P2 Sb -","- C2 H5 O6 P2 Sb -","- C4 H10 O12 P4 Sb2 -","2","1","","Yin, Jinlin; Zhang, Guiyang; Peng, Chengdong; Fei, Honghan","An Ultrastable Metal-Organic Material Emits Effcient and Broadband Bluish White-Light Emission for Luminescent Thermometer","Chemical Communications","2018","","","","","10.1039/C8CC08726A","","","0.71073","MoKα","","0.0457","0.0383","","","0.0717","0.0747","","","","","","1.156","","","","has coordinates","212587","2020-10-21","18:00:00",""
"7122727","6.706","0.0012","10.283","0.0019","10.2838","0.0014","90.954","0.013","90.958","0.013","105.754","0.016","682.2","0.2","290.38","0.1","290.38","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 B9 N O -","- C9 H16 B9 N O -","- C18 H32 B18 N2 O2 -","2","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","x-ray","0.71073","MoKα","","0.0863","0.0602","","","0.146","0.1676","","","","","","1.062","","","","has coordinates","212588","2020-10-21","18:00:00",""
"7122728","9.9229","0.0008","13.5206","0.0009","14.4241","0.0011","108.368","0.007","92.326","0.006","94.863","0.006","1825.3","0.2","292.78","0.1","292.78","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 B18 Cs2 N2 O2 -","- C22 H40 B18 Cs2 N2 O2 -","- C44 H80 B36 Cs4 N4 O4 -","2","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","x-ray","0.71073","MoKα","","0.0509","0.036","","","0.0674","0.0751","","","","","","1.033","","","","has coordinates,has disorder","212589","2020-10-21","18:00:00",""
"7122729","8.5268","0.0004","19.8789","0.0007","12.2372","0.0007","90","","110.129","0.006","90","","1947.55","0.18","294.13","0.17","294.13","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 B9 N O -","- C17 H22 B9 N O -","- C68 H88 B36 N4 O4 -","4","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","","0.71073","MoKα","","0.0898","0.0608","","","0.1551","0.1738","","","","","","1.124","","","","has coordinates","212590","2020-10-21","18:00:00",""
"7122730","19.049","0.0013","10.6495","0.0007","16.038","0.0009","90","","92.738","0.006","90","","3249.8","0.4","295.62","0.1","295.62","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11 H20 B9 N O -","- C11 H20 B9 N O -","- C88 H160 B72 N8 O8 -","8","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","","0.71073","MoKα","","0.0978","0.067","","","0.1549","0.1767","","","","","","1.07","","","","has coordinates","212591","2020-10-21","18:00:00",""
"7122731","8.9207","0.0005","22.1541","0.0009","10.6586","0.0007","90","","113.804","0.007","90","","1927.3","0.2","292.55","0.13","292.55","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 B9 N O -","- C17 H22 B9 N O -","- C68 H88 B36 N4 O4 -","4","1","","Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao","A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes","Chemical Communications","2018","","","","","10.1039/C8CC07728B","","x-ray","0.71073","MoKα","","0.1035","0.062","","","0.1271","0.1553","","","","","","1.026","","","","has coordinates","212592","2020-10-21","18:00:00",""
"7122732","12.883","0.002","10.655","0.002","13.918","0.003","90","","93.427","0.003","90","","1907.1","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C108 H72 O8 -","4","1","","Liu, Bang; Cheng, Jiang; Li, Yang; Li, Jin-Heng","Oxidative Tandem Annulation of 1-(2-Ethynylaryl)prop-2-en-1-ones Catalyzed by Cooperative Iodine and TBHP","Chemical Communications","2018","","","","","10.1039/C8CC09271K","","","0.71073","MoKα","","0.0662","0.0421","","","0.1004","0.1122","","","","","","1.026","","","","has coordinates","212593","2020-10-21","18:00:00",""
"7122733","18.0955","0.0008","12.6286","0.0004","27.3459","0.001","90","","107.965","0.004","90","","5944.4","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C37 H30 N5 -","- C39 H29 N3 -","- C312 H232 N24 -","8","1","","Yu, Yue; Zhao, Ruiyang; Zhou, Changjiang; Sun, XIaoyi; Wang, Shizhao; Gao, Yu; Li, Weijun; Lu, Ping; Yang, Bing; Zhang, Cheng","Highly Efficient Luminescent Benzoylimino Derivative and Fluorescent Probe for Oxygen Sensor from a Photo-Chemical Reaction of Imidazole","Chemical Communications","2018","","","","","10.1039/C8CC08558G","","x-ray","1.54184","CuKα","","0.0682","0.0558","","","0.1497","0.1687","","","","","","0.913","","","","has coordinates","212594","2020-10-21","18:00:00",""
"7122734","8.2965","0.0009","13.0985","0.0017","14.7393","0.0014","98.478","0.009","94.853","0.008","106.655","0.01","1504.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H29 N3 O2 -","- C39 H29 N3 O2 -","- C78 H58 N6 O4 -","2","1","","Yu, Yue; Zhao, Ruiyang; Zhou, Changjiang; Sun, XIaoyi; Wang, Shizhao; Gao, Yu; Li, Weijun; Lu, Ping; Yang, Bing; Zhang, Cheng","Highly Efficient Luminescent Benzoylimino Derivative and Fluorescent Probe for Oxygen Sensor from a Photo-Chemical Reaction of Imidazole","Chemical Communications","2018","","","","","10.1039/C8CC08558G","","x-ray","1.54184","CuKα","","0.1097","0.0863","","","0.2375","0.2982","","","","","","1.079","","","","has coordinates","212594","2020-10-21","18:00:00",""
"7122735","7.954","0.0003","8.0616","0.0003","18.5002","0.0007","85.168","0.002","88.948","0.002","74.026","0.002","1136.4","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 F6 N P S -","- C25 H20 F6 N P S -","- C50 H40 F12 N2 P2 S2 -","2","1","","Dutta, Champak; Sainaba, Arppitha Baby; Choudhury, Joyanta","Annulating thiazolium cations via direct double C‒H activation strategy: Rh‒N,S-heterocyclic carbene is the key","Chemical Communications","2018","","","","","10.1039/C8CC07531J","","","0.71073","MoKα","","0.1013","0.0657","","","0.1779","0.2092","","","","","","1.039","","","","has coordinates","212595","2020-10-21","18:00:00",""
"7122736","15.436","0.0017","8.6838","0.0008","15.9215","0.0018","90","","99.948","0.005","90","","2102.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F6 N P S -","- C21 H20 F6 N P S -","- C84 H80 F24 N4 P4 S4 -","4","1","","Dutta, Champak; Sainaba, Arppitha Baby; Choudhury, Joyanta","Annulating thiazolium cations via direct double C‒H activation strategy: Rh‒N,S-heterocyclic carbene is the key","Chemical Communications","2018","","","","","10.1039/C8CC07531J","","","0.71073","MoKα","","0.2061","0.0992","","","0.221","0.2578","","","","","","1.277","","","","has coordinates","212595","2020-10-21","18:00:00",""
"7122737","8.4377","0.0003","14.4824","0.0006","17.1062","0.0007","97.32","0.002","101.123","0.001","95.393","0.001","2019.21","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H51 Cl2 N2 Rh2 S2 -","- C42 H51 Cl2 N2 Rh2 S2 -","- C84 H102 Cl4 N4 Rh4 S4 -","2","1","","Dutta, Champak; Sainaba, Arppitha Baby; Choudhury, Joyanta","Annulating thiazolium cations via direct double C‒H activation strategy: Rh‒N,S-heterocyclic carbene is the key","Chemical Communications","2018","","","","","10.1039/C8CC07531J","","","0.71073","MoKα","","0.0542","0.0335","","","0.0687","0.0755","","","","","","1.009","","","","has coordinates","212595","2020-10-21","18:00:00",""
"7122738","10.7758","0.0003","18.0546","0.0004","12.5689","0.0003","90","","103.254","0.002","90","","2380.18","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N P S -","- C26 H22 F6 N P S -","- C104 H88 F24 N4 P4 S4 -","4","1","","Dutta, Champak; Sainaba, Arppitha Baby; Choudhury, Joyanta","Annulating thiazolium cations via direct double C‒H activation strategy: Rh‒N,S-heterocyclic carbene is the key","Chemical Communications","2018","","","","","10.1039/C8CC07531J","","","0.71073","MoKα","","0.0799","0.062","","","0.1846","0.1956","","","","","","1.301","","","","has coordinates","212595","2020-10-21","18:00:00",""
"7122739","17.656","0.007","24.127","0.009","24.239","0.009","90","","90","","90","","10325","7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115.5 H110 Cl3 N7 O8 -","- C115.5 H107 Cl3 N7 O8 -","- C462 H428 Cl12 N28 O32 -","4","1","","Maeda, Chihiro; Ogawa, Kanae; Sadanaga, Kosuke; Takaishi, Kazuto; Ema, Tadashi","Chiroptical and catalytic properties of doubly binaphthyl-strapped chiral porphyrins","Chemical Communications","2018","","","","","10.1039/C8CC09114E","","","1.54187","CuKα","","0.165","0.097","","","0.2552","0.313","","","","","","1.077","","","","has coordinates,has disorder","212596","2020-10-21","18:00:00",""
"7122740","5.9659","0.001","8.1499","0.0009","20.8277","0.0019","81.489","0.009","88.641","0.012","79.847","0.012","985.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","5-PDA","","","- C48 H52 N2 O4 -","- C48 H52 N2 O4 -","- C48 H52 N2 O4 -","1","0.5","","Fu, Hongbing; Cai, Xin; Xu, Zhenzhen; Zheng, Xiaolin; Ran, Chenhui; Liu, Peng; He, Xianxiong; Jin, Xue; Liao, Qing","Stimuli-responsive and chemically tunable organic microcrystal laser switch","Chemical Communications","2018","","","","","10.1039/C8CC08298G","","x-ray","1.54184","CuKα","","0.1378","0.0923","","","0.2725","0.305","","","","","","1.051","","","","has coordinates","212597","2020-10-21","18:00:00",""
"7122741","13.5247","0.0004","7.64772","0.00017","17.748","0.0005","90","","97.938","0.007","90","","1818.14","0.09","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trialkyl diazido oxime","2-Azido-N-(6-azidohexyl)-N-(3-(2-(hydroxyimino)acetyl)phenyl)acetamide","","- C16 H20 N8 O3 -","- C16 H20 N8 O3 -","- C64 H80 N32 O12 -","4","1","","Yokoi, Taiki; Ueda, Tomomi; Tanimoto, Hiroki; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Site-Selective Conversion of Azido Groups at Carbonyl α-Positions into Oxime Groups Leading Triazide to Triple Click Conjugation Scaffold","Chemical Communications","2018","","","","","10.1039/C8CC09415B","","","0.71075","MoKα","","0.0454","0.0359","","","0.0783","0.0822","","","","","","1.046","","","","has coordinates","212598","2020-10-21","18:00:00",""
"7122743","11.2294","0.0007","25.0427","0.0015","22.9742","0.0016","90","","90","","90","","6460.7","0.7","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C144 H240 Cd12 Co12 I12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0378","0.0363","","","0.0807","0.0817","","","","","","1.06","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122744","11.2149","0.0007","25.0212","0.0015","22.9649","0.0016","90","","90","","90","","6444.2","0.7","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C36 H60 Cd3 Co3 I3 N6 O21 S6 -","- C144 H240 Cd12 Co12 I12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0317","0.031","","","0.0744","0.0749","","","","","","1.069","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122745","17.911","0.003","17.911","0.003","31.795","0.003","90","","90","","90","","10200","3","200","2","200","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C24 H71 Cd2 Cl2 Co2 N4 O23.5 S4 -","- C24 H40 Cd2 Cl2 Co2 N4 O23.5 S4 -","- C192 H320 Cd16 Cl16 Co16 N32 O188 S32 -","8","1","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0479","0.0449","","","0.1239","0.1261","","","","","","1.082","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122746","11.0674","0.0009","24.976","0.002","22.705","0.0018","90","","90","","90","","6276.1","0.9","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C144 H240 Br12 Cd12 Co12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0313","0.0289","","","0.0726","0.0737","","","","","","1.046","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122747","34.015","0.013","34.015","0.013","8.9339","0.0018","90","","90","","120","","8952","5","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H120 Br6 Cd6 Co6 N12 O42 S12 -","- C72 H120 Br6 Cd6 Co6 N12 O42 S12 -","- C216 H360 Br18 Cd18 Co18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0748","0.0575","","","0.1036","0.1089","","","","","","1.165","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122748","14.7082","0.0011","15.4846","0.0012","15.6106","0.0012","90","","99.087","0.007","90","","3510.7","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H80 Cd2 Co4 N8 O26 S8 -","- C48 H80 Cd2 Co4 N8 O26 S8 -","- C96 H160 Cd4 Co8 N16 O52 S16 -","2","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71069","MoKα","","0.0832","0.0588","","","0.1361","0.1498","","","","","","1.127","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122749","34.458","0.005","34.458","0.005","9.1227","0.0006","90","","90","","120","","9381","2","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H156 Cd6 Co6 I6 N12 O42 S12 -","- C72 H156 Cd6 Co6 I6 N12 O42 S12 -","- C216 H468 Cd18 Co18 I18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0236","0.0212","","","0.0476","0.0485","","","","","","1.14","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122750","11.0409","0.0017","24.93","0.004","22.688","0.004","90","","90","","90","","6244.9","1.8","200","2","200","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C36 H60 Br3 Cd3 Co3 N6 O21 S6 -","- C144 H240 Br12 Cd12 Co12 N24 O84 S24 -","4","0.5","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0828","0.0595","","","0.0945","0.1002","","","","","","1.054","","","","has coordinates,has disorder","212642","2020-10-21","18:00:00",""
"7122751","34.066","0.012","34.066","0.012","8.8283","0.0016","90","","90","","120","","8873","5","200","2","200","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C72 H156 Cd6 Cl6 Co6 N12 O42 S12 -","- C72 H120 Cd6 Cl6 Co6 N12 O42 S12 -","- C216 H360 Cd18 Cl18 Co18 N36 O126 S36 -","3","0.166667","","Hayashi, Daiki; Yoshinari, Nobuto; Konno, Takumi","Conversion of 12-Membered D3- and L3-CoIII3CdII3 Metallorings into a 24-Membered D3L3-CoIII6CdII6 Metalloring","Chemical Communications","2018","","","","","10.1039/C8CC09121H","","","0.71075","MoKα","","0.0534","0.0462","","","0.1113","0.1149","","","","","","1.12","","","","has coordinates","212642","2020-10-21","18:00:00",""
"7122752","22.242","0.004","10.3242","0.0019","14.505","0.003","90","","125.704","0.002","90","","2704.7","0.9","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Luo, Mu-Jia; Hu, Ming; Song, Ren-Jie; He, De-Liang; Li, Jin-Heng","Ruthenium(II)-Catalyzed Electrooxidative [4+2] Annulation of Benzylic Alcohols with Internal Alkynes: Entry to Isocoumarins","Chemical Communications","2018","","","","","10.1039/C8CC08759H","","","0.71073","MoKα","","0.0544","0.0419","","","0.1018","0.1144","","","","","","1.063","","","","has coordinates","212663","2020-10-21","18:00:00",""
"7122753","14.6082","0.0005","18.4684","0.0006","17.6685","0.0005","90","","112.388","0.0004","90","","4407.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H36 Cl Ir N2 Si -","- C19 H36 Cl Ir N2 Si -","- C152 H288 Cl8 Ir8 N16 Si8 -","8","2","","Komuro, Takashi; Osawa, Tomohiro; Suzuki, Ryuju; Mochizuki, Daiki; Higashi, Hironori; Tobita, Hiromi","Silyl‒pyridine‒amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C‒D bond activation of benzene-d6","Chemical Communications","2018","","","","","10.1039/C8CC09178A","","","0.71069","MoKα","","0.0433","0.0348","","","0.0703","0.0731","","","","","","1.127","","","","has coordinates","212694","2020-10-21","18:00:00",""
"7122754","12.3393","0.0012","12.1936","0.0005","19.8566","0.0007","90","","107.313","0.0011","90","","2852.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 Cl Ir N4 Si -","- C26 H46 Cl Ir N4 Si -","- C104 H184 Cl4 Ir4 N16 Si4 -","4","1","","Komuro, Takashi; Osawa, Tomohiro; Suzuki, Ryuju; Mochizuki, Daiki; Higashi, Hironori; Tobita, Hiromi","Silyl‒pyridine‒amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C‒D bond activation of benzene-d6","Chemical Communications","2018","","","","","10.1039/C8CC09178A","","","0.71069","MoKα","","0.0558","0.045","","","0.0779","0.0813","","","","","","1.141","","","","has coordinates","212694","2020-10-21","18:00:00",""
"7122755","14.4572","0.0004","10.2996","0.0003","25.5865","0.0009","90","","98.7314","0.0011","90","","3765.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H58 Cl Ir N4 Si -","- C36.5 H58 Cl Ir N4 Si -","- C146 H232 Cl4 Ir4 N16 Si4 -","4","1","","Komuro, Takashi; Osawa, Tomohiro; Suzuki, Ryuju; Mochizuki, Daiki; Higashi, Hironori; Tobita, Hiromi","Silyl‒pyridine‒amine pincer-ligated iridium complexes for catalytic silane deuteration via room temperature C‒D bond activation of benzene-d6","Chemical Communications","2018","","","","","10.1039/C8CC09178A","","","0.71069","MoKα","","0.0465","0.0404","","","0.0858","0.0877","","","","","","1.246","","","","has coordinates,has disorder","212694","2020-10-21","18:00:00",""
"7122756","8.5488","0.0005","9.3389","0.0006","12.6348","0.0006","110.339","0.005","97.169","0.004","98.871","0.005","917.02","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N6 O10 Pt2 -","- C38 H42 N6 O10 Pt2 -","- C38 H42 N6 O10 Pt2 -","1","1","","Dutta, Pradip; Sharma, Rupali; Kumari, Smita; Dubey, Ravindra Dhar; Sarkar, Sujit; Jhonpeter, Justin; vijaykumar, gonela; Pandey, Manoj; Sravanti, L.; Samarla, M.; Das, Hari Sankar; S, Yashpal; B, Heeralal; Goyal, Ravinder; Gupta, Nimish; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","A Safe and Efficacious Pt(II) Anticancer Prodrug: Design, Synthesis, In-vitro Efficacy, Role of Carrier Ligand and In-vivo Tumour Growth Inhibition","Chemical Communications","2018","","","","","10.1039/C8CC06586A","","x-ray","0.71073","MoKα","","0.0487","0.0456","","","0.1113","0.1164","","","","","","1.042","","","","has coordinates","212695","2020-10-21","18:00:00",""
"7122757","8.5924","0.0005","17.7287","0.0009","13.3203","0.0007","90","","107.246","0.007","90","","1937.9","0.2","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H48 N8 O8 Pt2 -","- C40 H48 N8 O8 Pt2 -","- C80 H96 N16 O16 Pt4 -","2","1","","Dutta, Pradip; Sharma, Rupali; Kumari, Smita; Dubey, Ravindra Dhar; Sarkar, Sujit; Jhonpeter, Justin; vijaykumar, gonela; Pandey, Manoj; Sravanti, L.; Samarla, M.; Das, Hari Sankar; S, Yashpal; B, Heeralal; Goyal, Ravinder; Gupta, Nimish; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","A Safe and Efficacious Pt(II) Anticancer Prodrug: Design, Synthesis, In-vitro Efficacy, Role of Carrier Ligand and In-vivo Tumour Growth Inhibition","Chemical Communications","2018","","","","","10.1039/C8CC06586A","","x-ray","1.54184","CuKα","","0.087","0.081","","","0.2074","0.2135","","","","","","1.044","","","","has coordinates","212695","2020-10-21","18:00:00",""
"7122758","7.8954","0.0008","22.637","0.002","11.695","0.0011","90","","90.952","0.007","90","","2089.9","0.3","123","","123","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H38 N4 O7 -","- C18 H38 N4 O7 -","- C72 H152 N16 O28 -","4","2","","Hanusch, Jan M.; Kerschgens, Isabel; Huber, Florian; Neuburger, Markus; Gademann, Karl","Pyrrolizidines for Direct Air Capture and CO2 Conversion","Chemical Communications","2018","","","","","10.1039/C8CC08574A","","","1.54178","CuKα","","0.0692","0.0453","","0.0773","0.0473","0.0519","","","","","","1.1157","","","","has coordinates","212735","2020-10-21","18:00:00",""
"7122759","7.0751","0.0005","16.644","0.0012","13.0818","0.0009","90","","105.578","0.002","90","","1483.9","0.18","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H28 N2 O6 -","- C11 H28 N2 O6 -","- C44 H112 N8 O24 -","4","1","","Hanusch, Jan M.; Kerschgens, Isabel; Huber, Florian; Neuburger, Markus; Gademann, Karl","Pyrrolizidines for Direct Air Capture and CO2 Conversion","Chemical Communications","2018","","","","","10.1039/C8CC08574A","","","1.54178","CuKα","","0.0322","0.0319","","0.036","0.0347","0.0346","","","","","","1.1204","","","","has coordinates","212735","2020-10-21","18:00:00",""
"7122760","54.053","0.004","54.053","0.004","54.053","0.004","90","","90","","90","","157928","2","173","2","173","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C594 H612 Cl16 Fe12 N108 O64 -","- C594 H612 Cl16 Fe12 N108 O64 -","- C4752 H4896 Cl128 Fe96 N864 O512 -","8","0.166667","","Zhang, Hai-Xia; Yan, Xiaodong; Chen, Yu-Xin; Zhang, Shu-Heng; Li, Tao; Han, Wang-Kang; Bao, Ling-Yu; Shen, Rui; Gu, Zhi-Guo","Zeolite supramolecular framework with LTA topology based on tetrahedral metal-organic cage","Chemical Communications","2018","","","","","10.1039/C8CC08965E","","","0.71073","MoKα","","0.2604","0.1504","","","0.3522","0.4014","","","","","","1.03","","","","has coordinates","212736","2020-10-21","18:00:00",""
"7122761","22.4271","0.0014","22.3391","0.0014","25.7151","0.0015","90","","114.014","0.002","90","","11768.2","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 N10 Na1.7 Ni5.3 O82 Sb2 W18 -","- C25 N10 Na1.7 Ni5.3 O82 Sb2 W18 -","- C100 N40 Na6.8 Ni21.2 O328 Sb8 W72 -","4","0.5","","Zhao, Hongxia; Tao, Li; Zhang, Fengmin; Zhang, Ying; Liu, Yanqing; Xu, Hongjie; Diao, Guowang; Ni, Lubin","Transition Metal Substituted Sandwich-Type Polyoxometalates with Strong Metal–C (imidazole) Bond as Anticancer Agents","Chemical Communications","2018","","","","","10.1039/C8CC07884J","","","0.71073","MoKα","","0.0705","0.0517","","","0.1123","0.1241","","","","","","1.065","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"7122762","22.354","0.004","22.392","0.005","25.922","0.005","90","","114.195","0.005","90","","11835","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 Co5.3 N10 Na0.7 O76 Sb2 W18 -","- C25 Co5.3 N10 Na0.7 O76 Sb2 W18 -","- C100 Co21.2 N40 Na2.8 O304 Sb8 W72 -","4","0.5","","Zhao, Hongxia; Tao, Li; Zhang, Fengmin; Zhang, Ying; Liu, Yanqing; Xu, Hongjie; Diao, Guowang; Ni, Lubin","Transition Metal Substituted Sandwich-Type Polyoxometalates with Strong Metal–C (imidazole) Bond as Anticancer Agents","Chemical Communications","2018","","","","","10.1039/C8CC07884J","","","0.71073","MoKα","","0.1377","0.0833","","","0.1886","0.2144","","","","","","1.028","","","","has coordinates,has disorder","287896","2023-11-30","16:33:03",""
"7122763","17.0712","0.0011","6.5675","0.0004","9.5925","0.0006","90","","90.974","0.002","90","","1075.31","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N O8 P Zn2 -","- C8 H6 N O8 P Zn2 -","- C32 H24 N4 O32 P4 Zn8 -","4","1","","Hung, Ling-I; Yi, Hsiang-Yi; Shih, Yu-Chieh; Lin, Chia-Her; Wang, Sue-Lein","Carboxylic Acid-Protruding Zincophosphate Sheets Exhibiting Surface Mechanochemical Reactivity and Intriguing Nano-Morphological Reversibility","Chemical Communications","2018","","","","","10.1039/C8CC09289C","","","0.71073","MoKα","","0.0354","0.0282","","","0.061","0.0632","","","","","","1.055","","","","has coordinates","212738","2020-10-21","18:00:00",""
"7122764","16.8677","0.0007","6.5703","0.0003","9.6035","0.0004","90","","90.205","0.002","90","","1064.31","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N O8 P Zn2 -","- C8 H6 N O8 P Zn2 -","- C32 H24 N4 O32 P4 Zn8 -","4","1","","Hung, Ling-I; Yi, Hsiang-Yi; Shih, Yu-Chieh; Lin, Chia-Her; Wang, Sue-Lein","Carboxylic Acid-Protruding Zincophosphate Sheets Exhibiting Surface Mechanochemical Reactivity and Intriguing Nano-Morphological Reversibility","Chemical Communications","2018","","","","","10.1039/C8CC09289C","","","0.71073","MoKα","","0.0272","0.0205","","","0.0457","0.0475","","","","","","1.051","","","","has coordinates","212738","2020-10-21","18:00:00",""
"7122765","16.7292","0.0012","6.5166","0.0005","9.6364","0.0006","90","","90.977","0.003","90","","1050.38","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7.35 H5 N O6.69 P Zn2 -","- C7.347 H5 N O6.694 P Zn2 -","- C29.388 H20 N4 O26.776 P4 Zn8 -","4","1","","Hung, Ling-I; Yi, Hsiang-Yi; Shih, Yu-Chieh; Lin, Chia-Her; Wang, Sue-Lein","Carboxylic Acid-Protruding Zincophosphate Sheets Exhibiting Surface Mechanochemical Reactivity and Intriguing Nano-Morphological Reversibility","Chemical Communications","2018","","","","","10.1039/C8CC09289C","","","0.71073","MoKα","","0.0552","0.0434","","","0.1081","0.115","","","","","","1.059","","","","has coordinates","212738","2020-10-21","18:00:00",""
"7122766","9.4277","0.0007","16.8208","0.0017","33.332","0.003","90","","95.868","0.003","90","","5258.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 B O2 -","- C18 H27 B O2 -","- C216 H324 B12 O24 -","12","3","","Mamidala, Ramesh; Pandey, Vipin Kumar; RIT, ARNAB","AgSbF6-Catalyzed anti-Markovnikov Hydroboration of Terminal Alkynes","Chemical Communications","2018","","","","","10.1039/C8CC07499B","","","0.71073","MoKα","","0.1746","0.1203","","","0.3141","0.3471","","","","","","1.064","","","","has coordinates","212739","2020-10-21","18:00:00",""
"7122791","16.768","0.009","7.666","0.004","10.656","0.006","90","","101.466","0.013","90","","1342.4","1.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.098","0.0634","","","0.1348","0.1477","","","","","","1.062","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122792","12.768","0.009","13.016","0.009","14.519","0.01","110.556","0.017","102.736","0.019","93.865","0.019","2176","3","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H12 I8 N6 Pt -","- C2 I8 N6 Pt -","- C8 I32 N24 Pt4 -","4","2","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1456","0.0817","","","0.1936","0.2316","","","","","","0.977","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122793","17.0199","0.0019","7.8309","0.0009","10.837","0.0015","90","","101.705","0.008","90","","1414.3","0.3","264","2","264","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 I9 N3 Pt -","- C6 H4 I9 N3 Pt -","- C12 H8 I18 N6 Pt2 -","2","0.25","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.1329","0.058","","","0.0791","0.085","","","","","","1.533","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122794","12.379","0.007","12.379","0.007","7.833","0.005","90","","90","","90","","1200.3","1.2","270","2","270","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H20 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0574","0.0337","","","0.0408","0.0441","","","","","","1.208","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7122795","12.3499","0.0019","12.3499","0.0019","7.7278","0.0013","90","","90","","90","","1178.6","0.3","100","2","100","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","","","- C2 H10 I10 N4 Pt -","- C2 H10 I10 N4 Pt -","- C4 H20 I20 N8 Pt2 -","2","0.125","","Evans, Hayden A.; Andrews, Jessica L.; Fabini, Douglas H.; Preefer, Molleigh B.; Wu, Guang; Cheetham, Anthony K.; Wudl, Fred; Seshadri, Ram","The capricious nature of iodine catenation in I<sub>2</sub> excess, perovskite-derived hybrid Pt(iv) compounds.","Chemical communications (Cambridge, England)","2018","55","5","588","","10.1039/c8cc07536k","","","0.71073","MoKα","","0.0258","0.0217","","","0.0412","0.0422","","","","","","1.047","","","","has coordinates","212905","2020-10-21","18:00:00",""
"7124471","9.5585","0.0004","11.0081","0.0005","16.9501","0.0008","84.171","0.004","85.069","0.004","70.438","0.004","1669.3","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Br2 N4 O4 -","- C36 H38 Br2 N4 O4 -","- C72 H76 Br4 N8 O8 -","2","1","","Wang, Hongyu; Man, Yunquan; Wang, Kaiye; Wan, Xiuyan; Tong, Lili; Li, Na; Tang, Bo","Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis.","Chemical communications (Cambridge, England)","2018","54","78","10989","10992","10.1039/c8cc06603e","","","1.54184","CuKα","","0.047","0.0409","","","0.1141","0.12","","","","","","1.058","","","","has coordinates","227737","2020-10-21","18:00:00",""
"7124472","20.751","0.003","14.369","0.003","5.958","0.002","90","","90","0.003","90","","1776.5","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H34 B2 N4 -","- C14 H34 B2 N4 -","- C56 H136 B8 N16 -","4","1","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.","Chemical communications (Cambridge, England)","2018","54","37","4700","4703","10.1039/c8cc02139b","","","0.71069","MoKα","","0.0481","0.0396","","","0.0926","0.0973","","","","","","1.055","","","","has coordinates","227738","2020-10-21","18:00:00",""
"7124473","11.49","0.002","12.061","0.003","12.206","0.003","89.223","0.003","86.315","0.003","81.499","0.003","1669.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H29 B N2 O2 -","- C16 H29 B N2 O2 -","- C64 H116 B4 N8 O8 -","4","2","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.","Chemical communications (Cambridge, England)","2018","54","37","4700","4703","10.1039/c8cc02139b","","","0.71069","MoKα","","0.0998","0.0541","","","0.1044","0.1208","","","","","","1.04","","","","has coordinates","227738","2020-10-21","18:00:00",""
"7124474","9.8852","0.0007","15.1771","0.0009","16.6307","0.0012","69.154","0.002","84.904","0.002","79.674","0.002","2293.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H44 B2 N2 -","- C23 H44 B2 N2 -","- C92 H176 B8 N8 -","4","2","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.","Chemical communications (Cambridge, England)","2018","54","37","4700","4703","10.1039/c8cc02139b","","","0.71069","MoKα","","0.1008","0.0654","","","0.1603","0.1855","","","","","","1.049","","","","has coordinates","227738","2020-10-21","18:00:00",""
"7124475","11.825","0.0005","18.6367","0.0008","19.5807","0.0007","90","","126.909","0.002","90","","3450.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 B N2 O -","- C16 H31 B N2 O -","- C128 H248 B8 N16 O8 -","8","2","","Ramos, Alberto; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Fernández-Galán, Rafael; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Carbodiimides as catalysts for the reduction of CO<sub>2</sub> with boranes.","Chemical communications (Cambridge, England)","2018","54","37","4700","4703","10.1039/c8cc02139b","","","0.71073","MoKα","","0.0669","0.0513","","","0.1353","0.1456","","","","","","1.057","","","","has coordinates","227738","2020-10-21","18:00:00",""
"7124476","10.6555","0.0004","12.0934","0.0004","21.6561","0.0007","84.805","0.003","77.532","0.003","67.728","0.003","2521.42","0.16","150","0.2","150","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C42.75 H56.5 B2 Cl1.5 Mo2 N12 O4 P -","- C42.75 H56.5 B2 Cl1.5 Mo2 N12 O4 P -","- C85.5 H113 B4 Cl3 Mo4 N24 O8 P2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","","0.71073","MoKα","","0.0501","0.0376","","","0.0826","0.0888","","","","","","1.04","","","","has coordinates","227740","2020-10-21","18:00:00",""
"7124477","11.4608","0.0003","19.9952","0.0006","21.5347","0.0006","90","","91.254","0.002","90","","4933.7","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 B2 Cl2 N12 O4 P W2 -","- C41 H55 B2 Cl2 N12 O4 P W2 -","- C164 H220 B8 Cl8 N48 O16 P4 W8 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","","1.54184","CuKα","","0.0559","0.0397","","","0.0937","0.1047","","","","","","1.018","","","","has coordinates,has disorder","227740","2020-10-21","18:00:00",""
"7124478","11.5185","0.0004","13.0665","0.0006","17.5152","0.0006","92.37","0.003","100.329","0.003","108.935","0.004","2439.02","0.18","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 As B2 Mo2 N12 O4 -","- C42 H49 As B2 Mo2 N12 O4 -","- C84 H98 As2 B4 Mo4 N24 O8 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","","1.54184","CuKα","","0.0568","0.0435","","","0.1079","0.117","","","","","","1.022","","","","has coordinates,has disorder","227740","2020-10-21","18:00:00",""
"7124479","11.5217","0.0002","13.0117","0.0002","17.5872","0.0003","92.152","0.001","100.361","0.002","109.048","0.002","2438.44","0.08","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C42 H49 As B2 N12 O4 W2 -","- C42 H49 As B2 N12 O4 W2 -","- C84 H98 As2 B4 N24 O8 W4 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","","1.54184","CuKα","","0.0436","0.0369","","","0.0889","0.0939","","","","","","1.035","","","","has coordinates,has disorder","227740","2020-10-21","18:00:00",""
"7124480","10.756","0.0003","29.5247","0.0008","32.3562","0.0008","68.469","0.002","86.621","0.002","85.103","0.002","9519.1","0.5","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H53 As B2 N12 O4 W2 -","- C40 H44 As B2 N12 O4 W2 -","- C320 H352 As8 B16 N96 O32 W16 -","8","4","","Frogley, Benjamin J.; Hill, Anthony F.","Bis(alkylidynyl)arsines.","Chemical communications (Cambridge, England)","2018","54","55","7649","7652","10.1039/c8cc04164d","","","1.54184","CuKα","","0.0789","0.0641","","","0.1334","0.1414","","","","","","1.127","","","","has coordinates,has disorder","227740","2020-10-21","18:00:00",""
"7124483","11.6151","0.0006","12.8269","0.0009","13.1163","0.0009","76.087","0.006","74.884","0.005","67.493","0.006","1721","0.2","104","7","104","7","","","","","","","","4","P -1","-P 1","2","","","","- C64 H96 Mg2 N4 -","- C64 H96 Mg2 N4 -","- C64 H96 Mg2 N4 -","1","0.5","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0598","0.0511","","","0.1388","0.1459","","","","","","1.037","","","","has coordinates","227742","2020-10-21","18:00:00",""
"7124484","10.73722","0.00014","32.4655","0.0004","14.61307","0.0002","90","","100.97","0.0013","90","","5000.87","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H43 B F20 N2 -","- C53 H43 B F20 N2 -","- C212 H172 B4 F80 N8 -","4","1","","Pahl, Jürgen; Brand, Steffen; Elsen, Holger; Harder, Sjoerd","Highly Lewis acidic cationic alkaline earth metal complexes.","Chemical communications (Cambridge, England)","2018","54","63","8685","8688","10.1039/c8cc04083d","","x-ray","1.54184","CuKα","","0.0504","0.0438","","","0.1113","0.1179","","","","","","1.049","","","","has coordinates","227742","2020-10-21","18:00:00",""
"7124486","10.1635","0.0019","20.791","0.004","10.5547","0.0019","90","","102.641","0.002","90","","2176.2","0.7","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H60 Cl N5 -","- C50 H60 Cl N5 -","- C100 H120 Cl2 N10 -","2","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.71073","MoKα","","0.0672","0.0488","","","0.0825","0.0922","","","","","","1.048","","","","has coordinates","227744","2020-10-21","18:00:00",""
"7124487","16.8622","0.0006","9.5715","0.0004","26.4871","0.0009","90","","90.972","0.002","90","","4274.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 N4 O3 -","- C48 H54 N4 O3 -","- C192 H216 N16 O12 -","4","1","","Dutta, Ranjan; Firmansyah, Dikhi; Kim, Jihoon; Jo, Hongil; Ok, Kang Min; Lee, Chang-Hee","Unexpected halide anion binding modes in meso-bis-ethynyl picket-calix[4]pyrroles: effects of meso-π (ethynyl) extension.","Chemical communications (Cambridge, England)","2018","54","57","7936","7939","10.1039/c8cc04393k","","x-ray","0.71073","MoKα","","0.1471","0.0586","","","0.1144","0.1449","","","","","","0.999","","","","has coordinates","227744","2020-10-21","18:00:00",""
"7124488","7.9445","0.00009","10.19612","0.00012","25.8377","0.0002","90","","90","","90","","2092.93","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C22H22NO3S2","","- C22 H21 N O3 S2 -","- C22 H21 N O3 S2 -","- C88 H84 N4 O12 S8 -","4","1","","Li, Jin-Shan; Liu, Yong-Jie; Li, Shen; Ma, Jun-An","Chiral phosphoric acid-catalyzed direct asymmetric mannich reaction of cyclic C-acylimines with simple ketones: facile access to C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2018","54","66","9151","9154","10.1039/c8cc05125a","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0896","0.0905","","","","","","1.078","","","","has coordinates","227747","2020-10-21","18:00:00",""
"7124489","7.3275","0.0001","10.5863","0.0002","7.1618","0.0001","90","","90","","90","","555.549","0.015","299","2","299","2","","","","","","","","7","C m m m","-C 2 2","65","","","","- C4 H4 Br2 Cu N4 O2 Pt -","- C4 Br2 Cu N4 O2 Pt -","- C8 Br4 Cu2 N8 O4 Pt2 -","2","0.125","","Sergeenko, Ania S.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Designing anisotropic cyanometallate coordination polymers with unidirectional thermal expansion (TE): 2D zero and 1D colossal positive TE.","Chemical communications (Cambridge, England)","2018","54","13","1599","1602","10.1039/c7cc09033a","","","0.71073","MoKα","","0.0175","0.0173","","","0.0423","0.0424","","","","","","1.09","","","","has coordinates","227748","2020-10-21","18:00:00",""
"7124490","7.2595","0.0006","10.1348","0.001","7.249","0.0006","90","","90","","90","","533.33","0.08","296","2","296","2","","","","","","","","6","C m m m","-C 2 2","65","","","","- C4 Cl2 Cu N4 O2 Pt -","- C4 Cl2 Cu N4 O2 Pt -","- C8 Cl4 Cu2 N8 O4 Pt2 -","2","0.125","","Sergeenko, Ania S.; Ovens, Jeffrey S.; Leznoff, Daniel B.","Designing anisotropic cyanometallate coordination polymers with unidirectional thermal expansion (TE): 2D zero and 1D colossal positive TE.","Chemical communications (Cambridge, England)","2018","54","13","1599","1602","10.1039/c7cc09033a","","","0.71073","MoKα","","0.0381","0.0326","","","0.0734","0.0749","","","","","","1.028","","","","has coordinates","227748","2020-10-21","18:00:00",""
"7124491","8.2841","0.001","11.8607","0.0016","25.557","0.004","95.308","0.004","94.332","0.004","93.372","0.003","2487.7","0.6","200","2","199.99","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H58 Cl2 F12 N4 P2 Rh2 -","- C46 H58 Cl2 F12 N4 P2 Rh2 -","- C92 H116 Cl4 F24 N8 P4 Rh4 -","2","1","","Lionetti, Davide; Day, Victor W.; Lassalle-Kaiser, Benedikt; Blakemore, James D.","Multiple binding modes of an unconjugated bis(pyridine) ligand stabilize low-valent [Cp*Rh] complexes.","Chemical communications (Cambridge, England)","2018","54","14","1694","1697","10.1039/c7cc09164h","","x-ray","0.71073","MoKα","","0.0595","0.0436","","","0.0881","0.0958","","","","","","1.054","","","","has coordinates","227749","2020-10-21","18:00:00",""
"7124492","10.68","0.0002","11.8136","0.0003","11.8896","0.0003","117.254","0.0017","108.438","0.0017","97.3701","0.0017","1196.94","0.06","200","2","199.99","","","","","","","","","6","P -1","-P 1","2","","","","- C23.33 H29 F6 N2 P Rh -","- C23.33 H29 F6 N2 P Rh -","- C46.66 H58 F12 N4 P2 Rh2 -","2","1","","Lionetti, Davide; Day, Victor W.; Lassalle-Kaiser, Benedikt; Blakemore, James D.","Multiple binding modes of an unconjugated bis(pyridine) ligand stabilize low-valent [Cp*Rh] complexes.","Chemical communications (Cambridge, England)","2018","54","14","1694","1697","10.1039/c7cc09164h","","x-ray","1.54178","CuKα","","0.0687","0.0582","","","0.1448","0.1534","","","","","","1.065","","","","has coordinates","227749","2020-10-21","18:00:00",""
"7124493","10.8564","0.0002","11.6907","0.0003","16.6402","0.0004","90","","103.578","0.001","90","","2052.93","0.08","200","2","199.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N2 Rh -","- C23 H29 N2 Rh -","- C92 H116 N8 Rh4 -","4","1","","Lionetti, Davide; Day, Victor W.; Lassalle-Kaiser, Benedikt; Blakemore, James D.","Multiple binding modes of an unconjugated bis(pyridine) ligand stabilize low-valent [Cp*Rh] complexes.","Chemical communications (Cambridge, England)","2018","54","14","1694","1697","10.1039/c7cc09164h","","x-ray","1.54178","CuKα","","0.0373","0.0353","","","0.0962","0.0983","","","","","","1.046","","","","has coordinates","227749","2020-10-21","18:00:00",""
"7124494","9.1885","0.0007","9.6792","0.0009","11.035","0.0009","64.897","0.005","78.682","0.005","89.685","0.005","868.09","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 F N2 O2 -","- C22 H15 F N2 O2 -","- C44 H30 F2 N4 O4 -","2","1","","Roy, Subhasish; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Copper-mediated regioselective C-H etherification of naphthylamides with arylboronic acids using water as an oxygen source.","Chemical communications (Cambridge, England)","2018","54","31","3899","3902","10.1039/c8cc02158a","","","0.71073","MoKα","","0.0588","0.0443","","","0.1325","0.147","","","","","","1.03","","","","has coordinates","227750","2020-10-21","18:00:00",""
"7124495","5.682","0.0005","7.9839","0.0007","11.5941","0.0009","70.6","0.001","77.45","0.002","86.006","0.003","484.24","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H6 F N O3 S -","- C9 H6 F N O3 S -","- C18 H12 F2 N2 O6 S2 -","2","1","","Leng, Jing; Qin, Hua-Li","1-Bromoethene-1-sulfonyl fluoride (1-Br-ESF), a new SuFEx clickable reagent, and its application for regioselective construction of 5-sulfonylfluoro isoxazoles.","Chemical communications (Cambridge, England)","2018","54","35","4477","4480","10.1039/c8cc00986d","","","0.71073","MoKα","","0.0711","0.0577","","","0.1773","0.1891","","","","","","1.077","","","","has coordinates","227751","2020-10-21","18:00:00",""
"7124496","10.2226","0.0007","13.5319","0.0009","13.5794","0.0009","105.493","0.002","99.264","0.002","107.574","0.002","1664.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 O12 S3 Ti3 -","- C27 H35 O12 S3 Ti3 -","- C54 H70 O24 S6 Ti6 -","2","1","","Liu, Gang; Yang, Xing; Bonnefont, Antoine; Lv, Yaokang; Chen, Jun; Dan, Wenyan; Chen, Zuofeng; Ruhlmann, Laurent; Wright, Dominic S.; Zhang, Cheng","Conjugated hybrid films based on a new polyoxotitanate monomer.","Chemical communications (Cambridge, England)","2018","54","100","14132","14135","10.1039/c8cc07527a","","","0.71073","MoKα","","0.0381","0.0331","","","0.0811","0.0841","","","","","","1.043","","","","has coordinates,has disorder","227752","2020-10-21","18:00:00",""
"7124497","27.5324","0.001","9.3673","0.0003","19.5352","0.0007","90","","128.892","0.001","90","","3921.4","0.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H40 Cl2 N10 O4 -","- C41 H40 Cl2 N10 O4 -","- C164 H160 Cl8 N40 O16 -","4","0.5","","Sawant, Devesh M.; Sharma, Shivani; Pathare, Ramdas S.; Joshi, Gaurav; Kalra, Sourav; Sukanya, Sukanya; Maurya, Antim K.; Metre, Ramesh K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Kumar, Raj; Pardasani, R. T.","Relay tricyclic Pd(ii)/Ag(i) catalysis: design of a four-component reaction driven by nitrene-transfer on isocyanide yields inhibitors of EGFR.","Chemical communications (Cambridge, England)","2018","54","82","11530","11533","10.1039/c8cc05845h","","","0.71073","MoKα","","0.066","0.0551","","","0.1576","0.1722","","","","","","1.325","","","","has coordinates","227755","2020-10-21","18:00:00",""
"7124502","10.093","0.003","10.384","0.003","10.818","0.003","78.634","0.004","65.151","0.004","71.085","0.004","970.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cu N4 O8 -","- C18 H14 Cu N4 O8 -","- C36 H28 Cu2 N8 O16 -","2","1","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0414","0.0332","","","0.0911","0.0964","","","","","","1.05","","","","has coordinates","227867","2020-10-21","18:00:00",""
"7124503","9.784","0.008","12.52","0.011","15.403","0.013","90","","101.907","0.013","90","","1846","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl2 Cu N2 O2 -","- C19 H16 Cl2 Cu N2 O2 -","- C76 H64 Cl8 Cu4 N8 O8 -","4","1","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0321","0.0254","","","0.067","0.0709","","","","","","1.047","","","","has coordinates","227867","2020-10-21","18:00:00",""
"7124504","8.818","0.005","9.995","0.006","13.151","0.007","99.756","0.009","104.779","0.008","103.63","0.008","1056.2","1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","- C38 H32 Cu2 N4 O14 S2 -","1","0.5","","Hu, Kun; Liu, Chensi; Li, Jingui; Liang, Fupei","Copper(ii) complexes based on quinoline-derived Schiff-base ligands: synthesis, characterization, HSA/DNA binding ability, and anticancer activity.","MedChemComm","2018","9","10","1663","1672","10.1039/c8md00223a","","","0.71073","MoKα","","0.0909","0.0682","","","0.2084","0.2307","","","","","","1.063","","","","has coordinates,has disorder","227867","2020-10-21","18:00:00",""
"7124505","7.24927","0.00018","12.5565","0.0003","19.2992","0.0005","90","","90","","90","","1756.72","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias","DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.","MedChemComm","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.0322","0.0318","","","0.0836","0.0841","","","","","","1.062","","","","has coordinates","227868","2020-10-21","18:00:00",""
"7124506","7.1337","0.0001","25.555","0.0005","7.1778","0.0001","90","","101.331","0.0007","90","","1283.02","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias","DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.","MedChemComm","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.039","0.0379","","","0.1017","0.1028","","","","","","1.048","","","","has coordinates","227868","2020-10-21","18:00:00",""
"7125318","23.3698","0.0013","23.3698","0.0013","89.848","0.003","90","","90","","120","","42496","4","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","R-CHDA-FRP-8","R-CHDA-FRP-8","","- C96 H108 N12 -","- C96 H108 N12 -","- C1728 H1944 N216 -","18","1.5","","Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu","Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.","Chemical communications (Cambridge, England)","2018","54","37","4685","4688","10.1039/c8cc02049c","","","1.54178","CuKα","","0.141","0.102","","","0.2755","0.3379","","","","","","1.005","","","","has coordinates,has disorder","236757","2020-10-21","18:00:00",""
"7125319","23.3854","0.0007","23.3854","0.0007","89.444","0.002","90","","90","","120","","42362","2","150","","150","","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","S-CHDA-FRP-7","","","- C96 H108 N12 -","- C96 H108 N12 -","- C1728 H1944 N216 -","18","1.5","","Zhang, Pei; Wang, Xinchang; Xuan, Wei; Peng, Pixian; Li, Zhihao; Lu, Ruqiang; Wu, Shuang; Tian, Zhongqun; Cao, Xiaoyu","Chiral separation and characterization of triazatruxene-based face-rotating polyhedra: the role of non-covalent facial interactions.","Chemical communications (Cambridge, England)","2018","54","37","4685","4688","10.1039/c8cc02049c","","x-ray","1.54178","CuKα","","0.1154","0.0891","","","0.2366","0.2613","","","","","","1.07","","","","has coordinates,has disorder","236757","2020-10-21","18:00:00",""
"7125320","54.8796","0.0009","54.8796","0.0009","54.8796","0.0009","90","","90","","90","","165285","5","173","2","173.01","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C9 H6 Cl0.25 N2 O5 Tb0.5 -","- C9 H4 Cl0.25 N2 O5 Tb0.5 -","- C1728 H768 Cl48 N384 O960 Tb96 -","192","1","","Du, Wei; Zhu, Zhifeng; Bai, Yue-Ling; Yang, Zhen; Zhu, Shourong; Xu, Jiaqiang; Xie, Zhaoxiong; Fang, Jianhui","An anionic sod-type terbium-MOF with extra-large cavities for effective anthocyanin extraction and methyl viologen detection.","Chemical communications (Cambridge, England)","2018","54","47","5972","5975","10.1039/c8cc02193g","","","1.54178","CuKα","","0.0767","0.0668","","","0.2059","0.2182","","","","","","1.131","","","","has coordinates","236759","2020-10-21","18:00:00",""
"7125321","10.0854","0.001","17.8383","0.0016","16.192","0.0016","90","","96.009","0.004","90","","2897","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","5-azoniaspiro[4.4]nonane 10-phenyl-9-phosphatriptycene-10-borate","","- C36 H41 B N O P -","- C36 H41 B N O P -","- C144 H164 B4 N4 O4 P4 -","4","1","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.053","0.0409","","","0.1121","0.1214","","","","","","1.065","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125322","16.708","0.0008","22.4099","0.0011","16.7415","0.0008","90","","90","","90","","6268.4","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","cis-[PtMe2[PTB]2][NEt4]2","","- C66 H80 B2 N2 P2 Pt -","- C66 H80 B2 N2 P2 Pt -","- C264 H320 B8 N8 P8 Pt4 -","4","0.5","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.1027","0.0735","","","0.153","0.163","","","","","","1.085","","","","has coordinates,has disorder","236762","2020-10-21","18:00:00",""
"7125323","13.563","0.001","16.1347","0.0013","18.638","0.0016","90","","95.679","0.004","90","","4058.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PTBCo(Br)3(NEt4)2","","- C40 H57 B Br3 Co N2 P -","- C40 H57 B Br3 Co N2 P -","- C160 H228 B4 Br12 Co4 N8 P4 -","4","1","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","1.54178","CuKα","","0.1737","0.1602","","","0.4098","0.4362","","","","","","2.068","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125324","17.601","0.003","17.365","0.002","17.358","0.002","90","","90","","90","","5305.3","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-azoniaspiro[4.4]nonane 10-phenyl-9-phosphatriptycene-10-borate selenide","","- C32 H33 B N P Se -","- C32 H33 B N P Se -","- C256 H264 B8 N8 P8 Se8 -","8","2","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.0588","0.0453","","","0.1086","0.1133","","","","","","1.024","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125325","18.893","0.002","15.0154","0.0015","20.461","0.002","90","","114.845","0.004","90","","5267.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(ethylammonium) 10-phenyl-9-phosphatriptycene-10-borate","","- C32 H37 B N P -","- C32 H37 B N P -","- C256 H296 B8 N8 P8 -","8","2","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.0571","0.0441","","","0.156","0.1646","","","","","","1.251","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125326","13.5457","0.0011","16.1351","0.0013","18.6839","0.0015","90","","95.303","0.004","90","","4066.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[Fe(PTB)Br3][NEt4]2","","- C40 H57 B Br3 Fe N2 P -","- C40 H57 B Br3 Fe N2 P -","- C160 H228 B4 Br12 Fe4 N8 P4 -","4","1","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.0432","0.034","","","0.0841","0.0885","","","","","","1.044","","","","has coordinates","236762","2020-10-21","18:00:00",""
"7125327","25.9634","0.0018","17.706","0.0013","29.773","0.002","90","","90","","90","","13686.9","1.7","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","PTBCo(Br)(NCMe)2(NEt4)","","- C70 H93 B2 Br Co N8 P2 -","- C70 H96 B2 Br Co N8 P2 -","- C560 H768 B16 Br8 Co8 N64 P16 -","8","0.5","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","1.54178","CuKα","","0.23","0.173","","","0.4104","0.457","","","","","","1.053","","","","has coordinates,has disorder","236762","2020-10-21","18:00:00",""
"7125328","22.776","0.002","11.6346","0.0012","27.261","0.003","90","","113.332","0.003","90","","6633.2","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Co(PTB)2Br2","","- C144 H168 B4 Br4 Co3 N6 O6 P4 -","- C144 H168 B4 Br4 Co3 N6 O6 P4 -","- C288 H336 B8 Br8 Co6 N12 O12 P8 -","2","0.5","","Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.","Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.","Chemical communications (Cambridge, England)","2018","54","57","7916","7919","10.1039/c8cc04321c","","","0.71073","MoKα","","0.0946","0.061","","","0.1377","0.1536","","","","","","1.004","","","","has coordinates,has disorder","236762","2020-10-21","18:00:00",""
"7125329","7.0483","0.0008","12.691","0.0013","14.4533","0.0015","103.668","0.009","90.921","0.009","102.65","0.009","1222.6","0.2","294.83","0.16","294.83","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","2","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.1206","0.0624","","","0.1046","0.127","","","","","","1.0541","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125330","6.3592","0.0009","9.7262","0.0014","15.058","0.002","92.739","0.011","99.147","0.011","106.484","0.012","877.5","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F N2 O2 -","- C19 H21 F N2 O2 -","- C38 H42 F2 N4 O4 -","2","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.1367","0.0664","","","0.1526","0.2011","","","","","","1.0409","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125331","9.8482","0.0006","12.1953","0.0006","15.5327","0.001","90","","106.98","0.007","90","","1784.18","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.0615","0.0445","","","0.1034","0.1153","","","","","","1.0693","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125332","11.9347","0.0006","13.0246","0.0005","12.4263","0.0006","90","","112.805","0.005","90","","1780.61","0.16","294.9","0.2","294.9","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F N2 O2 -","- C20 H23 F N2 O2 -","- C80 H92 F4 N8 O8 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.0805","0.0494","","","0.1075","0.1239","","","","","","1.0529","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125333","10.711","0.003","11.136","0.002","13.512","0.003","100.641","0.016","104.19","0.02","113.52","0.02","1358.4","0.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 N4 O3 -","- C32 H30 N4 O3 -","- C64 H60 N8 O6 -","2","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.1746","0.096","","","0.1615","0.1936","","","","","","1.1109","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125334","11.1136","0.0008","11.2993","0.0009","12.7113","0.0006","105.175","0.005","101.292","0.005","114.625","0.008","1313.2","0.2","294.29","0.18","294.29","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","2","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.0794","0.0554","","","0.1359","0.155","","","","","","1.0647","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125335","7.1819","0.0013","12.909","0.003","16.108","0.003","90","","99.316","0.018","90","","1473.7","0.5","294.29","0.18","294.29","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.1176","0.0643","","","0.1218","0.1486","","","","","","1.0019","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125336","13.1564","0.0005","14.1743","0.0006","20.5373","0.001","90","","93.892","0.005","90","","3821","0.3","295.92","0.1","295.92","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.0643","0.0474","","","0.138","0.1528","","","","","","1.0675","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125337","9.0284","0.0009","12.6694","0.0008","14.298","0.0011","90","","96.266","0.008","90","","1625.7","0.2","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.0892","0.0527","","","0.1124","0.1359","","","","","","1.0654","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125338","7.0181","0.0004","7.9004","0.0005","25.5706","0.0016","90","","92.661","0.006","90","","1416.25","0.15","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","x-ray","0.71073","MoKα","","0.1357","0.0701","","","0.1561","0.2151","","","","","","0.9616","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125339","5.729","0.0015","14.295","0.005","15.456","0.004","90","","90","","90","","1265.8","0.6","294.29","0.18","294.29","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.1325","0.0744","","","0.0878","0.1071","","","","","","1.0593","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125340","23.3487","0.0009","12.1983","0.0005","21.8684","0.0009","90","","92.992","0.004","90","","6219.9","0.4","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C121 H200 N6 O4 Si4 Y2 -","- C121 H192 N6 O4 Si4 Y2 -","- C242 H384 N12 O8 Si8 Y4 -","2","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.1221","0.0719","","","0.1757","0.2003","","","","","","1.016","","","","has coordinates,has disorder","236769","2020-10-21","18:00:00",""
"7125341","10.9326","0.0019","12.067","0.002","21.041","0.004","105.472","0.006","96.265","0.006","94.586","0.006","2641.9","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H176 N6 O4 Si4 Yb2 -","- C99 H176 N6 O4 Si4 Yb2 -","- C99 H176 N6 O4 Si4 Yb2 -","1","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.0453","0.0401","","","0.0857","0.0884","","","","","","1.107","","","","has coordinates,has disorder","236769","2020-10-21","18:00:00",""
"7125342","21.5295","0.0006","12.1512","0.0004","23.1374","0.0007","90","","93.7523","0.0009","90","","6040","0.3","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C107 H182 N6 O4 Si4 Yb2 -","- C107 H182 N6 O4 Si4 Yb2 -","- C214 H364 N12 O8 Si8 Yb4 -","2","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.0404","0.0308","","","0.0717","0.0752","","","","","","1.129","","","","has coordinates,has disorder","236769","2020-10-21","18:00:00",""
"7125343","13.5259","0.0012","9.785","0.0009","29.268","0.003","90","","95.506","0.005","90","","3855.8","0.6","296","2","296","2","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C44 H60 N2 O2 -","- C44 H60 N2 O2 -","- C176 H240 N8 O8 -","4","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.0984","0.057","","","0.1514","0.1694","","","","","","1.12","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7125344","9.6188","0.0006","9.9837","0.0007","12.2473","0.0009","101.903","0.006","98.362","0.006","113.312","0.006","1022.59","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H72 N2 O2 -","- C44 H72 N2 O2 -","- C44 H72 N2 O2 -","1","0.5","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","1.54184","CuKα","","0.0867","0.0698","","","0.2009","0.222","","","","","","1.029","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7125345","15.3478","0.0004","16.3591","0.0005","20.5634","0.0006","90","","94.045","0.003","90","","5150.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 N3 O2 Si2 Y -","- C50 H76 N3 O2 Si2 Y -","- C200 H304 N12 O8 Si8 Y4 -","4","1","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.1408","0.0652","","","0.0972","0.1201","","","","","","1.003","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7125346","10.8751","0.001","12.0478","0.0012","20.872","0.002","105.371","0.003","96.234","0.003","94.373","0.003","2605.5","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H84 N3 O2 Si2 Y -","- C46 H84 N3 O2 Si2 Y -","- C92 H168 N6 O4 Si4 Y2 -","2","1","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.0709","0.0483","","","0.1247","0.1414","","","","","","0.726","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7125347","15.212","0.0012","16.174","0.002","20.7742","0.0015","90","","95.218","0.006","90","","5090.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H76 N3 O2 Si2 Yb -","- C50 H76 N3 O2 Si2 Yb -","- C200 H304 N12 O8 Si8 Yb4 -","4","1","","Zhuo, Zhixing; Zhang, Chen; Luo, Yunjie; Wang, Yaorong; Yao, Yingming; Yuan, Dan; Cui, Dongmei","Stereo-selectivity switchable ROP of rac-β-butyrolactone initiated by salan-ligated rare-earth metal amide complexes: the key role of the substituents on ligand frameworks.","Chemical communications (Cambridge, England)","2018","54","85","11998","12001","10.1039/c8cc05469j","","","0.71073","MoKα","","0.1249","0.0665","","","0.1315","0.1943","","","","","","1.017","","","","has coordinates","236769","2020-10-21","18:00:00",""
"7125348","10.7129","0.0004","12.186","0.0005","16.3333","0.0005","90","","90","","90","","2132.27","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cd Cl N9 P -","- C14 H19 Cd Cl N9 P -","- C56 H76 Cd4 Cl4 N36 P4 -","4","1","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.1489","0.121","","","0.337","0.3542","","","","","","1.342","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125349","18.909","0.004","10.618","0.002","10.507","0.002","90","","111.75","0.03","90","","1959.4","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cd F N9 P -","- C14 H18 Cd F N9 P -","- C56 H72 Cd4 F4 N36 P4 -","4","0.5","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.0286","0.0242","","","0.0574","0.0598","","","","","","1.064","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125350","16.65","0.005","16.667","0.005","15.809","0.005","90","","90","","90","","4387","2","333","2","333","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Cd Cl N9 P -","- C14 H19 Cd Cl N9 P -","- C112 H152 Cd8 Cl8 N72 P8 -","8","1","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.1663","0.1289","","","0.3511","0.3685","","","","","","0.719","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125351","16.172","0.002","15.6943","0.0017","16.8867","0.0018","90","","90","","90","","4286","0.8","373","2","373","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C14 H18 Cd F N9 P -","- C14 H18 Cd F N9 P -","- C112 H144 Cd8 F8 N72 P8 -","8","0.5","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.2682","0.147","","","0.3692","0.4619","","","","","","0.884","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125352","7.1311","0.0002","8.3942","0.0003","17.2693","0.0006","90","","95.931","0.002","90","","1028.2","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C48 H40 S8 -","2","0.5","","Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W.","Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes.","Chemical communications (Cambridge, England)","2018","54","95","13419","13422","10.1039/c8cc08095j","","","1.54178","CuKα","","0.0345","0.0323","","","0.0859","0.0881","","","","","","1.04","","","","has coordinates","236776","2020-10-21","18:00:00",""
"7125353","10.8663","0.0005","8.5571","0.0003","22.5617","0.001","90","","90","","90","","2097.88","0.15","173","2","173","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C24 H20 S4 -","- C24 H20 S4 -","- C96 H80 S16 -","4","0.5","","Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W.","Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes.","Chemical communications (Cambridge, England)","2018","54","95","13419","13422","10.1039/c8cc08095j","","","1.54178","CuKα","","0.0799","0.0705","","","0.1777","0.1885","","","","","","1.021","","","","has coordinates","236776","2020-10-21","18:00:00",""
"7125456","10.9587","0.0003","7.7456","0.0002","22.4121","0.0007","90","","100.151","0.001","90","","1872.6","0.09","296.15","0.02","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(3-benzoyl-6-chloro-2-phenyl-1,4-dihydro-4-quinolinyl)acetaldehyde","2-(3-benzoyl-6-chloro-2-phenyl-1,4-dihydro-4-quinolinyl)acetaldehyde","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C96 H72 Cl4 N4 O8 -","4","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Mal'kina, A. G.; Afonin, A. V.; Ushakov, I. A.; Vashchenko, A. V.","Transition metal-free one-pot double C-H functionalization of quinolines with disubstituted electron-deficient acetylenes.","Chemical communications (Cambridge, England)","2018","54","46","5863","5866","10.1039/c8cc03269f","","","0.71073","MoKα","","0.0783","0.0432","","","0.1088","0.1397","","","","","","1.112","","","","has coordinates","243780","2020-10-21","18:00:00",""
"7125457","10.0386","0.0007","16.6863","0.0011","10.3764","0.0007","90","","90","","90","","1738.1","0.2","297.15","","297.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","((5-(Methylthio)-2-phenylquinolin-3-yl)(thiophen-2-yl)methanone","","- C21 H15 N O2 S -","- C21 H15 N O2 S -","- C84 H60 N4 O8 S4 -","4","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Mal'kina, A. G.; Afonin, A. V.; Ushakov, I. A.; Vashchenko, A. V.","Transition metal-free one-pot double C-H functionalization of quinolines with disubstituted electron-deficient acetylenes.","Chemical communications (Cambridge, England)","2018","54","46","5863","5866","10.1039/c8cc03269f","","","0.71073","MoKα","","0.0388","0.0306","","","0.0682","0.0718","","","","","","1.093","","","","has coordinates","243780","2020-10-21","18:00:00",""
"7125458","12.115","0.0009","16.3598","0.0014","7.7826","0.0006","90","","108.183","0.003","90","","1465.5","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-furyl(2-phenyl-3-quinolinyl)methanone","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Trofimov, B. A.; Belyaeva, K. V.; Nikitina, L. P.; Mal'kina, A. G.; Afonin, A. V.; Ushakov, I. A.; Vashchenko, A. V.","Transition metal-free one-pot double C-H functionalization of quinolines with disubstituted electron-deficient acetylenes.","Chemical communications (Cambridge, England)","2018","54","46","5863","5866","10.1039/c8cc03269f","","","0.71073","MoKα","","0.0471","0.0398","","","0.1003","0.1048","","","","","","1.061","","","","has coordinates","243780","2020-10-21","18:00:00",""
"7155930","10.8476","0.0003","17.322","0.0004","37.2345","0.0009","90","","90","","90","","6996.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N5 O8 -","- C38 H41 N5 O8 -","- C304 H328 N40 O64 -","8","2","","Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál","Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.","Organic & biomolecular chemistry","2018","16","3","393","401","10.1039/c7ob02296d","","","1.54184","CuKα","","0.0862","0.0669","","","","0.1861","","","","","","1.046","","","","has coordinates","230883","2020-10-21","18:00:00",""
"7155949","11.5591","0.0009","13.2129","0.0011","12.0726","0.001","90","","90.884","0.001","90","","1843.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10.25 Cl5.88 D0.88 N O3 -","- C15 H10.248 Cl5.876 D0.876 N O3 -","- C60 H40.992 Cl23.504 D3.504 N4 O12 -","4","1","","Rajale, Trideep; Sharma, Shikha; Unruh, Daniel K.; Stroud, Daniel A.; Birney, David M.","A pseudopericyclic [3,5]-sigmatropic rearrangement of a coumarin trichloroacetimidate derivative.","Organic & biomolecular chemistry","2018","16","6","874","879","10.1039/c7ob02335a","","","0.71073","MoKα","","0.0334","0.0279","","","0.0699","0.0731","","","","","","1.034","","","","has coordinates,has disorder","230721","2020-10-21","18:00:00",""
"7155995","9.7379","0.0019","13.134","0.003","14.204","0.003","74.4","0.03","79.76","0.03","87.25","0.03","1721.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19.5 N2.5 O3 -","- C19 H19.5 N2.5 O3 -","- C76 H78 N10 O12 -","4","2","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1371","0.0837","","","0.2141","0.2487","","","","","","1.009","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7155996","7.7842","0.0016","19.387","0.004","8.315","0.0017","90","","106.96","0.03","90","","1200.3","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C24 H34 N4 O5 -","- C24 H34 N4 O5 -","- C48 H68 N8 O10 -","2","1","","Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.","Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.","Organic & biomolecular chemistry","2018","16","4","521","525","10.1039/c7ob02680c","","","0.71073","MoKα","","0.1224","0.089","","","0.1501","0.1659","","","","","","1.245","","","","has coordinates","230704","2020-10-21","18:00:00",""
"7156001","7.966","0.002","9.708","0.003","13.669","0.004","90","","98.158","0.005","90","","1046.4","0.5","203","","203","","","","","","","","","5","P 1 c 1","P -2yc","7","","2-((3-(4-nitrophenyl)-1-tosyl-1H-pyrazol-4-yl)methyl)benzonitrile","","- C24 H18 N4 O4 S -","- C24 H18 N4 O4 S -","- C48 H36 N8 O8 S2 -","2","1","","Yang, Ying; Hu, Zi-Lin; Li, Ren-Hao; Chen, Yi-Hui; Zhan, Zhuang-Ping","Pyrazole synthesis via a cascade Sonogashira coupling/cyclization of N-propargyl sulfonylhydrazones.","Organic & biomolecular chemistry","2018","16","2","197","201","10.1039/c7ob02576a","","","0.71073","MoKα","","0.0468","0.0423","","","0.0966","0.099","","","","","","1.042","","","","has coordinates","230714","2020-10-21","18:00:00",""
"7156002","9.337","0.003","10.612","0.004","13.512","0.005","71.627","0.004","81.23","0.005","72.359","0.005","1208.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N5 O7 -","- C25 H21 N5 O7 -","- C50 H42 N10 O14 -","2","1","","Mondal, Animesh; Naskar, Barnali; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda","I<sub>2</sub> catalyzed access of spiro[indoline-3,4'-pyridine] appended amine dyad: new ON-OFF chemosensors for Cu<sup>2+</sup> and imaging in living cells.","Organic & biomolecular chemistry","2018","16","2","302","315","10.1039/c7ob02651j","","","0.71073","MoKα","","0.0874","0.0514","","","0.1515","0.201","","","","","","0.718","","","","has coordinates","230716","2020-10-21","18:00:00",""
"7156003","7.2037","0.0011","10.9197","0.0017","23.762","0.004","90","","90","","90","","1869.2","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 Si -","- C17 H28 O4 Si -","- C68 H112 O16 Si4 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0542","0.0533","","","0.1337","0.1349","","","","","","1.087","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156004","14.9553","0.0002","8.63515","0.00011","19.7885","0.0003","90","","111.869","0.0019","90","","2371.61","0.06","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C104 H128 O40 -","8","4","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0468","0.0456","","","0.1279","0.1287","","","","","","1.022","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156005","12.308","0.007","6.22","0.003","13.145","0.007","90","","108.591","0.011","90","","953.8","0.9","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C36 H48 O14 -","2","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0352","0.0332","","","0.0869","0.0881","","","","","","1.047","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156006","7.4671","0.0013","32.535","0.005","5.2751","0.0009","90","","108.583","0.004","90","","1214.7","0.4","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0508","0.0497","","","0.1135","0.1144","","","","","","1.15","","","","has coordinates","230715","2020-10-21","18:00:00",""
"7156007","10.1923","0.0018","18.865","0.003","31","0.006","90","","91.926","0.006","90","","5957.2","1.8","173","","173","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H44 N O7.5 S2.5 Si -","- C22 H44 N O7.5 S2.5 Si -","- C176 H352 N8 O60 S20 Si8 -","8","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","0.71075","MoKα","","0.1555","0.1069","","","0.279","0.3146","","","","","","1.054","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156008","14.189","0.014","4.122","0.004","19.078","0.019","90","","96.17","0.012","90","","1109.4","1.9","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H8 I N S -","- C12 H8 I N S -","- C48 H32 I4 N4 S4 -","4","1","","Sonawane, Amol D.; Garud, Dinesh R.; Udagawa, Taro; Koketsu, Mamoru","Synthesis of thieno[2,3-b]quinoline and selenopheno[2,3-b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study.","Organic & biomolecular chemistry","2018","16","2","245","255","10.1039/c7ob02523h","","","0.7107","MoKα","","0.0607","0.047","","","0.1189","0.1346","","","","","","0.809","","","","has coordinates","230713","2020-10-21","18:00:00",""
"7156012","19.6052","0.0007","6.8504","0.0002","24.8223","0.0009","90","","90","","90","","3333.7","0.2","223","","223","1","","","","","","","see text","3","P b c a","-P 2ac 2ab","61","","(2Z)-7-phenyl-2-(phenylmethylidine)-1,4,6-triozaspiro[4.5]decane","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","1","","Lombard, Fanny J.; Lepage, Romain J.; Schwartz, Brett D.; Johnston, Ryne C.; Healy, Peter C.; Krenske, Elizabeth H.; Coster, Mark J.","Synthesis of spirocyclic orthoesters by 'anomalous' rhodium(ii)-catalysed intramolecular C-H insertions.","Organic & biomolecular chemistry","2018","16","2","256","261","10.1039/c7ob02123b","","","0.7107","MoKα","","0.1049","0.0657","","","0.1044","0.1168","","","","","","1.117","","","","has coordinates","230712","2020-10-21","18:00:00",""
"7156014","19.3723","0.0014","8.7871","0.0005","19.497","0.0014","90","","109.41","0.008","90","","3130.3","0.4","295.3","0.7","295.3","0.7","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N4 O -","- C18 H12 N4 O -","- C144 H96 N32 O8 -","8","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1056","0.0503","","","0.1085","0.1377","","","","","","1.01","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156015","5.432","0.0002","19.9758","0.0009","17.4712","0.0008","90","","97.033","0.002","90","","1881.51","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O3 S -","- C23 H17 N3 O3 S -","- C92 H68 N12 O12 S4 -","4","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.0929","0.0674","","","0.1659","0.192","","","","","","1.159","","","","has coordinates,has disorder","230670","2020-10-21","18:00:00",""
"7156016","10.2838","0.0005","12.8459","0.001","20.2842","0.0018","101.537","0.007","91.712","0.005","108.106","0.006","2483.3","0.3","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H46 Br Cl Cu N3 O P2 -","- C52.5 H44 Br Cl Cu N3 O P2 -","- C105 H88 Br2 Cl2 Cu2 N6 O2 P4 -","2","1","","Zhang, Cheng; Dong, Shanliang; Zheng, Yang; He, Ciwang; Chen, Jiaolong; Zhen, Jingsen; Qiu, Lihua; Xu, Xinfang","Synthesis of spiro-4H-pyrazole-oxindoles and fused 1H-pyrazoles via divergent, thermally induced tandem cyclization/migration of alkyne-tethered diazo compounds.","Organic & biomolecular chemistry","2018","16","5","688","692","10.1039/c7ob02802d","","","0.71073","MoKα","","0.1506","0.0729","","","0.1784","0.2325","","","","","","1.032","","","","has coordinates","230670","2020-10-21","18:00:00",""
"7156017","6.0374","0.0007","9.0824","0.001","13.2438","0.0015","71.46","0.002","88.791","0.002","78.837","0.002","674.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N O3 S3 -","- C11 H13 N O3 S3 -","- C22 H26 N2 O6 S6 -","2","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0748","0.0703","","","0.2061","0.2115","","","","","","1.06","","","","has coordinates,has disorder","230882","2020-10-21","18:00:00",""
"7156018","15.4813","0.0007","13.2156","0.0006","11.737","0.0004","90","","98.003","0.001","90","","2377.94","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C88 H112 N4 O20 P4 S4 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0757","0.0625","","","0.1686","0.1792","","","","","","1.051","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156019","6.1417","0.0008","9.665","0.0013","20.803","0.003","90","","97.498","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 S3 -","- C10 H11 N O2 S3 -","- C40 H44 N4 O8 S12 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.0574","0.056","","","0.1341","0.1351","","","","","","1.182","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156020","10.9934","0.0013","15.541","0.002","10.7812","0.0015","90","","99.582","0.004","90","","1816.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl N2 O3 S2 -","- C17 H17 Cl N2 O3 S2 -","- C68 H68 Cl4 N8 O12 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1339","0.0885","","","0.1875","0.2073","","","","","","1.057","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156021","17.218","0.007","7.657","0.003","14.611","0.006","90","","103.225","0.012","90","","1875.2","1.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cl N2 O2 S2 -","- C18 H19 Cl N2 O2 S2 -","- C72 H76 Cl4 N8 O8 S8 -","4","1","","Anitha, Mandala; Swamy, K. C. Kumara","Synthesis of thiazolidine-thiones, imino-thiazolidines and oxazolidines via the base promoted cyclisation of epoxy-sulfonamides and heterocumulenes.","Organic & biomolecular chemistry","2018","16","3","402","413","10.1039/c7ob02915b","","","0.71073","MoKα","","0.1276","0.0547","","","0.1079","0.1277","","","","","","1.009","","","","has coordinates","230882","2020-10-21","18:00:00",""
"7156022","10.1637","0.0004","17.2472","0.0005","25.5023","0.0009","90","","90","","90","","4470.4","0.3","219.9","","219.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 Cl6 N5 O8 -","- C33 H55 Cl6 N5 O8 -","- C132 H220 Cl24 N20 O32 -","4","1","","Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.","Organic & biomolecular chemistry","2018","16","3","433","438","10.1039/c7ob02816d","","","0.71073","MoKα","","0.1037","0.0772","","","0.2108","0.2342","","","","","","1.03","","","","has coordinates,has disorder","230880","2020-10-21","18:00:00",""
"7156023","8.2376","0.0004","8.7359","0.0004","11.8649","0.0006","98.745","0.002","102.654","0.002","102.432","0.002","795.58","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem162_0m_a","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.0913","0.067","","","0.1789","0.2103","","","","","","1.158","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156024","9.5942","0.0006","9.7522","0.0007","10.4775","0.0006","101.242","0.003","98.692","0.003","100.998","0.003","925.62","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","vbchem152_0m_a","vbchem152_0m_a","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Samanta, Sadhanendu; Mondal, Susmita; Hajra, Alakananda","A convergent synthesis of vinyloxyimidazopyridine via Cu(i)-catalyzed three-component coupling.","Organic & biomolecular chemistry","2018","16","7","1088","1092","10.1039/c7ob02883k","","","0.71073","MoKα","","0.1304","0.0923","","","0.2333","0.273","","","","","","1.24","","","","has coordinates","230794","2020-10-21","18:00:00",""
"7156025","11.0397","0.0005","10.6042","0.0003","19.2081","0.0009","90","","90","","90","","2248.64","0.16","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-fluorophenyl)-1,3-dimethyl-3-azabicyclo[3.1.0]hexan-2-one","","- C13 H14 F N O -","- C13 H14 F N O -","- C104 H112 F8 N8 O8 -","8","1","","Maslivetc, Vladimir; Barrett, Colby; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Intramolecular nucleophilic addition of carbanions generated from N-benzylamides to cyclopropenes.","Organic & biomolecular chemistry","2018","16","2","285","294","10.1039/c7ob02068f","","x-ray","1.54184","CuKα","","0.0736","0.0652","","","0.1715","0.1812","","","","","","1.054","","","","has coordinates","230717","2020-10-21","18:00:00",""
"7156026","5.9946","0.0002","13.3006","0.0005","13.1317","0.0005","90","","93.111","0.003","90","","1045.47","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 2-((3R,4S,5S)-4-nitro-2-((2-nitrophenyl)sulfonyl)-3-phenyl-1,2-oxazinan-5-yl)acetate","","- C19 H19 N3 O9 S -","- C19 H19 N3 O9 S -","- C38 H38 N6 O18 S2 -","2","1","","Moczulski, Marek; Drelich, Piotr; Albrecht, Łukasz","Bifunctional catalysis in the stereocontrolled synthesis of tetrahydro-1,2-oxazines.","Organic & biomolecular chemistry","2018","16","3","376","379","10.1039/c7ob02894f","","x-ray","1.54184","CuKα","","0.0633","0.058","","","0.1566","0.1609","","","","","","1.029","","","","has coordinates","230881","2020-10-21","18:00:00",""
"7156027","15.2712","0.0005","11.6024","0.0004","14.692","0.0005","90","","107.143","0.001","90","","2487.51","0.15","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C120 H96 Cl8 O8 -","4","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0493","0.0365","","","0.0841","0.091","","","","","","1.022","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156028","14.8423","0.0004","16.4382","0.0005","12.546","0.0004","90","","97.066","0.001","90","","3037.73","0.16","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0602","0.0447","","","0.0995","0.1075","","","","","","1.03","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156029","8.2432","0.0002","10.4558","0.0003","13.9905","0.0004","89.46","0.001","73.266","0.001","88.81","0.001","1154.51","0.05","150","2","150","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0438","0.0363","","","0.0966","0.1013","","","","","","1.029","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156030","8.2454","0.0002","10.3667","0.0003","14.2973","0.0004","90.201","0.001","104.558","0.001","90.585","0.001","1182.78","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 F2 O2 -","- C30 H24 F2 O2 -","- C60 H48 F4 O4 -","2","1","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0416","0.0368","","","0.0899","0.093","","","","","","1.037","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156031","6.164","0.0003","8.847","0.0004","12.0067","0.0005","106.131","0.001","92.963","0.001","101.467","0.001","612.44","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","- C30 H24 Cl2 O2 -","1","0.5","","Jagtap, Pratap R.; Císařová, Ivana; Jahn, Ullrich","Bioinspired total synthesis of tetrahydrofuran lignans by tandem nucleophilic addition/redox isomerization/oxidative coupling and cycloetherification reactions as key steps.","Organic & biomolecular chemistry","2018","16","5","750","755","10.1039/c7ob02848b","","","1.54178","CuKα","","0.0305","0.0298","","","0.0778","0.0783","","","","","","1.047","","","","has coordinates","230672","2020-10-21","18:00:00",""
"7156034","29.898","0.003","12.7893","0.0014","24.928","0.003","90","","123.131","0.002","90","","7982.2","1.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H30 F5 N O2 -","- C48 H30 F5 N O2 -","- C384 H240 F40 N8 O16 -","8","1","","Muthusamy, Sengodagounder; Balasubramani, Alagesan; Suresh, Eringathodi","A BF<sub>3</sub>·Et<sub>2</sub>O catalyzed atom-economical approach to highly substituted indole-3-carbinols from nitrosobenzenes and propargylic alcohols.","Organic & biomolecular chemistry","2018","16","5","756","764","10.1039/c7ob02559a","","","0.71073","MoKα","","0.087","0.0714","","","0.1533","0.1601","","","","","","1.146","","","","has coordinates","230674","2020-10-21","18:00:00",""
"7156035","12.813","0.002","14.49","0.002","16.225","0.004","108.147","0.003","98.12","0.004","116.118","0.002","2429.6","0.8","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Br N O3.5 S -","- C27 H25 Br N O3.5 S -","- C108 H100 Br4 N4 O14 S4 -","4","2","","Wang, Shengzheng; Chen, Shuqiang; Guo, Zhongjie; He, Shipeng; Zhang, Fan; Liu, Xueying; Chen, Weiping; Zhang, Shengyong; Sheng, Chunquan","Synthesis of spiro-tetrahydrothiopyran-oxindoles by Michael-aldol cascade reactions: discovery of potential P53-MDM2 inhibitors with good antitumor activity.","Organic & biomolecular chemistry","2018","16","4","625","634","10.1039/c7ob02726e","","","0.71073","MoKα","","0.1058","0.0572","","","0.1385","0.1788","","","","","","1.046","","","","has coordinates","230705","2020-10-21","18:00:00",""
"7156036","12.6542","0.0008","6.7364","0.0004","18.7735","0.0012","90","","103.364","0.003","90","","1556.99","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)phenol","","- C19 H14 Cl N3 O -","- C19 H14 Cl N3 O -","- C76 H56 Cl4 N12 O4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1236","0.0623","","","0.1084","0.1338","","","","","","1.033","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156037","7.2883","0.0002","7.8141","0.0002","15.5616","0.0003","78.263","0.001","86.775","0.001","76.922","0.001","845.17","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","6-Chloro-7-(2-hydroxy-5-methylphenyl)pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C16 H16 Cl N3 O4 S -","- C16 H16 Cl N3 O4 S -","- C32 H32 Cl2 N6 O8 S2 -","2","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.055","0.039","","","0.0941","0.1038","","","","","","1.039","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156038","32.653","0.002","4.8634","0.0004","21.787","0.0016","90","","119.984","0.004","90","","2996.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,8-Dimethyl-1-phenyl-1<i>H</i>-benzofuro[3,2-<i>b</i>]pyrazolo[4,3-<i>e</i>]pyridine","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.0757","0.0462","","","0.1076","0.1274","","","","","","1.019","","","","has coordinates","230671","2020-10-21","18:00:00",""
"7156039","20.255","0.01","7.228","0.004","14.842","0.008","90","","107.35","0.03","90","","2074","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(5-Chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-6-yl)-4-methylphenol","","- C21 H20 Cl N3 O3 S -","- C21 H20 Cl N3 O3 S -","- C84 H80 Cl4 N12 O12 S4 -","4","1","","Miliutina, Mariia; Janke, Julia; Hassan, Sidra; Zaib, Sumera; Iqbal, Jamshed; Lecka, Joanna; Sévigny, Jean; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Langer, Peter","A domino reaction of 3-chlorochromones with aminoheterocycles. Synthesis of pyrazolopyridines and benzofuropyridines and their optical and ecto-5'-nucleotidase inhibitory effects.","Organic & biomolecular chemistry","2018","16","5","717","732","10.1039/c7ob02729j","","","0.71073","MoKα","","0.1086","0.0491","","","0.097","0.1205","","","","","","1.03","","","","has coordinates,has disorder","230671","2020-10-21","18:00:00",""
"7156040","14.4555","0.0007","5.39","0.0003","22.7358","0.001","90","","100.038","0.004","90","","1744.35","0.15","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.08","0.052","","","0.1085","0.1202","","","","","","1.05","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156041","6.7449","0.0004","11.3462","0.0007","12.9292","0.0007","67.033","0.005","83.287","0.005","88.921","0.005","904.39","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0792","0.0514","","","0.1121","0.1253","","","","","","1.018","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156042","7.76154","0.00016","14.0693","0.0003","16.6303","0.0003","103.626","0.0017","100.792","0.0017","99.5738","0.0017","1691.05","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 I O4 -","- C21 H13 I O4 -","- C84 H52 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0418","0.0332","","","0.0686","0.0719","","","","","","1.024","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156043","12.5028","0.0006","9.0127","0.0003","17.7036","0.001","90","","103.877","0.005","90","","1936.69","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0669","0.0452","","","0.0762","0.0828","","","","","","1.029","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156044","6.7649","0.0002","12.8471","0.0004","24.6221","0.0007","82.354","0.002","86.293","0.002","88.097","0.002","2115.77","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 I O4 -","- C25 H21 I O4 -","- C100 H84 I4 O16 -","4","2","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.0804","0.0483","","","0.0806","0.0899","","","","","","1.014","","","","has coordinates","230884","2020-10-21","18:00:00",""
"7156045","27.2601","0.0008","10.403","0.0003","26.2305","0.0007","90","","90.833","0.002","90","","7437.8","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C384 H352 O48 -","16","4","","Shoji, Taku; Tanaka, Miwa; Takagaki, Sho; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azulene-substituted benzofurans and isocoumarins via intramolecular cyclization of 1-ethynylazulenes, and their structural and optical properties.","Organic & biomolecular chemistry","2018","16","3","480","489","10.1039/c7ob02861j","","","0.71075","MoKα","","0.146","0.0885","","","0.2033","0.2379","","","","","","1.058","","","","has coordinates,has disorder","230884","2020-10-21","18:00:00",""
"7156046","7.7672","0.0002","9.3611","0.0003","19.2665","0.0006","90","","90","","90","","1400.86","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","1.54178","CuKα","","0.0484","0.0448","","","0.1198","0.1238","","","","","","1.061","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156047","33.616","0.0019","7.9053","0.0004","11.1852","0.0007","90","","91.38","0.002","90","","2971.5","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H43 N O4 Si -","- C27 H43 N O4 Si -","- C108 H172 N4 O16 Si4 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","0.71073","MoKα","","0.0538","0.0449","","","0.127","0.1375","","","","","","1.008","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156048","18.502","0.003","7.545","0.0013","14.387","0.002","90","","119.633","0.003","90","","1745.7","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Li, Kun; Zhu, Fu-Lin; Liu, Zhen-Ting; Tong, Jing; Hu, Xiang-Ping","Decarboxylation-promoted Pd-catalyzed asymmetric propargylic [3 + 2] annulation for the enantioselective construction of a quaternary stereocenter in 2,3-dihydrofurans.","Organic & biomolecular chemistry","2018","16","5","742","749","10.1039/c7ob02778h","","","0.71073","MoKα","","0.0568","0.0419","","","0.1067","0.1143","","","","","","0.985","","","","has coordinates","230673","2020-10-21","18:00:00",""
"7156049","15.4159","0.0007","16.6808","0.0009","17.397","0.0006","90","","106.212","0.004","90","","4295.7","0.3","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C192 H256 O32 -","16","4","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0909","0.0493","","","0.117","0.1397","","","","","","1.016","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156050","7.3633","0.0006","8.6583","0.0008","9.2145","0.0009","95.128","0.008","98.931","0.008","111.272","0.008","533.98","0.09","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0637","0.0455","","","0.1011","0.1131","","","","","","1.034","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156051","15.0329","0.0006","7.9949","0.0003","11.4441","0.0006","90","","97.344","0.004","90","","1364.14","0.1","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Meng, Zhe; Liu, Bo","Total synthesis of five natural eremophilane-type sesquiterpenoids.","Organic & biomolecular chemistry","2018","16","6","957","962","10.1039/c7ob02769a","","x-ray","0.71073","MoKα","","0.0746","0.0487","","","0.1132","0.1303","","","","","","1.038","","","","has coordinates","230719","2020-10-21","18:00:00",""
"7156052","10.7257","0.0002","11.3249","0.0002","39.4835","0.0005","90","","90","","90","","4795.96","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro-rhombimine","","","- C54 H60 N4 O8 -","- C54 H60 N4 O8 -","- C216 H240 N16 O32 -","4","1","","Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.","Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.","Organic & biomolecular chemistry","2018","16","6","981","987","10.1039/c7ob02672b","","","1.54184","CuKα","","0.0504","0.0492","","","0.1325","0.1335","","","","","","1.069","","","","has coordinates","230723","2020-10-21","18:00:00",""
"7156053","11.2591","0.0007","10.2596","0.0005","19.9617","0.0011","90","","91.988","0.002","90","","2304.5","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shang, Xinye; Liu, Kun; Zhang, Zhongyin; Xu, Xianhong; Li, Pengfei; Li, Wenjun","Direct access to spirobiisoxazoline via the double 1,3-dipolar cycloaddition of nitrile oxide with allenoate.","Organic & biomolecular chemistry","2018","16","6","895","898","10.1039/c7ob03040a","","x-ray","0.71073","MoKα","","0.086","0.0488","","","0.0981","0.1116","","","","","","1.031","","","","has coordinates","230722","2020-10-21","18:00:00",""
"7156054","9.608","0.004","9.984","0.005","28.09","0.013","90","","90","","90","","2695","2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Br F N3 O4 -","- C31 H23 Br F N3 O4 -","- C124 H92 Br4 F4 N12 O16 -","4","1","","Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin","Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.","Organic & biomolecular chemistry","2018","16","5","807","815","10.1039/c7ob03051g","","","0.71073","MoKα","","0.0573","0.0521","","","0.1377","0.1414","","","","","","1.026","","","","has coordinates","230675","2020-10-21","18:00:00",""
"7156055","9.6421","0.0008","18.6118","0.0012","20.0924","0.0014","90","","90","","90","","3605.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B N2 O3 -","- C43 H47 B N2 O3 -","- C172 H188 B4 N8 O12 -","4","1","","Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.","The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.","Organic & biomolecular chemistry","2018","16","5","825","831","10.1039/c7ob02926h","","","0.71073","MoKα","","0.0697","0.049","","","0.0883","0.097","","","","","","1.034","","","","has coordinates","230669","2020-10-21","18:00:00",""
"7156056","9.7197","0.0006","12.3037","0.0005","19.686","0.0009","90","","90","","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(tosylamine)pyrrolidine","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D","Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.","Organic & biomolecular chemistry","2018","16","6","924","935","10.1039/c7ob02798b","","","0.71073","MoKα","","0.1471","0.0664","","","0.1025","0.1263","","","","","","0.994","","","","has coordinates","230724","2020-10-21","18:00:00",""
"7156057","14.565","0.003","11.48","0.002","24.047","0.005","90","","90","","90","","4020.8","1.4","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 I N O -","- C24 H20 I N O -","- C192 H160 I8 N8 O8 -","8","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0392","0.0364","","","0.0754","0.0766","","","","","","1.193","","","","has coordinates,has disorder","230718","2020-10-21","18:00:00",""
"7156058","12.79","0.004","14.85","0.005","12.068","0.004","90","","97.127","0.006","90","","2274.4","1.3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.1177","0.0982","","","0.1497","0.1567","","","","","","1.308","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156059","9.2532","0.0019","9.542","0.003","12.045","0.003","82.895","0.003","86.591","0.003","79.419","0.003","1036.7","0.5","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl I N O -","- C24 H19 Cl I N O -","- C48 H38 Cl2 I2 N2 O2 -","2","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0352","0.0339","","","0.0796","0.0805","","","","","","1.162","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156060","10.69","0.002","28.425","0.006","9.586","0.002","90","","111.155","0.003","90","","2716.5","1","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl2 N2 O2 -","- C33 H30 Cl2 N2 O2 -","- C132 H120 Cl8 N8 O8 -","4","1","","Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li","A catalyst-free intermolecular trans-iodoalkylation of alkynes.","Organic & biomolecular chemistry","2018","16","6","899","903","10.1039/c7ob03159a","","","0.71073","MoKα","","0.0607","0.0541","","","0.1238","0.1278","","","","","","1.096","","","","has coordinates","230718","2020-10-21","18:00:00",""
"7156061","13.368","0.005","7.287","0.002","14.142","0.005","90","","113.436","0.008","90","","1264","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-3,4-dichloro-2-(dimethylamino)-2-phenylbut-3-enenitrile","","- C12 H12 Cl2 N2 -","- C12 H12 Cl2 N2 -","- C48 H48 Cl8 N8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0545","0.0521","","","0.1343","0.1369","","","","","","1.061","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156062","6.1663","0.0008","12.6929","0.0011","17.4233","0.0015","90","","90","","90","","1363.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0331","0.0316","","","0.0825","0.0853","","","","","","1.054","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156063","8.087","0.004","6.124","0.004","13.998","0.007","90","","91.49","0.009","90","","693","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C34 H22 Cl2 O4 -","2","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0395","0.0328","","","0.0829","0.0866","","","","","","1.144","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156064","8.858","0.003","11.306","0.005","27.121","0.011","90","","90","","90","","2716.1","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C128 H104 Cl8 O16 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0391","0.036","","","0.1193","0.123","","","","","","1.068","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156065","8.8054","0.0008","11.6093","0.0011","26.7629","0.0015","90","","90","","90","","2735.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-2-chloro-3-(4-methylphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O -","- C16 H13 Cl O -","- C128 H104 Cl8 O8 -","8","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0436","0.0408","","","0.1088","0.1132","","","","","","1.057","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156066","14.28","0.02","9.823","0.014","9.912","0.014","90","","98.27","0.02","90","","1376","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-chloro-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-one","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C64 H52 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0534","0.0481","","","0.1886","0.1976","","","","","","1.685","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156067","29.849","0.0002","7.002","0.0002","7.688","0.0008","90","","90","","90","","1606.81","0.17","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Marek135 (Jian Qiang Huang)","","","- C16 H13 Br F N O4 -","- C16 H13 Br F N O4 -","- C64 H52 Br4 F4 N4 O16 -","4","1","","Huang, Jian Qiang; Nairoukh, Zackaria; Marek, Ilan","Electrophilic fluorination of stereodefined disubstituted silyl ketene hemiaminals en route to tertiary α-fluorinated carbonyl derivatives.","Organic & biomolecular chemistry","2018","16","7","1079","1082","10.1039/c8ob00067k","","","0.71073","MoKα","","0.058","0.0485","","","0.1317","0.1449","","","","","","1.122","","","","has coordinates","230796","2020-10-21","18:00:00",""
"7156068","12.091","0.004","12.635","0.005","25.986","0.01","90","","92.324","0.014","90","","3967","3","273.15","","273.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(Z)-4-((2,4-dimethoxypyrimidin-5-yl)(phenyl)methylene)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C184 H168 N24 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.1165","0.0563","","","0.1404","0.1729","","","","","","1.038","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156069","10.117","0.003","13.923","0.004","12.307","0.004","90","","99.313","0.002","90","","1710.7","0.9","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","isoquinolin-4-yldiphenylmethanol","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.067","0.0458","","","0.1019","0.1131","","","","","","1.032","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156070","6.6454","0.0002","8.8659","0.0004","15.1694","0.0005","94.198","0.003","102.08","0.002","102.439","0.002","846.86","0.06","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","4-benzhydrylisoquinolin-1(2H)-one","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0743","0.0458","","","0.1258","0.1416","","","","","","0.996","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156071","20.649","0.0017","10.8202","0.0008","20.1324","0.0017","90","","126.199","0.002","90","","3629.8","0.5","273","2","273.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-methyl-4-(3-oxo-1-phenyl-1,3-dihydroisobenzofuran-1-yl)isoquinolin-1(2H)-one","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C192 H136 N8 O24 -","8","1","","Mondal, Amrita; Kundu, Priyanka; Jash, Moumita; Chowdhury, Chinmay","Palladium-catalysed stereoselective synthesis of 4-(diarylmethylidene)-3,4-dihydroisoquinolin-1(2H)-ones: expedient access to 4-substituted isoquinolin-1(2H)-ones and isoquinolines.","Organic & biomolecular chemistry","2018","16","6","963","980","10.1039/c7ob02788e","","","0.71073","MoKα","","0.0773","0.0405","","","0.1194","0.162","","","","","","1.035","","","","has coordinates","230720","2020-10-21","18:00:00",""
"7156072","20.704","0.0019","20.704","0.0019","7.2027","0.0007","90","","90","","90","","3087.5","0.5","133","2","133.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C144 H192 O32 -","16","","","Yujie, Zhu; Huo, Jing qian; Fan, Zhijin; Wu, Qifan; Xiang, Li; Shuang, Zhou; Xiong, Lixia; Tatiana, Kalinina; Tania, Gluhareva","Efficient construction of bioactive trans-5A5B6C spirolactones via bicyclo[4.3.0] α-hydroxyketones","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C7OB02701J","","","0.71073","MoKα","","0.0419","0.034","","","0.0837","0.0892","","","","","","1.041","","","","has coordinates","205398","2020-10-21","18:00:00",""
"7156073","14.9764","0.0004","6.8786","0.0002","19.4161","0.0004","90","","90","","90","","2000.18","0.09","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H18 F3 N3 O4 -","- C21 H18 F3 N3 O4 -","- C84 H72 F12 N12 O16 -","4","0.5","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0468","0.0391","","","0.1106","0.1151","","","","","","1.093","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156074","15.5438","0.0003","7.15478","0.00011","23.2224","0.0004","90","","90","","90","","2582.62","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","trans-1-(p-Totyl)-3-trifluoromethyl-3a,4,5,6a-tetrahydro-1H-furo[2,3-c]pyrazole","","- C13 H13 F3 N2 O -","- C13 H13 F3 N2 O -","- C104 H104 F24 N16 O8 -","8","1","","Utecht, Greta; Fruziński, Andrzej; Jasiński, Marcin","Polysubstituted 3-trifluoromethylpyrazoles: regioselective (3 + 2)-cycloaddition of trifluoroacetonitrile imines with enol ethers and functional group transformations.","Organic & biomolecular chemistry","2018","16","8","1252","1257","10.1039/c7ob03126b","","x-ray","1.54184","CuKα","","0.0454","0.039","","","0.101","0.1049","","","","","","1.076","","","","has coordinates,has disorder","230644","2020-10-21","18:00:00",""
"7156075","15.05","0.0015","15.9438","0.0016","15.0274","0.0015","90","","113.382","0.002","90","","3309.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl N2 O8 -","- C37 H35 Cl N2 O8 -","- C148 H140 Cl4 N8 O32 -","4","1","","Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin","Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.","Organic & biomolecular chemistry","2018","16","8","1297","1304","10.1039/c7ob03009f","","","0.71073","MoKα","","0.0506","0.041","","","0.1064","0.1126","","","","","","1.026","","","","has coordinates","230646","2020-10-21","18:00:00",""
"7156076","6.3278","0.0005","13.3923","0.001","18.8088","0.0014","90","","90","","90","","1593.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C80 H52 Cl4 N8 O4 -","4","1","","Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi","Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.","Organic & biomolecular chemistry","2018","16","8","1330","1336","10.1039/c7ob02750h","","","0.71073","MoKα","","0.0676","0.0425","","","0.0744","0.0841","","","","","","0.992","","","","has coordinates","230645","2020-10-21","18:00:00",""
"7156077","8.791","0.0001","8.791","0.0001","38.3254","0.0008","90","","90","","90","","2961.85","0.08","100","2","100","0.14","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C96 H128 N16 O64 S8 -","8","1","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0519","0.0465","","","0.1111","0.1146","","","","","","1.042","","","","has coordinates","230648","2020-10-21","18:00:00",""
"7156078","9.0606","0.0003","10.3676","0.0002","16.4849","0.0004","82.4953","0.0019","85.481","0.002","74.878","0.002","1480.49","0.07","100","2","100","0.14","","","","","","","","5","P 1","P 1","1","","","","- C12 H16 N2 O8 S -","- C12 H16 N2 O8 S -","- C48 H64 N8 O32 S4 -","4","4","","Vejlegaard, Kim; Wegeberg, Christina; McKee, Vickie; Wengel, Jesper","Novel conformationally constrained 2'-C-methylribonucleosides: synthesis and incorporation into oligonucleotides.","Organic & biomolecular chemistry","2018","16","8","1312","1321","10.1039/c7ob02663c","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1383","0.1461","","","","","","1.054","","","","has coordinates,has disorder","230648","2020-10-21","18:00:00",""
"7156079","5.9509","0.0012","7.1789","0.0012","16.121","0.004","90","","90.821","0.018","90","","688.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S)-1-phenylethyl (2R)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.1041","0.083","","","0.2308","0.256","","","","","","1.096","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156080","5.9238","0.0001","7.1787","0.0001","16.1585","0.0003","90","","90.8223","0.0008","90","","687.07","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R)-1-phenylethyl (2S)-2-{[(carbamoylamino)oxy]methyl}oxirane-2-carboxylate","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C26 H32 N4 O10 -","2","1","","Ahn, Yeong-Chan; Fischer, Conrad; van Belkum, Marco J.; Vederas, John C.","PLP-independent racemization: mechanistic and mutational studies of O-ureidoserine racemase (DcsC).","Organic & biomolecular chemistry","2018","16","7","1126","1133","10.1039/c7ob03013d","","","1.54178","CuKα","","0.0276","0.0268","","","0.0722","0.0729","","","","","","1.025","","","","has coordinates","230795","2020-10-21","18:00:00",""
"7156081","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galia6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0456","0.0384","","","0.0931","0.0958","","","","","","1.069","","","","has coordinates","230800","2020-10-21","18:00:00",""
"7156082","11.243","0.002","30.552","0.007","7.3019","0.0016","90","","90","","90","","2508.2","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","methyl 4-(1-hydroxy-4-(trifluoromethyl)-1H-pyrrol-2-yl)benzoate","","- C13 H10 F3 N O3 -","- C13 H10 F3 N O3 -","- C104 H80 F24 N8 O24 -","8","1","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.1248","0.0565","","","0.1321","0.1726","","","","","","1.018","","","","has coordinates","230642","2020-10-21","18:00:00",""
"7156083","14.0956","0.0005","11.3444","0.0004","19.9859","0.0005","90","","134.705","0.002","90","","2271.42","0.15","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","4-((4-(trifluoromethyl)isoxazol-5-yl)methyl)benzonitrile","","- C12 H7 F3 N2 O -","- C12 H7 F3 N2 O -","- C96 H56 F24 N16 O8 -","8","2","","Zeng, Qin; Zhang, Li; Xiao, Yuanjing; Zhang, Junliang","Divergent access to N-hydroxypyrroles and isoxazoles via the gold(i)- or Brønsted acid-catalysed regioselective cyclization of N-(2-trifluoromethyl-3-alkynyl) oximes.","Organic & biomolecular chemistry","2018","16","8","1375","1380","10.1039/c7ob03107f","","","0.71073","MoKα","","0.0472","0.0343","","","0.0783","0.0862","","","","","","1.02","","","","has coordinates,has disorder","230642","2020-10-21","18:00:00",""
"7156084","11.476","0.0007","10.3255","0.0009","12.5157","0.0012","90","","95.523","0.008","90","","1476.2","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl F3 N3 -","- C26 H19 Cl F3 N3 -","- C52 H38 Cl2 F6 N6 -","2","1","","Rahman, Abdul; Xie, En; Lin, Xufeng","Organocatalytic asymmetric synthesis of benzazepinoindole derivatives with trifluoromethylated quaternary stereocenters by chiral phosphoric acid catalysts.","Organic & biomolecular chemistry","2018","16","8","1367","1374","10.1039/c8ob00055g","","","0.71073","MoKα","","0.0741","0.047","","","0.0917","0.1035","","","","","","0.939","","","","has coordinates","230647","2020-10-21","18:00:00",""
"7156085","7.424","0.0004","8.7348","0.0005","10.9347","0.0006","87.855","0.001","80.444","0.001","88.215","0.001","698.53","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.0458","0.0397","","","0.1079","0.1142","","","","","","1.033","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156086","10.4839","0.0007","13.1593","0.001","21.3419","0.0015","90","","103.329","0.002","90","","2865","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","2","","Peter, Clovis; Geoffroy, Philippe; Miesch, Michel","Intramolecular Morita-Baylis-Hillman reaction as a strategy for the construction of tricyclic sesquiterpene cores.","Organic & biomolecular chemistry","2018","16","8","1381","1389","10.1039/c7ob03124f","","","0.71073","MoKα","","0.1224","0.0729","","","0.1384","0.16","","","","","","1.029","","","","has coordinates","230643","2020-10-21","18:00:00",""
"7156087","7.6576","0.0013","10.1949","0.0014","10.3237","0.0015","115.042","0.004","92.445","0.005","108.132","0.004","679.55","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cl F N2 O -","- C16 H10 Cl F N2 O -","- C32 H20 Cl2 F2 N4 O2 -","2","1","","Zhang, Yingchao; Wen, Chunxia; Li, Jizhen","C5-Regioselective C-H fluorination of 8-aminoquinoline amides and sulfonamides with Selectfluor under metal-free conditions.","Organic & biomolecular chemistry","2018","16","11","1912","1920","10.1039/c7ob03059b","","","0.71073","MoKα","","0.0645","0.0461","","","0.1166","0.1329","","","","","","1.044","","","","has coordinates","230866","2020-10-21","18:00:00",""
"7156088","13.672","0.003","17.459","0.004","23.66","0.005","90","","92.451","0.003","90","","5642","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O2 -","- C32 H28 N2 O2 -","- C256 H224 N16 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.1154","0.0721","","","0.2058","0.2453","","","","","","1.013","","","","has coordinates,has disorder","230798","2020-10-21","18:00:00",""
"7156089","14.9636","0.0017","12.2439","0.0014","33.362","0.004","90","","96.5","0.002","90","","6073.1","1.2","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C36 H35 N3 O2 -","- C36 H35 N3 O2 -","- C288 H280 N24 O16 -","8","2","","Wan, Ying; Wang, Hai-Qing; Xu, Meng-Meng; Mei, Guang-Jian; Shi, Feng","Direct C3-arylations of 2-indolylmethanols with tryptamines and tryptophols via an umpolung strategy.","Organic & biomolecular chemistry","2018","16","9","1536","1542","10.1039/c7ob03182c","","","0.71073","MoKα","","0.125","0.048","","","0.083","0.1171","","","","","","0.969","","","","has coordinates","230798","2020-10-21","18:00:00",""
"7156090","7.8606","0.0002","8.5158","0.0002","18.6068","0.0004","90","","98.771","0.001","90","","1230.96","0.05","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0581","0.0439","","","0.1087","0.1199","","","","","","1.029","","","","has coordinates,has disorder","230799","2020-10-21","18:00:00",""
"7156091","6.9263","0.0001","8.7238","0.0001","22.5349","0.0004","90","","95.292","0.001","90","","1355.84","0.03","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F3 N2 O -","- C15 H15 F3 N2 O -","- C60 H60 F12 N8 O4 -","4","1","","Achary, Raghavendra; Mathi, Gangadhar Rao; Kim, Seulgi; Hwang, Jong Yeon; Kim, Pilho","Grignard-mediated rearrangement of trifluoroacetyl from dihydroisoquinoline enamides to afford tertiary trifluoromethylcarbinols.","Organic & biomolecular chemistry","2018","16","9","1452","1456","10.1039/c7ob03079g","","","0.71073","MoKα","","0.0382","0.0347","","","0.0847","0.0876","","","","","","1.067","","","","has coordinates","230799","2020-10-21","18:00:00",""
"7156092","10.474","0.005","10.511","0.005","13.935","0.006","87.432","0.008","75.479","0.007","71.405","0.008","1406.6","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.1034","0.0806","","","0.2169","0.2391","","","","","","0.992","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156093","9.8683","0.0007","10.505","0.0008","10.8101","0.0008","110.935","0.002","95.718","0.002","105.727","0.002","983.13","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Li, Xiao-Fang; Zhang, Xing-Guo; Hu, Bo-Lun; Zhang, Xiao-Hong","Palladium-catalyzed dimerization of N-aryl propargylamines for the synthesis of 3-vinylquinolines.","Organic & biomolecular chemistry","2018","16","10","1736","1744","10.1039/c8ob00133b","","","0.71073","MoKα","","0.0642","0.0442","","","0.1359","0.1514","","","","","","1.084","","","","has coordinates","230593","2020-10-21","18:00:00",""
"7156094","15.4619","0.0009","9.5378","0.0005","22.6171","0.0012","90","","92.5215","0.0013","90","","3332.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 N6 O6 S6 -","- C26 H38 N6 O6 S6 -","- C104 H152 N24 O24 S24 -","4","0.5","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.0326","0.0275","","","0.0675","0.0702","","","","","","1.099","","","","has coordinates","230793","2020-10-21","18:00:00",""
"7156095","19.763","0.002","21.594","0.002","33.712","0.004","90","","90","","90","","14387","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124.4 H156.62 N20 O25.4 S16.2 -","- C124.4 H156.62 N20 O25.4 S16.2 -","- C497.6 H626.48 N80 O101.6 S64.8 -","4","1","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.1545","0.0964","","","0.2197","0.2599","","","","","","1.091","","","","has coordinates,has disorder","230793","2020-10-21","18:00:00",""
"7156096","12.0777","0.0004","21.0362","0.0006","14.3712","0.0005","90","","107.602","0.003","90","","3480.3","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N4 O7 -","- C31 H47.5 N4 O7 -","- C124 H190 N16 O28 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.1003","0.0828","","","0.2174","0.236","","","","","","1.059","","","","has coordinates","230594","2020-10-21","18:00:00",""
"7156097","10.958","0.002","16.851","0.003","18.872","0.004","90","","101.84","0.03","90","","3410.6","1.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H50 N4 O9 -","- C31 H50 N4 O9 -","- C124 H200 N16 O36 -","4","2","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0367","0.0363","","","0.0962","0.0964","","","","","","1.045","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156098","20.8114","0.0001","12.8324","0.0001","23.6124","0.0002","90","","100.846","0.001","90","","6193.29","0.08","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C112 H199 N16 O28 -","- C112 H199 N16 O28 -","- C224 H398 N32 O56 -","2","1","","Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.","Understanding the conformational analysis of gababutin based hybrid peptides.","Organic & biomolecular chemistry","2018","16","10","1728","1735","10.1039/c8ob00035b","","","1.54178","CuKα","","0.0803","0.08","","","0.2351","0.2355","","","","","","1.064","","","","has coordinates,has disorder","230594","2020-10-21","18:00:00",""
"7156099","7.6656","0.0016","19.475","0.004","10.707","0.002","90","","93.755","0.004","90","","1595","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O4 S -","- C17 H14 N2 O4 S -","- C68 H56 N8 O16 S4 -","4","1","","Zeng, Fanxun; Zhang, Letian; Shao, Xusheng; Li, Zhong; Xu, Xiaoyong","Catalyst-free synthesis of thiazolidines via sequential hydrolysis/rearrangement reactions of 5-arylidenethiazolidin-4-ones at room temperature.","Organic & biomolecular chemistry","2018","16","11","1932","1938","10.1039/c7ob02924a","","","0.71073","MoKα","","0.0607","0.0483","","","0.1196","0.1268","","","","","","1.053","","","","has coordinates","230867","2020-10-21","18:00:00",""
"7156100","8.576","0.0001","9.059","0.0001","16.3","0.0003","81.049","0.001","89.263","0.001","78.661","0.001","1226.3","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 Co2 O9 -","- C25 H22 Co2 O9 -","- C50 H44 Co4 O18 -","2","1","","Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele","Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products.","Organic & biomolecular chemistry","2018","16","9","1557","1580","10.1039/c8ob00194d","","","0.71073","MoKα","","0.0448","0.0305","","","0.0712","0.0763","","","","","","1.012","","","","has coordinates","230802","2020-10-21","18:00:00",""
"7156101","8.1795","0.0014","11.924","0.007","14.235","0.002","108.105","0.0016","96.245","0.0016","108.712","0.0015","1215.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N O2 -","- C32 H23 N O2 -","- C64 H46 N2 O4 -","2","1","","Wang, Wenhui; Sun, Jinwei; Hu, Huayou; Liu, Yun","Copper-catalyzed aerobic cyclizations of tetrahydroisoquinolines with bromoketones and alkenes for the synthesis of 5,6-dihydropyrrolo[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2018","16","10","1651","1658","10.1039/c7ob03048g","","","0.71073","MoKα","","0.0886","0.0517","","","0.1056","0.1145","","","","","","0.991","","","","has coordinates","230588","2020-10-21","18:00:00",""
"7156102","8.8729","0.0011","9.3458","0.0012","10.6991","0.0014","68.971","0.001","88.64","0.001","69.793","0.001","772.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Cl N2 O2 -","- C20 H11 Cl N2 O2 -","- C40 H22 Cl2 N4 O4 -","2","1","","Zhang, Yan; Liu, Jian-Quan; Wang, Xiang-Shan","An efficient synthesis of 16H-dibenzo[2,3:6,7][1,4]oxazepino[5,4-b]quinazolin-16-ones via an Ullmann reaction catalyzed by CuI.","Organic & biomolecular chemistry","2018","16","10","1679","1685","10.1039/c8ob00005k","","","0.71073","MoKα","","0.0432","0.0356","","","0.0913","0.0961","","","","","","1.048","","","","has coordinates","230586","2020-10-21","18:00:00",""
"7156103","9.584","0.005","9.866","0.004","11.366","0.006","80.384","0.009","84.059","0.012","66.028","0.01","967.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H13 Cl F3 N3 O -","- C23 H13 Cl F3 N3 O -","- C46 H26 Cl2 F6 N6 O2 -","2","1","","Donthiboina, Kavitha; Namballa, Hari Krishna; Shaik, Siddiq Pasha; Nanubolu, Jagadeesh Babu; Shankaraiah, Nagula; Kamal, Ahmed","Iodine promoted dual oxidative C(sp<sup>3</sup>)-H amination of 2-methyl-3-arylquinazolin-4(3H)-ones: a facile route to 1,4-diarylimidazo[1,5-a]quinazolin-5(4H)-ones.","Organic & biomolecular chemistry","2018","16","10","1720","1727","10.1039/c7ob02677c","","","0.71073","MoKα","","0.0515","0.0424","","","0.1173","0.1245","","","","","","1.047","","","","has coordinates","230585","2020-10-21","18:00:00",""
"7156104","4.7875","0.0004","10.5072","0.0009","14.2488","0.0015","71.68","0.009","88.646","0.008","76.869","0.007","661.76","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H8 F3 N O3 S -","- C13 H8 F3 N O3 S -","- C26 H16 F6 N2 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.1408","0.118","","","0.2534","0.2653","","","","","","1.334","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156105","12.2391","0.0003","8.0497","0.0002","13.6415","0.0004","90","","91.602","0.002","90","","1343.45","0.06","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H7 F3 O4 S -","- C15 H7 F3 O4 S -","- C60 H28 F12 O16 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0743","0.066","","","0.1733","0.1861","","","","","","1.066","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156106","9.0948","0.0007","20.0144","0.0016","7.8362","0.0006","90","","106.353","0.009","90","","1368.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C68 H48 O12 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0754","0.0546","","","0.1575","0.1666","","","","","","0.972","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156107","8.0423","0.0004","8.0926","0.0005","9.4378","0.0006","68.147","0.006","84.221","0.005","72.377","0.005","543.3","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F3 O3 S -","- C11 H5 F3 O3 S -","- C22 H10 F6 O6 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0503","0.0392","","","0.0973","0.1055","","","","","","1.04","","","","has coordinates,has disorder","230590","2020-10-21","18:00:00",""
"7156108","7.8595","0.0005","7.9836","0.0005","12.2941","0.0007","89.939","0.005","74.827","0.005","68.477","0.006","688.73","0.08","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 Br O2 S -","- C16 H9 Br O2 S -","- C32 H18 Br2 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0889","0.0426","","","0.0711","0.0846","","","","","","1.029","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156109","4.6767","0.0001","19.3071","0.0003","14.5648","0.0002","90","","97.949","0.001","90","","1302.47","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 F6 O2 S2 -","- C12 H4 F6 O2 S2 -","- C48 H16 F24 O8 S8 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.042","0.0347","","","0.0874","0.0937","","","","","","1.049","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156110","7.4794","0.0007","7.9785","0.0008","11.9788","0.001","95.823","0.008","102.31","0.008","113.691","0.009","625.39","0.12","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H7 F3 O2 S -","- C15 H7 F3 O2 S -","- C30 H14 F6 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0589","0.0393","","","0.0892","0.1","","","","","","1.069","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156111","14.5769","0.0004","11.1576","0.0002","31.0437","0.0007","90","","102.048","0.002","90","","4937.8","0.2","200","2","200","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 F3 O3 S -","- C13 H9 F3 O3 S -","- C208 H144 F48 O48 S16 -","16","2","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","1.54184","CuKα","","0.0933","0.083","","","0.2014","0.2103","","","","","","1.026","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156112","7.2227","0.0006","8.4064","0.0007","12.3348","0.0009","75.046","0.007","76.516","0.007","66.783","0.008","657.64","0.1","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O2 S -","- C17 H12 O2 S -","- C34 H24 O4 S2 -","2","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0562","0.0386","","","0.0848","0.0939","","","","","","1.036","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156113","19.2151","0.0006","7.8797","0.0002","7.1525","0.0002","90","","97.718","0.003","90","","1073.14","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 O2 S -","- C11 H5 F3 O2 S -","- C44 H20 F12 O8 S4 -","4","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0726","0.0658","","","0.1802","0.1866","","","","","","1.059","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156114","14.1466","0.0018","12.4232","0.0017","18.979","0.002","90","","90","","90","","3335.5","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O4 S -","- C21 H14 O4 S -","- C168 H112 O32 S8 -","8","1","","Jardim, Guilherme A. M.; Oliveira, Willian X. C.; de Freitas, Rossimiriam P.; Menna-Barreto, Rubem F S; Silva, Thaissa L.; Goulart, Marilia O. F.; da Silva Júnior, Eufrânio N","Direct sequential C-H iodination/organoyl-thiolation for the benzenoid A-ring modification of quinonoid deactivated systems: a new protocol for potent trypanocidal quinones.","Organic & biomolecular chemistry","2018","16","10","1686","1691","10.1039/c8ob00196k","","","0.71073","MoKα","","0.0791","0.0445","","","0.0958","0.1137","","","","","","1.047","","","","has coordinates","230590","2020-10-21","18:00:00",""
"7156115","17.823","0.002","6.9975","0.0007","27.834","0.004","90","","100.799","0.005","90","","3409.9","0.7","150","","150","","","","","","","","synthesis as described","3","C 1 2 1","C 2y","5","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Henrion, S.; Macé, A; Vallejos, M. M.; Roisnel, T.; Carboni, B.; Villalgordo, J. M.; Carreaux, F.","Asymmetric synthesis of trans-4,5-disubstituted γ-butyrolactones involving a key allylboration step. First access to (-)-nicotlactone B and (-)-galbacin.","Organic & biomolecular chemistry","2018","16","10","1672","1678","10.1039/c8ob00101d","","x-ray","0.71073","MoKα","","0.0723","0.0468","","","0.101","0.1107","","","","","","1.024","","","","has coordinates","230595","2020-10-21","18:00:00",""
"7156116","7.5946","0.0003","13.4938","0.0006","15.8269","0.0007","90","","90","","90","","1621.94","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans.","Organic & biomolecular chemistry","2018","16","9","1598","1608","10.1039/c8ob00078f","","","0.71073","MoKα","","0.0577","0.0433","","","0.1073","0.1193","","","","","","0.991","","","","has coordinates","230801","2020-10-21","18:00:00",""
"7156117","21.1","0.0011","23.1109","0.0012","23.201","0.0012","90","","112.784","0.002","90","","10430.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H56 N4 O12 -","- C55 H56 N4 O12 -","- C440 H448 N32 O96 -","8","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.0962","0.0532","","","0.1427","0.1586","","","","","","1.069","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156118","11.9894","0.0006","21.2887","0.001","21.7173","0.0011","90","","93.3","0.002","90","","5533.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H68 N4 O12 -","- C61 H68 N4 O12 -","- C244 H272 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1511","0.0521","","","0.1071","0.1492","","","","","","0.995","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156119","20.9082","0.0003","23.7424","0.0004","23.9838","0.0004","90","","90","","90","","11905.8","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C63 H68 N6 O12 -","- C63 H68 N6 O12 -","- C504 H544 N48 O96 -","8","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.1236","0.1012","","","0.3309","0.3593","","","","","","1.436","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156120","12.346","0.0005","19.5371","0.0007","22.8661","0.0009","106.561","0.001","102.458","0.001","97.147","0.001","5059.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H60 N4 O12 -","- C57 H60 N4 O12 -","- C228 H240 N16 O48 -","4","2","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1031","0.058","","","0.1453","0.1776","","","","","","1.029","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156121","11.0365","0.0007","16.7007","0.001","17.2058","0.001","93.872","0.002","92.106","0.002","108.051","0.002","3002.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H68 Cl4 N4 O12 -","- C61 H68 Cl4 N4 O12 -","- C122 H136 Cl8 N8 O24 -","2","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","","0.71073","MoKα","","0.1276","0.0896","","","0.2567","0.2999","","","","","","1.018","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156122","11.5406","0.0001","19.4516","0.0002","23.9649","0.0002","90","","101.455","0.001","90","","5272.56","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 N4 O12 -","- C59 H64 N4 O12 -","- C236 H256 N16 O48 -","4","1","","Yang, Ya-Fen; Hu, Wei-Bo; Shi, Lei; Li, Sheng-Gang; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke","Guest-regulated chirality switching of planar chiral pseudo[1]catenanes.","Organic & biomolecular chemistry","2018","16","12","2028","2032","10.1039/c8ob00156a","","x-ray","1.54184","CuKα","","0.0522","0.0436","","","0.1176","0.1226","","","","","","1.042","","","","has coordinates","230879","2020-10-21","18:00:00",""
"7156123","13.1925","0.0012","13.3019","0.0012","7.7183","0.0007","90","","100.757","0.001","90","","1330.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 F3 O4 S -","- C13 H9 F3 O4 S -","- C52 H36 F12 O16 S4 -","4","1","","Wang, Yajun; Wu, Rui; Zhao, Shijun; Quan, Zhengjun; Su, Yingpeng; Huo, Congde","Air promoted annulation of thiophenols with alkynes leading to benzothiophenes.","Organic & biomolecular chemistry","2018","16","10","1667","1671","10.1039/c8ob00010g","","","0.71073","MoKα","","0.0496","0.0448","","","0.1386","0.1462","","","","","","1","","","","has coordinates","230589","2020-10-21","18:00:00",""
"7156124","8.16871","0.00017","8.25025","0.00017","23.3395","0.0004","90","","90","","90","","1572.94","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O7 -","- C17 H22 O7 -","- C68 H88 O28 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0408","0.0405","","","0.108","0.1086","","","","","","1.049","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156125","23.0565","0.001","6.6594","0.0002","26.3805","0.0011","90","","117.81","0.006","90","","3582.7","0.3","173","0.1","173","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H68 O4 -","- C40 H68 O4 -","- C160 H272 O16 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0658","0.056","","","0.1325","0.1416","","","","","","1.002","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156126","10.4093","0.0012","6.2017","0.0007","15.4242","0.0017","90","","92.398","0.002","90","","994.84","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Zhu, Yanshuo; Guo, Jia; Jin, Shaojing; Guo, Jiaomei; Bai, Xuguan; Wang, Qilin; Bu, Zhanwei","Construction of bridged cyclic N,O-ketal spirooxindoles through a Michael addition/N,O-ketalization sequence.","Organic & biomolecular chemistry","2018","16","10","1751","1759","10.1039/c8ob00306h","","","0.71073","MoKα","","0.0366","0.0345","","","0.0878","0.0895","","","","","","1.002","","","","has coordinates","230591","2020-10-21","18:00:00",""
"7156127","11.3575","0.0004","12.9479","0.0006","15.7889","0.0005","81.909","0.003","88.938","0.003","72.873","0.003","2196.15","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","- C93 H88 N8 O19 S4 -","1","1","","Wang, Zhen-Hua; You, Yong; Chen, Yong-Zheng; Xu, Xiao-Ying; Yuan, Wei-Cheng","An asymmetric organocatalytic vinylogous Mannich reaction of 3-methyl-5-arylfuran-2(3H)-ones with N-(2-pyridinesulfonyl) imines: enantioselective synthesis of δ-amino γ,γ-disubstituted butenolides.","Organic & biomolecular chemistry","2018","16","10","1636","1640","10.1039/c7ob03117c","","x-ray","1.54184","CuKα","","0.0528","0.0458","","","0.1139","0.1208","","","","","","1.026","","","","has coordinates,has disorder","230596","2020-10-21","18:00:00",""
"7156128","8.7419","0.0006","10.7719","0.0007","10.9487","0.0007","65.802","0.007","70.156","0.006","75.68","0.006","877.51","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 3'-(4- methoxyphenyl)-1',2-dimethyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C18 H20 N4 O3 -","- C18 H20 N4 O3 -","- C36 H40 N8 O6 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","0.71073","MoKα","","0.0856","0.0536","","","0.1565","0.1901","","","","","","1.009","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156129","8.521","0.005","10.998","0.005","23.489","0.01","90","","93.24","0.04","90","","2197.7","1.9","295","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","2","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0563","0.045","","","0.1162","0.125","","","","","","1.006","","","","has coordinates,has disorder","230587","2020-10-21","18:00:00",""
"7156130","8.803","0.006","10.863","0.006","12.961","0.011","84.4","0.06","71.46","0.07","80.99","0.05","1159.1","1.5","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 5'-(4-chlorophenyl)-1',2-diphenyl-1'H,2H-3,4'-bipyrazole-5-carboxylate","","- C27 H21 Cl N4 O2 -","- C27 H21 Cl N4 O2 -","- C54 H42 Cl2 N8 O4 -","2","1","","Obydennov, D. L.; Khammatova, L. R.; Eltsov, O. S.; Sosnovskikh, V. Y.","A chemo- and regiocontrolled approach to bipyrazoles and pyridones via the reaction of ethyl 5-acyl-4-pyrone-2-carboxylates with hydrazines.","Organic & biomolecular chemistry","2018","16","10","1692","1707","10.1039/c7ob02725g","","","1.54184","CuKα","","0.0599","0.0496","","","0.1287","0.1367","","","","","","1","","","","has coordinates","230587","2020-10-21","18:00:00",""
"7156131","8.9797","0.0002","17.5384","0.0003","9.3882","0.0002","90","","108.488","0.002","90","","1402.24","0.05","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 N3 -","- C18 H13 N3 -","- C72 H52 N12 -","4","1","","Guan, Qianqian; Sun, Qi; Wen, Lixian; Zha, Zhenggen; Yang, Yu; Wang, Zhiyong","The synthesis of benzimidazoles via a recycled palladium catalysed hydrogen transfer under mild conditions.","Organic & biomolecular chemistry","2018","16","12","2088","2096","10.1039/c8ob00323h","","","1.54184","CuKα","","0.0403","0.036","","","0.0983","0.1028","","","","","","1.036","","","","has coordinates","230877","2020-10-21","18:00:00",""
"7156132","13.917","0.003","10.417","0.002","16.611","0.004","90","","103.506","0.004","90","","2341.6","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Br N O Se -","- C27 H20 Br N O Se -","- C108 H80 Br4 N4 O4 Se4 -","4","1","","Li, Xiwang; He, Pei; Zhou, Hai-Bing; Dong, Chune","One-step pathway to selenoisobenzofuran-1(3H)-imine derivatives through highly selective selenocyclization of olefinic amides with benzeneselenyl chloride.","Organic & biomolecular chemistry","2018","16","12","2150","2155","10.1039/c8ob00179k","","","0.71073","MoKα","","0.1138","0.0522","","","0.1046","0.1282","","","","","","0.984","","","","has coordinates,has disorder","230876","2020-10-21","18:00:00",""
"7156133","5.77529","0.00012","22.1018","0.0005","14.0999","0.0003","90","","101.182","0.0019","90","","1765.61","0.07","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl F3 N3 O2 -","- C19 H13 Cl F3 N3 O2 -","- C76 H52 Cl4 F12 N12 O8 -","4","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0647","0.0605","","","0.1087","0.111","","","","","","1.118","","","","has coordinates,has disorder","230878","2020-10-21","18:00:00",""
"7156134","5.781","0.0002","8.5176","0.0003","11.7466","0.0004","102.453","0.003","90.5","0.002","98.113","0.002","558.69","0.03","295.6","0.2","295.6","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O2 -","- C11 H8 Cl N3 O2 -","- C22 H16 Cl2 N6 O4 -","2","1","","Lim, Bumhee; Park, Seunggun; Park, Jae Hyun; Gam, Jongsik; Kim, Sanghee; Yang, Jung Woon; Lee, Jeeyeon","A metal-free and mild approach to 1,3,4-oxadiazol-2(3H)-ones via oxidative C-C bond cleavage using molecular oxygen.","Organic & biomolecular chemistry","2018","16","12","2105","2113","10.1039/c7ob03188b","","x-ray","1.54184","CuKα","","0.0366","0.0345","","","0.0966","0.0989","","","","","","1.054","","","","has coordinates","230878","2020-10-21","18:00:00",""
"7156135","16.772","0.003","9.0637","0.0015","25.832","0.004","90","","90","","90","","3926.9","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C168 H232 N24 O24 -","8","1","","Wang, Hui; Fang, Bin; Zhou, Le; Li, Di; Kong, Lin; Uvdal, Kajsa; Hu, Zhangjun","A reversible and highly selective two-photon fluorescent ""on-off-on"" probe for biological Cu<sup>2+</sup> detection.","Organic & biomolecular chemistry","2018","16","13","2264","2268","10.1039/c8ob00257f","","","0.71073","MoKα","","0.0473","0.0365","","","0.0965","0.1026","","","","","","1.012","","","","has coordinates","230786","2020-10-21","18:00:00",""
"7156136","5.5524","0.0017","7.337","0.002","9.871","0.003","90","","91.581","0.007","90","","402","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H11 N3 O -","- C7 H11 N3 O -","- C14 H22 N6 O2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0478","0.0359","","","0.1198","0.1336","","","","","","1.038","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156137","10.523","0.005","10.046","0.005","11.683","0.005","90","0.005","103.959","0.005","90","0.005","1198.6","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H32 O3 Si -","- C26 H32 O3 Si -","- C52 H64 O6 Si2 -","2","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.0406","0.0352","","","0.0878","0.0917","","","","","","1.033","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156138","10.558","0.003","39.473","0.012","11.458","0.004","90","","90","","90","","4775","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H33 N3 O2 Si -","- C25 H33 N3 O2 Si -","- C200 H264 N24 O16 Si8 -","8","4","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.158","0.1078","","","0.2381","0.2781","","","","","","1.052","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156139","8.2816","0.0014","11.7445","0.0019","25.888","0.004","90","","90","","90","","2518","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.116","0.0568","","","0.1161","0.1396","","","","","","0.981","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156140","8.5588","0.0006","6.9137","0.0005","15.0132","0.0011","90","","99.591","0.002","90","","875.96","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl O -","- C20 H29 Cl O -","- C40 H58 Cl2 O2 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0487","0.0364","","","0.0829","0.0885","","","","","","1.019","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156141","7.5312","0.0003","20.9084","0.0008","21.2244","0.0009","90","","90","","90","","3342.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C152 H232 Cl8 O16 -","8","2","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0282","0.0265","","","0.0747","0.076","","","","","","1.199","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156142","13.2696","0.0016","7.0208","0.0008","28.171","0.003","90","","97.17","0.002","90","","2604","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H45 Cl O2 Si -","- C26 H45 Cl O2 Si -","- C104 H180 Cl4 O8 Si4 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0599","0.0576","","","0.1426","0.1434","","","","","","1.275","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156143","7.1254","0.0005","11.6665","0.0008","10.8645","0.0008","90","","103.497","0.002","90","","878.21","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C38 H58 Cl2 O4 -","2","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0565","0.0426","","","0.0935","0.1013","","","","","","0.988","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156144","7.4333","0.0017","13.538","0.003","16.411","0.004","90","","90","","90","","1651.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0316","0.0284","","","0.0711","0.0731","","","","","","1.045","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156145","11.149","0.002","11.921","0.002","18.456","0.004","90","","90","","90","","2452.9","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo","Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.","Organic & biomolecular chemistry","2018","16","13","2356","2361","10.1039/C8OB00231B","","","0.71073","MoKα","","0.0505","0.0459","","","0.1252","0.1304","","","","","","1.033","","","","has coordinates","230784","2020-10-21","18:00:00",""
"7156146","11.586","0.003","15.822","0.003","8.7845","0.0018","90","","97.997","0.008","90","","1594.7","0.6","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.1739","0.0683","","","0.1135","0.1401","","","","","","1.048","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156147","12.836","0.007","8.234","0.003","13.79","0.01","90","","117.679","0.017","90","","1290.7","1.3","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.0896","0.0595","","","0.1671","0.1884","","","","","","1.082","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156148","31.267","0.008","8.132","0.003","22.702","0.006","90","","90","","90","","5772","3","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C272 H224 N32 O16 S16 -","16","2","","Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde","Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.","Organic & biomolecular chemistry","2018","16","14","2456","2463","10.1039/C8OB00304A","","","0.71073","MoKα","","0.2036","0.0799","","","0.1818","0.2381","","","","","","1.036","","","","has coordinates","230790","2020-10-21","18:00:00",""
"7156149","11.9068","0.0006","10.5151","0.0005","18.2449","0.0008","90","","108.882","0.001","90","","2161.36","0.18","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl [(2,2-diphenyl-3,4-dihydro-2H-chromen-4-yl)methyl]malonate","","- C27 H26 O5 -","- C27 H26 O5 -","- C108 H104 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0438","0.0389","","","0.1026","0.1065","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156150","8.0373","0.0004","17.6384","0.0009","10.4852","0.0005","90","","97.079","0.001","90","","1475.1","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 2-[5-bromo-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C14 H15 Br O6 -","- C14 H15 Br O6 -","- C56 H60 Br4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0328","0.0255","","","0.0633","0.0662","","","","","","1.052","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156151","8.4387","0.0011","8.5555","0.0011","9.4816","0.0012","97.917","0.002","100.06","0.002","92.556","0.002","665.94","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-(5-bromo-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Br O5 -","- C13 H13 Br O5 -","- C26 H26 Br2 O10 -","2","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0337","0.0273","","","0.0643","0.067","","","","","","1.042","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156152","8.835","0.002","6.916","0.002","24.341","0.01","90","","90.48","0.03","90","","1487.3","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-chloro-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C15 H17 Cl O6 -","- C15 H17 Cl O6 -","- C60 H68 Cl4 O24 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0447","0.0314","","","0.0821","0.0886","","","","","","1.04","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156153","9.594","0.002","8.102","0.002","17.944","0.006","90","","104.5","0.02","90","","1350.4","0.6","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(5-chloro-2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H13 Cl O5 -","- C13 H13 Cl O5 -","- C52 H52 Cl4 O20 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0878","0.0456","","","0.115","0.133","","","","","","1.025","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156154","9.6172","0.0005","18.6822","0.001","10.3451","0.0005","90","","109.39","0.001","90","","1753.28","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-[5-bromo-3-methoxy-2-(methoxymethoxy)phenyl]cyclopropane-1,1-dicarboxylate","","- C16 H19 Br O7 -","- C16 H19 Br O7 -","- C64 H76 Br4 O28 -","4","1","","Ivanov, Konstantin L.; Bezzubov, Stanislav I.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Donor-acceptor cyclopropanes as ortho-quinone methide equivalents in formal (4 + 2)-cycloaddition to alkenes.","Organic & biomolecular chemistry","2018","16","21","3897","3909","10.1039/c8ob00377g","","","0.71073","MoKα","","0.0425","0.0338","","","0.0924","0.0969","","","","","","1.05","","","","has coordinates","230834","2020-10-21","18:00:00",""
"7156155","8.2614","0.0001","11.369","0.0002","10.8661","0.0002","90","","106.297","0.0004","90","","979.58","0.03","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H15 N3 O6 S -","- C21 H15 N3 O6 S -","- C42 H30 N6 O12 S2 -","2","1","","K, Nagarjuna Reddy; U, Subhadra; B, Sridhar; B V, Subba Reddy","Ru(ii)-Catalyzed spirocyclization of aryl N-sulfonyl ketimines with aryl isocyanates through an aromatic C-H bond activation.","Organic & biomolecular chemistry","2018","16","14","2522","2526","10.1039/C7OB03198J","","","0.71073","MoKα","","0.0391","0.0363","","","0.099","0.1015","","","","","","1.058","","","","has coordinates","230787","2020-10-21","18:00:00",""
"7156156","6.5612","0.0003","9.2289","0.0004","15.5715","0.0007","95.807","0.004","94.598","0.004","98.71","0.004","922.86","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O6 S -","- C15 H24 N4 O6 S -","- C30 H48 N8 O12 S2 -","2","1","","Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka","C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.","Organic & biomolecular chemistry","2018","16","15","2678","2687","10.1039/c8ob00253c","","x-ray","1.54184","CuKα","","0.0577","0.0537","","","0.1453","0.1531","","","","","","1.001","","","","has coordinates","230816","2020-10-21","18:00:00",""
"7156157","10.94","0.004","23.899","0.008","10.129","0.003","90","","96.474","0.006","90","","2631.4","1.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 O5 -","- C27 H40 O5 -","- C108 H160 O20 -","4","1","","Qi, Jifeng; Deng, Ziyang; Huang, Bo; Cui, Sunliang","Metal-free α-alkylation of alcohols with para-quinone methides.","Organic & biomolecular chemistry","2018","16","15","2762","2767","10.1039/c8ob00568k","","","0.71073","MoKα","","0.091","0.072","","","0.2191","0.2426","","","","","","0.989","","","","has coordinates","230815","2020-10-21","18:00:00",""
"7156158","7.0746","0.0017","8.499","0.002","10.459","0.002","92.779","0.006","104.832","0.006","93.958","0.006","605","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F2 O3 -","- C16 H10 F2 O3 -","- C32 H20 F4 O6 -","2","1","","Wang, Rui; Han, Jie; Li, Chenchen; Zhang, Jie; Liang, Yong; Wang, Tao; Zhang, Zunting","One-pot synthesis of 3-fluoroflavones via 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-diones and selectfluor at room temperature.","Organic & biomolecular chemistry","2018","16","14","2479","2488","10.1039/C8OB00135A","","","1.54178","CuKα","","0.0431","0.043","","","0.1112","0.1113","","","","","","1.096","","","","has coordinates","230788","2020-10-21","18:00:00",""
"7156159","16.3273","0.0007","16.8364","0.0008","17.1138","0.0008","89.826","0.002","66.421","0.002","65.168","0.002","3835.3","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","CV835","","","- C24 H24 O -","- C24 H24 O -","- C192 H192 O8 -","8","4","","Virumbrales, Cintia; Suárez-Pantiga, Samuel; Solas, Marta; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(i)-catalyzed diastereoselective synthesis of 1-α-oxybenzyl-1H-indenes.","Organic & biomolecular chemistry","2018","16","15","2623","2628","10.1039/c8ob00406d","","","0.71073","MoKα","","0.1647","0.0676","","","0.1614","0.2016","","","","","","1.01","","","","has coordinates,has disorder","230820","2020-10-21","18:00:00",""
"7156160","8.5004","0.0002","12.8701","0.0002","16.4218","0.0003","90","","90","","90","","1796.56","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.54184","CuKα","","0.0362","0.0356","","0.0958","0.095","0.0958","","","","","","1.0118","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156161","8.5534","0.0001","13.2093","0.0002","16.1337","0.0002","90","","90","","90","","1822.86","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 I N2 O6 -","- C15 H23 I N2 O6 -","- C60 H92 I4 N8 O24 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.5418","CuKα","","0.0302","0.0301","","0.0805","0.0803","0.0805","","","","","","1.0052","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156162","8.7409","0.0005","9.6037","0.0006","12.1665","0.0007","72.299","0.004","87.366","0.004","72.955","0.005","929.18","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.0807","0.0525","","","0.1019","0.1168","","","","","","1.05","","","","has coordinates","230791","2020-10-21","18:00:00",""
"7156163","8.3973","0.0008","8.5161","0.0009","14.1035","0.0013","97.848","0.006","104.222","0.006","108.609","0.006","900.83","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Kripalaya Ratheesh, Arya; Sparkes, Hazel A.; Prasad, Karnam Jayarampillai Rajendra","A new strategy for the synthesis of diverse benzo[a]carbazoles via a divergent catalytic Michael reaction.","Organic & biomolecular chemistry","2018","16","14","2527","2540","10.1039/C8OB00154E","","","0.71073","MoKα","","0.078","0.0495","","","0.116","0.1334","","","","","","1.023","","","","has coordinates,has disorder","230791","2020-10-21","18:00:00",""
"7156164","6.3579","0.0007","12.657","0.0013","22.518","0.002","90","","90","","90","","1812.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O5 -","- C20 H17 Br O5 -","- C80 H68 Br4 O20 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0501","0.0339","","","0.0801","0.0868","","","","","","1.016","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156165","5.8248","0.0005","11.9048","0.001","26.568","0.002","90","","90","","90","","1842.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0425","0.0362","","","0.0846","0.0893","","","","","","1.051","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156166","10.7366","0.0004","11.0614","0.0005","21.0424","0.0011","90","","101.46","0.004","90","","2449.2","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B2 F8 O2 S8 -","- C16 H14 B2 F8 O2 S8 -","- C64 H56 B8 F32 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","0.71073","MoKα","","0.0578","0.0386","","","0.08","0.0892","","","","","","1.025","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156167","31.739","0.003","4.5314","0.0004","14.5044","0.0012","90","","101.228","0.005","90","","2046.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 S8 -","- C16 H14 O2 S8 -","- C64 H56 O8 S32 -","4","1","","Schröder, Hendrik V; Witte, Felix; Gaedke, Marius; Sobottka, Sebastian; Suntrup, Lisa; Hupatz, Henrik; Valkonen, Arto; Paulus, Beate; Rissanen, Kari; Sarkar, Biprajit; Schalley, Christoph A.","An aryl-fused redox-active tetrathiafulvalene with enhanced mixed-valence and radical-cation dimer stabilities.","Organic & biomolecular chemistry","2018","16","15","2741","2747","10.1039/c8ob00415c","","","1.54178","CuKα","","0.0507","0.0395","","","0.0987","0.104","","","","","","1.048","","","","has coordinates","230817","2020-10-21","18:00:00",""
"7156168","7.9327","0.0004","18.8397","0.0009","22.3499","0.0016","90","","100.199","0.005","90","","3287.4","0.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H33 Br O4 S Se -","- C33 H33 Br O4 S Se -","- C132 H132 Br4 O16 S4 Se4 -","4","2","","Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong","Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.","Organic & biomolecular chemistry","2018","16","16","2893","2901","10.1039/c8ob00359a","","x-ray","0.71073","MoKα","","0.1192","0.0676","","","0.1421","0.1658","","","","","","1.054","","","","has coordinates","230734","2020-10-21","18:00:00",""
"7156169","9.795","0.005","10.469","0.005","12.397","0.005","87.898","0.005","81.097","0.005","82.861","0.005","1246","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.2425","0.087","","","0.1476","0.1989","","","","","","0.985","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156170","13.1542","0.0009","13.3153","0.0009","15.723","0.0011","103.217","0.002","113.154","0.002","93.739","0.002","2427.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C120 H120 N8 O16 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.1321","0.0642","","","0.1341","0.164","","","","","","0.976","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156171","7.581","0.005","10.819","0.005","13.144","0.005","89.938","0.005","87.155","0.005","82.887","0.005","1068.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C52 H52 N4 O8 -","2","1","","Wani, Imtiyaz Ahmad; Bhattacharyya, Aditya; Sayyad, Masthanvali; Ghorai, Manas K.","Temperature-modulated diastereoselective transformations of 2-vinylindoles to tetrahydrocarbazoles and tetrahydrocycloheptadiindoles.","Organic & biomolecular chemistry","2018","16","16","2910","2922","10.1039/c8ob00228b","","","0.71073","MoKα","","0.0678","0.0505","","","0.1261","0.1352","","","","","","1.049","","","","has coordinates","230737","2020-10-21","18:00:00",""
"7156172","7.8621","0.0004","10.129","0.0005","12.5926","0.0005","70.829","0.004","76.104","0.004","67.503","0.005","867.55","0.08","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl N3 O6 S -","- C14 H16 Cl N3 O6 S -","- C28 H32 Cl2 N6 O12 S2 -","2","1","","Zhou, Minghui; Su, Qin; Addepalli, Yesu; He, Yun; Wang, Zhen","An asymmetric Mannich reaction of α-diazocarbonyl compounds and N-sulfonyl cyclic ketimines catalyzed by complexes generated from chiral and achiral phosphines with gold(i).","Organic & biomolecular chemistry","2018","16","16","2923","2931","10.1039/c8ob00577j","","x-ray","0.71073","MoKα","","0.0752","0.0492","","","0.1246","0.1343","","","","","","1.098","","","","has coordinates","230732","2020-10-21","18:00:00",""
"7156173","8.809","0.011","12.652","0.016","16.37","0.02","90","","91.413","0.013","90","","1824","4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","vbchem293S","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Mondal, Susmita; Hajra, Alakananda","Ruthenium(ii)-catalyzed remote C-H addition of 8 aminoquinoline amide to activated aldehyde.","Organic & biomolecular chemistry","2018","16","16","2846","2850","10.1039/c8ob00537k","","","0.71073","MoKα","","0.1956","0.1141","","","0.2736","0.3356","","","","","","1.547","","","","has coordinates","230733","2020-10-21","18:00:00",""
"7156174","20.187","0.002","12.8111","0.0015","19.386","0.003","90","","110.362","0.013","90","","4700.3","1.1","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C26 H25.12 O5 S -","- C26 H25.122 O5 S -","- C208 H200.976 O40 S8 -","8","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.0959","0.0587","","","0.1527","0.1989","","","","","","1.106","","","","has coordinates,has disorder","230736","2020-10-21","18:00:00",""
"7156175","10.8783","0.0012","11.1724","0.0013","11.9506","0.0014","103.441","0.01","110.162","0.011","103.53","0.01","1245.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl O7 S -","- C24 H21 Cl O7 S -","- C48 H42 Cl2 O14 S2 -","2","1","","Ma, Shanshan; Yu, Aimin; Meng, Xiangtai","Phosphine-catalyzed [4 + 2] annulation of γ-benzyl allenoates: facile synthesis of benzothieno[3,2-b]pyran derivatives.","Organic & biomolecular chemistry","2018","16","16","2885","2892","10.1039/c8ob00004b","","x-ray","0.71073","MoKα","","0.1108","0.0802","","","0.212","0.2512","","","","","","1.031","","","","has coordinates","230736","2020-10-21","18:00:00",""
"7156176","7.753","0.002","14.532","0.004","11.144","0.003","90","","98.574","0.006","90","","1241.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Tong, Feng; Linares-Mendez, Iamnica J; Han, Yi-Fei; Wisner, James A.; Wang, Hong-Bo","Readily functionalized AAA-DDD triply hydrogen-bonded motifs.","Organic & biomolecular chemistry","2018","16","16","2947","2954","10.1039/c8ob00479j","","","0.71073","MoKα","","0.0444","0.0348","","","0.0915","0.1021","","","","","","1.069","","","","has coordinates","230735","2020-10-21","18:00:00",""
"7156177","12.3199","0.0011","22.2918","0.0014","9.1023","0.0009","90","","108.63","0.009","90","","2368.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N O4 P -","- C28 H22 N O4 P -","- C112 H88 N4 O16 P4 -","4","1","","Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Direct C4-H phosphonation of 8-hydroxyquinoline derivatives employing photoredox catalysis and silver catalysis.","Organic & biomolecular chemistry","2018","16","15","2753","2756","10.1039/c8ob00370j","","x-ray","0.71073","MoKα","","0.0895","0.0537","","","0.1154","0.1371","","","","","","1.021","","","","has coordinates","230819","2020-10-21","18:00:00",""
"7156178","9.0578","0.0005","9.3785","0.0005","15.7048","0.0009","103.167","0.001","101.337","0.001","91.84","0.001","1269.54","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 F3 N4 O6 -","- C25 H27 F3 N4 O6 -","- C50 H54 F6 N8 O12 -","2","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0575","0.0457","","","0.1171","0.1261","","","","","","1.005","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156179","9.7486","0.001","10.5135","0.0011","19.312","0.002","90","","100.75","0.002","90","","1944.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Vorobyeva, Daria V.; Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Loginov, Dmitry A.; Peregudov, Alexander S.; Osipov, Sergey N.","Rhodium(iii)-catalyzed CF<sub>3</sub>-carbenoid C-H functionalization of 6-arylpurines.","Organic & biomolecular chemistry","2018","16","16","2966","2974","10.1039/c8ob00645h","","","0.71073","MoKα","","0.0598","0.046","","","0.1092","0.118","","","","","","1.007","","","","has coordinates","230740","2020-10-21","18:00:00",""
"7156180","9.9316","0.0014","9.6118","0.0013","33.373","0.005","90","","97.634","0.004","90","","3157.6","0.8","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br Cl4 N O2 S2 -","- C32 H22 Br Cl4 N O2 S2 -","- C128 H88 Br4 Cl16 N4 O8 S8 -","4","1","","Bi, Cheng; Zhang, Lianpeng; Qiu, Guanyinsheng; Li, Xiaofang; Yao, Jinzhong; Zhou, Hongwei","Stereoselective and regioselective 5-exo-dig cyclization of 8-alkynylnaphthalen-1-amines for the synthesis of (E)-2-(arylthio)alkylene-1,2-dihydrobenzo[cd]indoles.","Organic & biomolecular chemistry","2018","16","16","3006","3011","10.1039/c8ob00556g","","","0.71073","MoKα","","0.0801","0.0507","","","0.1345","0.1527","","","","","","0.993","","","","has coordinates","230738","2020-10-21","18:00:00",""
"7156181","10.5352","0.0005","5.659","0.0003","20.7179","0.0008","90","","95.495","0.002","90","","1229.5","0.1","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0705","0.043","","","0.1114","0.1304","","","","","","0.985","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156182","10.1088","0.0011","10.1122","0.0011","15.6369","0.0016","106.118","0.004","90.862","0.004","117.901","0.004","1337.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","C11H12I2N2","","- C11 H12 I2 N2 -","- C11 H12 I2 N2 -","- C44 H48 I8 N8 -","4","2","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1393","0.0958","","","0.228","0.2484","","","","","","1.088","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156183","8.7463","0.0003","9.1092","0.0003","13.1444","0.0005","90","","90","","90","","1047.24","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0132","0.0126","","","0.0294","0.0296","","","","","","1.058","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156184","4.6419","0.0003","24.9757","0.0017","9.3367","0.0006","90","","97.371","0.002","90","","1073.5","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.1274","0.0602","","","0.1125","0.1367","","","","","","1.084","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156185","8.9971","0.0005","8.2161","0.0005","14.939","0.0009","90","","92.864","0.002","90","","1102.93","0.11","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Br N2 O -","- C10 H13 Br N2 O -","- C40 H52 Br4 N8 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0613","0.0339","","","0.0646","0.0732","","","","","","1.051","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156186","5.07","0.004","20.668","0.016","16","0.013","90","","93.39","0.02","90","","1674","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Cl N3 O -","- C21 H14 Cl N3 O -","- C84 H56 Cl4 N12 O4 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.2245","0.1177","","","0.31","0.3965","","","","","","1.118","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156187","10.0967","0.0003","11.1751","0.0003","13.81","0.0004","90","","104.85","0.003","90","","1506.16","0.08","150","","150","","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 S -","- C14 H18 N2 O5 S -","- C56 H72 N8 O20 S4 -","4","1","","Fegheh-Hassanpour, Younes; Ebrahim, Faisal; Arif, Tanzeel; Sintim, Herman O.; Claridge, Timothy D. W.; Amin, Nader T.; Hodgson, David M.","On the ozonolysis of unsaturated tosylhydrazones as a direct approach to diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","16","2876","2884","10.1039/c8ob00435h","","","1.5418","CuKα","","0.0319","0.0299","","0.0803","0.0781","0.0803","","","","","","1.0085","","","","has coordinates","230739","2020-10-21","18:00:00",""
"7156188","13.9735","0.0008","11.3828","0.0006","10.4133","0.0006","90","","109.645","0.001","90","","1559.91","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F5 N O2 S -","- C14 H16 F5 N O2 S -","- C56 H64 F20 N4 O8 S4 -","4","1","","Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.","The control of stereochemistry by the pentafluorosulfanyl group.","Organic & biomolecular chemistry","2018","16","17","3151","3159","10.1039/c7ob03146g","","","0.71073","MoKα","","0.0695","0.0419","","","0.0908","0.1013","","","","","","1.014","","","","has coordinates","230706","2020-10-21","18:00:00",""
"7156189","9.5682","0.0003","18.4465","0.0007","9.7648","0.0004","90","","104.808","0.0017","90","","1666.25","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C80 H80 N8 O4 -","4","1","","Mariappan, Arumugam; Das, Krishna Mohan; Jeganmohan, Masilamani","Remote alkylation of N-(quinolin-8-yl)benzamides with alkyl bromides via ruthenium(ii)-catalyzed C-H bond activation.","Organic & biomolecular chemistry","2018","16","18","3419","3427","10.1039/c8ob00581h","","","0.71073","MoKα","","0.0566","0.0406","","","0.0999","0.1116","","","","","","1.042","","","","has coordinates","230828","2020-10-21","18:00:00",""
"7156190","13.248","0.008","11.319","0.007","21.558","0.012","90","","90","","90","","3233","3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C144 H176 O40 -","8","1","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0916","0.0631","","","0.1493","0.1671","","","","","","0.989","","","","has coordinates","230826","2020-10-21","18:00:00",""
"7156191","8.5808","0.0017","10.449","0.002","27.944","0.006","83.51","0.03","88.58","0.03","66.94","0.03","2290","1","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Br N O7 -","- C24 H24 Br N O7 -","- C96 H96 Br4 N4 O28 -","4","2","","Zhang, Wuxia; Xiao, Dehai; Wang, Bo","A concise total synthesis of cochlearoid B.","Organic & biomolecular chemistry","2018","16","18","3358","3361","10.1039/c8ob00615f","","","0.71073","MoKα","","0.0974","0.0532","","","0.1193","0.1359","","","","","","1.011","","","","has coordinates,has disorder","230826","2020-10-21","18:00:00",""
"7156192","10.7014","0.0002","14.4421","0.0003","14.1016","0.0004","90","","106.984","0.003","90","","2084.36","0.09","119.99","0.17","119.99","0.17","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 F N2 O4 -","- C22 H29 F N2 O4 -","- C88 H116 F4 N8 O16 -","4","1","","Aimon, Anthony; Karageorgis, George; Masters, Jacob; Dow, Mark; Craven, Philip G. E.; Ohsten, Martin; Willaume, Anthony; Morgentin, Rémy; Ruiz-Llamas, Nicolas; Lemoine, Hugues; Kalliokoski, Tuomo; Eatherton, Andrew J.; Foley, Daniel J.; Marsden, Stephen P.; Nelson, Adam","Realisation of small molecule libraries based on frameworks distantly related to natural products.","Organic & biomolecular chemistry","2018","16","17","3160","3167","10.1039/c8ob00688a","","x-ray","1.54184","CuKα","","0.045","0.0392","","","0.0939","0.0988","","","","","","1.053","","","","has coordinates","230711","2020-10-21","18:00:00",""
"7156193","8.0151","0.0004","11.4152","0.0005","12.798","0.0006","89.432","0.003","71.763","0.003","86.136","0.003","1109.52","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C52 H48 N4 O6 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.1632","0.0701","","","0.2155","0.2979","","","","","","0.95","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156194","7.746","0.0003","11.9902","0.0004","12.4618","0.0004","70.558","0.002","75.621","0.002","79.609","0.002","1051.15","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Waheed, Mohd; Ahmed, Naseem; Alsharif, Meshari A.; Alahmdi, Mohammed Issa; Mukhtar, Sayeed","One-pot synthesis of 1,5-diketones from 3-acetyl-4-hydroxycoumarin and effective cyclization to unexpected 3,4-dihydropyridines.","Organic & biomolecular chemistry","2018","16","18","3428","3437","10.1039/c8ob00718g","","","0.71073","MoKα","","0.117","0.0762","","","0.242","0.2808","","","","","","1.042","","","","has coordinates","230822","2020-10-21","18:00:00",""
"7156195","8.6001","0.0001","17.1655","0.0002","9.5808","0.0001","90","","94.473","0.001","90","","1410.06","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H29 N3 O5 S2 -","- C30 H29 N3 O5 S2 -","- C60 H58 N6 O10 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.031","","","0.0697","0.0704","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156196","5.8407","0.0001","14.9477","0.0004","19.3104","0.0006","90","","90","","90","","1685.9","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C68 H68 N4 O20 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0228","0.0226","","","0.0601","0.0602","","","","","","1.108","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156197","14.3941","0.0002","6.9252","0.00011","21.6163","0.0004","90","","94.3263","0.0015","90","","2148.62","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H22 N2 O3 S2 -","- C24 H22 N2 O3 S2 -","- C96 H88 N8 O12 S8 -","4","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0264","0.0253","","","0.0651","0.0657","","","","","","1.038","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156198","10.414","0.0003","15.8099","0.0004","21.1096","0.0005","90","","90","","90","","3475.58","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N2 O3 S2 -","- C19 H16 N2 O3 S2 -","- C152 H128 N16 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0552","0.041","","","0.0886","0.0948","","","","","","1.032","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156199","10.3634","0.0002","12.0468","0.0003","21.0449","0.0004","90","","90","","90","","2627.37","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C112 H96 N16 O8 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.077","0.0798","","","","","","1.019","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156200","5.6439","0.0003","10.3733","0.0003","11.1733","0.0004","88.811","0.003","76.205","0.004","88.281","0.003","634.93","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O S2 -","- C14 H12 N2 O S2 -","- C28 H24 N4 O2 S4 -","2","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0341","0.0313","","","0.0845","0.0864","","","","","","1.043","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156201","9.13571","0.00013","13.38135","0.00018","30.0335","0.0004","90","","90","","90","","3671.54","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H21 N O3 S2 -","- C19 H21 N O3 S2 -","- C152 H168 N8 O24 S16 -","8","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71073","MoKα","","0.0323","0.0296","","","0.0798","0.0815","","","","","","1.042","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156202","11.8815","0.0012","6.2795","0.0006","23.859","0.003","90","","95.94","0.003","90","","1770.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C84 H64 N8 O12 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0328","0.0294","","","0.0793","0.081","","","","","","1.058","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156203","11.0765","0.0011","18.7037","0.0019","17.8788","0.0018","90","","91.808","0.002","90","","3702.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O3 S2 -","- C21 H16 N2 O3 S2 -","- C168 H128 N16 O24 S16 -","8","2","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0373","0.0315","","","0.0805","0.0829","","","","","","1.049","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156204","9.2019","0.0006","33.434","0.002","36.933","0.003","90","","90","","90","","11362.7","1.4","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C93 H151 N25 O23 -","- C74 H123 N21 O18 -","- C296 H492 N84 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","x-ray","1.54184","CuKα","","0.1715","0.1324","","","0.3416","0.3761","","","","","","1.308","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156205","9.0696","0.0001","21.623","0.0003","23.9383","0.0004","111.419","0.001","95.745","0.001","98.514","0.001","4261.16","0.11","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C142 H233 N33 O37 -","- C142 H231 N33 O37 -","- C142 H231 N33 O37 -","1","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0944","0.0802","","","0.205","0.2161","","","","","","1.001","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156206","24.5384","0.0013","8.9796","0.0005","40.3241","0.0019","90","","105.026","0.005","90","","8581.4","0.8","100","2","100","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C69 H113 N17 O18 -","- C69 H113 N17 O18 -","- C276 H452 N68 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0937","0.0629","","","0.146","0.1651","","","","","","1.031","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156207","10.1857","0.0002","17.9944","0.0004","46.7774","0.0009","90","","90","","90","","8573.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H114 N18 O17 -","- C71 H114 N18 O17 -","- C284 H456 N72 O68 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0769","0.066","","","0.1848","0.1985","","","","","","0.84","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156208","29.04","0.02","33.47","0.02","10.3","0.01","90","","90","","90","","10011","13","110","2","110","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C78 H133 N19 O19 -","- C78 H129 N19 O19 -","- C312 H516 N76 O76 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","0.92","","","0.1092","0.0968","","","0.2663","0.2748","","","","","","1.635","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156209","12.0625","0.0003","35.0403","0.0008","31.1624","0.0008","90","","100.906","0.003","90","","12933.6","0.6","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C184 H302 N50 O46 -","- C184 H302 N50 O46 -","- C368 H604 N100 O92 -","2","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0902","0.0719","","","0.1899","0.2112","","","","","","1.051","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156210","11.0806","0.0004","8.8522","0.0004","17.7829","0.0006","90","","102.82","0.0018","90","","1700.8","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce H16 N7 O19 -","- Ce H4 N7 O19 -","- Ce4 H16 N28 O76 -","4","0.5","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0516","0.044","","","0.1119","0.1151","","","","","","1.161","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156211","5.5311","0.0007","13.8941","0.0017","23.168","0.003","90","","90","","90","","1780.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O12 -","- C14 H19 N O12 -","- C56 H76 N4 O48 -","4","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0715","0.0416","","","0.0728","0.0827","","","","","","1.016","","","","has coordinates","230726","2020-10-21","18:00:00",""
"7156212","14.9257","0.0016","5.4551","0.0006","21.093","0.002","90","","95.99","0.007","90","","1708","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H27 N O12 -","- C34 H27 N O12 -","- C68 H54 N2 O24 -","2","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.1668","0.0789","","","0.1695","0.2084","","","","","","1.035","","","","has coordinates,has disorder","230726","2020-10-21","18:00:00",""
"7156213","10.3289","0.0003","13.752","0.0004","18.4669","0.0007","90","","90","","90","","2623.09","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N4 O3 -","- C28 H22 Cl F3 N4 O3 -","- C112 H88 Cl4 F12 N16 O12 -","4","1","","Luo, Yuan; Xie, Ke-Xin; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","An organocatalytic asymmetric Mannich reaction of pyrazoleamides with cyclic trifluoromethyl ketimines: enantioselective access to dihydroquinazolinone skeletons.","Organic & biomolecular chemistry","2018","16","18","3372","3375","10.1039/c8ob00707a","","","0.71073","MoKα","","0.064","0.0431","","","0.0942","0.104","","","","","","1.033","","","","has coordinates","230824","2020-10-21","18:00:00",""
"7156214","8.2863","0.001","8.959","0.0011","10.6474","0.0012","87.057","0.01","70.068","0.011","71.08","0.011","701.38","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.0685","0.0452","","","0.1231","0.157","","","","","","0.966","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156215","7.2549","0.0016","20.063","0.005","14.429","0.004","90","","101.37","0.03","90","","2059","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 S -","- C25 H18 O4 S -","- C100 H72 O16 S4 -","4","1","","Shen, Jinhui; Yang, Yang; Hou, Xiaoli; Zeng, Wenlei; Yu, Aimin; Zhao, Xiaowei; Meng, Xiangtai","Darzens reaction of thioisatins and sulfonium salts: approach to the synthesis of thiochromenone derivatives with anticancer potency.","Organic & biomolecular chemistry","2018","16","18","3487","3494","10.1039/c8ob00402a","","x-ray","0.71073","MoKα","","0.1532","0.085","","","0.1909","0.2527","","","","","","1.121","","","","has coordinates","230821","2020-10-21","18:00:00",""
"7156216","9.05","0.004","10.2","0.004","27.541","0.011","89.877","0.006","93.866","0.006","111.112","0.005","2365.6","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","2","","Tang, Xue; Gao, Ying-Juan; Deng, Hui-Qing; Lei, Jin-Ju; Liu, Si-Wei; Zhou, Lin; Shi, Yin; Liang, Hao; Qiao, Jie; Guo, Li; Han, Bo; Cui, Hai-Lei","Catalyst-free [3 + 2] cyclization of dihydroisoquinoline imines and isatin-derived Morita-Baylis-Hillman carbonates via 1,5-electrocyclization: synthesis of tetrahydroisoquinoline-fused spirooxindoles.","Organic & biomolecular chemistry","2018","16","18","3362","3366","10.1039/c8ob00749g","","","0.71073","MoKα","","0.1443","0.1072","","","0.278","0.2967","","","","","","1.06","","","","has coordinates","230825","2020-10-21","18:00:00",""
"7156217","20.451","0.002","29.075","0.003","9.8797","0.0009","90","","103.894","0.002","90","","5702.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 N2 O14 S3 -","- C60 H50 N2 O14 S3 -","- C240 H200 N8 O56 S12 -","4","1","","Mishra, Richa; Jana, Asim; Panday, Anoop Kumar; Choudhury, Lokman H.","Synthesis of fused pyrroles containing 4-hydroxycoumarins by regioselective metal-free multicomponent reactions.","Organic & biomolecular chemistry","2018","16","17","3289","3302","10.1039/c8ob00161h","","","0.71073","MoKα","","0.0735","0.0647","","","0.184","0.1938","","","","","","1.06","","","","has coordinates,has disorder","230707","2020-10-21","18:00:00",""
"7156218","13.4091","0.0003","7.5272","0.0001","13.3823","0.0003","90","","114.262","0.003","90","","1231.41","0.05","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxy-2-phenylethyl)-4-methyl-2,5-dihydrothiophene-1,1-dioxide","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","Dang, Hang T.; Nguyen, Vu T.; Nguyen, Viet D.; Arman, Hadi D.; Larionov, Oleg V.","Efficient synthesis of 3-sulfolenes from allylic alcohols and 1,3-dienes enabled by sodium metabisulfite as a sulfur dioxide equivalent.","Organic & biomolecular chemistry","2018","16","19","3605","3609","10.1039/c8ob00745d","","x-ray","0.71073","MoKα","","0.0664","0.0601","","","0.1226","0.1292","","","","","","1.054","","","","has coordinates","230728","2020-10-21","18:00:00",""
"7156219","39.247","0.004","12.6465","0.0011","21.5421","0.0019","90","","93.847","0.002","90","","10668.1","1.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 Cl2 N6 Ni O S2 -","- C56 H58 Cl2 N6 Ni O S2 -","- C448 H464 Cl16 N48 Ni8 O8 S16 -","8","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.1045","0.0701","","","0.1767","0.2007","","","","","","1.066","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156220","26.289","0.002","15.6605","0.0014","28.462","0.002","90","","109.794","0.002","90","","11025.4","1.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H68 Cl2 N4 Ni S2 Si -","- C58 H68 Cl2 N4 Ni S2 Si -","- C464 H544 Cl16 N32 Ni8 S16 Si8 -","8","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1506","0.1419","","","0.3897","0.4066","","","","","","1.646","","","","has coordinates","230727","2020-10-21","18:00:00",""
"7156221","14.218","0.005","20.122","0.006","21.975","0.007","69.445","0.003","72.044","0.003","82.393","0.003","5598","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C103 H109 N9 Ni O S2 Zn -","- C103 H109 N9 Ni O S2 Zn -","- C206 H218 N18 Ni2 O2 S4 Zn2 -","2","1","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.1556","0.1004","","","0.278","0.3328","","","","","","1.039","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156222","36.962","0.008","14.668","0.003","40.822","0.009","90","","91.783","0.002","90","","22121","8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N6 S2 -","- C58 H56 N6 S2 -","- C928 H896 N96 S32 -","16","4","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6932","synchrotron","","0.2409","0.2034","","","0.4944","0.5174","","","","","","1.071","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156223","34.85","0.03","13.785","0.011","40.21","0.03","90","","92.378","0.01","90","","19301","3","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C54 H52 N8 -","- C54 H52 N8 -","- C864 H832 N128 -","16","2","","Smith, Martin J.; Blake, Iain M.; Clegg, William; Anderson, Harry L.","Push-pull quinoidal porphyrins.","Organic & biomolecular chemistry","2018","16","19","3648","3654","10.1039/c8ob00491a","","","0.6893","synchrotron","","0.2429","0.1812","","","0.3842","0.4153","","","","","","1.142","","","","has coordinates,has disorder","230727","2020-10-21","18:00:00",""
"7156224","9.3021","0.0009","11.1033","0.0011","11.8279","0.0011","81.577","0.002","80.92","0.001","72.384","0.001","1143.41","0.19","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cl2 F3 N O2 -","- C26 H22 Cl2 F3 N O2 -","- C52 H44 Cl4 F6 N2 O4 -","2","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.0563","0.0512","","","0.1353","0.1395","","","","","","1.028","","","","has coordinates,has disorder","230731","2020-10-21","18:00:00",""
"7156225","9.33","0.004","11.138","0.005","19.656","0.008","90","","95.194","0.008","90","","2034.2","1.5","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F3 N O2 -","- C25 H20 F3 N O2 -","- C100 H80 F12 N4 O8 -","4","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","0.71073","MoKα","","0.1071","0.0613","","","0.1491","0.1835","","","","","","1.024","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156226","8.7429","0.0004","13.5554","0.0006","21.9361","0.0009","90","","90","","90","","2599.7","0.2","150","2","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C112 H112 F24 N8 O16 -","8","1","","Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin","Synthesis of CF<sub>3</sub>-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph<sub>2</sub>S<sup>+</sup>CH<sub>2</sub>CF<sub>3</sub>OTf<sup/>.","Organic & biomolecular chemistry","2018","16","19","3564","3567","10.1039/c8ob00602d","","","1.54178","CuKα","","0.0411","0.0394","","","0.1011","0.1026","","","","","","1.094","","","","has coordinates","230731","2020-10-21","18:00:00",""
"7156227","18.8659","0.001","10.1158","0.0004","8.8637","0.0005","90","","99.138","0.006","90","","1670.11","0.15","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N3 -","- C21 H12 Br N3 -","- C84 H48 Br4 N12 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0792","0.0473","","","0.1155","0.1341","","","","","","1.001","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156228","9.2421","0.0005","17.3468","0.0011","28.1793","0.0014","90","","90","","90","","4517.7","0.4","295","","294","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C224 H176 N32 O16 -","8","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.2187","0.0624","","","0.1014","0.152","","","","","","0.932","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156229","13.2575","0.0007","15.3061","0.0007","7.8541","0.0003","90","","98.654","0.005","90","","1575.61","0.13","120.01","0.1","120.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Kopchuk, Dmitry S.; Nikonov, Igor L.; Khasanov, Albert F.; Giri, Kousik; Santra, Sougata; Kovalev, Igor S.; Nosova, Emiliya V.; Gundala, Sravya; Venkatapuram, Padmavathi; Zyryanov, Grigory V.; Majee, Adinath; Chupakhin, Oleg N.","Studies on the interactions of 5-R-3-(2-pyridyl)-1,2,4-triazines with arynes: inverse demand aza-Diels-Alder reaction versus aryne-mediated domino process.","Organic & biomolecular chemistry","2018","16","28","5119","5135","10.1039/c8ob00847g","","","0.7107","MoKα","","0.0909","0.0524","","","0.1202","0.1391","","","","","","1.002","","","","has coordinates","230581","2020-10-21","18:00:00",""
"7156230","9.463","0.0012","9.9221","0.0011","13.5665","0.0016","102.387","0.01","94.259","0.01","98.976","0.01","1221.2","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl N -","- C15 H12 Cl N -","- C60 H48 Cl4 N4 -","4","2","","Gattu, Radhakrishna; Bhattacharjee, Suchandra; Mahato, Karuna; Khan, Abu T.","Electronic effect of substituents on anilines favors 1,4-addition to trans-β-nitrostyrenes: access to N-substituted 3-arylindoles and 3-arylindoles.","Organic & biomolecular chemistry","2018","16","20","3760","3770","10.1039/c8ob00736e","","","0.71073","MoKα","","0.132","0.0616","","","0.1418","0.2047","","","","","","1.031","","","","has coordinates","230769","2020-10-21","18:00:00",""
"7156231","10.457","0.006","18.104","0.011","11.424","0.007","90","","98.239","0.011","90","","2140","2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 F2 N2 O4 S -","- C24 H20 F2 N2 O4 S -","- C96 H80 F8 N8 O16 S4 -","4","1","","Yang, Xing; Zhang, Feng; Zhou, Yang; Huang, Yi-Yong","Neighboring phenolic group-activated gem-difluoroallylboration of imines for the catalyst-free synthesis of gem-difluorohomoallylamines.","Organic & biomolecular chemistry","2018","16","18","3367","3371","10.1039/c8ob00541a","","","0.71073","MoKα","","0.0969","0.0596","","","0.1309","0.1482","","","","","","1.052","","","","has coordinates","230823","2020-10-21","18:00:00",""
"7156232","18.2568","0.0005","18.2568","0.0005","33.758","0.0019","90","","90","","90","","11251.9","0.8","296","2","296","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C30 H24 Cl2 I N O2 -","- C30 H24 Cl2 I N O2 -","- C480 H384 Cl32 I16 N16 O32 -","16","","","Baire, Beeraiah; Chinta, Bhavani Shankar; Vasikarla, Kamala Prasad; Sanapa, Harikrishna","Highly, regioselective electrophile induced cyclizations of 2-(prop-1-ynyl)benzamides","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB00434J","","","0.71073","MoKα","","0.0777","0.0472","","","0.1185","0.1487","","","","","","1.125","","","","has coordinates","207489","2020-10-21","18:00:00",""
"7156233","11.8242","0.0005","5.6357","0.0002","20.6262","0.0008","90","","99.544","0.004","90","","1355.46","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H11 N3 O -","- C18 H11 N3 O -","- C72 H44 N12 O4 -","4","2","","Liu, Xiaozu; Zhou, Yuxiang; Chen, Guojun; Yang, Zhongqin; Li, Qin; Liu, Peijun","Iodine-catalyzed oxidative annulation of 3-cyanoacetylindoles with benzylamines: facile access to 5-(3-indolyl)oxazoles.","Organic & biomolecular chemistry","2018","16","19","3572","3575","10.1039/c8ob00833g","","x-ray","1.54184","CuKα","","0.1427","0.1363","","","0.3392","0.3537","","","","","","1.564","","","","has coordinates","230730","2020-10-21","18:00:00",""
"7156234","10.7721","0.0007","9.4199","0.0006","14.3014","0.0008","90","","107.313","0.004","90","","1385.44","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0634","0.0429","","","0.1144","0.1255","","","","","","1.022","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156235","6.4056","0.0002","22.7204","0.0007","9.3434","0.0003","90","","100.885","0.002","90","","1335.35","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Br N3 O -","- C15 H12 Br N3 O -","- C60 H48 Br4 N12 O4 -","4","1","","Liao, Zhen-Yuan; Yeh, Wen-Hsiung; Liao, Pen-Yuan; Liu, Yu-Ting; Chen, Ying-Cheng; Chen, Yi-Hung; Hsieh, Tsung-Han; Lin, Chia-Chi; Lu, Ming-Hsuan; Chen, Yi-Song; Hsu, Ming-Chih; Li, Tsai-Kun; Chien, Tun-Cheng","Regioselective synthesis and biological evaluation of N-substituted 2-aminoquinazolin-4-ones.","Organic & biomolecular chemistry","2018","16","24","4482","4494","10.1039/c8ob00624e","","","0.71073","MoKα","","0.0332","0.0258","","","0.0762","0.0914","","","","","","1.201","","","","has coordinates","230582","2020-10-21","18:00:00",""
"7156236","8.9209","0.0003","9.161","0.0003","12.7949","0.0004","101.938","0.002","106.434","0.003","107.197","0.003","908.67","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C52 H32 N4 O2 -","2","1","","Sun, Hongwei; Tang, Shi; Li, Dengke; Zhou, Yali; Huang, Jinbo; Zhu, Qiang","Cascade double isocyanide insertion and C-N coupling of 2-iodo-2'-isocyano-1,1'-biphenyls.","Organic & biomolecular chemistry","2018","16","21","3893","3896","10.1039/c8ob00956b","","","1.54184","CuKα","","0.0527","0.0457","","","0.1501","0.1563","","","","","","1.214","","","","has coordinates","230832","2020-10-21","18:00:00",""
"7156237","5.834","0.0006","36.798","0.004","8.5249","0.0009","90","","103.941","0.003","90","","1776.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Zhang, Wenzheng; Xu, Guangyang; Qiu, Lin; Sun, Jiangtao","Gold-catalyzed C5-alkylation of indolines and sequential oxidative aromatization: access to C5-functionalized indoles.","Organic & biomolecular chemistry","2018","16","21","3889","3892","10.1039/c8ob00826d","","","0.71073","MoKα","","0.1431","0.1017","","","0.2102","0.2301","","","","","","1.12","","","","has coordinates,has disorder","230833","2020-10-21","18:00:00",""
"7156238","21.157","0.006","6.917","0.002","20.174","0.006","90","","98","0.03","90","","2923.6","1.5","293","","293","","","","","","","","see text","5","C 1 2 1","C 2y","5","compound 23","(1R,R~p~)-(1',3',5'(10')-estratrien-3'-ylmethyl) ethyl (1-hydroxy-2-methylsulfanyl-1-phenylethyl)phosphonate","","- C30 H41 O4 P S -","- C30 H41 O4 P S -","- C120 H164 O16 P4 S4 -","4","1","","Prechelmacher, Susanne; Mereiter, Kurt; Hammerschmidt, Friedrich","The α-hydroxyphosphonate-phosphate rearrangement of a noncyclic substrate - some new observations.","Organic & biomolecular chemistry","2018","16","19","3672","3680","10.1039/c8ob00419f","","x-ray","0.71073","MoKα","","0.0558","0.0441","","","0.1031","0.1197","","","","","","1.067","","","","has coordinates","230729","2020-10-21","18:00:00",""
"7156239","13.339","0.005","18.203","0.006","18.304","0.007","106.445","0.004","110.829","0.006","95.262","0.006","3891","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C99 H100 N2 O3 -","- C99 H100 N2 O3 -","- C198 H200 N4 O6 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.2317","0.0936","","","0.2036","0.286","","","","","","1.019","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156240","14.816","0.005","28.03","0.008","12.06","0.004","90","","113.633","0.007","90","","4588","3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H47 N3 O5 S -","- C56 H47 N3 O5 S -","- C224 H188 N12 O20 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0503","0.036","","","0.0871","0.0952","","","","","","1.014","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156241","11.365","0.002","13.805","0.002","25.674","0.004","90","","92.439","0.004","90","","4024.4","1.1","143","","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 Cl3 N O -","- C47 H44 Cl3 N O -","- C188 H176 Cl12 N4 O4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.1071","0.0671","","","0.1681","0.194","","","","","","1.046","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156242","9.7851","0.0011","10.7442","0.0014","22.106","0.003","103.099","0.007","95.707","0.007","98.173","0.007","2219.6","0.5","123","","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 Cl3 F3 N O3 S -","- C50 H41 Cl3 F3 N O3 S -","- C100 H82 Cl6 F6 N2 O6 S2 -","2","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0712","0.0614","","","0.1657","0.1725","","","","","","1.053","","","","has coordinates,has disorder","230767","2020-10-21","18:00:00",""
"7156243","14.744","0.003","9.8309","0.0015","25.091","0.004","90","","94.077","0.005","90","","3627.7","1.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N2 O3 S -","- C44 H40 N2 O3 S -","- C176 H160 N8 O12 S4 -","4","1","","Suzuki, Shin; Asako, Takashi; Itami, Kenichiro; Yamaguchi, Junichiro","Modular synthesis of heptaarylindole.","Organic & biomolecular chemistry","2018","16","20","3771","3776","10.1039/c8ob00993g","","","0.71075","MoKα","","0.0618","0.0466","","","0.1175","0.1255","","","","","","1.037","","","","has coordinates","230767","2020-10-21","18:00:00",""
"7156244","9.0994","0.0006","17.118","0.001","11.3594","0.0009","90","","98.095","0.002","90","","1751.8","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C31 H22 B4 Cl2 F8 N8 O2 S2 -","- C62 H44 B8 Cl4 F16 N16 O4 S4 -","2","0.5","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54178","CuKα","","0.1046","0.0831","","","0.237","0.2575","","","","","","1.082","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156245","10.6491","0.0007","22.7467","0.0013","17.0946","0.001","90","","104.248","0.007","90","","4013.5","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C39 H26 B4 Cl2 F8 N8 O2 S2 -","- C156 H104 B16 Cl8 F32 N32 O8 S8 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1126","0.0678","","","0.1705","0.2083","","","","","","1.035","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156246","13.7279","0.0018","8.6809","0.0013","14.7591","0.0017","90","","105.207","0.012","90","","1697.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F2 N4 S -","- C19 H11 B F2 N4 S -","- C76 H44 B4 F8 N16 S4 -","4","1","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","0.71073","MoKα","","0.1008","0.0524","","","0.0979","0.1272","","","","","","1.046","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156247","11.0689","0.0006","10.5398","0.0005","25.7733","0.0015","90","","109.097","0.005","90","","2841.3","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 B F2 N4 O0 S -","- C15 H9 B F2 N4 S -","- C120 H72 B8 F16 N32 S8 -","8","2","","Duan, Wenzeng; Liu, Qingsong; Huo, Yanmin; Cui, Jichun; Gong, Shuwen; Liu, Zhipeng","AIE-active boron complexes based on benzothiazole-hydrazone chelates.","Organic & biomolecular chemistry","2018","16","27","4977","4984","10.1039/c8ob00755a","","","1.54184","CuKα","","0.16","0.0834","","","0.2111","0.3081","","","","","","1.038","","","","has coordinates","230623","2020-10-21","18:00:00",""
"7156248","6.4849","0.0005","7.9199","0.0006","21.9097","0.0017","90","","90","","90","","1125.28","0.15","205","","205","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Wang, Zheng; Xu, Ming-Hua","Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.","Organic & biomolecular chemistry","2018","16","25","4633","4640","10.1039/c8ob00840j","","","1.54178","CuKα","","0.0273","0.0271","","","0.0676","0.0677","","","","","","1.096","","","","has coordinates","230754","2020-10-21","18:00:00",""
"7156249","19.0398","0.0014","8.7917","0.0005","15.4377","0.0011","90","","103.834","0.007","90","","2509.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 N3 O6 S -","- C24 H33 N3 O6 S -","- C96 H132 N12 O24 S4 -","4","1","","Bakulina, Olga; Dar'in, Dmitry; Krasavin, Mikhail","Mixed carboxylic-sulfonic anhydride in reaction with imines: a straightforward route to water-soluble β-lactams via a Staudinger-type reaction.","Organic & biomolecular chemistry","2018","16","21","3989","3998","10.1039/c8ob00768c","","","1.5418","CuKα","","0.0673","0.0557","","","0.1369","0.148","","","","","","1.02","","","","has coordinates,has disorder","230835","2020-10-21","18:00:00",""
"7156250","9.843","0.0009","12.3941","0.0011","13.6713","0.0014","75.947","0.006","81.791","0.006","66.836","0.005","1485.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O4 -","- C38 H31 N O4 -","- C76 H62 N2 O8 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1355","0.0616","","","0.1288","0.1529","","","","","","1.022","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156251","12.6224","0.0006","13.4198","0.0005","18.628","0.0007","69.695","0.001","86.767","0.001","88.299","0.001","2954.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H31 N O5 -","- C38 H31 N O5 -","- C152 H124 N4 O20 -","4","2","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2026","0.1272","","","0.3182","0.3784","","","","","","1.083","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156252","14.5654","0.0007","22.655","0.0011","8.9813","0.0004","90","","103.56","0.0015","90","","2881","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Cl N O4 -","- C37 H28 Cl N O4 -","- C148 H112 Cl4 N4 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.112","0.0566","","","0.1165","0.1358","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156253","9.215","0.002","22.358","0.006","17.565","0.004","90","","111.492","0.011","90","","3367.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N2 O4 -","- C36 H28 N2 O4 -","- C144 H112 N8 O16 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2268","0.0925","","","0.2453","0.3002","","","","","","1.024","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156254","8.9074","0.0018","24.06","0.005","11.549","0.002","90","","112.68","","90","","2283.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O3 -","- C29 H27 N O3 -","- C116 H108 N4 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2624","0.1687","","","0.4176","0.4641","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156255","8.7048","0.0008","19.6596","0.0019","22.0693","0.0019","90","","90","","90","","3776.8","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Br N O3 -","- C22 H20 Br N O3 -","- C176 H160 Br8 N8 O24 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1146","0.0516","","","0.113","0.1455","","","","","","1.06","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156256","17.485","0.005","23.214","0.007","13.752","0.006","90","","90.437","0.013","90","","5582","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C224 H192 N16 O40 -","8","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.2778","0.1179","","","0.2924","0.3805","","","","","","1.009","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156257","15.2237","0.0016","12.7126","0.0013","15.0411","0.0015","90","","119.6","","90","","2531.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl2 N2 O3 -","- C28 H26 Cl2 N2 O3 -","- C112 H104 Cl8 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.1457","0.0662","","","0.174","0.2021","","","","","","0.973","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156258","7.3088","0.0004","12.204","0.0006","12.7704","0.0006","110.563","0.0015","96.8007","0.0014","96.6011","0.0016","1043.87","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C54 H48 N4 O6 -","2","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.07","0.0461","","","0.103","0.1143","","","","","","1.031","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156259","12.2787","0.0015","8.6166","0.0011","16.4475","0.0019","90","","103.03","0.005","90","","1695.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Cao, Jun; Sun, Jing; Yan, Chao-Guo","Regioselective and diastereoselective synthesis of two functionalized 1,5-methanoindeno[1,2-d]azocines via a three-component reaction.","Organic & biomolecular chemistry","2018","16","22","4170","4175","10.1039/c8ob00144h","","","0.71073","MoKα","","0.0823","0.0509","","","0.1071","0.1188","","","","","","1.053","","","","has coordinates","230599","2020-10-21","18:00:00",""
"7156260","9.6235","0.0006","13.3554","0.0009","16.7938","0.0009","90","","90","","90","","2158.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping","Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.","Organic & biomolecular chemistry","2018","16","20","3801","3808","10.1039/c7ob03067c","","","0.71073","MoKα","","0.1153","0.0646","","","0.1298","0.1635","","","","","","1.046","","","","has coordinates","230768","2020-10-21","18:00:00",""
"7156261","10.1121","0.0007","10.442","0.0006","12.0205","0.0014","95.695","0.008","91.086","0.008","97.671","0.005","1251.02","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H21 Cl N2 O -","- C11 H21 Cl N2 O -","- C44 H84 Cl4 N8 O4 -","4","2","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.1018","0.0684","","","0.1965","0.2128","","","","","","0.979","","","","has coordinates","230600","2020-10-21","18:00:00",""
"7156262","11.319","0.0018","10.9194","0.0016","7.7658","0.001","90","","90.269","0.013","90","","959.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","Alzahrani, Abdullah; Mirallai, Styliana I.; Chalmers, Benjamin A.; McArdle, Patrick; Aldabbagh, Fawaz","Synthesis of N-[(dialkylamino)methyl]acrylamides and N-[(dialkylamino)methyl]methacrylamides from Schiff base salts: useful building blocks for smart polymers.","Organic & biomolecular chemistry","2018","16","22","4108","4116","10.1039/c8ob00811f","","","0.71073","MoKα","","0.0992","0.0857","","","0.2083","0.2182","","","","","","1.119","","","","has coordinates,has disorder","230600","2020-10-21","18:00:00",""
"7156263","10.2591","0.0006","9.6617","0.0005","30.5377","0.0016","90","","90","","90","","3026.9","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Febrifugine","Febrifugine","","- C16 H19 N3 O3 -","- C16 H19 N3 O3 -","- C128 H152 N24 O24 -","8","1","","Maiden, T. M. M.; Mbelesi, N.; Procopiou, P. A.; Swanson, S.; Harrity, J. P. A.","A convergent strategy towards febrifugine and related compounds.","Organic & biomolecular chemistry","2018","16","22","4159","4169","10.1039/c8ob00935j","","","1.54178","CuKα","","0.1345","0.0784","","","0.0831","0.0889","","","","","","1.517","","","","has coordinates","230598","2020-10-21","18:00:00",""
"7156264","10.585","0.002","8.8309","0.0018","15.039","0.003","90","","96.741","0.003","90","","1396.1","0.5","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl N4 -","- C15 H15 Cl N4 -","- C60 H60 Cl4 N16 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Wang, Yu-Wei; Chen, Zhi-Peng; Chen, Yun-Feng; Wu, An-Xin","Copper-catalyzed ambient-temperature decarboxylative annulation of isatins with amidine hydrochlorides: a facile access to 2-(1,3,5-triazin-2-yl)aniline derivatives.","Organic & biomolecular chemistry","2018","16","23","4223","4226","10.1039/c8ob00904j","","","0.71073","MoKα","","0.0784","0.0582","","","0.1829","0.2028","","","","","","1.005","","","","has coordinates","230830","2020-10-21","18:00:00",""
"7156265","40.319","0.005","8.136","0.005","8.974","0.005","90","0.005","90","0.005","90","0.005","2944","2","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C30 H26 Br2 Cl0 N4 O2 Pd -","- C30 H26 Br2 N4 O2 Pd -","- C120 H104 Br8 N16 O8 Pd4 -","4","1","","Panyam, Pradeep Kumar Reddy; Sreedharan, Ramdas; Gandhi, Thirumanavelan","Synthesis of topologically constrained naphthalimide appended palladium(ii)-N-heterocyclic carbene complexes - insights into additive controlled product selectivity.","Organic & biomolecular chemistry","2018","16","23","4357","4364","10.1039/c8ob00616d","","","0.71073","MoKα","","0.0421","0.0342","","","0.0708","0.0738","","","","","","1.075","","","","has coordinates","230831","2020-10-21","18:00:00",""
"7156266","21.0973","0.0005","11.579","0.0003","14.9601","0.0004","90","","109.03","0.002","90","","3454.81","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H112 N2 O8 P2 -","- C72 H112 N2 O8 P2 -","- C144 H224 N4 O16 P4 -","2","0.5","","Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A.","Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers.","Organic & biomolecular chemistry","2018","16","22","4183","4190","10.1039/c8ob00819a","","","0.71073","MoKα","","0.1938","0.154","","","0.4485","0.4875","","","","","","1.904","","","","has coordinates,has disorder","230597","2020-10-21","18:00:00",""
"7156267","5.4408","0.0004","10.1935","0.0009","27.458","0.002","90","","91.789","0.008","90","","1522.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Zhang, Yixin; Ma, Haojie; Liu, Xingxing; Cui, Xinfeng; Wang, Shaohua; Zhan, Zhenzhen; Pu, Jinghong; Huang, Guosheng","The synthesis of multi-substituted pyrrolidinones via a direct [3 + 2] cycloaddition of azaoxyallyl cations with aromatic ethylenes.","Organic & biomolecular chemistry","2018","16","24","4439","4442","10.1039/c8ob00899j","","","0.71073","MoKα","","0.1325","0.0649","","","0.1389","0.1798","","","","","","1.028","","","","has coordinates","230583","2020-10-21","18:00:00",""
"7156268","10.215","0.0009","11.4694","0.0012","12.0747","0.0013","115.285","0.01","93.898","0.008","92.846","0.008","1271.3","0.2","293","2","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C24 H32 Br O4 P -","- C24 H32 Br O4 P -","- C48 H64 Br2 O8 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.2108","0.0793","","","0.193","0.2998","","","","","","0.979","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156269","9.947","0.003","15.743","0.004","18.185","0.005","90","","90","","90","","2847.7","1.4","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 O4 P -","- C27 H39 N2 O4 P -","- C108 H156 N8 O16 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.0719","0.0492","","","0.1194","0.1284","","","","","","0.949","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156270","7.8543","0.0005","20.6582","0.0009","8.3912","0.0005","90","","116.689","0.008","90","","1216.46","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H Br0 N O -","- C2.6087 Br0.173913 O0.347826 -","- C60 Br4 O8 -","23","5.75","","Wang, Rui-Xiang; Yuan, Si-Tian; Liu, Jin-Biao; Wu, Jie; Qiu, Guanyinsheng","Regioselective 5-exo-dig oxy-cyclization of 2-alkynylbenzamide for the synthesis of isobenzofuran-1-imines and isobenzofuran.","Organic & biomolecular chemistry","2018","16","24","4501","4508","10.1039/c8ob00779a","","x-ray","1.54184","CuKα","","0.2157","0.2119","","","0.6061","0.6139","","","","","","6.194","","","","has coordinates","230584","2020-10-21","18:00:00",""
"7156271","4.568","0.0003","16.1861","0.0008","15.8035","0.001","90","","115.336","0.007","90","","1056.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 N2 O2 -","- C11 H7 F3 N2 O2 -","- C44 H28 F12 N8 O8 -","4","1","","You, Chang; Yuan, Tingting; Huang, Yanzhen; Pi, Chao; Wu, Yangjie; Cui, Xiuling","Rhodium-catalyzed regioselective C8-H amination of quinoline N-oxides with trifluoroacetamide at room temperature.","Organic & biomolecular chemistry","2018","16","25","4728","4733","10.1039/c8ob01108g","","x-ray","1.54184","CuKα","","0.0513","0.0438","","","0.131","0.1427","","","","","","1.04","","","","has coordinates,has disorder","230758","2020-10-21","18:00:00",""
"7156272","9.2521","0.0005","9.8028","0.0005","9.9294","0.0005","75.679","0.001","88.544","0.002","79.757","0.002","858.51","0.08","120","2","120.05","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C38 H42 N2 O10 -","2","1","","Chen, Rongxiang; Ogunlana, Abosede Adejoke; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Bao, Xiaoguang; Wan, Xiaobing","In situ generation of nitrile oxides from copper carbene and tert-butyl nitrite: synthesis of fully substituted isoxazoles.","Organic & biomolecular chemistry","2018","16","25","4683","4687","10.1039/c8ob01067f","","","0.71073","MoKα","","0.0427","0.0368","","","0.1098","0.1212","","","","","","1.151","","","","has coordinates","230753","2020-10-21","18:00:00",""
"7156273","6.2246","0.0002","26.4216","0.0012","8.1454","0.0004","90","","93.774","0.003","90","","1336.72","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1S*,2S*,3S*,4S*,5S*)-6-butyl-5-(hydroxymethyl)-6-azabicyclo[3.2.0]heptane-2,3,4-triol","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Malinowski, Maciej; Hensienne, Raphaël; Kern, Nicolas; Tardieu, Damien; Bodlenner, Anne; Hazelard, Damien; Compain, Philippe","Stereocontrolled synthesis of polyhydroxylated bicyclic azetidines as a new class of iminosugars.","Organic & biomolecular chemistry","2018","16","25","4688","4700","10.1039/c8ob01065j","","","1.54178","CuKα","","0.1035","0.0902","","","0.2406","0.2501","","","","","","1.117","","","","has coordinates","230752","2020-10-21","18:00:00",""
"7156274","10.5259","0.0011","10.5345","0.0011","10.834","0.0011","91.068","0.006","104.536","0.007","100.359","0.007","1141.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O5 S -","- C26 H24 N2 O5 S -","- C52 H48 N4 O10 S2 -","2","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","1.54187","CuKα","","0.1098","0.0839","","","0.2221","0.2507","","","","","","1.133","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156275","11.8735","0.0003","18.6709","0.0004","11.878","0.0003","90","","90","","90","","2633.22","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H27 N3 O4 S -","- C31 H27 N3 O4 S -","- C124 H108 N12 O16 S4 -","4","1","","de la Concepción, Juan García; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","On the dual reactivity of a Janus-type mesoionic dipole: experiments and theoretical validation.","Organic & biomolecular chemistry","2018","16","26","4778","4783","10.1039/c8ob01195h","","x-ray","0.71073","MoKα","","0.0315","0.0295","","","0.0712","0.0723","","","","","","1.038","","","","has coordinates","230698","2020-10-21","18:00:00",""
"7156276","7.5123","0.0003","12.1628","0.0006","12.1719","0.0004","63.522","0.001","79.736","0.001","89.681","0.002","976.11","0.07","303","2","303","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br O4 S -","- C20 H19 Br O4 S -","- C40 H38 Br2 O8 S2 -","2","1","","Hou, Yading; Zhang, Yuwen; Tong, Xiaofeng","Phosphine-catalysed α-umpolung addition of nucleophiles to δ-acetoxy allenoates: stereoselective synthesis of 2,4-dienoates.","Organic & biomolecular chemistry","2018","16","29","5245","5249","10.1039/c8ob00933c","","","0.71073","MoKα","","0.0978","0.0427","","","0.0926","0.1121","","","","","","1.016","","","","has coordinates","230576","2020-10-21","18:00:00",""
"7156277","17.9063","0.0005","21.5998","0.0006","33.6902","0.0009","90","","90","","90","","13030.4","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","compound 6a","[nBu4N][(N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-2-methyl?propan?imid-amidato-kappaN)(phenyl)borate]","","- C32 H52 B N3 O2 -","- C32 H52 B N3 O2 -","- C512 H832 B16 N48 O32 -","16","2","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.1221","0.074","","","0.2023","0.2436","","","","","","1.028","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156278","8.9","0.0002","9.5626","0.0003","15.9864","0.0005","90","","98.4476","0.001","90","","1345.8","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 7","3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0409","0.0403","","","0.1058","0.1064","","","","","","1.034","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156279","9.7871","0.0003","17.5209","0.0004","19.0833","0.0005","90","","94.1963","0.0016","90","","3263.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 6b","Tetra-n-butylammonium {N?-(hydroxy-kappaO)-N-{2-(hydroxy-kappaO)phenyl}-benzene?carboximidamidato-kappaN}(phenyl)borate","","- C35 H50 B N3 O2 -","- C35 H50 B N3 O2 -","- C140 H200 B4 N12 O8 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0727","0.0624","","","0.1706","0.1793","","","","","","1.051","","","","has coordinates","230703","2020-10-21","18:00:00",""
"7156280","12.7713","0.0002","7.9352","0.00014","17.9462","0.0003","90","","94.7903","0.0007","90","","1812.37","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 2","4-(2-methyl-4-phenyl-1,3,5,2-oxadiazaborol-3(2H)-yl)benzenesulfonamide","","- C17 H21 B N3 O3 S -","- C17 H21 B N3 O3 S -","- C68 H84 B4 N12 O12 S4 -","4","1","","Boghi, Michele; Hall, Dennis G.","Valdecoxib vs. borazavaldecoxib: isoxazole BN/CC isosterism as a case study in designing and stabilizing boron heterocycles.","Organic & biomolecular chemistry","2018","16","26","4849","4856","10.1039/c8ob00998h","","","1.54178","CuKα","","0.0579","0.0553","","","0.1678","0.1704","","","","","","1.08","","","","has coordinates,has disorder","230703","2020-10-21","18:00:00",""
"7156281","5.6897","0.0003","11.2486","0.0005","45.457","0.002","90","","90","","90","","2909.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Br N O4 S -","- C28 H44 Br N O4 S -","- C112 H176 Br4 N4 O16 S4 -","4","1","","Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos","Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.","Organic & biomolecular chemistry","2018","16","25","4650","4658","10.1039/c8ob01139g","","","0.71073","MoKα","","0.0865","0.0663","","","0.1092","0.117","","","","","","1.154","","","","has coordinates","230755","2020-10-21","18:00:00",""
"7156282","19.497","0.005","8.597","0.002","19.553","0.004","90","","90","","90","","3277.4","1.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C160 H152 N24 O8 -","8","1","","Kumar, Avnish; Tiwari, Dharmendra Kumar; Sridhar, Balasubramanian; Likhar, Pravin R.","Unprecedented synthesis of 1,2,3-triazolo-cinnolinone via Sonogashira coupling and intramolecular cyclization.","Organic & biomolecular chemistry","2018","16","26","4840","4848","10.1039/c8ob01152d","","","0.71073","MoKα","","0.053","0.044","","","0.1133","0.1199","","","","","","1.047","","","","has coordinates","230700","2020-10-21","18:00:00",""
"7156283","12.1505","0.0014","10.471","0.0013","10.2881","0.0014","90","","90","","90","","1308.9","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H10 F2 N4 O8 -","- C10 H10 F2 N4 O8 -","- C40 H40 F8 N16 O32 -","4","0.5","","Zhang, Jian; Ling, Yi-Fei; Wang, Gui-Xiang; Zhang, Lin; Luo, Jun","Synthesis of two new gem-fluoronitro containing tetranitroadamantanes and property comparison with their nitro and gem-dinitro analogues.","Organic & biomolecular chemistry","2018","16","26","4784","4788","10.1039/c8ob01140k","","","0.71073","MoKα","","0.0593","0.0509","","","0.1354","0.142","","","","","","1.067","","","","has coordinates","230699","2020-10-21","18:00:00",""
"7156284","25.58","0.02","7.18","0.005","16.94","0.015","90","","125.27","0.03","90","","2540","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H38 N2 O3 S -","- C25 H38 N2 O3 S -","- C100 H152 N8 O12 S4 -","4","1","","Kennington, Stuart C. D.; Gómez-Palomino, Alejandro; Salomó, Ernest; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","General and stereoselective aminoxylation of biradical titanium(iv) enolates with TEMPO: a detailed study on the effect of the chiral auxiliary.","Organic & biomolecular chemistry","2018","16","26","4807","4815","10.1039/c8ob01074a","","","0.71073","MoKα","","0.0631","0.052","","","0.1416","0.1499","","","","","","1.047","","","","has coordinates","230702","2020-10-21","18:00:00",""
"7156285","7.3579","0.0003","8.8158","0.0004","15.8511","0.0007","85.431","0.001","88.543","0.001","72.739","0.001","978.77","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 Br N3 O5 S -","- C19 H16 Br N3 O5 S -","- C38 H32 Br2 N6 O10 S2 -","2","1","","Zhao, Mei-Xin; Dong, Zhi-Wen; Zhu, Guang-Yu; Zhao, Xiao-Li; Shi, Min","Diastereo- and enantioselective Mannich/cyclization cascade reaction of isocyanoacetates with cyclic sulfamide ketimines by cinchona alkaloid squaramide/AgOAc cooperative catalysis.","Organic & biomolecular chemistry","2018","16","25","4641","4649","10.1039/c8ob01090k","","","0.71073","MoKα","","0.0397","0.0342","","","0.0907","0.0941","","","","","","1.057","","","","has coordinates","230756","2020-10-21","18:00:00",""
"7156286","10.1449","0.0002","11.6133","0.0003","40.0056","0.0009","90","","90","","90","","4713.29","0.19","302","2","301.85","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 1-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-4-phenylisoquinoline-3-carboxylate","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C232 H208 N16 O24 -","8","1","","Xu, Yulong; Chen, Hao; Li, Wei; Xie, Qiong; Yu, Linqian; Shao, Liming","Synthetic access to isoxazoline-functionalized isoquinolines via microwave-assisted iminoxyl radical-participated cascade cyclization of vinyl isocyanides.","Organic & biomolecular chemistry","2018","16","27","4996","5005","10.1039/c8ob01229f","","","1.54178","CuKα","","0.0668","0.051","","","0.1284","0.1408","","","","","","1.021","","","","has coordinates","230618","2020-10-21","18:00:00",""
"7156287","10.471","0.004","10.038","0.003","13.551","0.005","90","","101.028","0.005","90","","1398","0.9","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O3 S -","- C14 H11 N3 O3 S -","- C56 H44 N12 O12 S4 -","4","1","","Wang, Qijun; Wang, Chang; Shi, Wangyu; Xiao, Yumei; Guo, Hongchao","Pd-Catalyzed diastereoselective [3 + 2] cycloaddition of vinylcyclopropanes with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2018","16","26","4881","4887","10.1039/c8ob01231h","","","0.71073","MoKα","","0.0595","0.0545","","","0.124","0.1274","","","","","","1.138","","","","has coordinates","230701","2020-10-21","18:00:00",""
"7156288","6.2383","0.0001","15.367","0.0002","32.9494","0.0005","90","","90","","90","","3158.66","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl N3 Ni O4 -","- C36 H40 Cl N3 Ni O4 -","- C144 H160 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.","Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.","Organic & biomolecular chemistry","2018","16","27","4968","4972","10.1039/c8ob00963e","","x-ray","1.54184","CuKα","","0.0308","0.0288","","","0.0691","0.0702","","","","","","1.043","","","","has coordinates","230624","2020-10-21","18:00:00",""
"7156289","10.287","0.002","11.291","0.002","20.866","0.004","90","","90","","90","","2423.6","0.8","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hsu, Day-Shin; Liou, Chang-Yan","Total synthesis and structural revision of (±)-nidemone.","Organic & biomolecular chemistry","2018","16","27","4990","4995","10.1039/c8ob01207e","","","0.71073","MoKα","","0.0506","0.0406","","","0.1168","0.1315","","","","","","1.09","","","","has coordinates","230622","2020-10-21","18:00:00",""
"7156290","14.1176","0.0003","22.1778","0.0004","11.231","0.0002","90","","100.087","0.0019","90","","3462.05","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 F24 N4 P4 -","- C56 H40 F24 N4 P4 -","- C112 H80 F48 N8 P8 -","2","0.5","","Chen, Long; Lim, Kate J. C.; Babra, Tahkur S.; Taylor, James O.; PiŽl, Martin; Evans, Robert; Chippindale, Ann M.; Hartl, František; Colquhoun, Howard M.; Greenland, Barnaby W.","A macrocyclic receptor containing two viologen species connected by conjugated terphenyl groups.","Organic & biomolecular chemistry","2018","16","27","5006","5015","10.1039/c8ob00919h","","","1.5418","CuKα","","0.0883","0.076","","0.0895","0.0847","0.083","","","","","","0.9403","","","","has coordinates","230621","2020-10-21","18:00:00",""
"7156291","23.0931","0.0006","6.0038","0.0002","29.114","0.0007","90","","99.674","0.001","90","","3979.15","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C168 H224 N16 O16 -","8","1","","Wei, Yuanyuan; Wang, Jie; Wang, Yajun; Yao, Xiaoqiang; Yang, Caixia; Huo, Congde","Auto-oxidation promoted sp<sup>3</sup> C-H arylation of glycine derivatives.","Organic & biomolecular chemistry","2018","16","27","4985","4989","10.1039/c8ob01068d","","","0.71073","MoKα","","0.0737","0.0552","","","0.1524","0.1624","","","","","","0.986","","","","has coordinates","230625","2020-10-21","18:00:00",""
"7156292","8.8458","0.0007","12.0478","0.0009","13.9043","0.001","89.408","0.006","83.302","0.006","72.134","0.007","1400.22","0.19","108.5","0.5","108.5","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 B Cl2 F4 N2 -","- C31 H25 B Cl2 F4 N2 -","- C62 H50 B2 Cl4 F8 N4 -","2","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0865","0.0502","","","0.0968","0.1089","","","","","","1.016","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156293","7.5213","0.0002","16.0289","0.0005","17.7564","0.0006","90","","91.742","0.003","90","","2139.69","0.11","135","0.1","135","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cl Ir N2 -","- C25 H26 Cl Ir N2 -","- C100 H104 Cl4 Ir4 N8 -","4","2","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.0358","0.0316","","","0.0487","0.0504","","","","","","1.011","","","","has coordinates","230619","2020-10-21","18:00:00",""
"7156294","13.7632","0.0009","12.7539","0.0009","16.2519","0.0013","90","","99.002","0.007","90","","2817.6","0.4","135","0.1","135","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Cl2 F6 N2 P -","- C30 H23 Cl2 F6 N2 P -","- C120 H92 Cl8 F24 N8 P4 -","4","1","","Wang, Zhuo; Li, Tongyu; Xing, Siyang; Zhu, Bolin","Facile and practical synthesis of β-carbolinium salts and γ-carbolinium salts via rhodium-catalyzed three-component reactions.","Organic & biomolecular chemistry","2018","16","27","5021","5026","10.1039/c8ob01182f","","x-ray","0.71073","MoKα","","0.1155","0.0775","","","0.1685","0.1937","","","","","","1.034","","","","has coordinates,has disorder","230619","2020-10-21","18:00:00",""
"7156295","11.66","0.014","12.07","0.009","18.027","0.013","90","","100.58","0.07","90","","2494","4","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O4 Si -","- C26 H32 O4 Si -","- C104 H128 O16 Si4 -","4","1","","Acharyya, Ranjan Kumar; Nanda, Samik","Asymmetric total synthesis of naturally occurring spirocyclic tetranorsesquiterpenoid lanceolactone A.","Organic & biomolecular chemistry","2018","16","27","5027","5035","10.1039/c8ob01328d","","","0.71073","MoKα","","0.1092","0.0499","","","0.1272","0.1623","","","","","","0.894","","","","has coordinates","230620","2020-10-21","18:00:00",""
"7156296","17.347","0.002","8.8962","0.0015","14.148","0.002","90","","112.523","0.014","90","","2016.8","0.5","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 B F5 N3 O S -","- C20 H17 B F5 N3 O S -","- C80 H68 B4 F20 N12 O4 S4 -","4","1","","Lugovik, Kseniya I.; Eltyshev, Alexander K.; Suntsova, Polina O.; Smoluk, Leonid T.; Belousova, Anna V.; Ulitko, Maria V.; Minin, Artem S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Fluorescent boron complexes based on new N,O-chelates as promising candidates for flow cytometry.","Organic & biomolecular chemistry","2018","16","28","5150","5162","10.1039/c8ob00868j","","","0.71073","MoKα","","0.207","0.05","","","0.0888","0.1009","","","","","","1","","","","has coordinates,has disorder","230577","2020-10-21","18:00:00",""
"7156297","15.5285","0.0011","12.2909","0.0009","18.3647","0.0013","90","","90","","90","","3505.1","0.4","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C152 H144 Cl8 N8 O24 S8 -","8","1","","Maheshwar Rao, B.; Yadav, J. S.; Sridhar, B.; Subba Reddy, B. V.","Silver(i)-catalyzed sequential hydroamination and Prins type cyclization for the synthesis of fused benzo-δ-sultams.","Organic & biomolecular chemistry","2018","16","28","5163","5166","10.1039/c8ob00918j","","","0.71073","MoKα","","0.0649","0.0575","","","0.1637","0.1716","","","","","","1.062","","","","has coordinates","230580","2020-10-21","18:00:00",""
"7156301","8.0402","0.0017","9.8828","0.0018","13.696","0.002","99.883","0.015","90.997","0.015","109.551","0.018","1007","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C44 H54 N6 O4 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1095","0.0485","","","0.1226","0.1717","","","","","","0.888","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156302","9.955","0.002","15.804","0.003","13.546","0.002","90","","108.143","0.016","90","","2025.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 O2 -","- C26 H19 N3 O2 -","- C104 H76 N12 O8 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.1626","0.0694","","","0.1651","0.2267","","","","","","0.915","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156303","8.6576","0.0005","15.744","0.0009","16.1197","0.0009","89.599","0.004","78.285","0.005","84.114","0.005","2139.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H60 N4 O4 -","- C49 H60 N4 O4 -","- C98 H120 N8 O8 -","2","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0639","0.048","","","0.1309","0.157","","","","","","1.063","","","","has coordinates","230578","2020-10-21","18:00:00",""
"7156304","13.6871","0.0008","18.5215","0.0011","18.0498","0.001","90","","108.711","0.005","90","","4333.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H68 N4 O4 -","- C45 H68 N4 O4 -","- C180 H272 N16 O16 -","4","1","","Bąk, Krzysztof M; Chabuda, Krzysztof; Montes, Helena; Quesada, Roberto; Chmielewski, Michał J","1,8-Diamidocarbazoles: an easily tuneable family of fluorescent anion sensors and transporters.","Organic & biomolecular chemistry","2018","16","28","5188","5196","10.1039/c8ob01031e","","","0.71073","MoKα","","0.0796","0.0495","","","0.1247","0.1561","","","","","","1.046","","","","has coordinates,has disorder","230578","2020-10-21","18:00:00",""
"7156305","9.683","0.003","21.363","0.006","14.386","0.004","90","","109.097","0.003","90","","2812.1","1.4","173","2","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 N2 O3 -","- C33 H39 N2 O3 -","- C132 H156 N8 O12 -","4","1","","Liu, Qi; Liu, Jie-Jie; Cheng, Liang; Wang, Dong; Liu, Li","TEMPO promoted direct multi-functionalization of terminal alkynes with 2-oxindoles/benzofuran-2(3H)-one.","Organic & biomolecular chemistry","2018","16","29","5228","5231","10.1039/c8ob01380b","","","0.71073","MoKα","","0.0826","0.0748","","","0.1671","0.1726","","","","","","1.178","","","","has coordinates","230575","2020-10-21","18:00:00",""
"7156306","13.5505","0.0019","14.85","0.002","16.762","0.002","90","","90","","90","","3372.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O3 S2 -","- C34 H46 N4 O3 S2 -","- C136 H184 N16 O12 S8 -","4","1","","Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu","A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.","Organic & biomolecular chemistry","2018","16","29","5343","5349","10.1039/c8ob01315b","","","0.71073","MoKα","","0.1665","0.1028","","","0.256","0.3001","","","","","","1.065","","","","has coordinates","230574","2020-10-21","18:00:00",""
"7156307","7.8053","0.0018","8.2606","0.0017","11.869","0.002","91.064","0.017","108.89","0.02","113.92","0.02","651.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(3-(3-nitro-2H-indazol-2-yl)phenyl)ethanone","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C30 H22 N6 O6 -","2","1","","Murugan, Arumugavel; Gorantla, Koteswar Rao; Mallik, Bhabani S.; Sharada, Duddu S.","Iron promoted C3-H nitration of 2H-indazole: direct access to 3-nitro-2H-indazoles.","Organic & biomolecular chemistry","2018","16","28","5113","5118","10.1039/c8ob00931g","","","0.71073","MoKα","","0.1431","0.0643","","","0.106","0.1402","","","","","","1.0545","","","","has coordinates","230579","2020-10-21","18:00:00",""
"7156308","8.7773","0.0004","16.6542","0.0008","21.9525","0.001","90","","90","","90","","3209","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 N2 O -","- C43 H38 N2 O -","- C172 H152 N8 O4 -","4","1","","Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng","A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones.","Organic & biomolecular chemistry","2018","16","30","5457","5464","10.1039/c8ob01427b","","","1.34139","GaKα","","0.0421","0.0366","","","0.0814","0.085","","","","","","1.03","","","","has coordinates","230806","2020-10-21","18:00:00",""
"7156309","9.541","0.003","14.222","0.004","12.432","0.003","90","","110.54","0.03","90","","1579.7","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","biphenyl","4'-Bromo-3-piperidin-1-yl-biphenyl-4-carbonitrile","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Yadav, Pratik; Shaw, Ranjay; Elagamy, Amr; Kumar, Abhinav; Pratap, Ramendra","Base controlled diverse reactivity of allyl cyanide for synthesis of multi-substituted benzenes.","Organic & biomolecular chemistry","2018","16","30","5465","5473","10.1039/c8ob01270a","","","0.71073","MoKα","","0.1354","0.065","","","0.1571","0.1983","","","","","","1.032","","","","has coordinates","230807","2020-10-21","18:00:00",""
"7156310","11.8968","0.0011","18.4254","0.0017","10.7033","0.0008","90","","103.556","0.008","90","","2280.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","Unknown","","- C23 H25 F N3 O4 -","- C23 H25 F N3 O4 -","- C92 H100 F4 N12 O16 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","An organocatalytic asymmetric Mannich reaction for the synthesis of 3,3-disubstituted-3,4-dihydro-2-quinolones.","Organic & biomolecular chemistry","2018","16","30","5407","5411","10.1039/c8ob01399c","","x-ray","0.71073","MoKα","","0.0982","0.0567","","","0.1208","0.1468","","","","","","1.051","","","","has coordinates","230803","2020-10-21","18:00:00",""
"7156311","8.139","0.003","13.44","0.004","13.65","0.005","102.732","0.005","104.959","0.005","107.249","0.005","1304.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H28 Cl3 N3 O6 S2 -","- C23.5 H28 Cl3 N3 O6 S2 -","- C47 H56 Cl6 N6 O12 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0873","0.0695","","","0.1896","0.2048","","","","","","1.057","","","","has coordinates,has disorder","230804","2020-10-21","18:00:00",""
"7156312","9.0264","0.0016","9.0426","0.0016","17.336","0.003","76.843","0.003","80.437","0.003","65.448","0.003","1249.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Cl2 N3 O5 S2 -","- C23 H27 Cl2 N3 O5 S2 -","- C46 H54 Cl4 N6 O10 S4 -","2","1","","Liu, Guotao; Chen, Weijie; Xu, Zhiqiang; Ye, Fengying; Pan, Yingle; Chen, Xiaoqiang; Liu, Sheng Hua; Zeng, Lintao; Yin, Jun","Regulating glutathione-responsiveness of naphthalimide-based fluorescent probes by an oxidation strategy.","Organic & biomolecular chemistry","2018","16","30","5517","5523","10.1039/c8ob01258j","","","0.71073","MoKα","","0.0939","0.0762","","","0.2196","0.2441","","","","","","1.069","","","","has coordinates","230804","2020-10-21","18:00:00",""
"7156313","11.6879","0.0008","18.2014","0.0011","8.4879","0.0004","90","","102.767","0.005","90","","1761.04","0.18","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0643","0.0432","","","0.1065","0.1221","","","","","","1.037","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156314","8.2097","0.0006","11.3718","0.001","11.432","0.0009","63.44","0.008","84.691","0.006","84.975","0.007","949.27","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C36 H50 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0915","0.0524","","","0.0917","0.1075","","","","","","0.952","","","","has coordinates,has disorder","230808","2020-10-21","18:00:00",""
"7156315","10.8106","0.001","5.454","0.0005","11.7245","0.001","90","","104.012","0.005","90","","670.72","0.11","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C26 H30 N2 O8 S2 -","2","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.0693","0.0544","","","0.1414","0.155","","","","","","1.1","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156316","17.4085","0.001","6.2355","0.0003","17.4828","0.0011","90","","99.565","0.006","90","","1871.39","0.19","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.0669","0.0462","","","0.1089","0.1228","","","","","","1.023","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156317","9.1241","0.0002","13.2825","0.0002","25.2487","0.0005","90","","94.118","0.001","90","","3052.01","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C120 H168 N8 O24 S8 -","8","2","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","1.54178","CuKα","","0.041","0.0344","","","0.0863","0.091","","","","","","1.059","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156318","27.193","0.003","8.6013","0.0007","16.525","0.0017","90","","101.302","0.011","90","","3790.2","0.7","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Wen, Ke; Wu, Zhengxing; Chen, Buyun; Chen, Jianzhong; Zhang, Wanbin","Pd(ii)-Catalyzed aerobic 1,2-difunctionalization of conjugated dienes: efficient synthesis of morpholines and 2-morpholones.","Organic & biomolecular chemistry","2018","16","31","5618","5625","10.1039/c8ob01291a","","","0.71073","MoKα","","0.1006","0.0554","","","0.1352","0.1687","","","","","","1.048","","","","has coordinates","230808","2020-10-21","18:00:00",""
"7156319","15.92","0.0013","5.8083","0.0004","20.4496","0.0014","90","","100.147","0.007","90","","1861.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,5,6-tetrafluoro-4-[4-[(4-methoxyphenyl)ethynyl]phenylethynyl]anisole","","- C24 H14 F4 O2 -","- C24 H14 F4 O2 -","- C96 H56 F16 O8 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0666","0.0578","","","0.1468","0.1519","","","","","","1.101","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156320","11.4515","0.0006","4.9051","0.0003","39.555","0.002","90","","90","","90","","2221.8","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene","","- C28 H21 F5 O -","- C28 H21 F5 O -","- C112 H84 F20 O4 -","4","1","","Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu","Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.","Organic & biomolecular chemistry","2018","16","31","5609","5617","10.1039/c8ob01497c","","","0.71073","MoKα","","0.0456","0.0404","","","0.0876","0.0908","","","","","","1.048","","","","has coordinates","230812","2020-10-21","18:00:00",""
"7156321","23.851","0.001","7.4217","0.0004","7.8859","0.0004","90","","90","","90","","1395.92","0.12","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","1,3-diphenylimidazo[1,5-a]pyridine","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","0.5","","Hu, Zhiyuan; Hou, Jiao; Liu, Jie; Yu, Wenquan; Chang, Junbiao","Synthesis of imidazo[1,5-a]pyridines via I<sub>2</sub>-mediated sp<sup>3</sup> C-H amination.","Organic & biomolecular chemistry","2018","16","31","5653","5660","10.1039/c8ob01501e","","x-ray","1.54184","CuKα","","0.0334","0.0316","","","0.0834","0.0864","","","","","","1.057","","","","has coordinates","230809","2020-10-21","18:00:00",""
"7156322","7.4307","0.0005","10.8091","0.0007","14.322","0.0008","88.506","0.005","89.846","0.005","83.022","0.005","1141.42","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18 N2 O7 -","- C26 H18 N2 O7 -","- C52 H36 N4 O14 -","2","1","","Wang, Zhi-Peng; He, Yun; Shao, Pan-Lin","Transition-metal-free synthesis of polysubstituted pyrrole derivatives via cyclization of methyl isocyanoacetate with aurone analogues.","Organic & biomolecular chemistry","2018","16","30","5422","5426","10.1039/c8ob01558a","","","0.71073","MoKα","","0.0776","0.0525","","","0.1201","0.1387","","","","","","1.047","","","","has coordinates","230805","2020-10-21","18:00:00",""
"7156323","15.8276","0.0007","16.5142","0.0007","15.0083","0.0008","90","","114.514","0.006","90","","3569.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C180 H168 N12 -","6","1.5","","Huang, Li; Cao, Ying-Juan; Sun, Xiang-Ying; Liu, Bin; Shen, Jiang-Shan","Diverse applications of TMB-based sensing probes.","Organic & biomolecular chemistry","2018","16","31","5667","5676","10.1039/c8ob01364k","","","0.71073","MoKα","","0.1224","0.0566","","","0.118","0.1503","","","","","","0.942","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156324","9.812","0.002","15.26","0.003","18.464","0.004","108.25","0.03","98.59","0.03","92.69","0.03","2583.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O2 -","- C17 H11 N O2 -","- C136 H88 N8 O16 -","8","4","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.1223","0.0634","","","0.1133","0.138","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156325","10.067","0.002","9.1332","0.0018","15.755","0.003","90","","103.76","0.03","90","","1407","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Br N O2 -","- C17 H10 Br N O2 -","- C68 H40 Br4 N4 O8 -","4","1","","Zhang, Wei; Yang, Chen; Pan, Yu-Liang; Li, Xin; Cheng, Jin-Pei","Synthesis of 3-cyanomethylated coumarins by a visible-light-mediated direct cyanomethylation of aryl alkynoates.","Organic & biomolecular chemistry","2018","16","32","5788","5792","10.1039/c8ob01513a","","","0.71073","MoKα","","0.0687","0.0398","","","0.0749","0.0824","","","","","","0.998","","","","has coordinates","230630","2020-10-21","18:00:00",""
"7156326","8.7914","0.001","16.8836","0.0019","17.728","0.002","90","","90","","90","","2631.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O4 S2 -","- C24 H24 Br N3 O4 S2 -","- C96 H96 Br4 N12 O16 S8 -","4","1","","Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan","Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.","Organic & biomolecular chemistry","2018","16","32","5780","5787","10.1039/c8ob01524d","","","0.71073","MoKα","","0.0453","0.0322","","","0.0687","0.0737","","","","","","1.015","","","","has coordinates","230631","2020-10-21","18:00:00",""
"7156327","27.1192","0.0008","27.1192","0.0008","6.0742","0.0002","90","","90","","90","","4467.3","0.2","100","2","100","2","","","","","","","","4","P 42","P 4c","77","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C168 H256 N16 O48 -","8","2","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","0.71073","MoKα","","0.0649","0.0442","","","0.0809","0.0889","","","","","","1.024","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156328","7.1313","0.0016","8.764","0.002","17.546","0.004","90","","91.71","0.005","90","","1096.1","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C52 H50 N6 O10 -","2","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0517","0.0517","","","0.1368","0.1368","","","","","","1.027","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156329","8.5893","0.0015","11.638","0.002","22.452","0.004","90","","90","","90","","2244.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 -","- C21 H30 N2 O7 -","- C84 H120 N8 O28 -","4","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0349","0.0341","","","0.0892","0.0899","","","","","","1.059","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156330","9.0593","0.0002","12.1761","0.0002","12.5506","0.0002","74.493","0.001","89.579","0.001","84.484","0.001","1327.6","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","- C50 H44 Cl12 O12 -","1","0.5","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","","1.54178","CuKα","","0.0252","0.0245","","","0.0633","0.0637","","","","","","1.069","","","","has coordinates","230810","2020-10-21","18:00:00",""
"7156331","10.0667","0.0004","16.1954","0.0007","19.0021","0.0008","111.109","0.004","94.141","0.004","100.255","0.004","2812.4","0.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49.55 H48.64 Cl11.68 N2 O10 -","- C49.548 H48.644 Cl11.678 N2 O10 -","- C99.096 H97.288 Cl23.356 N4 O20 -","2","1","","Wang, Denan; Ivanov, Maxim V.; Mirzaei, Saber; Lindeman, Sergey V.; Rathore, Rajendra","An electron-transfer induced conformational transformation: from non-cofacial ""sofa"" to cofacial ""boat"" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes.","Organic & biomolecular chemistry","2018","16","31","5712","5717","10.1039/c8ob01118d","","x-ray","1.54184","CuKα","","0.0995","0.0664","","","0.184","0.2048","","","","","","0.955","","","","has coordinates,has disorder","230810","2020-10-21","18:00:00",""
"7156332","9.1731","0.0009","12.2931","0.0011","12.4614","0.0012","64.335","0.002","84.712","0.003","79.181","0.003","1244","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Cl2 N3 O2 -","- C28 H23 Cl2 N3 O2 -","- C56 H46 Cl4 N6 O4 -","2","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.1478","0.0889","","","0.2313","0.2641","","","","","","1.042","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156333","10.7906","0.0006","10.2626","0.0005","17.5715","0.0009","90","","102.945","0.003","90","","1896.41","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C92 H68 N12 O12 -","4","1","","Liao, Huiwu; Peng, Xiangjun; Hu, Dan; Xu, Xianyun; Huang, Panpan; Liu, Qian; Liu, Liangxian","CoCl<sub>2</sub>-promoted TEMPO oxidative homocoupling of indoles: access to tryptanthrin derivatives.","Organic & biomolecular chemistry","2018","16","31","5699","5706","10.1039/c8ob01216d","","","0.71073","MoKα","","0.0617","0.0419","","","0.1064","0.1165","","","","","","1.065","","","","has coordinates","230813","2020-10-21","18:00:00",""
"7156334","12.899","0.002","7.78","0.002","13.924","0.001","90","","94.602","0.009","90","","1392.8","0.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-hydroxy-3-(2?-chlorobenzoyl)-5-nitro-1H-indole","","","- C15 H9 Cl N2 O4 -","- C15 H9 Cl N2 O4 -","- C60 H36 Cl4 N8 O16 -","4","1","","Ieronimo, Gabriella; Palmisano, Giovanni; Maspero, Angelo; Marzorati, Alessandro; Scapinello, Luca; Masciocchi, Norberto; Cravotto, Giancarlo; Barge, Alessandro; Simonetti, Marco; Ameta, Keshav Lalit; Nicholas, Kenneth M.; Penoni, Andrea","A novel synthesis of N-hydroxy-3-aroylindoles and 3-aroylindoles.","Organic & biomolecular chemistry","2018","16","38","6853","6859","10.1039/c8ob01471j","","","0.71073","MoKα","","0.054","0.0376","","","0.0863","0.0951","","","","","","1.008","","","","has coordinates","230872","2020-10-21","18:00:00",""
"7156335","19.409","0.011","22.804","0.014","7.899","0.005","90","","90","","90","","3496","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C144 H168 N8 O32 S8 -","8","2","","Devi, Runjun; Das, Jonali; Sarma, Bipul; Das, Sajal Kumar","Phenolate-induced intramolecular ring-opening cyclization of N-tosylaziridines: access to functionalized benzoxacycles.","Organic & biomolecular chemistry","2018","16","32","5846","5858","10.1039/c8ob01143e","","","0.71073","MoKα","","0.2092","0.0691","","","0.1368","0.1922","","","","","","0.935","","","","has coordinates","230633","2020-10-21","18:00:00",""
"7156336","9.114","0.004","8.76","0.003","11.937","0.005","90","","98.233","0.006","90","","943.2","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C40 H42 Cl2 N4 O6 -","2","1","","Xu, Gang; Tong, Chaodi; Cui, Sunliang; Dai, Liyan","A silver catalyzed domino reaction of N-cyanamide alkenes and 1,3-dicarbonyls for the synthesis of quinazolinones.","Organic & biomolecular chemistry","2018","16","32","5899","5906","10.1039/c8ob01252k","","","0.71073","MoKα","","0.0793","0.0503","","","0.1011","0.1109","","","","","","1.035","","","","has coordinates","230634","2020-10-21","18:00:00",""
"7156337","10.5691","0.0018","12.489","0.002","13.082","0.002","113.373","0.005","95.324","0.005","113.736","0.005","1384","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Br N3 O3 -","- C30 H30 Br N3 O3 -","- C60 H60 Br2 N6 O6 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1185","0.0577","","","0.1171","0.1391","","","","","","1.041","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156338","6.8547","0.0015","15.209","0.003","23.124","0.005","90","","98.52","","90","","2384.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O4 -","- C25 H22 Br N3 O4 -","- C100 H88 Br4 N12 O16 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2521","0.0833","","","0.1701","0.2262","","","","","","0.916","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156339","5.3424","0.0018","19.837","0.006","19.534","0.006","90","","103.226","0.01","90","","2015.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 Br N O2 -","- C25 H16 Br N O2 -","- C100 H64 Br4 N4 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.2514","0.0778","","","0.1415","0.1961","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156340","9.2635","0.0005","11.3364","0.0006","11.3467","0.0006","86.529","0.002","72.466","0.002","78.713","0.002","1114.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br Cl N2 O2 -","- C24 H20 Br Cl N2 O2 -","- C48 H40 Br2 Cl2 N4 O4 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0865","0.043","","","0.0873","0.1","","","","","","1.02","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156341","10.1744","0.0008","12.6935","0.0011","13.136","0.0012","113.581","0.003","93.921","0.003","112.484","0.002","1386.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.106","0.0568","","","0.1206","0.1386","","","","","","1.021","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156342","6.8119","0.0012","15.187","0.003","22.922","0.004","90","","98.315","0.005","90","","2346.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 N2 O2 -","- C25 H22 Br2 N2 O2 -","- C100 H88 Br8 N8 O8 -","4","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1449","0.0613","","","0.1198","0.1467","","","","","","1.004","","","","has coordinates,has disorder","230636","2020-10-21","18:00:00",""
"7156343","9.0719","0.0004","11.2308","0.0004","11.5065","0.0004","80.422","0.001","76.363","0.001","70.848","0.001","1071.15","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br N3 O4 -","- C24 H20 Br N3 O4 -","- C48 H40 Br2 N6 O8 -","2","1","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.0406","0.0255","","","0.0612","0.0633","","","","","","1.065","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156344","9.933","0.0007","12.4636","0.0012","23.3748","0.0016","93.564","0.003","97.108","0.002","113.474","0.002","2614.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Cl N3 O3 -","- C29 H28 Cl N3 O3 -","- C116 H112 Cl4 N12 O12 -","4","2","","Jiang, Wang; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Molecular diversity of the domino annulation reaction of 2-aryl-3-nitrochromenes with pivaloylacetonitriles.","Organic & biomolecular chemistry","2018","16","32","5816","5822","10.1039/c8ob01504j","","","0.71073","MoKα","","0.1733","0.0678","","","0.1084","0.1338","","","","","","1.008","","","","has coordinates","230636","2020-10-21","18:00:00",""
"7156345","6.44998","0.0001","20.5679","0.0003","23.9334","0.0004","90","","94.4481","0.0015","90","","3165.5","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N O4 -","- C17 H20 F N O4 -","- C136 H160 F8 N8 O32 -","8","2","","Griggs, Samuel D.; Thompson, Nathan; Tape, Daniel T.; Fabre, Marie; Clarke, Paul A.","Synthesis of highly substituted 2-spiropiperidines.","Organic & biomolecular chemistry","2018","16","36","6663","6674","10.1039/c8ob01272e","","x-ray","1.54184","CuKα","","0.0457","0.0362","","","0.0855","0.0912","","","","","","1.033","","","","has coordinates","230838","2020-10-21","18:00:00",""
"7156346","8.6049","0.0017","11.226","0.002","12.391","0.003","113.15","0.03","98.39","0.03","96.47","0.03","1069.6","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 I N2 O S -","- C24 H19 I N2 O S -","- C48 H38 I2 N4 O2 S2 -","2","1","","Wu, Jing; Kong, Yuanfang; Liu, Lingyan; Chang, Weixing; Li, Jing","Metal-free multicomponent cascade reactions of homopropargylic amines and acyl chlorides as well as potassium thiocyanate and diiodine: an access to thiazine imides.","Organic & biomolecular chemistry","2018","16","33","5955","5959","10.1039/c8ob01557k","","","0.71073","MoKα","","0.0419","0.0372","","","0.1023","0.1051","","","","","","1.056","","","","has coordinates","230649","2020-10-21","18:00:00",""
"7156347","10.8798","0.0001","18.4104","0.0001","14.5081","0.0001","90","","90","","90","","2905.99","0.04","150","","150","","","","","","","","from U of Wollongong","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 N2 O3 -","- C19 H14 N2 O3 -","- C152 H112 N16 O24 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","1.54184","CuKα","","0.0316","0.03","","0.0746","0.0734","0.0746","","","","","","1.0045","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156348","23.5193","0.0013","11.6263","0.0007","9.3856","0.0005","90","","90.966","0.005","90","","2566.1","0.3","150","","150","","","","","","","","from U of Wollongong","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N3 O4 S -","- C31 H25 N3 O4 S -","- C124 H100 N12 O16 S4 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.117","0.0706","","0.1532","0.1319","0.1532","","","","","","1.0135","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156349","23.9584","0.0007","9.6484","0.0003","16.009","0.0006","90","","90.165","0.003","90","","3700.6","0.2","150","","150","","","","","","","","from U of Wollongong","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 N2 O6 -","- C23 H18 N2 O6 -","- C184 H144 N16 O48 -","8","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","","0.71073","MoKα","","0.0474","0.0443","","0.1093","0.1074","0.1093","","","","","","1.0328","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156350","10.5565","0.0002","14.9406","0.0002","25.9563","0.0004","90","","90","","90","","4093.84","0.11","150","","150.01","0.1","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35.85 Cl4.15 N4 O8 -","- C42 H35.85 Cl4.15 N4 O8 -","- C168 H143.4 Cl16.6 N16 O32 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0769","0.0684","","0.1506","0.1456","0.1506","","","","","","0.9821","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156351","8.6464","0.00007","11.41283","0.00008","17.69376","0.00013","90","","90","","90","","1746.02","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0306","0.0302","","0.0812","0.0807","0.0812","","","","","","1.0034","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156352","9.4743","0.0005","10.9625","0.0005","15.3255","0.0007","69.302","0.001","81.446","0.002","65.245","0.002","1352.17","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Tsavoenones A","","","- C28 H28 O12 -","- C28 H28 O12 -","- C56 H56 O24 -","2","1","","Duong, Thuc-Huy; Beniddir, Mehdi A.; Genta-Jouve, Grégory; Aree, Thammarat; Chollet-Krugler, Marylène; Boustie, Joël; Ferron, Solenn; Sauvager, Aurélie; Nguyen, Huu-Hung; Nguyen, Kim-Phi-Phung; Chavasiri, Warinthorn; Le Pogam, Pierre","Tsavoenones A-C: unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen Parmotrema tsavoense.","Organic & biomolecular chemistry","2018","16","32","5913","5919","10.1039/c8ob01280f","","","0.71073","MoKα","","0.1032","0.0555","","","0.1394","0.1642","","","","","","1.039","","","","has coordinates","230635","2020-10-21","18:00:00",""
"7156353","7.6583","0.0009","11.7333","0.0012","25.007","0.002","90","","95.687","0.011","90","","2236","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O6 -","- C25 H22 N4 O6 -","- C100 H88 N16 O24 -","4","1","","Gao, Xing; Shan, Chunhui; Chen, Zhihao; Liu, Yan; Zhao, Xia; Zhang, Ao; Yu, Peng; Galons, Hervé; Lan, Yu; Lu, Kui","One-pot synthesis of β-lactams by the Ugi and Michael addition cascade reaction.","Organic & biomolecular chemistry","2018","16","33","6096","6105","10.1039/c8ob01176a","","x-ray","0.71073","MoKα","","0.0671","0.0527","","","0.1199","0.1239","","","","","","1.031","","","","has coordinates","230656","2020-10-21","18:00:00",""
"7156354","11.1611","0.0007","18.4375","0.0011","23.2735","0.0012","90","","90","","90","","4789.3","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H58 N2 O9 S -","- C55 H58 N2 O9 S -","- C220 H232 N8 O36 S4 -","4","1","","Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir","""Choose-a-size"" control in the synthesis of sucrose based urea and thiourea macrocycles.","Organic & biomolecular chemistry","2018","16","33","6063","6069","10.1039/c8ob01340c","","","0.71073","MoKα","","0.1075","0.0635","","","0.1471","0.1795","","","","","","0.911","","","","has coordinates","230651","2020-10-21","18:00:00",""
"7156355","11.2505","0.0007","11.5713","0.001","13.0127","0.0009","86.119","0.006","84.314","0.006","65.589","0.007","1534.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C68 H66 N6 O12 -","2","1","","Guo, Jiaomei; Zhao, Yang; Fang, Dongmei; Wang, Qilin; Bu, Zhanwei","Diastereoselective construction of pyrrolo[2,1-a]isoquinoline-based bispirooxindoles through a three-component [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","33","6025","6034","10.1039/c8ob01493k","","x-ray","0.71073","MoKα","","0.1021","0.0551","","","0.119","0.1458","","","","","","1.023","","","","has coordinates","230653","2020-10-21","18:00:00",""
"7156356","9.1202","0.001","8.3186","0.001","33.169","0.007","90","","90","","90","","2516.4","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H6 F7 N2 -","- C11 H6 F7 N2 -","- C88 H48 F56 N16 -","8","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.1468","0.1311","","","0.3738","0.4","","","","","","1.523","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156357","4.3659","0.0006","22.675","0.003","8.74","0.0012","90","","92.88","0.014","90","","864.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F2 N2 -","- C9 H8 F2 N2 -","- C36 H32 F8 N8 -","4","1","","Wang, Hui; Tu, Yuan-Hong; Liu, De-Yong; Hu, Xiang-Guo","Cu-Catalyzed/mediated synthesis of N-fluoroalkylanilines from arylboronic acids: fluorine effect on the reactivity of fluoroalkylamines.","Organic & biomolecular chemistry","2018","16","36","6634","6637","10.1039/c8ob01581c","","","0.71073","MoKα","","0.0852","0.0759","","","0.1972","0.212","","","","","","0.975","","","","has coordinates","230840","2020-10-21","18:00:00",""
"7156358","8.9053","0.0002","29.8896","0.0007","10.0393","0.0002","90","","113.921","0.001","90","","2442.69","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","2","","Cai, Yue; Gu, Qing; You, Shu-Li","Chemoselective N-H functionalization of indole derivatives via the Reissert-type reaction catalyzed by a chiral phosphoric acid.","Organic & biomolecular chemistry","2018","16","33","6146","6154","10.1039/c8ob01863d","","","1.54178","CuKα","","0.0865","0.0698","","","0.1763","0.1981","","","","","","1.026","","","","has coordinates","230654","2020-10-21","18:00:00",""
"7156359","9.1068","0.0005","13.5461","0.0009","26.1677","0.0013","90","","90","","90","","3228.1","0.3","293","2","293.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H14 O2 -","- C23 H14 O2 -","- C184 H112 O16 -","8","1","","Addepalli, Yesu; Yu, Zhimei; Ji, Jie; Zou, Cheng; Wang, Zhen; He, Yun","Tandem Diels-Alder/oxidation-aromatization reactions involving 2-styrylchromones and arynes.","Organic & biomolecular chemistry","2018","16","33","6077","6085","10.1039/c8ob01199k","","x-ray","0.71073","MoKα","","0.0861","0.054","","","0.1203","0.1393","","","","","","1.024","","","","has coordinates","230657","2020-10-21","18:00:00",""
"7156360","10.1392","0.0004","10.1392","0.0004","28.1205","0.0016","90","","90","","90","","2890.9","0.2","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","2","","Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei","Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.","Organic & biomolecular chemistry","2018","16","34","6284","6294","10.1039/c8ob01400k","","","1.54178","CuKα","","0.0531","0.039","","","0.0943","0.101","","","","","","1.021","","","","has coordinates","230861","2020-10-21","18:00:00",""
"7156361","8.863","0.0006","6.941","0.0004","14.038","0.001","90","","104.114","0.007","90","","837.52","0.1","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C42 H34 N6 O2 -","2","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0821","0.0838","","","","","","1.067","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156362","9.4056","0.0012","7.0317","0.0008","28.179","0.003","90","","94.395","0.01","90","","1858.2","0.4","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","1","","Shinde, Vikki N.; Dhiman, Shiv; Krishnan, Rangan; Kumar, Dalip; Kumar, Anil","Synthesis of imidazopyridine-fused indoles via one-pot sequential Knoevenagel condensation and cross dehydrogenative coupling.","Organic & biomolecular chemistry","2018","16","33","6123","6132","10.1039/c8ob01449c","","x-ray","0.71073","MoKα","","0.0407","0.0324","","","0.0821","0.0862","","","","","","1.039","","","","has coordinates","230658","2020-10-21","18:00:00",""
"7156363","9.2351","0.00017","14.6347","0.0003","25.4336","0.0005","90","","96.9605","0.0007","90","","3412.09","0.12","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C144 H152 N8 O48 -","8","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0375","0.0364","","","0.0934","0.0943","","","","","","1.07","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156364","5.15537","0.00009","43.3613","0.0008","8.36326","0.00015","90","","111.741","0.0007","90","","1736.56","0.05","188","2","188","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Br O6 -","- C17 H19 Br O6 -","- C68 H76 Br4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.0369","0.035","","","0.0856","0.0868","","","","","","1.082","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156365","9.59148","0.00017","8.88839","0.00016","20.6593","0.0004","90","","95.3754","0.0007","90","","1753.52","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O6 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Tateishi, Keiichiro; Noguchi, Keiichi; Saito, Akio","2-Picoline catalyst-triggered [2 + 2 + 2] cycloaddition-type reaction of acetylenedicarboxylates, aldehydes and alkenes.","Organic & biomolecular chemistry","2018","16","33","5965","5968","10.1039/c8ob01774c","","","1.54187","CuKα","","0.036","0.035","","","0.094","0.0948","","","","","","1.059","","","","has coordinates","230650","2020-10-21","18:00:00",""
"7156366","13.6734","0.00019","10.41568","0.00013","27.6271","0.0004","90","","103.065","0.0014","90","","3832.73","0.09","100.01","0.13","100.01","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H43 N3 O8 -","- C44 H43 N3 O8 -","- C176 H172 N12 O32 -","4","2","","Knudsen, Ida M. B.; Hedberg, Christinne; Ladefoged, Lucy Kate; Ide, Daisuke; Brinkø, Anne; Eikeland, Espen Z.; Kato, Atsushi; Jensen, Henrik H.","Divergent synthesis of new α-glucosidase inhibitors obtained through a vinyl Grignard-mediated carbocyclisation.","Organic & biomolecular chemistry","2018","16","34","6250","6261","10.1039/c8ob01433g","","x-ray","0.71073","MoKα","","0.0479","0.0381","","","0.0832","0.0889","","","","","","1.06","","","","has coordinates","230862","2020-10-21","18:00:00",""
"7156367","8.1375","0.0004","8.1375","0.0004","22.67","0.0015","90","","90","","90","","1501.18","0.14","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C17 H10 Cl F2 N O2 -","- C17 H10 Cl F2 N O2 -","- C68 H40 Cl4 F8 N4 O8 -","4","1","","Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying","Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.","Organic & biomolecular chemistry","2018","16","33","6133","6139","10.1039/c8ob01731j","","","1.54184","CuKα","","0.0403","0.0368","","","0.0941","0.0986","","","","","","1.05","","","","has coordinates","230655","2020-10-21","18:00:00",""
"7156368","9.6135","0.0005","10.5171","0.0005","12.3679","0.0005","72.018","0.003","70.4","0.004","89.928","0.004","1113.15","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C60 H44 N4 O2 -","2","1","","Yang, Kai; Bao, Xiaoze; Yao, Ye; Qu, Jingping; Wang, Baomin","Iodine-mediated cross-dehydrogenative coupling of pyrazolones and alkenes.","Organic & biomolecular chemistry","2018","16","34","6275","6283","10.1039/c8ob01645c","","","0.71073","MoKα","","0.087","0.0499","","","0.1218","0.1518","","","","","","1.049","","","","has coordinates","230864","2020-10-21","18:00:00",""
"7156369","8.6452","0.0005","11.1356","0.0005","15.0205","0.0006","108.623","0.004","91.819","0.004","111.122","0.004","1260.49","0.12","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C60 H62 N6 O8 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","1.5418","CuKα","","0.0472","0.0407","","","0.1054","0.1108","","","","","","1.064","","","","has coordinates","230865","2020-10-21","18:00:00",""
"7156370","10.5365","0.0013","10.715","0.0009","11.866","0.002","64.644","0.013","70.132","0.014","77.884","0.009","1135.3","0.3","130","0.1","130","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O4.06 -","- C28 H28 N2 O4.0647 -","- C56 H56 N4 O8.1294 -","2","1","","Murphy, Rhys B.; Pham, Duc-Truc; White, Jonathan M.; Lincoln, Stephen F.; Johnston, Martin R.","Molecular tweezers with a rotationally restricted linker and freely rotating porphyrin moieties.","Organic & biomolecular chemistry","2018","16","34","6206","6223","10.1039/c8ob00944a","","","0.7107","MoKα","","0.0581","0.0486","","","0.1311","0.1401","","","","","","1.065","","","","has coordinates,has disorder","230865","2020-10-21","18:00:00",""
"7156371","6.9737","0.0003","23.8115","0.0009","11.0278","0.0005","90","","98.529","0.004","90","","1810.96","0.13","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","PYD-138","","- C18 H21 B Br N O4 -","- C18 H21 B Br N O4 -","- C72 H84 B4 Br4 N4 O16 -","4","1","","Pang, Yadong; Kojima, Ryoto; Ito, Hajime","Copper(i)-catalysed stereoselective debromoborylation of aliphatic 1,1-dibromo-1-alkenes with bis(pinacolato)diboron.","Organic & biomolecular chemistry","2018","16","34","6187","6190","10.1039/c8ob01778f","","x-ray","0.71073","MoKα","","0.0441","0.0303","","","0.062","0.0655","","","","","","1.019","","","","has coordinates","230859","2020-10-21","18:00:00",""
"7156372","10.811","0.0004","11.3987","0.0003","11.7982","0.0004","90","","104.616","0.004","90","","1406.86","0.08","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","(R)-6, 6?-HMSIOL","","","- C29 H42 O3 -","- C29 H42 O3 -","- C58 H84 O6 -","2","1","","Shan, Huanyu; Pan, Rihuang; Lin, Xufeng","Synthesis and application of a new chiral monodentate spiro phosphoramidite ligand based on hexamethyl-1,1'-spirobiindane backbone in asymmetric hydroamination/arylation of alkenes.","Organic & biomolecular chemistry","2018","16","34","6183","6186","10.1039/c8ob01785a","","","1.54184","CuKα","","0.0563","0.0466","","","0.124","0.1356","","","","","","1.029","","","","has coordinates","230860","2020-10-21","18:00:00",""
"7156373","7.2446","0.0003","10.9482","0.0005","21.3662","0.0009","90","","98.091","0.003","90","","1677.8","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B Br O4 -","- C16 H20 B Br O4 -","- C64 H80 B4 Br4 O16 -","4","1","","Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan","trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.","Organic & biomolecular chemistry","2018","16","34","6341","6349","10.1039/c8ob01343h","","","0.71073","MoKα","","0.055","0.0418","","","0.0887","0.0965","","","","","","1.091","","","","has coordinates","230858","2020-10-21","18:00:00",""
"7156374","14.1337","0.0016","10.2364","0.0011","8.868","0.0011","90","","97.306","0.002","90","","1272.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Li, Xiao-Fang; Shi, Lin-Feng; Zhang, Xing-Guo; Zhang, Xiao-Hong","Pd-Catalyzed C(sp<sup>2</sup>)-H aminocarbonylation using the Langlois reagent as a carbonyl source.","Organic & biomolecular chemistry","2018","16","35","6438","6442","10.1039/c8ob01421c","","","0.71073","MoKα","","0.0316","0.0306","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates","230846","2020-10-21","18:00:00",""
"7156375","27.492","0.006","10.71","0.002","20.869","0.005","90","","131.125","0.006","90","","4628.6","1.8","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H28 Cl N3 O2 -","- C23 H28 Cl N3 O2 -","- C184 H224 Cl8 N24 O16 -","8","2","","Ren, Zhi-Lin; He, Ping; Lu, Wen-Ting; Sun, Mei; Ding, Ming-Wu","Synthesis of iminoisoindolinones via a cascade of the three-component Ugi reaction, palladium catalyzed isocyanide insertion, hydroxylation and an unexpected rearrangement reaction.","Organic & biomolecular chemistry","2018","16","34","6322","6331","10.1039/c8ob01728j","","","0.71073","MoKα","","0.0605","0.0445","","","0.115","0.1269","","","","","","0.979","","","","has coordinates","230863","2020-10-21","18:00:00",""
"7156376","7.5644","0.0002","19.5682","0.0006","9.8133","0.0003","90","","105.002","0.003","90","","1403.07","0.07","293","2","293","2","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C31 H26 N4 O6 S -","- C31 H26 N4 O6 S -","- C62 H52 N8 O12 S2 -","2","1","","Sharma, Vivek; Kaur, Anmolpreet; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Enantioselective 1,4-Michael addition reaction of pyrazolin-5-one derivatives with 2-enoylpyridines catalyzed by Cinchona derived squaramides.","Organic & biomolecular chemistry","2018","16","35","6470","6478","10.1039/c8ob01588k","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0784","0.0819","","","","","","1.041","","","","has coordinates","230847","2020-10-21","18:00:00",""
"7156377","11.7078","0.0004","23.2759","0.0007","12.9884","0.0005","90","","90.62","0.003","90","","3539.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 Cl12 N10 -","- C66 H76 Cl12.002 N10 -","- C132 H152 Cl24.004 N20 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0747","0.0489","","","0.1051","0.1178","","","","","","1.023","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156378","24.8236","0.001","16.309","0.0006","10.9728","0.0004","90","","90","","90","","4442.3","0.3","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C49 H56 B Cl3 N6 -","- C49 H56 B Cl3 N6 -","- C196 H224 B4 Cl12 N24 -","4","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0311","0.0293","","","0.0739","0.0754","","","","","","1.049","","","","has coordinates,has disorder","230842","2020-10-21","18:00:00",""
"7156379","6.0419","0.0005","16.2175","0.0013","31.008","0.002","90","","95.305","0.003","90","","3025.3","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H70 N12 O Zn -","- C60 H70 N12 O Zn -","- C120 H140 N24 O2 Zn2 -","2","0.5","","Liebold, Martin; Sharikow, Eugen; Seikel, Elisabeth; Trombach, Lukas; Harms, Klaus; Zimcik, Petr; Novakova, Veronika; Tonner, Ralf; Sundermeyer, Jörg","An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units.","Organic & biomolecular chemistry","2018","16","35","6586","6599","10.1039/c8ob01705k","","","0.71073","MoKα","","0.0826","0.058","","","0.1364","0.1467","","","","","","1.021","","","","has coordinates","230842","2020-10-21","18:00:00",""
"7156380","7.53","0.003","5.649","0.002","23.594","0.009","90","","96.387","0.006","90","","997.4","0.7","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 F N O5 -","- C22 H24 F N O5 -","- C44 H48 F2 N2 O10 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0786","0.0768","","","0.2055","0.2068","","","","","","1.196","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156381","7.9683","0.0003","16.3532","0.0006","23.8547","0.0009","90","","90","","90","","3108.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","1","0.25","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","1.54184","CuKα","","0.04","0.0385","","","0.0982","0.0992","","","","","","1.03","","","","has coordinates,has disorder","230849","2020-10-21","18:00:00",""
"7156382","6.6706","0.001","25.351","0.004","11.3316","0.0017","90","","89.9","","90","","1916.2","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Br2 N2 O10 -","- C40 H40 Br2 N2 O10 -","- C80 H80 Br4 N4 O20 -","2","1","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","0.71073","MoKα","","0.0668","0.0587","","","0.1627","0.1664","","","","","","1.036","","","","has coordinates","230849","2020-10-21","18:00:00",""
"7156383","9.5617","0.0018","9.7384","0.0018","10.228","0.002","75.27","0.017","68.659","0.018","61.422","0.019","775.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 F2 N O2 -","- C19 H15 F2 N O2 -","- C38 H30 F4 N2 O4 -","2","1","","Mai, Wen-Peng; Wang, Fei; Zhang, Xiao-Feng; Wang, Shi-Min; Duan, Qun-Peng; Lu, Kui","Nickel-catalysed radical tandem cyclisation/arylation: practical synthesis of 4-benzyl-3,3-difluoro-γ-lactams.","Organic & biomolecular chemistry","2018","16","35","6491","6498","10.1039/c8ob01389f","","x-ray","1.54184","CuKα","","0.0719","0.0582","","","0.1635","0.1824","","","","","","1.093","","","","has coordinates","230843","2020-10-21","18:00:00",""
"7156384","14.3887","0.0013","9.1859","0.0008","24.515","0.002","90","","90","","90","","3240.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0553","0.0364","","","0.0903","0.1059","","","","","","1.044","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156385","9.4746","0.0004","9.4905","0.0004","9.7931","0.0004","78.081","0.001","70.166","0.001","77.527","0.001","800.24","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O -","- C21 H21 N O -","- C42 H42 N2 O2 -","2","1","","Zhang, Xiao-Yu; Yang, Song; Wei, Yin; Shi, Min","Thermally-induced intramolecular [2 + 2] cycloaddition of acrylamide-tethered alkylidenecyclopropanes.","Organic & biomolecular chemistry","2018","16","35","6399","6404","10.1039/c8ob01765d","","","0.71073","MoKα","","0.0535","0.0454","","","0.1083","0.1159","","","","","","1.035","","","","has coordinates","230848","2020-10-21","18:00:00",""
"7156386","9.1935","0.0001","14.7832","0.0002","30.8543","0.0005","90","","90","","90","","4193.39","0.1","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 Cl N O7 P Pd -","- C45 H45 Cl N O7 P Pd -","- C180 H180 Cl4 N4 O28 P4 Pd4 -","4","1","","Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.","Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.","Organic & biomolecular chemistry","2018","16","35","6395","6398","10.1039/c8ob01919c","","","0.71073","MoKα","","0.0912","0.0586","","","0.1037","0.1153","","","","","","1.063","","","","has coordinates","230844","2020-10-21","18:00:00",""
"7156387","14.4456","0.0003","9.07642","0.00017","22.7259","0.0005","90","","90","","90","","2979.69","0.11","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C136 H112 N16 O16 S8 -","8","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.1068","0.093","","","0.2366","0.2464","","","","","","1.165","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156388","11.7047","0.0002","10.3186","0.0002","13.6857","0.0003","90","","113.046","0.003","90","","1520.99","0.06","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C68 H56 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Dhage, Nagsen Munjaji; Mohanta, Nirmala; Peruncheralathan, S.","Nickel catalyzed site selective C-H functionalization of α-aryl-thioamides.","Organic & biomolecular chemistry","2018","16","35","6405","6409","10.1039/c8ob01712c","","x-ray","1.54184","CuKα","","0.0467","0.0443","","","0.1217","0.1241","","","","","","1.0565","","","","has coordinates","230850","2020-10-21","18:00:00",""
"7156389","5.6165","0.0018","13.983","0.002","16.7686","0.0017","65.52","0.03","88.6","0.03","86.77","0.03","1196.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Cl N3 O8 S -","- C26 H20 Cl N3 O8 S -","- C52 H40 Cl2 N6 O16 S2 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","0.71073","MoKα","","0.2192","0.0706","","","0.101","0.1237","","","","","","0.898","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156390","8.8442","0.0002","10.8918","0.0002","11.5077","0.0003","90","","90.266","0.003","90","","1108.52","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl N2 O4 -","- C23 H23 Cl N2 O4 -","- C46 H46 Cl2 N4 O8 -","2","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Synthesis of polycyclic spirooxindoles via an asymmetric catalytic one-pot stepwise Aldol/chloroetherification/aromatization procedure.","Organic & biomolecular chemistry","2018","16","36","6647","6651","10.1039/c8ob01713a","","","1.54184","CuKα","","0.0535","0.0401","","","0.0909","0.0997","","","","","","1.024","","","","has coordinates","230837","2020-10-21","18:00:00",""
"7156391","9.6804","0.0014","24.788","0.004","10.418","0.0016","90","","109.906","0.004","90","","2350.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C104 H116 O12 P4 -","4","1","","Chen, Yao-Zhong; Zhu, Jie; Wu, Jin-Jin; Wu, Lei","Organobase catalyzed straightforward synthesis of phosphinyl functionalized 2H-pyran cores from allenylphosphine oxides and 1,3-diones.","Organic & biomolecular chemistry","2018","16","36","6675","6679","10.1039/c8ob01640b","","","0.71073","MoKα","","0.0789","0.049","","","0.128","0.1413","","","","","","1.027","","","","has coordinates","230839","2020-10-21","18:00:00",""
"7156393","10.9261","0.0003","10.6284","0.0003","12.9254","0.0004","90","","90.813","0.003","90","","1500.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl O2 -","- C18 H19 Cl O2 -","- C72 H76 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.059","0.0561","","","0.1542","0.1588","","","","","","1.042","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156394","6.07129","0.00017","18.3833","0.0005","12.037","0.0003","90","","101.88","0.003","90","","1314.68","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Wu, Wanqing; Li, Can; Li, Jianxiao; Jiang, Huanfeng","Palladium-catalyzed cascade carboesterification of norbornene with alkynes.","Organic & biomolecular chemistry","2018","16","44","8495","8504","10.1039/c8ob01799a","","x-ray","1.54184","CuKα","","0.0825","0.0815","","","0.2215","0.223","","","","","","1.034","","","","has coordinates","230604","2020-10-21","18:00:00",""
"7156395","12.3782","0.0003","12.3739","0.0003","15.7294","0.0004","90","","99.479","0.001","90","","2376.32","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,6-Bis(3-(trifluoromethyl)phenyl)-5,6-dihydrofuro[3,2-<i>b</i>:4,5-<i>b'</i>]diindole","","- C30 H16 F6 N2 O -","- C30.001 H16 F6.003 N2 O -","- C120.004 H64 F24.012 N8 O4 -","4","1","","Hoang, Huy Do; Janke, Julia; Amirjanyan, Aneta; Ghochikyan, Tariel; Flader, Anika; Villinger, Alexander; Ehlers, Peter; Lochbrunner, Stefan; Surkus, Annette-Enrica; Langer, Peter","Synthesis of furo[3,2-b:4,5-b']diindoles and their optical and electrochemical properties.","Organic & biomolecular chemistry","2018","16","35","6543","6551","10.1039/c8ob01737a","","","0.71073","MoKα","","0.1122","0.052","","","0.0971","0.122","","","","","","1.007","","","","has coordinates,has disorder","230845","2020-10-21","18:00:00",""
"7156396","15.538","0.005","6.0233","0.0019","37.422","0.012","90","","96.818","0.012","90","","3477.6","1.9","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C136 H152 N8 O32 S8 -","8","1","","Han, Teng; Luo, Xiaoyan","Thio-Michael addition of thioamides and allenes for the selective construction of polysubstituted 2-arylthiophenes via TBAI/H<sub>2</sub>O<sub>2</sub> promoted tandem oxidative annulation and 1,2-sulfur migration.","Organic & biomolecular chemistry","2018","16","37","8253","8257","10.1039/c8ob01835a","","","0.71073","MoKα","","0.1189","0.071","","","0.1658","0.1908","","","","","","1.055","","","","has coordinates,has disorder","230614","2020-10-21","18:00:00",""
"7156397","8.1025","0.0005","8.5681","0.0005","11.8342","0.0008","99.111","0.002","108.53","0.002","102.689","0.002","736.47","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C40 H28 O4 -","2","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","","0.71073","MoKα","","0.0664","0.0496","","","0.1317","0.1578","","","","","","0.999","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156398","5.206","0.0002","13.3385","0.0006","17.7829","0.0008","90","","90.2054","0.0017","90","","1234.84","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 O3 S -","- C15 H12 O3 S -","- C60 H48 O12 S4 -","4","1","","Chen, Kuo-Hsin; Chiang, Yi-Jung; Zhu, Jia-Liang","Rhodium-catalyzed cyclization of acceptor-substituted biphenyl α-diazoketones: a study of the substitution effect on chemoselectivity.","Organic & biomolecular chemistry","2018","16","37","8353","8364","10.1039/c8ob01489b","","x-ray","0.71073","MoKα","","0.0468","0.0375","","","0.0916","0.0984","","","","","","1.048","","","","has coordinates","230616","2020-10-21","18:00:00",""
"7156399","6.3713","0.0003","23.7413","0.0012","8.8276","0.0004","90","","103.695","0.005","90","","1297.33","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","carbamothioate","S-phenyl cyclohexylcarbamothioate","","- C13 H17 N O S -","- C13 H17 N O S -","- C52 H68 N4 O4 S4 -","4","1","","Pathare, Ramdas S.; Patil, Vikas; Kaur, Harpreet; Maurya, Antim K.; Agnihotri, Vijai K.; Khan, Shahnawaz; Devunuri, Nagaraju; Sharon, Ashoke; Sawant, Devesh M.","Iodine-catalyzed cross-coupling of isocyanides and thiols for the synthesis of S-thiocarbamates.","Organic & biomolecular chemistry","2018","16","37","8263","8266","10.1039/c8ob01855c","","","0.71073","MoKα","","0.064","0.0517","","","0.1229","0.131","","","","","","1.058","","","","has coordinates","230615","2020-10-21","18:00:00",""
"7156400","7.2834","0.0004","7.5733","0.0004","12.2004","0.0007","92.486","0.002","94.926","0.002","96.678","0.002","664.96","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","7,7-diethyl-8-methyl-7,8-dihydroimidazo[2',1':3,4][1,4,2]-diazaborinino[1,6,5-gh]purin-11-ium-7-uide","","- C13 H17 B N6 -","- C13 H17 B N6 -","- C26 H34 B2 N12 -","2","1","","Zhang, Jiaxi; Hübner, Eike G; Namyslo, Jan C.; Nieger, Martin; Schmidt, Andreas","Purine-substituted imidazolium mesomeric betaines and their tautomeric N-heterocyclic carbenes. Formation of a cyclic borane adduct.","Organic & biomolecular chemistry","2018","16","36","6801","6808","10.1039/c8ob01916a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0938","0.0952","","","","","","1.037","","","","has coordinates","230836","2020-10-21","18:00:00",""
"7156401","5.0234","0.0015","12.137","0.004","13.751","0.004","90","","99.8","0.02","90","","826.2","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N,2,4-Trimethylfuran-3-carboxamide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Sultana, Sabera; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok","Silver(i)/base-promoted propargyl alcohol-controlled regio- or stereoselective synthesis of furan-3-carboxamides and (Z)-enaminones.","Organic & biomolecular chemistry","2018","16","36","6749","6759","10.1039/c8ob01791c","","","0.71073","MoKα","","0.0556","0.0384","","","0.0884","0.1007","","","","","","1.011","","","","has coordinates","230841","2020-10-21","18:00:00",""
"7156402","5.1215","0.0015","9.156","0.003","20.332","0.006","98.617","0.011","95.001","0.01","97.261","0.01","929.6","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C46 H44 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1265","0.069","","","0.1476","0.1673","","","","","","1.025","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156403","8.697","0.004","11.477","0.004","12.404","0.005","93.694","0.009","96.086","0.01","106.015","0.01","1177.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 O -","- C29 H30 N2 O -","- C58 H60 N4 O2 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1124","0.0657","","","0.1645","0.1978","","","","","","1.019","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156404","18.218","0.004","7.7675","0.0018","18.549","0.004","90","","111.106","0.005","90","","2448.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N2 O Si -","- C28 H34 N2 O Si -","- C112 H136 N8 O4 Si4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Cobalt-catalyzed cyclization of benzamides with alkynes: a facile route to isoquinolones with hydrogen evolution.","Organic & biomolecular chemistry","2018","16","37","8384","8389","10.1039/c8ob01924j","","","0.71073","MoKα","","0.1056","0.0592","","","0.146","0.1782","","","","","","0.993","","","","has coordinates","230611","2020-10-21","18:00:00",""
"7156405","5.8896","0.0009","10.8408","0.0014","11.3786","0.0015","90","","102.397","0.005","90","","709.56","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H17 O6 -","- C15 H17 O6 -","- C30 H34 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0943","0.0599","","","0.1219","0.1344","","","","","","1.034","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156406","5.072","0.005","10.504","0.005","14.874","0.005","90","0.005","92.305","0.005","90","0.005","791.8","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C30 H40 O12 -","2","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.0809","0.0549","","","0.118","0.1275","","","","","","1.021","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156407","5.0069","0.0004","9.5409","0.0007","26.84","0.002","90","","90","","90","","1282.16","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.099","0.0568","","","0.1212","0.1464","","","","","","1.08","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156408","10.047","0.005","15.961","0.005","24.731","0.005","90","0.005","90","0.005","90","0.005","3966","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C40 H44 O20 -","- C40 H44 O20 -","- C160 H176 O80 -","4","0.5","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.062","0.0446","","","0.093","0.0997","","","","","","1.053","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156409","10.229","0.013","10.292","0.013","12.452","0.016","88.979","0.015","78.134","0.014","86.738","0.014","1281","3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Jiang, Xiao-Li; Wu, Shu-Fang; Wang, Jin-Rong; Lu, Han; Mei, Guang-Jian; Shi, Feng","The [4 + 2] cyclization/retro-Mannich reaction cascade of para-quinone methide derivatives with Pd-containing 1,4-dipoles.","Organic & biomolecular chemistry","2018","16","37","8395","8402","10.1039/c8ob01274a","","","0.71073","MoKα","","0.09","0.0638","","","0.1701","0.1889","","","","","","0.984","","","","has coordinates","230612","2020-10-21","18:00:00",""
"7156410","7.865","0.004","8.24","0.005","10.747","0.007","100.15","0.03","96.1","0.04","112.36","0.04","622.4","0.7","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-78","","- C30 H38 O3 -","- C30 H38 O3 -","- C30 H38 O3 -","1","1","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0456","0.042","","","0.1115","0.1173","","","","","","1.013","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156411","7.6619","0.0003","7.6737","0.0003","21.935","0.0009","97.812","0.002","92.511","0.002","94.499","0.002","1271.83","0.09","296","2","296","2","","","","","","","","3","P 1","P 1","1","","X-90","","- C30 H40 O2 -","- C30 H40 O2 -","- C60 H80 O4 -","2","2","","Xie, Yang-Guo; Guo, Yi-Gong; Wu, Guo-Jing; Zhu, Sheng-Lan; Cheng, Tao-Fang; Zhang, Yu; Yan, Shi-Kai; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopsides A-D, four rare guaiane dimers with two unique bridged pentacyclic skeletons from Xylopia vielana.","Organic & biomolecular chemistry","2018","16","37","8408","8412","10.1039/c8ob01689e","","","1.54178","CuKα","","0.0999","0.0931","","","0.2768","0.2842","","","","","","1.051","","","","has coordinates","230610","2020-10-21","18:00:00",""
"7156412","8.4187","0.0014","9.0328","0.0014","13.363","0.002","104.129","0.002","99.655","0.002","103.737","0.002","929.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0665","0.0499","","","0.1308","0.1393","","","","","","1.091","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156413","7.4925","0.0004","9.5061","0.0005","10.1328","0.0006","76.219","0.003","73.54","0.003","83.242","0.003","671.23","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 N2 O -","- C18 H10 N2 O -","- C36 H20 N4 O2 -","2","1","","He, Xinwei; Wang, Hui; Cai, Xiaoting; Li, Qianqian; Tao, Jiajia; Shang, Yongjia","FeCl<sub>3</sub>-promoted tandem 1,4-conjugate addition/6-endo-dig cyclization/oxidation of propargylamines and benzoylacetonitriles/malononitriles: direct access to functionalized 2-aryl-4H-chromenes.","Organic & biomolecular chemistry","2018","16","39","7191","7202","10.1039/c8ob01927d","","","0.71073","MoKα","","0.0843","0.0574","","","0.1244","0.142","","","","","","1.041","","","","has coordinates","230697","2020-10-21","18:00:00",""
"7156414","19.493","0.005","17.572","0.005","8.547","0.002","90","","93.428","0.004","90","","2922.4","1.3","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C[4]pAP(Hex4)","","","- C62 H92 N4 O6 -","- C62 H92 N4 O6 -","- C124 H184 N8 O12 -","2","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71075","MoKα","","0.0628","0.0491","","","0.1065","0.1136","","","","","","1.095","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156415","40.5482","0.0009","5.749","0.0001","26.1364","0.0007","90","","105.526","0.002","90","","5870.4","0.2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C[4]pAP(iBt-mBzl-iBt-mBzl)","","","- C59 H63 Cl9 N4 O6 -","- C59 H63 Cl9 N4 O6 -","- C236 H252 Cl36 N16 O24 -","4","0.5","","Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato","Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.","Organic & biomolecular chemistry","2018","16","44","8505","8512","10.1039/c8ob01962b","","","0.71073","MoKα","","0.0964","0.0865","","","0.2679","0.2767","","","","","","1.13","","","","has coordinates","230602","2020-10-21","18:00:00",""
"7156416","20.7367","0.0006","19.2582","0.0005","8.3754","0.0003","90","","90","","90","","3344.73","0.18","293","2","293","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C79 H90 O8 -","- C79 H90 O8 -","- C158 H180 O16 -","2","0.5","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.0545","0.0467","","","0.1216","0.1284","","","","","","1.03","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156417","9.8979","0.0003","22.3751","0.0008","16.4276","0.0005","90","","105.896","0.003","90","","3499","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Dimericursone B","","- C82 H92 O8 -","- C82 H92 O8 -","- C164 H184 O16 -","2","1","","Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang","Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.","Organic & biomolecular chemistry","2018","16","37","8305","8310","10.1039/c8ob02082e","","x-ray","1.54184","CuKα","","0.058","0.0496","","","0.1249","0.1344","","","","","","1.031","","","","has coordinates","230617","2020-10-21","18:00:00",""
"7156418","9.7271","0.0019","7.2173","0.0014","11.15","0.002","90","","111.74","0.03","90","","727.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H17 F3 N2 O8 -","- C10 H17 F3 N2 O8 -","- C20 H34 F6 N4 O16 -","2","1","","Voznesenskaia, Natalia G.; Shmatova, Olga I.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Enantioselective synthesis of α-perfluoroalkylated prolines, their 6,7-membered homologues and derivatives.","Organic & biomolecular chemistry","2018","16","38","7004","7011","10.1039/c8ob01223g","","","0.9699","synchrotron","","0.0815","0.0562","","","0.1165","0.1365","","","","","","0.91","","","","has coordinates","230875","2020-10-21","18:00:00",""
"7156419","14.457","0.008","7.977","0.004","25.613","0.014","90","","96.424","0.009","90","","2935","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N2 O4 -","- C17 H12 N2 O4 -","- C136 H96 N16 O32 -","8","2","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.1545","0.0875","","","0.2152","0.2721","","","","","","1.148","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156420","11.222","0.009","10.455","0.008","13.216","0.01","90","","104.726","0.013","90","","1500","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Br2 N2 O4 -","- C34 H24 Br2 N2 O4 -","- C68 H48 Br4 N4 O8 -","2","0.5","","Pan, Dalong; Chu, Jinpeng; Gao, Xianrui; Wang, Cuiping; Meng, Qingtao; Chi, Haijun; Dong, Yan; Duan, Chunying; Zhang, Zhiqiang","Regioselective N-1 and C-2 diacylation of 3-substituted indoles with arylglyoxal hydrates for the synthesis of indolyl diketones.","Organic & biomolecular chemistry","2018","16","38","6998","7003","10.1039/c8ob01776j","","","0.71073","MoKα","","0.0757","0.0665","","","0.1926","0.2026","","","","","","1.122","","","","has coordinates","230869","2020-10-21","18:00:00",""
"7156421","8.2385","0.0002","12.3118","0.0003","19.8734","0.0005","80.876","0.006","87.787","0.006","86.969","0.006","1986.55","0.09","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 N4 O6 S2 -","- C40 H56 N4 O6 S2 -","- C80 H112 N8 O12 S4 -","2","1","","Ito, Motoki; Nakagawa, Tomoya; Higuchi, Kazuhiro; Sugiyama, Shigeo","Dirhodium(ii)-catalyzed ortho C-H amination of sterically congested N,N-dialkylanilines.","Organic & biomolecular chemistry","2018","16","38","6876","6881","10.1039/c8ob01974f","","","1.54187","CuKα","","0.0383","0.0355","","","0.0943","0.0961","","","","","","1.044","","","","has coordinates","230874","2020-10-21","18:00:00",""
"7156422","26.8559","0.0007","5.3064","0.0001","13.945","0.0004","90","","101.233","0.001","90","","1949.21","0.08","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Furyl chalcone dimer","","- C26 H20 O6 -","- C26 H20 O6 -","- C104 H80 O24 -","4","0.5","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0398","0.0372","","","0.0931","0.0958","","","","","","1.067","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156423","9.3615","0.0003","11.4117","0.0004","12.4513","0.0004","105.753","0.002","98.617","0.002","95.08","0.002","1254.04","0.07","100","","100","","","","","","","","none","3","P -1","-P 1","2","","Parent Chalcone Dimer","","- C34 H28 O2 -","- C34 H28 O2 -","- C68 H56 O4 -","2","1","","Kashyap, Akshay; Bokosike, Treyvon K.; Bhuvanesh, Nattamai; Pattabiraman, Mahesh","Stereo- and regioselective photocycloaddition of extended alkenes using γ-cyclodextrin.","Organic & biomolecular chemistry","2018","16","38","6870","6875","10.1039/c8ob01966e","","","1.54178","CuKα","","0.0548","0.0452","","","0.1038","0.1102","","","","","","1.059","","","","has coordinates","230873","2020-10-21","18:00:00",""
"7156424","7.2405","0.0007","16.1028","0.0016","12.0426","0.0012","90","","91.275","0.002","90","","1403.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl O3 -","- C17 H15 Cl O3 -","- C68 H60 Cl4 O12 -","4","1","","Yang, Wei; Wang, Jingyi; Wang, He; Li, Lei; Guan, Yuekai; Xu, Xianxiu; Yu, Dayu","Rhodium(iii)-catalyzed three-component cascade synthesis of 6H-benzo[c]chromenes through C-H activation.","Organic & biomolecular chemistry","2018","16","38","6865","6869","10.1039/c8ob01938j","","","0.71073","MoKα","","0.085","0.0547","","","0.1337","0.1571","","","","","","1.028","","","","has coordinates","230868","2020-10-21","18:00:00",""
"7156425","11.4816","0.0008","12.2451","0.0006","16.6439","0.0009","90","","90","","90","","2340","0.2","292.64","0.1","292.64","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 N4 O Si -","- C24 H28 N4 O Si -","- C96 H112 N16 O4 Si4 -","4","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0538","0.038","","","0.085","0.0911","","","","","","1.041","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156426","6.543","0.0008","10.2385","0.0013","14.1084","0.0019","71.826","0.012","83.376","0.01","78.57","0.01","878.7","0.2","293","0.2","293","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N4 O Si -","- C15 H24 N4 O Si -","- C30 H48 N8 O2 Si2 -","2","1","","Xie, Ming-Sheng; Cheng, Xuan; Chen, Yang-Guang; Wu, Xiao-Xia; Qu, Gui-Rong; Guo, Hai-Ming","Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation.","Organic & biomolecular chemistry","2018","16","38","6890","6894","10.1039/c8ob02089b","","x-ray","0.71073","MoKα","","0.0993","0.0675","","","0.1548","0.1727","","","","","","1.049","","","","has coordinates","230870","2020-10-21","18:00:00",""
"7156427","8.811","0.003","20.892","0.008","10.95","0.004","90","","105.717","0.012","90","","1940.3","1.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Br N2 O3 -","- C24 H17 Br N2 O3 -","- C96 H68 Br4 N8 O12 -","4","1","","Su, Lin; Yu, Zheng; Ren, Peiling; Luo, Zhi; Hou, Wei; Xu, Hongtao","Ruthenium(ii)-catalyzed synthesis of indazolone-fused cinnolines via C-H coupling with diazo compounds.","Organic & biomolecular chemistry","2018","16","39","7236","7244","10.1039/c8ob02071j","","","0.71073","MoKα","","0.0661","0.0458","","","0.1138","0.1245","","","","","","1.042","","","","has coordinates","230696","2020-10-21","18:00:00",""
"7156428","13.0946","0.001","15.5628","0.0013","18.5598","0.0015","79.233","0.004","72.605","0.004","72.961","0.004","3430.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H87 Cl4 N7 O10 -","- C73 H87 Cl4 N7 O10 -","- C146 H174 Cl8 N14 O20 -","2","1","","Saura-Sanmartin, Adrian; Martinez-Cuezva, Alberto; Pastor, Aurelia; Bautista, Delia; Berna, Jose","Light-driven exchange between extended and contracted lasso-like isomers of a bistable [1]rotaxane.","Organic & biomolecular chemistry","2018","16","38","6980","6987","10.1039/c8ob02234h","","","0.71073","MoKα","","0.1042","0.0775","","","0.2158","0.2408","","","","","","1.016","","","","has coordinates,has disorder","230871","2020-10-21","18:00:00",""
"7156429","11.551","0.003","12.966","0.003","15.938","0.004","90","","104.819","0.006","90","","2307.6","1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 F N2 O4 -","- C30 H25 F N2 O4 -","- C120 H100 F4 N8 O16 -","4","1","","Gupta, Vijay; Pandey, Satish K.; Singh, Ravi P.","Facile synthesis of triphenylenes and triphenylene/phenanthrene fused heteroaromatics.","Organic & biomolecular chemistry","2018","16","39","7134","7138","10.1039/c8ob01930d","","","0.71073","MoKα","","0.1613","0.0953","","","0.2305","0.2775","","","","","","1.065","","","","has coordinates","230691","2020-10-21","18:00:00",""
"7156430","6.9592","0.0004","9.9148","0.0005","27.7881","0.0015","90","","90","","90","","1917.35","0.18","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.035","0.0337","","","0.0882","0.0894","","","","","","1.05","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156431","10.5475","0.0015","20.671","0.003","24.988","0.004","90","","90","","90","","5448.1","1.4","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C228 H216 F36 N12 O48 -","12","3","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.1068","0.0704","","","0.1662","0.1921","","","","","","0.981","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156432","8.0982","0.0007","16.4309","0.0013","10.0674","0.0008","90","","113.247","0.002","90","","1230.82","0.18","125","","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N O2 -","- C31 H31 N O2 -","- C62 H62 N2 O4 -","2","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.0686","0.0563","","","0.0942","0.0986","","","","","","1.146","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156433","7.6334","0.0016","14.828","0.003","15.793","0.003","90","","90","","90","","1787.6","0.6","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.051","0.0499","","","0.1238","0.125","","","","","","1.066","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156434","5.56","0.005","7.747","0.007","22.119","0.019","90","","91.199","0.016","90","","952.5","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.1177","0.0756","","","0.1612","0.1789","","","","","","0.934","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156435","10.1019","0.0017","9.4796","0.0016","9.9375","0.0017","90","","90","","90","","951.6","0.3","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0415","0.0378","","","0.0851","0.0865","","","","","","1.035","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156436","5.605","0.002","7.129","0.003","24.013","0.009","90","","90","","90","","959.5","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0563","0.0478","","","0.1044","0.1075","","","","","","1.086","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156437","8.3403","0.0002","15.6568","0.0004","16.7849","0.0004","90","","90","","90","","2191.81","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 Br O5 -","- C26 H17 Br O5 -","- C104 H68 Br4 O20 -","4","1","","Xu, Han; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Catalytic asymmetric Tamura cycloaddition of homophthalic anhydrides with 2-arylidene-1,3-diones.","Organic & biomolecular chemistry","2018","16","39","7214","7222","10.1039/c8ob01970c","","","0.71073","MoKα","","0.0327","0.0276","","","0.0669","0.0694","","","","","","1.022","","","","has coordinates","230695","2020-10-21","18:00:00",""
"7156438","16.19","0.002","19.621","0.003","8.6624","0.0015","90","","95.873","0.013","90","","2737.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N2 O4 -","- C31 H26 N2 O4 -","- C124 H104 N8 O16 -","4","1","","Wang, Qing; Huang, Kun; Cai, Songtao; Liu, Chang; Jiao, Xiaojie; He, Song; Zhao, Liancheng; Zeng, Xianshun","Synthesis of near-infrared fluorescent rhodamines via an S<sub>N</sub>Ar<sup>H</sup> reaction and their biological applications.","Organic & biomolecular chemistry","2018","16","39","7163","7169","10.1039/c8ob01701h","","x-ray","0.71073","MoKα","","0.1093","0.0577","","","0.1378","0.1599","","","","","","0.918","","","","has coordinates","230694","2020-10-21","18:00:00",""
"7156439","9.4624","0.0008","10.6408","0.0009","12.1773","0.0011","65.565","0.001","86.673","0.002","68.952","0.001","1035.87","0.16","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Wang, Jia-Yin; Xie, Feng-Lie; Hu, Jian-Qiang; Yang, Shi-Zhao; Wang, You-Jian; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Atom-economic synthesis of cyclobuta[a]naphthalen-4-ols via a base-promoted [2 + 2] cycloaddition/1,6-nucleophilic addition cascade.","Organic & biomolecular chemistry","2018","16","39","7104","7108","10.1039/c8ob02042f","","","0.71073","MoKα","","0.0755","0.0471","","","0.1048","0.1151","","","","","","1.049","","","","has coordinates","230692","2020-10-21","18:00:00",""
"7156440","7.2034","0.0005","10.7772","0.0007","10.7933","0.0007","103.292","0.006","93.266","0.005","105.419","0.006","779.86","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C40 H40 N4 -","2","1","","Pan, Xuan; Ma, Yantao; Liu, Zhanzhu","A concise synthesis of (E)-3-aryl-2,3,4,5-tetrahydro-1H-3-benzazonines by aryne induced [2,3] Stevens rearrangement of 1,2,3,4-tetrahydroisoquinolines.","Organic & biomolecular chemistry","2018","16","40","7393","7399","10.1039/c8ob02099j","","x-ray","0.71073","MoKα","","0.0545","0.0445","","","0.1043","0.1132","","","","","","1.03","","","","has coordinates","230782","2020-10-21","18:00:00",""
"7156441","8.9977","0.0004","10.0861","0.0006","14.7007","0.0006","86.402","0.004","72.916","0.004","65.81","0.005","1160.73","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","- C44 H66 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0466","0.0422","","","0.1138","0.12","","","","","","1.035","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156442","8.7113","0.0004","9.9865","0.0005","14.7594","0.0008","78.689","0.004","73.106","0.005","64.253","0.005","1102.97","0.11","294.24","0.1","294.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","- C44 H54 O8 P2 Rh2 -","1","0.5","","Ma, Ziling; Wang, Yuanhua","Dirhodium(ii)/P(t-Bu)<sub>3</sub> catalyzed tandem reaction of α,β-unsaturated aldehydes with arylboronic acids.","Organic & biomolecular chemistry","2018","16","40","7470","7476","10.1039/c8ob01997e","","x-ray","1.54184","CuKα","","0.0626","0.0538","","","0.142","0.1563","","","","","","1.03","","","","has coordinates","230783","2020-10-21","18:00:00",""
"7156443","10.8008","0.0007","7.1714","0.0003","12.5418","0.0007","90","","101.366","0.002","90","","952.4","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O3 -","- C23 H20 N2 O3 -","- C46 H40 N4 O6 -","2","1","","Ghorai, Jayanta; Chaitanya, Manthena; Anbarasan, Pazhamalai","Cp*Co(iii)-catalysed selective alkylation of C-H bonds of arenes and heteroarenes with α-diazocarbonyl compounds.","Organic & biomolecular chemistry","2018","16","40","7346","7350","10.1039/c8ob02111b","","x-ray","0.71073","MoKα","","0.0305","0.0283","","","0.0697","0.0718","","","","","","1.029","","","","has coordinates","230781","2020-10-21","18:00:00",""
"7156444","17.651","0.004","11.598","0.003","18.625","0.005","90","","98.778","0.005","90","","3768.2","1.6","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br2 O10 -","- C38 H34 Br2 O10 -","- C152 H136 Br8 O40 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.1436","0.0647","","","0.1534","0.1871","","","","","","0.999","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156445","13.541","0.008","9.928","0.006","20.222","0.015","90","","90.67","0.014","90","","2718","3","293","2","293","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N O5 -","- C31 H23 N O5 -","- C124 H92 N4 O20 -","4","1","","Karki, Bhupal Singh; Pramanik, Mukund M. D.; Kant, Ruchir; Rastogi, Namrata","Visible light catalyzed reaction of α-bromochalcones with chalcones: direct access to the urundeuvine scaffold.","Organic & biomolecular chemistry","2018","16","39","7152","7156","10.1039/c8ob01881b","","","0.71075","MoKα","","0.2578","0.0936","","","0.2429","0.2884","","","","","","0.859","","","","has coordinates","230693","2020-10-21","18:00:00",""
"7156446","7.0651","0.0002","7.1483","0.0003","17.7906","0.0005","83.865","0.003","81.293","0.002","75.066","0.003","855.97","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O5 S -","- C19 H15 N O5 S -","- C38 H30 N2 O10 S2 -","2","1","","Habert, Loïc; Retailleau, Pascal; Gillaizeau, Isabelle","Rapid synthesis of 3-amino isocoumarin derivatives from ynamides.","Organic & biomolecular chemistry","2018","16","40","7351","7355","10.1039/c8ob02305k","","x-ray","0.71073","MoKα","","0.0524","0.0425","","","0.1178","0.1244","","","","","","1.071","","","","has coordinates","230779","2020-10-21","18:00:00",""
"7156447","19.3435","0.0009","25.2081","0.0011","20.5824","0.0014","90","","110.81","0.008","90","","9381.5","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C109 H114 Cl2 O10 -","- C109 H114 Cl2 O10 -","- C436 H456 Cl8 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1948","0.0977","","","0.2708","0.3362","","","","","","1.037","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156448","20.536","0.0005","21.5224","0.0005","20.996","0.0015","90","","109.55","0.008","90","","8744.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C109 H98 Cl4 O10 -","- C109 H98 Cl4 O10 -","- C436 H392 Cl16 O40 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","An alternative route for the synthesis of hydroxylated pillar[5]arene-based amphiphiles.","Organic & biomolecular chemistry","2018","16","40","7513","7517","10.1039/c8ob02074d","","","0.71075","MoKα","","0.1022","0.0753","","","0.2366","0.2626","","","","","","1.087","","","","has coordinates","230780","2020-10-21","18:00:00",""
"7156449","9.0912","0.0017","17.553","0.003","20.148","0.004","90","","90","","90","","3215.2","1","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C124 H112 F8 N8 O4 S4 -","4","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.1577","0.067","","","0.178","0.2264","","","","","","0.998","","","","has coordinates","230778","2020-10-21","18:00:00",""
"7156450","11.2418","0.0017","11.3491","0.0016","11.7184","0.0018","98.339","0.003","114.149","0.003","93.521","0.003","1337.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C62 H56 F4 N4 O2 S2 -","2","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.0755","0.0588","","","0.1384","0.1492","","","","","","1.049","","","","has coordinates,has disorder","230778","2020-10-21","18:00:00",""
"7156451","12.628","0.0004","12.0003","0.0003","26.2562","0.0008","90","","96.197","0.003","90","","3955.6","0.2","299.68","0.1","299.68","0.1","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H29 N O7 -","- C42 H29 N O7 -","- C168 H116 N4 O28 -","4","1","","Wang, Qing; Jiao, Xiaojie; Liu, Chang; Huang, Kun; He, Song; Zhao, Liancheng; Zeng, Xianshun","Novel π-extended hybrid xanthene dyes with two spirolactone rings for optoelectronic and biological applications.","Organic & biomolecular chemistry","2018","16","41","7609","7618","10.1039/c8ob01671b","","x-ray","1.54184","CuKα","","0.1121","0.0974","","","0.2989","0.315","","","","","","1.052","","","","has coordinates,has disorder","230626","2020-10-21","18:00:00",""
"7156452","27.129","0.017","18.648","0.017","12.694","0.009","90","","113.879","0.012","90","","5872","8","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","oDL2tTtPP","","- C69 H74 Cl2 N6 O4 -","- C69 H74 Cl2 N6 O4 -","- C276 H296 Cl8 N24 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1834","0.1151","","","0.2942","0.3314","","","","","","1.027","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156453","15.965","0.003","27.529","0.004","15.694","0.003","90","","96.929","0.004","90","","6847","2","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DL6TtPP","","- C73 H85 Cl3 N4 O4 -","- C73 H85 Cl3 N4 O4 -","- C292 H340 Cl12 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.0991","0.0821","","","0.1906","0.2015","","","","","","1.07","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156454","14.617","0.0015","14.7467","0.0011","16.7737","0.0016","103.061","0.007","96.845","0.008","96.377","0.007","3461.2","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","oDL4tTtPP","","- C68 H76 N4 O4 -","- C68 H75 N4 O4 -","- C136 H150 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1952","0.126","","","0.3181","0.378","","","","","","0.889","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156455","14.492","0.003","17.096","0.003","17.259","0.004","63.01","0.03","80.01","0.03","72.54","0.03","3631.2","1.7","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","DL5TtPP","","- C70 H78 N4 O4 -","- C70 H78 N4 O4 -","- C140 H156 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.2349","0.1578","","","0.3651","0.3934","","","","","","0.804","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156456","18.3696","0.0016","18.3696","0.0016","21.91","0.003","90","","90","","90","","7393.4","1.4","296","2","296","2","","","","","","","","4","I 41","I 4bw","80","","oDL2cTtPP","","- C64 H66 N4 O4 -","- C64 H66 N4 O4 -","- C256 H264 N16 O16 -","4","0.5","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1849","0.1274","","","0.2902","0.3176","","","","","","0.897","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156457","15.6212","0.0004","31.4079","0.0012","25.8937","0.0007","90","","90","","90","","12704.2","0.7","124","3","124","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","oDL5cTtPP","","- C141 H157 Cl3 N8 O8 -","- C141 H157 Cl3 N8 O8 -","- C564 H628 Cl12 N32 O32 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","x-ray","1.54184","CuKα","","0.1347","0.0831","","","0.213","0.2486","","","","","","1.003","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156458","15.8871","0.0007","15.388","0.0006","28.3212","0.001","90","","99.078","0.004","90","","6837","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","oDL4cTtPP","","- C71 H77 Cl9 N4 O4 -","- C71 H77 Cl9 N4 O4 -","- C284 H308 Cl36 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1129","0.0923","","","0.2596","0.2835","","","","","","1.024","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156459","14.0704","0.0007","15.4579","0.0008","16.7918","0.0007","94.439","0.004","104.38","0.004","95.483","0.004","3502.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL5tTtPP","","- C71 H78 Cl3 N4 O4 -","- C71 H78 Cl3 N4 O4 -","- C142 H156 Cl6 N8 O8 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.119","0.0868","","","0.241","0.2689","","","","","","1.088","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156460","13.8646","0.0009","15.0707","0.001","16.8583","0.0011","109.209","0.006","103.622","0.006","95.483","0.005","3174.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","oDL3tTtPP","","- C69 H74 Cl6 N4 O5 -","- C69 H65 Cl6 N4 O5 -","- C138 H130 Cl12 N8 O10 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1372","0.1076","","","0.293","0.335","","","","","","1.196","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156461","15.686","0.003","17.859","0.004","30.123","0.006","83.93","0.03","80.74","0.03","65.76","0.03","7587","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","DL7TtPP","","- C76 H87 Cl6 N4 O4 -","- C76 H87 Cl6 N4 O4 -","- C304 H348 Cl24 N16 O16 -","4","2","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","0.71073","MoKα","","0.1615","0.1116","","","0.312","0.3652","","","","","","1.157","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156462","14.032","0.0014","16.469","0.0018","16.525","0.0018","114.288","0.013","91.261","0.002","94.928","0.015","3461","0.7","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","DL4TtPP","","- C74 H79 N5 O6 -","- C74 H79 N5 O6 -","- C148 H158 N10 O12 -","2","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54187","CuKα","","0.0766","0.0699","","","0.1908","0.2047","","","","","","1.089","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156463","16.2769","0.0018","18.6656","0.0014","19.3939","0.0016","90","","90","","90","","5892.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oDL3cTtPP","","- C66 H70 N4 O4 -","- C66 H70 N4 O4 -","- C264 H280 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1421","0.1041","","","0.28","0.3139","","","","","","1","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156466","7.2086","0.0002","12.6711","0.0004","8.3699","0.0003","90","","98.408","0.003","90","","756.3","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C40 H26 N2 O6 -","2","1","","Panda, Niranjan; Mattan, Irshad; Ojha, Subhadra; Purohit, Chandra Shekhar","Synthesis of medium-sized (6-7-6) ring compounds by iron-catalyzed C-H activation/annulation [corrected].","Organic & biomolecular chemistry","2018","16","42","7861","7870","10.1039/c8ob01496e","","","1.54184","CuKα","","0.0448","0.0426","","","0.1169","0.1204","","","","","","1.083","","","","has coordinates","230689","2020-10-21","18:00:00",""
"7156467","8.2532","0.0008","11.5789","0.0013","13.3091","0.0016","76.209","0.01","88.157","0.009","74.094","0.009","1187.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-(diethoxyphosphoryl)isoxazole-3-carboxylic acid","","- C8 H12 N O6 P -","- C8 H12 N O6 P -","- C32 H48 N4 O24 P4 -","4","2","","Chalyk, Bohdan A.; Sosedko, Alona S.; Volochnyuk, Dmitriy M.; Tolmachev, Andrey A.; Gavrilenko, Konstantin S.; Liashuk, Oleksandr S.; Grygorenko, Oleksandr O.","Regioselective synthesis of isoxazole and 1,2,4-oxadiazole-derived phosphonates via [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2018","16","47","9152","9164","10.1039/c8ob02257g","","","0.71073","MoKα","","0.1456","0.0581","","","0.1181","0.1483","","","","","","0.879","","","","has coordinates,has disorder","230761","2020-10-21","18:00:00",""
"7156468","6.8559","0.0006","13.8455","0.0012","12.3109","0.0011","90","","97.553","0.003","90","","1158.45","0.18","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","1","","Huang, Songhai; Niu, Pengfei; Su, Yingpeng; Hu, Dongcheng; Huo, Congde","Tandem radical cyclization of N-methacryloyl benzamides with CBr<sub>4</sub> to construct brominated isoquinolinediones.","Organic & biomolecular chemistry","2018","16","41","7748","7752","10.1039/c8ob01964a","","","0.71073","MoKα","","0.0715","0.0573","","","0.134","0.1412","","","","","","1.059","","","","has coordinates","230627","2020-10-21","18:00:00",""
"7156469","13.3657","0.0005","10.039","0.0003","15.8436","0.0005","90","","97.407","0.003","90","","2108.13","0.12","162","30","162","30","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Li, Fen; Li, Xiaohui; Zhang, Xin","Dynamic Diels-Alder reactions of maleimide-furan amphiphiles and their fluorescence ON/OFF behaviours.","Organic & biomolecular chemistry","2018","16","42","7871","7877","10.1039/c8ob01944d","","","0.71073","MoKα","","0.0672","0.0497","","","0.1138","0.1256","","","","","","1.043","","","","has coordinates","230679","2020-10-21","18:00:00",""
"7156470","9.6173","0.001","12.7178","0.001","11.2532","0.001","90","","95.476","0.01","90","","1370.1","0.2","295.05","0.1","295.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.0953","0.0608","","","0.1625","0.1982","","","","","","1.041","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156471","22.0489","0.0005","15.0516","0.0003","18.1612","0.0004","90","","108.711","0.003","90","","5708.6","0.2","290.04","0.1","290.04","0.1","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","","","- C18 H17 N O -","- C18 H17 N O -","- C288 H272 N16 O16 -","16","2","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","x-ray","1.54184","CuKα","","0.0506","0.0416","","","0.1075","0.1155","","","","","","1.034","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156472","9.2569","0.0018","15.608","0.002","10.8924","0.0018","90","","105.432","0.019","90","","1517","0.5","232","6","232","6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","0.71073","MoKα","","0.1253","0.0812","","","0.1884","0.2195","","","","","","1.106","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156473","8.4795","0.0003","11.3762","0.0004","16.221","0.0005","90","","92.399","0.003","90","","1563.38","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min","New Friedel-Crafts strategy for preparing 3-acylindoles.","Organic & biomolecular chemistry","2018","16","42","7792","7796","10.1039/c8ob02094a","","","1.54184","CuKα","","0.0518","0.043","","","0.1103","0.1183","","","","","","1.059","","","","has coordinates","230681","2020-10-21","18:00:00",""
"7156474","6.2318","0.0001","19.0611","0.0003","30.5102","0.0004","90","","95.174","0.001","90","","3609.39","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C184 H136 Cl8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.057","0.0525","","","0.153","0.1576","","","","","","1.08","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156475","30.335","0.006","5.7303","0.001","7.396","0.0018","90","","92.47","0.02","90","","1284.4","0.5","100","3","100","3","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C68 H52 F4 O8 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.1187","0.0982","","","0.2545","0.2959","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156476","6.20717","0.00015","38.6061","0.0011","14.5881","0.0003","90","","99.406","0.002","90","","3448.81","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C184 H136 F8 O8 -","8","2","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0472","0.0418","","","0.1103","0.1144","","","","","","1.073","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156477","8.47709","0.00019","19.3161","0.0004","10.6412","0.0002","90","","96.21","0.002","90","","1732.21","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F O -","- C23 H17 F O -","- C92 H68 F4 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","","0.71073","MoKα","","0.0477","0.0399","","","0.0972","0.1018","","","","","","1.032","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156478","7.6982","0.0005","12.0382","0.0007","17.5134","0.0012","90","","90","","90","","1623.01","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0566","0.0508","","","0.1173","0.1205","","","","","","1.042","","","","has coordinates,has disorder","230687","2020-10-21","18:00:00",""
"7156479","7.7514","0.0001","12.0257","0.0002","17.7094","0.0003","90","","90","","90","","1650.8","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Aleksandrova, Maiia I.; Lozovskiy, Stanislav V.; Saulnier, Steve; Golovanov, Alexander A.; Boyarskaya, Irina A.; Vasilyev, Aleksander V.","Hydroarylation of unsaturated carbon-carbon bonds in cross-conjugated enynones under the action of superacid CF<sub>3</sub>SO<sub>3</sub>H or acidic zeolite HUSY. Reaction mechanism and DFT study on cationic intermediate species.","Organic & biomolecular chemistry","2018","16","42","7891","7902","10.1039/c8ob01985a","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0747","0.0756","","","","","","1.06","","","","has coordinates","230687","2020-10-21","18:00:00",""
"7156480","12.8458","0.0005","5.3427","0.0002","24.6144","0.001","90","","101.767","0.003","90","","1653.82","0.11","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2h","N-Phenyl-N'-propyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","","","0.0696","0.0495","","","0.1324","0.1416","","","","","","1.007","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156481","13.0104","0.0007","5.4301","0.0003","24.2997","0.0015","90","","101.772","0.004","90","","1680.61","0.17","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2i","N-Phenyl-N'-isopropyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","1.54178","CuKα","","0.0546","0.0469","","","0.1317","0.1377","","","","","","1.055","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156482","34.665","0.004","6.9265","0.0009","14.4146","0.0018","90","","113.137","0.001","90","","3182.7","0.7","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4g","N-Phenyl-N'-ethyl-5-benzyl-2-iminothiazolidin-4-one","","- C18 H18 N2 O S -","- C18 H18 N2 O S -","- C144 H144 N16 O8 S8 -","8","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.038","0.031","","","0.0789","0.0871","","","","","","1.042","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156483","8.7745","0.0014","9.4352","0.0016","20.409","0.003","93.504","0.002","97.479","0.002","90.918","0.002","1671.6","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","5c","5-Benzyl-5-hydroxy-1,3-diisopropyl-2-thioxoimidazolidin-4-one","","- C16 H22 N2 O2 S -","- C16 H22 N2 O2 S -","- C64 H88 N8 O8 S4 -","4","2","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0851","0.0538","","","0.1302","0.1602","","","","","","0.999","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156484","12.413","0.0015","17.816","0.002","7.9085","0.001","90","","106.841","0.002","90","","1674","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3i","5-Benzyl-3-isopropyl-1-phenyl-2-thioxoimidazolidin-4-one","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0924","0.0512","","","0.117","0.1447","","","","","","0.929","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156485","8.887","0.002","9.348","0.002","12.182","0.003","80.025","0.003","72.125","0.003","88.273","0.003","948.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","3j","N',5-Dibenzyl-N-phenyl-2-thiohydantoin","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0429","0.0365","","","0.0914","0.0954","","","","","","1.065","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156486","13.613","0.002","5.3251","0.0009","26.026","0.004","90","","95.958","0.003","90","","1876.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2j","N-Phenyl-N'-benzyl-6-phenyl-2-iminotetrahydro-1,3-thiazin-4-one","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C92 H80 N8 O4 S4 -","4","1","","Saito, Rei; Uemura, Naohiro; Ishikawa, Hiroki; Magara, Akina; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Umpolung cyclization reaction of N-cinnamoylthioureas in the presence of DBU.","Organic & biomolecular chemistry","2018","16","42","7910","7919","10.1039/c8ob02066c","","","0.71073","MoKα","","0.0974","0.0521","","","0.1235","0.1597","","","","","","0.966","","","","has coordinates","230685","2020-10-21","18:00:00",""
"7156487","11.016","0.0004","11.9919","0.0004","13.0752","0.0005","89.518","0.001","75.55","0.001","80.31","0.001","1647.74","0.1","110","2","110","2","","","","","","","","4","P -1","-P 1","2","phenylethynyl trimethylsilyl indol","1-(phenylethynyl)2-(trimethylsilyl)-1H-indol","","- C38 H38 N2 Si2 -","- C38 H38 N2 Si2 -","- C76 H76 N4 Si4 -","2","1","","Prochnow, Thaís; Maroneze, Adriano; Back, Davi F.; Jardim, Natalia S.; Nogueira, Cristina W.; Zeni, Gilson","Synthesis and anticholinesterase activity of 2-substituted-N-alkynylindoles.","Organic & biomolecular chemistry","2018","16","42","7926","7934","10.1039/c8ob02165a","","","0.71073","MoKα","","0.0435","0.0355","","","0.0903","0.0946","","","","","","1.051","","","","has coordinates","230682","2020-10-21","18:00:00",""
"7156488","11.7077","0.0018","9.7297","0.0013","18.751","0.002","90","","116.691","0.008","90","","1908.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br O -","- C24 H21 Br O -","- C96 H84 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0748","0.043","","","0.0904","0.1034","","","","","","1.03","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156489","12.928","0.003","16.007","0.004","8.3586","0.0016","90","","94.097","0.007","90","","1725.3","0.7","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Yaragorla, Srinivasarao; Khan, Tabassum","An unexpected thermal-ring-rearrangement of benzochromenes to inden-3-yl-naphthols with pTsOH.","Organic & biomolecular chemistry","2018","16","42","7920","7925","10.1039/c8ob02264j","","","0.71073","MoKα","","0.0972","0.0444","","","0.0916","0.1049","","","","","","1.034","","","","has coordinates","230683","2020-10-21","18:00:00",""
"7156491","10.994","0.0002","17.4175","0.0004","19.4407","0.0004","90","","90","","90","","3722.66","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Guo, Yi; Zhang, Na; Sun, Weiguang; Duan, Xueyan; Zhang, Qing; Zhou, Qun; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Liu, Junjun; Li, Xiao-Nian; Xue, Yongbo; Zhang, Yonghui","Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum.","Organic & biomolecular chemistry","2018","16","43","8130","8143","10.1039/c8ob02067a","","","1.54178","CuKα","","0.0423","0.042","","","0.1099","0.1102","","","","","","1.059","","","","has coordinates","230665","2020-10-21","18:00:00",""
"7156492","11.7774","0.0002","22.0334","0.0004","14.1047","0.0003","90","","104.437","0.001","90","","3544.54","0.12","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N5 -","- C22 H17 N5 -","- C176 H136 N40 -","8","2","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0469","0.0352","","","0.0786","0.0844","","","","","","1.044","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156493","9.8081","0.0002","15.076","0.0003","26.6668","0.0005","90","","90","","90","","3943.14","0.13","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H16 F3 N5 -","- C23 H16 F3 N5 -","- C184 H128 F24 N40 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0899","0.0641","","","0.1573","0.173","","","","","","1.057","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156494","8.1","0.0002","24.9541","0.0007","9.6074","0.0003","90","","97.478","0.002","90","","1925.41","0.09","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N5 O -","- C23 H19 N5 O -","- C92 H76 N20 O4 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.103","0.0695","","","0.1672","0.1872","","","","","","1.069","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156495","10.0604","0.0002","14.9961","0.0003","25.8051","0.0006","90","","90","","90","","3893.13","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cl2 N6 -","- C21 H16 Cl2 N6 -","- C168 H128 Cl16 N48 -","8","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.026","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156496","8.3507","0.0002","22.0757","0.0006","10.0712","0.0003","90","","113.691","0.0006","90","","1700.14","0.08","100","2","100","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H15 N5 -","- C21 H15 N5 -","- C84 H60 N20 -","4","1","","Lai, Qi; Liu, Qing; He, Ying; Zhao, Kai; Wei, Chiyu; Wojtas, Lukasz; Shi, Xiaodong; Song, Zhiguang","Triazole-imidazole (TA-IM) derivatives as ultrafast fluorescent probes for selective Ag<sup>+</sup> detection.","Organic & biomolecular chemistry","2018","16","42","7801","7805","10.1039/c8ob02482k","","","1.54178","CuKα","","0.0246","0.0242","","","0.061","0.0612","","","","","","1.055","","","","has coordinates","230684","2020-10-21","18:00:00",""
"7156497","5.2634","0.0005","12.909","0.002","14.964","0.002","73.896","0.014","89.385","0.01","80.113","0.011","961.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C42 H42 N2 O8 S2 -","2","1","","Dahiya, Anjali; Ali, Wajid; Alam, Tipu; Patel, Bhisma K.","A cascade synthesis of S-allyl benzoylcarbamothioates via Mumm-type rearrangement.","Organic & biomolecular chemistry","2018","16","42","7787","7791","10.1039/c8ob02293c","","","0.71073","MoKα","","0.1253","0.0786","","","0.143","0.196","","","","","","1.134","","","","has coordinates","230678","2020-10-21","18:00:00",""
"7156498","20.6903","0.0003","5.75339","0.00009","23.2601","0.0003","90","","110.085","0.002","90","","2600.48","0.07","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","Boc-(S)-(αMe)Aze-(S)-Ala-(S)-(αMe)Aze-(S)-Ala-OMe","","- C22 H36 N4 O7 -","- C22 H36 N4 O7 -","- C88 H144 N16 O28 -","4","1","","Drouillat, Bruno; Peggion, Cristina; Biondi, Barbara; Wright, Karen; Couty, François; Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio","A novel peptide conformation: the γ-bend ribbon.","Organic & biomolecular chemistry","2018","16","42","7947","7958","10.1039/c8ob02279h","","","1.54178","CuKα","","0.0401","0.0387","","","0.1166","0.1187","","","","","","1.057","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7156499","14.8911","0.0018","14.8911","0.0018","14.4517","0.0016","90","","90","","90","","3204.6","0.7","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C81 H45 Br4 N5 Zn -","- C81 H45 Br4 N5 Zn -","- C162 H90 Br8 N10 Zn2 -","2","0.25","","Pijeat, Joffrey; Dappe, Yannick J.; Thuéry, Pierre; Campidelli, Stéphane","Synthesis and Suzuki-Miyaura cross coupling reactions for post-synthetic modification of a tetrabromo-anthracenyl porphyrin.","Organic & biomolecular chemistry","2018","16","43","8106","8114","10.1039/c8ob02150c","","","0.71073","MoKα","","0.0851","0.0643","","","0.1541","0.1619","","","","","","1.085","","","","has coordinates","230663","2020-10-21","18:00:00",""
"7156500","6.6889","0.0007","20.404","0.002","6.7943","0.0007","90","","102.245","0.009","90","","906.19","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H15 N3 S -","- C7 H15 N3 S -","- C28 H60 N12 S4 -","4","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0899","0.0707","","","0.1534","0.1693","","","","","","1.097","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156501","22.7327","0.001","9.7061","0.0004","10.6589","0.0004","90","","105.34","0.003","90","","2268.05","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H19 N3 S -","- C10 H19 N3 S -","- C80 H152 N24 S8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0577","0.0366","","","0.0839","0.0935","","","","","","1.028","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156502","8.6412","0.0018","10.61","0.002","12.608","0.003","90","","106.492","0.009","90","","1108.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.1555","0.091","","","0.2269","0.259","","","","","","1.085","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156503","5.6776","0.0005","8.9813","0.0009","20.467","0.002","90","","91.743","0.005","90","","1043.18","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N3 S -","- C9 H17 N3 S -","- C36 H68 N12 S4 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0773","0.0481","","","0.0949","0.1054","","","","","","1.043","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156504","7.2701","0.0008","12.9061","0.0011","18.374","0.002","90","","90","","90","","1724","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H15 N3 O -","- C7 H15 N3 O -","- C56 H120 N24 O8 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","A convenient stereoselective access to novel 1,2,4-triazepan-3-ones/thiones via reduction or reductive alkylation of 7-membered cyclic semicarbazones and thiosemicarbazones.","Organic & biomolecular chemistry","2018","16","43","8072","8089","10.1039/c8ob01766b","","","0.71073","MoKα","","0.0826","0.056","","","0.1296","0.1489","","","","","","1.11","","","","has coordinates","230660","2020-10-21","18:00:00",""
"7156505","17.298","0.002","5.9353","0.0008","33.483","0.004","90","","90","","90","","3437.7","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 F3 N2 O3 -","- C18 H15 F3 N2 O3 -","- C144 H120 F24 N16 O24 -","8","1","","Sun, Shaofa; Chen, Rongxing; Wang, Gangqiang; Wang, Jian","Sodium carbonate promoted [3 + 2] annulation of α-halohydroxamates and isocyanates.","Organic & biomolecular chemistry","2018","16","43","8011","8014","10.1039/c8ob02321b","","","0.71073","MoKα","","0.0691","0.0529","","","0.1351","0.1451","","","","","","1.038","","","","has coordinates,has disorder","230662","2020-10-21","18:00:00",""
"7156506","8.0308","0.0012","7.8229","0.001","12.8172","0.0018","90","","90","","90","","805.23","0.19","174","2","174","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H6 N8 O2 -","- C6 H6 N8 O2 -","- C24 H24 N32 O8 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0915","0.0485","","","0.0948","0.1114","","","","","","1.043","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156507","5.7793","0.0006","11.6585","0.0015","5.7805","0.0006","90","","100.28","0.004","90","","383.23","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H2 N8 O2 -","- C6 H2 N8 O2 -","- C12 H4 N16 O4 -","2","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0838","0.0448","","","0.0844","0.0988","","","","","","1.056","","","","has coordinates","230664","2020-10-21","18:00:00",""
"7156508","19.2788","0.0012","5.4732","0.0004","19.4681","0.0013","90","","111.922","0.002","90","","1905.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3.33 N4 O3.67 -","- C4 H3.33333 N4 O3.66667 -","- C48 H40 N48 O44 -","12","3","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Tetracyclic pyrazine-fused furazans as insensitive energetic materials: syntheses, structures, and properties.","Organic & biomolecular chemistry","2018","16","43","8034","8037","10.1039/c8ob02155d","","","0.71073","MoKα","","0.0869","0.0468","","","0.0862","0.0985","","","","","","1.054","","","","has coordinates,has disorder","230664","2020-10-21","18:00:00",""
"7156509","14.2864","0.0013","5.3688","0.0005","19.4632","0.0016","90","","108.952","0.003","90","","1411.9","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Liu, Kun; Shang, Xinye; Cheng, Yuyu; Chang, Xiaoyong; Li, Pengfei; Li, Wenjun","Regioselective [3 + 2]-annulation of hydrazonyl chlorides with 1,3-dicarbonyl compounds for assembling of polysubstituted pyrazoles.","Organic & biomolecular chemistry","2018","16","42","7811","7814","10.1039/c8ob02352b","","x-ray","0.71073","MoKα","","0.0526","0.0422","","","0.1004","0.1067","","","","","","1.043","","","","has coordinates","230686","2020-10-21","18:00:00",""
"7156510","10.0847","0.0003","12.3157","0.0004","23.0056","0.0007","90","","90","","90","","2857.3","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F6 N4 O4 S -","- C28 H30 F6 N4 O4 S -","- C112 H120 F24 N16 O16 S4 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","0.71073","MoKα","","0.0517","0.0458","","","0.1113","0.1144","","","","","","1.103","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156511","9.3038","0.0003","9.3038","0.0003","33.9408","0.0013","90","","90","","120","","2544.33","0.15","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C114 H102 N6 O36 -","6","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","1.54178","CuKα","","0.0256","0.0256","","","0.0661","0.0661","","","","","","1.06","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156512","9.8247","0.0005","11.526","0.0006","11.6543","0.0005","86.407","0.004","74.525","0.004","72.819","0.005","1214.94","0.11","266","10","266","10","","","","","","","","6","P -1","-P 1","2","","","","- C29 H20 Br N O4 S -","- C29 H20 Br N O4 S -","- C58 H40 Br2 N2 O8 S2 -","2","1","","Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei","Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.","Organic & biomolecular chemistry","2018","16","43","8169","8174","10.1039/c8ob02034e","","x-ray","1.54184","CuKα","","0.0612","0.0578","","","0.1459","0.1505","","","","","","1.086","","","","has coordinates","230666","2020-10-21","18:00:00",""
"7156513","9.2784","0.0004","14.1722","0.0006","9.8379","0.0004","90","","114.077","0.001","90","","1181.09","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,2,2-trifluoro-1-[1-phenyl-3-(2-phenylethynyl)-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-<i>a</i>]quinolin-2-yl]-1-ethanone","","- C29 H17 F6 N O2 -","- C29 H17 F6 N O2 -","- C58 H34 F12 N2 O4 -","2","1","","Belyaeva, K. V.; Nikitina, L. P.; Afonin, A. V.; Vashchenko, A. V.; Muzalevskiy, V. M.; Nenajdenko, V. G.; Trofimov, B. A.","Catalyst-free 1 : 2 annulation of quinolines with trifluoroacetylacetylenes: an access to functionalized oxazinoquinolines.","Organic & biomolecular chemistry","2018","16","43","8038","8041","10.1039/c8ob02379d","","","0.71073","MoKα","","0.051","0.0366","","","0.0701","0.0746","","","","","","1.023","","","","has coordinates","230661","2020-10-21","18:00:00",""
"7156514","11.6754","0.0005","11.052","0.0004","11.6067","0.0004","90","","108.497","0.001","90","","1420.32","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N -","- C20 H13 N -","- C80 H52 N4 -","4","1","","Mylavarapu, Saketh; Yadav, Mamta; Bhanuchandra, M.","KHMDS mediated synthesis of 9-arylfluorenes from dibenzothiophene dioxides and arylacetonitriles by tandem S<sub>N</sub>Ar-decyanation-based arylation.","Organic & biomolecular chemistry","2018","16","42","7815","7819","10.1039/c8ob02355g","","","0.71073","MoKα","","0.0563","0.0477","","","0.1346","0.1437","","","","","","1.043","","","","has coordinates","230676","2020-10-21","18:00:00",""
"7156515","9.1358","0.0003","18.8753","0.0007","20.9542","0.0007","90","","90","","90","","3613.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 O3 S -","- C22 H16 O3 S -","- C176 H128 O24 S8 -","8","1","","Zhou, Bang; Chen, Wenqi; Yang, Yuzhong; Yang, Yuan; Deng, Guobo; Liang, Yun","A radical cyclization cascade of 2-alkynylbenzonitriles with sodium arylsulfinates.","Organic & biomolecular chemistry","2018","16","42","7959","7963","10.1039/c8ob02288g","","","0.71073","MoKα","","0.0702","0.061","","","0.1238","0.1284","","","","","","1.211","","","","has coordinates","230680","2020-10-21","18:00:00",""
"7156516","13.4246","0.0012","7.175","0.0007","17.1559","0.0014","90","","97.007","0.003","90","","1640.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Wang, Qiumei; Yang, Chao; Jiang, Chao","Visible-light-promoted radical acylation/cyclization of alkynoates with aldehydes for the synthesis of 3-acylcoumarins.","Organic & biomolecular chemistry","2018","16","43","8196","8204","10.1039/c8ob02232a","","","0.71073","MoKα","","0.1144","0.0594","","","0.1469","0.1762","","","","","","0.944","","","","has coordinates","230667","2020-10-21","18:00:00",""
"7156517","11.942","0.0008","12.7737","0.0009","12.9601","0.0008","91.778","0.003","102.372","0.003","102.443","0.003","1879.5","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H36 N8 -","- C50 H36 N8 -","- C100 H72 N16 -","2","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0761","0.0523","","","0.1369","0.1617","","","","","","1.069","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156518","7.7966","0.0006","14.3031","0.0012","18.1018","0.0015","90","","90","","90","","2018.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Br N4 -","- C25 H17 Br N4 -","- C100 H68 Br4 N16 -","4","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0668","0.0433","","","0.1075","0.1284","","","","","","0.999","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156519","11.2746","0.0001","16.1738","0.0002","18.2342","0.0002","90","","90","","90","","3325.06","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Baefrutone A","bf-54","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao","Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.","Organic & biomolecular chemistry","2018","16","44","8513","8524","10.1039/c8ob02433b","","","1.54184","CuKα","","0.0398","0.0374","","","0.1075","0.1104","","","","","","1.051","","","","has coordinates","230609","2020-10-21","18:00:00",""
"7156520","10.7346","0.0013","11.0951","0.0009","13.403","0.002","98.488","0.009","113.22","0.013","108.845","0.009","1317.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl N3 O Rh -","- C27 H33 Cl N3 O Rh -","- C54 H66 Cl2 N6 O2 Rh2 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0659","0.0445","","","0.0864","0.0995","","","","","","1.029","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156521","13.7264","0.0008","8.0434","0.0004","22.4695","0.0013","90","","97.451","0.006","90","","2459.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.0634","0.0471","","","0.1145","0.1281","","","","","","1.024","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156522","9.6158","0.0011","14.3878","0.0019","15.7308","0.0015","63.487","0.011","72.881","0.009","74.459","0.011","1837.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N3 O6 -","- C39 H45 N3 O6 -","- C78 H90 N6 O12 -","2","1","","Wang, Huanhong; Yi, Xiaofei; Cui, Yanli; Chen, Wanzhi","Rhodium-catalyzed triazole-directed C-H bond functionalization of arenes with diazo compounds.","Organic & biomolecular chemistry","2018","16","43","8191","8195","10.1039/c8ob01673a","","","0.71073","MoKα","","0.225","0.1104","","","0.2908","0.4014","","","","","","1.019","","","","has coordinates","230659","2020-10-21","18:00:00",""
"7156523","11.6524","0.0004","15.998","0.0006","18.6279","0.0008","90","","90","","90","","3472.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 I N O -","- C16 H19 F3 I N O -","- C128 H152 F24 I8 N8 O8 -","8","2","","Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen","Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).","Organic & biomolecular chemistry","2018","16","44","8472","8476","10.1039/c8ob02457j","","","0.71073","MoKα","","0.0392","0.0312","","","0.0673","0.0718","","","","","","1.019","","","","has coordinates","230601","2020-10-21","18:00:00",""
"7156530","8.5002","0.0007","9.3931","0.0008","13.1098","0.0011","83.094","0.002","80.207","0.002","80.262","0.002","1012.1","0.15","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Cl N2 O3 -","- C24 H17 Cl N2 O3 -","- C48 H34 Cl2 N4 O6 -","2","1","","Mahesha, Chikkagundagal K.; Agarwal, Devesh S.; Karishma, Pidiyara; Markad, Datta; Mandal, Sanjay K.; Sakhuja, Rajeev","Iridium-catalyzed [4 + 2] annulation of 1-arylindazolones with α-diazo carbonyl compounds: access to indazolone-fused cinnolines.","Organic & biomolecular chemistry","2018","16","44","8585","8595","10.1039/c8ob01681j","","","0.71073","MoKα","","0.0509","0.04","","","0.1147","0.1316","","","","","","1.085","","","","has coordinates","230603","2020-10-21","18:00:00",""
"7156531","10.4021","0.0013","11.1622","0.0014","18.137","0.002","73.826","0.002","89.528","0.002","62.611","0.001","1778","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","2","","Kawamoto, Yuichiro; Ozone, Daiki; Kobayashi, Toyoharu; Ito, Hisanaka","Total synthesis of (±)-chondrosterin I using a desymmetric aldol reaction.","Organic & biomolecular chemistry","2018","16","44","8477","8480","10.1039/c8ob02557f","","","0.71073","MoKα","","0.0571","0.045","","","0.1046","0.1169","","","","","","1.068","","","","has coordinates","230605","2020-10-21","18:00:00",""
"7156532","13.042","","5.681","","14.602","","90","","98.86","","90","","1068.98","","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C52 H36 N12 O4 -","4","1","","Chen, Zhengwang; Liang, Pei; Liu, Botao; Luo, Haiqing; Zheng, Jing; Wen, Xiaowei; Liu, Tanggao; Ye, Min","A facile tandem decyanation/cyanation reaction of α-iminonitriles toward cyano-substituted amides.","Organic & biomolecular chemistry","2018","16","44","8481","8485","10.1039/c8ob02186d","","","0.71073","MoKα","","0.1469","0.1114","","","0.2549","0.2965","","","","","","1.102","","","","has coordinates","230607","2020-10-21","18:00:00",""
"7156533","20.052","0.004","6.3001","0.0012","48.442","0.009","90","","96.918","0.009","90","","6075","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N O Si -","- C36 H35 N O Si -","- C288 H280 N8 O8 Si8 -","8","1","","Xu, Murong; Zheng, Zhong; Wang, Mengdan; Kong, Lingkai; Ao, Yujuan; Li, Yanzhong","Cobalt-catalyzed regioselective syntheses of indeno[2,1-c]pyridines from nitriles and diynes bearing propargyl fragments.","Organic & biomolecular chemistry","2018","16","45","8761","8768","10.1039/c8ob02419g","","","0.71073","MoKα","","0.141","0.089","","","0.1895","0.2157","","","","","","1.117","","","","has coordinates","230853","2020-10-21","18:00:00",""
"7156534","9.8834","0.0003","10.2262","0.0003","13.9008","0.0004","90","","90","","90","","1404.95","0.07","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54178","CuKα","","0.0394","0.038","","","0.1003","0.1017","","","","","","1.066","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156535","7.3868","0.0004","17.0662","0.0009","23.1039","0.0011","90","","90","","90","","2912.6","0.3","253","8","253","8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","0.71073","MoKα","","0.1129","0.0657","","","0.1187","0.1497","","","","","","1.057","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156536","7.3514","0.0003","7.7395","0.0003","16.0309","0.0006","90","","94.117","0.004","90","","909.74","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C42 H54 N2 O8 -","2","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54184","CuKα","","0.0332","0.0327","","","0.0855","0.086","","","","","","1.072","","","","has coordinates","230606","2020-10-21","18:00:00",""
"7156537","12.2631","0.0004","13.767","0.0004","19.0767","0.0006","71.606","0.002","87.408","0.003","63.944","0.001","2728.97","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H45 Cl6 N5 O2 P2 Pd -","- C53 H45 Cl6 N5 O2 P2 Pd -","- C106 H90 Cl12 N10 O4 P4 Pd2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1193","0.0548","","","0.1275","0.1648","","","","","","1.013","","","","has coordinates,has disorder","230608","2020-10-21","18:00:00",""
"7156538","8.7446","0.0004","11.529","0.0007","15.2091","0.0008","90","","105.14","0.003","90","","1480.11","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O -","- C17 H15 N5 O -","- C68 H60 N20 O4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0901","0.0478","","","0.1156","0.1397","","","","","","1.055","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156539","14.0025","0.0017","13.5967","0.0018","15.1462","0.0014","90","","116.114","0.005","90","","2589.3","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N10 Pd -","- C26 H20 N10 Pd -","- C104 H80 N40 Pd4 -","4","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.1008","0.048","","","0.0889","0.1127","","","","","","1","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156540","6.7614","0.0003","8.5686","0.0004","11.9894","0.0004","77.8244","0.0014","77.638","0.002","85.281","0.002","662.75","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 F N5 O -","- C15 H10 F N5 O -","- C30 H20 F2 N10 O2 -","2","1","","Chandrasekhar, Attoor; Ramkumar, Venkatachalam; Sankararaman, Sethuraman","Palladium catalyzed carbonylative annulation of the C(sp<sup>2</sup>)-H bond of N,1-diaryl-1H-tetrazol-5-amines and N,4-diaryl-4H-triazol-3-amines to quinazolinones.","Organic & biomolecular chemistry","2018","16","44","8629","8638","10.1039/c8ob02516a","","","0.71073","MoKα","","0.0557","0.0373","","","0.0873","0.1018","","","","","","1.049","","","","has coordinates","230608","2020-10-21","18:00:00",""
"7156542","7.8748","0.0004","14.7543","0.0006","15.7507","0.0006","68.6045","0.0014","85.8107","0.0017","77.4717","0.0017","1663.3","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Li, Pinhua; Wang, Guan-Wu; Chen, Hao; Wang, Lei","Nickel-catalyzed regioselective arylation of aromatic amides with aryl iodides enabled by an N,O-bidentate directing group.","Organic & biomolecular chemistry","2018","16","45","8783","8790","10.1039/c8ob02237b","","","0.71073","MoKα","","0.1203","0.0899","","","0.2091","0.2241","","","","","","1.162","","","","has coordinates","230855","2020-10-21","18:00:00",""
"7156543","8.8265","0.0002","21.615","0.0004","30.7813","0.0005","90","","90","","90","","5872.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C252 H384 O60 -","12","3","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.032","0.0319","","","0.082","0.0821","","","","","","1.054","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156544","6.3056","0.0002","17.1631","0.0006","17.9081","0.0007","90","","92.519","0.001","90","","1936.21","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","2","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.0716","0.0705","","","0.1996","0.2013","","","","","","1.089","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156545","6.856","","15.7693","0.0001","9.6944","0.0001","90","","101.609","0.001","90","","1026.66","0.013","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C44 H72 O8 -","2","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0279","0.0278","","","0.0735","0.0736","","","","","","1.105","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156546","9.0892","0.0001","9.9719","0.0001","17.8361","0.0001","90","","90","","90","","1616.6","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0336","0.0331","","","0.0839","0.0842","","","","","","1.085","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156547","13.2298","0.0003","10.1625","0.0003","15.5329","0.0005","90","","98.015","0.002","90","","2067.96","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N2 -","- C25 H23 Br N2 -","- C100 H92 Br4 N8 -","4","1","","Panwar, Rahul; Shally, ?; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Chemoselective synthesis of m-teraryls through ring transformation of 2H-pyran-2-ones by 2-(1-arylethylidene)-malononitriles.","Organic & biomolecular chemistry","2018","16","46","8994","9002","10.1039/c8ob02370k","","","0.71073","MoKα","","0.0545","0.0421","","","0.1059","0.1131","","","","","","0.918","","","","has coordinates","230741","2020-10-21","18:00:00",""
"7156548","8.434","0.007","10.662","0.01","44.27","0.04","90","","90","","90","","3981","6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(2-Fluorophenyl)-3-((6-methoxybenzo[d]thiazol-2-yl)amino)-1-phenyl propan-1-one","","- C46 H37 F2 N4 O4 S2 -","- C46 H37 F2 N4 O4 S2 -","- C184 H148 F8 N16 O16 S8 -","4","1","","Li, Weihua; Wang, Yifeng; Xu, Danqian","Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.","Organic & biomolecular chemistry","2018","16","45","8704","8709","10.1039/c8ob02484g","","","0.71073","MoKα","","0.0618","0.0531","","","0.126","0.1309","","","","","","1.026","","","","has coordinates,has disorder","230856","2020-10-21","18:00:00",""
"7156549","25.4646","0.0015","16.7733","0.0009","10.4497","0.0008","90","","100.998","0.006","90","","4381.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 Cl3 N4 -","- C53 H41 Cl3 N4 -","- C212 H164 Cl12 N16 -","4","0.5","","Gao, Qinghe; Wang, Yakun; Wang, Qianqian; Zhu, Yanping; Liu, Zhaomin; Zhang, Jixia","I<sub>2</sub>-Triggered N-O cleavage of ketoxime acetates for the synthesis of 3-(4-pyridyl)indoles.","Organic & biomolecular chemistry","2018","16","46","9030","9037","10.1039/c8ob02230e","","","1.54178","CuKα","","0.09","0.0801","","","0.2265","0.2487","","","","","","1.071","","","","has coordinates,has disorder","230748","2020-10-21","18:00:00",""
"7156550","10.932","0.003","15.037","0.004","28.078","0.007","90","","90","","90","","4616","2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H25 N O6 -","- C25 H25 N O6 -","- C200 H200 N8 O48 -","8","1","","Wang, Qiang; Zhang, Tao; Fan, Yunchang; Fan, Xuesen","Synthesis of functionalized cyclopentenes through allenic ketone-based multicomponent reactions.","Organic & biomolecular chemistry","2018","16","45","8854","8858","10.1039/c8ob02259c","","","0.71073","MoKα","","0.0906","0.0556","","","0.155","0.1794","","","","","","1.068","","","","has coordinates","230857","2020-10-21","18:00:00",""
"7156551","6.8817","0.001","9.377","0.0011","13.0597","0.0015","84.642","0.004","75.196","0.004","78.648","0.004","798","0.18","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Xiao, Yan; Xiong, Hao; Sun, Song; Yu, Jintao; Cheng, Jiang","Rh(iii)-Catalyzed dual C-H functionalization of 3-(1H-indol-3-yl)-3-oxopropanenitriles with sulfoxonium ylides or diazo compounds toward polysubstituted carbazoles.","Organic & biomolecular chemistry","2018","16","45","8715","8718","10.1039/c8ob02145g","","","0.71073","MoKα","","0.1087","0.092","","","0.2248","0.2452","","","","","","1.061","","","","has coordinates","230854","2020-10-21","18:00:00",""
"7156553","10.4442","0.0004","14.3318","0.0004","16.2731","0.0005","90","","96.095","0.001","90","","2422.06","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N2 O S -","- C30 H24 N2 O S -","- C120 H96 N8 O4 S4 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","Experimental and theoretical investigations of regioselective functionalization of 3-hydroxy bisindoles with thiols.","Organic & biomolecular chemistry","2018","16","47","9259","9268","10.1039/c8ob02118j","","","0.71073","MoKα","","0.0669","0.0413","","","0.1347","0.163","","","","","","1.15","","","","has coordinates","230765","2020-10-21","18:00:00",""
"7156554","9.5099","0.0003","9.7883","0.0003","23.6429","0.0007","90","","90","","90","","2200.82","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 O3 S -","- C23 H20 Cl F N2 O3 S -","- C92 H80 Cl4 F4 N8 O12 S4 -","4","1","","Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.","Organic & biomolecular chemistry","2018","16","46","8989","8993","10.1039/c8ob01786g","","","0.71073","MoKα","","0.0482","0.0387","","","0.0834","0.0903","","","","","","1.064","","","","has coordinates","230749","2020-10-21","18:00:00",""
"7156555","12.761","0.002","5.429","0.001","27.325","0.001","90","","117.22","0.03","90","","1683.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.1317","0.0543","","","0.117","0.1327","","","","","","1.079","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156556","7.979","0.003","19.9763","0.0013","13.149","0.004","90","","90","","90","","2095.8","1","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 O2 S -","- C26 H20 N2 O2 S -","- C104 H80 N8 O8 S4 -","4","1","","Jiang, Yan; Yu, Shuo-Wen; Yang, Yi; Liu, Ying-Le; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Facile synthesis of fused polycyclic compounds via intramolecular oxidative cyclization/aromatization of β-tetralone or β-tetralone oximes.","Organic & biomolecular chemistry","2018","16","46","9003","9010","10.1039/c8ob02031k","","","0.71073","MoKα","","0.122","0.0533","","","0.0967","0.1158","","","","","","0.967","","","","has coordinates","230746","2020-10-21","18:00:00",""
"7156557","11.4298","0.0006","14.3863","0.0008","15.3115","0.0008","90","","90","","90","","2517.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0377","0.0376","","","0.1013","0.1014","","","","","","1.113","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156558","7.3751","0.0003","15.7593","0.0007","10.1577","0.0004","90","","90.466","0.001","90","","1180.55","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H34 O9 -","- C26 H34 O9 -","- C52 H68 O18 -","2","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.034","0.0339","","","0.0825","0.0825","","","","","","3.155","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156559","7.8489","0.0001","7.8505","0.0001","11.6784","0.0002","74.58","","73.43","","87.86","","664.309","0.017","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C29 H38 O10 -","- C29 H38 O10 -","- C29 H38 O10 -","1","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0308","0.0307","","","0.0788","0.0788","","","","","","1.058","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156560","7.0433","0.0012","7.9515","0.0014","13.619","0.002","83.665","0.014","80.712","0.014","66.771","0.016","690.8","0.2","294.98","0.1","294.98","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C30 H36 O6 -","2","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","0.71073","MoKα","","0.1289","0.0671","","","0.1455","0.1918","","","","","","1.031","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156561","8.2734","0.0002","12.6013","0.0004","10.9726","0.0004","90","","104.864","0.003","90","","1105.68","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","","1.54184","CuKα","","0.0461","0.0394","","","0.1117","0.1191","","","","","","1.066","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156562","10.44121","0.00016","11.19736","0.00018","11.7174","0.00018","90","","90","","90","","1369.93","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0925","0.0935","","","","","","1.095","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156563","5.32172","0.00003","11.65514","0.00005","28.13606","0.00011","90","","90","","90","","1745.15","0.014","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu","Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.","Organic & biomolecular chemistry","2018","16","45","8819","8823","10.1039/c8ob02231c","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.0616","0.0616","","","","","","1.089","","","","has coordinates","230851","2020-10-21","18:00:00",""
"7156564","12.9237","0.0004","15.5472","0.0004","39.6257","0.0012","90","","90","","90","","7961.9","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O7 -","- C41 H58 O7 -","- C328 H464 O56 -","8","2","","Wang, Wen-Li; Zhu, Dong-Rong; Luo, Jie; Liu, Fei-Yan; Chen, Chen; Zhu, Tian-Yu; Li, Ling-Nan; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taiwanoids A-D, four dimeric diterpenoids featuring tetracyclic [7. 7<sup>5, 9</sup>. 4. 0<sup>5, 10</sup>. 0<sup>8, 9</sup>] octodecane from Taiwania cryptomerioidesim.","Organic & biomolecular chemistry","2018","16","46","9059","9063","10.1039/c8ob02566e","","","1.54178","CuKα","","0.0536","0.0439","","","0.1118","0.1185","","","","","","1.02","","","","has coordinates,has disorder","230745","2020-10-21","18:00:00",""
"7156565","10.80656","0.00008","17.94783","0.0001","7.75427","0.00006","90","","110.586","0.0008","90","","1407.94","0.019","150.04","0.1","150.04","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0459","0.0451","","","0.1204","0.1217","","","","","","1.048","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156566","11.4282","0.0002","25.2193","0.0004","7.59768","0.00013","90","","104.563","0.0017","90","","2119.39","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 B F2 N2 O3 -","- C26 H19 B F2 N2 O3 -","- C104 H76 B4 F8 N8 O12 -","4","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0449","0.0424","","","0.1123","0.1148","","","","","","1.063","","","","has coordinates,has disorder","230743","2020-10-21","18:00:00",""
"7156567","18.835","0.0008","7.1072","0.0003","21.7952","0.0009","90","","105.284","0.004","90","","2814.4","0.2","150.03","0.1","150.03","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C144 H112 O24 -","8","1","","Mistry, Anish; Knighton, Richard C.; Forshaw, Sam; Dualeh, Zakaria; Parker, Jeremy S.; Wills, Martin","Synthesis and cycloaddition reactions of strained alkynes derived from 2,2'-dihydroxy-1,1'-biaryls.","Organic & biomolecular chemistry","2018","16","46","8965","8975","10.1039/c8ob01768a","","x-ray","1.54184","CuKα","","0.0559","0.0508","","","0.1342","0.1432","","","","","","1.0443","","","","has coordinates","230743","2020-10-21","18:00:00",""
"7156568","16.251","0.0017","20.991","0.002","16.6756","0.0017","90","","96.331","0.002","90","","5653.8","1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Macrocycle M4b (tetramethoxy)","","- C46 H48 N4 O14 -","- C46 H48 N4 O14 -","- C184 H192 N16 O56 -","4","1","","Dempsey, Janel M.; Zhang, Qi-Wei; Oliver, Allen G.; Smith, Bradley D.","New tetralactam hosts for squaraine dyes.","Organic & biomolecular chemistry","2018","16","46","8976","8983","10.1039/c8ob02596g","","","0.71073","MoKα","","0.0812","0.0471","","","0.1061","0.1189","","","","","","1.037","","","","has coordinates","230750","2020-10-21","18:00:00",""
"7156569","8.4217","0.0006","17.9017","0.0012","18.0406","0.0012","90","","90","","90","","2719.9","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.3 H2.15 N0.15 O0.44 -","- C2.2963 H2.14815 N0.148148 O0.444444 -","- C124 H116 N8 O24 -","54","13.5","","Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.","Organic & biomolecular chemistry","2018","16","46","8927","8932","10.1039/c8ob02595a","","","0.71073","MoKα","","0.1","0.0611","","","0.1507","0.1736","","","","","","1.015","","","","has coordinates","230751","2020-10-21","18:00:00",""
"7156570","9.207","0.005","14.125","0.005","18.327","0.005","96.941","0.005","90.055","0.005","90.101","0.005","2365.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H0 F20.5 N20.5 O20.5 -","- C48 H50 F14 N4 O6 -","- C96 H100 F28 N8 O12 -","2","1","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71069","MoKα","","0.1036","0.0744","","","0.1932","0.222","","","","","","1.065","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156571","12.992","0.0004","9.8081","0.0003","18.9141","0.0006","90","","97.2446","0.0014","90","","2390.92","0.13","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F N O -","- C2.2 H1.9 F0.7 N0.2 O0.5 -","- C88 H76 F28 N8 O20 -","40","10","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","1.54178","CuKα","","0.1494","0.1397","","","0.4216","0.43","","","","","","3.804","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156572","10.7013","0.001","10.572","0.0009","19.8575","0.0018","90","","103.499","0.003","90","","2184.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3.83 H3.3 F1.04 I0.17 N0.35 O0.35 -","- C3.82609 H3.30435 F1.04348 I0.173913 N0.347826 O0.347826 -","- C88 H76 F24 I4 N8 O8 -","23","5.75","","Fu, Qiang; Wang, Rui; Liang, Fushun; Guan, Wei","Aza-tricycles containing a perfluoroalkyl group: synthesis, structure and fluorescence.","Organic & biomolecular chemistry","2018","16","46","8950","8954","10.1039/c8ob02749h","","","0.71073","MoKα","","0.1559","0.1291","","","0.3365","0.3637","","","","","","1.079","","","","has coordinates","230744","2020-10-21","18:00:00",""
"7156574","9.4496","0.0008","14.01","0.0008","13.9414","0.0011","90","","106.26","0.008","90","","1771.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Gao, Feng-Teng; Fang, Zheng; Su, Rui-Rui; Rui, Pei-Xin; Hu, Xiang-Guo","Hydroximoyl fluorides as the precursors of nitrile oxides: synthesis, stability and [3 + 2]-cycloaddition with alkynes.","Organic & biomolecular chemistry","2018","16","47","9211","9217","10.1039/c8ob02721h","","","0.71073","MoKα","","0.0548","0.0477","","","0.0981","0.1013","","","","","","1.172","","","","has coordinates","230763","2020-10-21","18:00:00",""
"7156575","14.778","0.003","5.9149","0.0009","29.159","0.005","90","","90","","90","","2548.8","0.8","180","0.1","180","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H11 F O3 -","- C17 H11 F O3 -","- C136 H88 F8 O24 -","8","1","","Guo, Jia; Peng, Xiaoshi; Wang, Xiaoyu; Xie, Fukai; Zhang, Xinhang; Liang, Guoduan; Sun, Zenghui; Liu, Yongxiang; Cheng, Maosheng; Liu, Yang","A gold-catalyzed cycloisomerization/aerobic oxidation cascade strategy for 2-aryl indenones from 1,5-enynes.","Organic & biomolecular chemistry","2018","16","47","9147","9151","10.1039/c8ob02582g","","","0.71073","MoKα","","0.2018","0.0801","","","0.1415","0.2043","","","","","","1.087","","","","has coordinates","230760","2020-10-21","18:00:00",""
"7156576","11.1459","0.0003","12.2398","0.0004","12.471","0.0004","67.383","0.001","76.829","0.001","77.617","0.001","1513.89","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Br N3 O5 S2 -","- C26 H22 Br N3 O5 S2 -","- C52 H44 Br2 N6 O10 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0633","0.0521","","","0.1544","0.1643","","","","","","1.044","","","","has coordinates,has disorder","230764","2020-10-21","18:00:00",""
"7156577","10.6362","0.0013","13.222","0.0016","11.2568","0.0014","90","","105.849","0.002","90","","1522.9","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H28 Br N3 O6 S2 -","- C29 H28 Br N3 O6 S2 -","- C58 H56 Br2 N6 O12 S4 -","2","1","","Gui, Hou-Ze; Wei, Yin; Shi, Min","Construction of spirothioureas having an amino quaternary stereogenic center via a [3 + 2] annulation of 3-isothiocyanato oxindoles with 2-aminoacrylates.","Organic & biomolecular chemistry","2018","16","47","9218","9222","10.1039/c8ob02748j","","","0.71073","MoKα","","0.0735","0.053","","","0.1374","0.1494","","","","","","1.054","","","","has coordinates","230764","2020-10-21","18:00:00",""
"7156578","7.7178","0.0007","9.2215","0.0009","9.9594","0.001","84.587","0.002","86.687","0.003","78.032","0.003","689.78","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br O3 S -","- C15 H11 Br O3 S -","- C30 H22 Br2 O6 S2 -","2","1","","Zhen, Qianqian; Huang, Dayun; Shao, Yinlin; Cheng, Tianxing; Chen, Jiuxi","Direct halosulfenylation of benzo[b]furans: a metal-free synthesis of 3-halo-2-thiobenzo[b]furans.","Organic & biomolecular chemistry","2018","16","47","9204","9210","10.1039/c8ob02680g","","","0.71073","MoKα","","0.0496","0.0394","","","0.1266","0.1643","","","","","","1.034","","","","has coordinates","230766","2020-10-21","18:00:00",""
"7156579","8.49","0.003","14.116","0.006","27.185","0.011","98.118","0.01","91.155","0.01","106.64","0.01","3084","2","296","2","196","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H68 B4 F12 K4 O8 -","- C56 H68 B4 F12 K4 O8 -","- C112 H136 B8 F24 K8 O16 -","2","1","","Zuo, Ya-Jie; Zhong, Zhuoran; Fan, Yinkun; Li, Xiangyu; Chen, Xiaolu; Chang, Yuwei; Song, Ruihu; Fu, Xinpeng; Zhang, Anling; Zhong, Chong-Min","Copper-catalyzed diastereoselective synthesis of β-boryl-α-quaternary carbon carboxylic esters.","Organic & biomolecular chemistry","2018","16","47","9237","9242","10.1039/c8ob02469c","","","0.71073","MoKα","","0.1196","0.0578","","","0.1343","0.1632","","","","","","1.03","","","","has coordinates","230759","2020-10-21","18:00:00",""
"7156580","6.8362","0.0001","15.7227","0.0003","10.0317","0.0001","90","","95.182","0.001","90","","1073.84","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H25 O9 -","- C22 H25 O9 -","- C44 H50 O18 -","2","1","","Nayak, Sabita; Panda, Pravati; Raiguru, Bishnu Prasad; Mohapatra, Seetaram; Purohit, Chandra Shekhar","Base mediated green synthesis of enantiopure 2-C-spiro-glycosyl-3-nitrochromenes.","Organic & biomolecular chemistry","2018","17","1","74","82","10.1039/c8ob02278j","","x-ray","1.54184","CuKα","","0.0502","0.0497","","","0.1455","0.1466","","","","","","1.1","","","","has coordinates","225077","2020-10-21","18:00:00",""
"7156581","10.4828","0.0005","13.6099","0.0006","13.9679","0.0005","76.703","0.004","79.086","0.004","80.64","0.004","1889.45","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H Cl N -","- C3.09677 H2.45161 Cl0.129032 N0.258065 -","- C96 H76 Cl4 N8 -","31","15.5","","Ling, Fei; Xiao, Lian; Fang, Lu; Feng, Cong; Xie, Zhen; Lv, Yaping; Zhong, Weihui","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-catalyzed Markovnikov addition of indoles to aryl alkynes: an approach toward bis(indolyl)alkanes.","Organic & biomolecular chemistry","2018","16","47","9274","9278","10.1039/c8ob02805b","","","0.71073","MoKα","","0.0868","0.0495","","","0.1115","0.1329","","","","","","1.028","","","","has coordinates","230762","2020-10-21","18:00:00",""
"7156582","9.7629","0.0004","11.7118","0.0006","13.505","0.0007","90.002","0.004","91.798","0.004","112.093","0.004","1429.97","0.13","293","","293","","","","","","","","","6","P -1","-P 1","2","","Unknown","","- C33 H27 F N2 O4 S -","- C33 H27 F N2 O4 S -","- C66 H54 F2 N4 O8 S2 -","2","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of highly substituted pyrrolidines bearing a stereogenic quaternary centre at the 3-position.","Organic & biomolecular chemistry","2018","16","48","9349","9353","10.1039/c8ob02648c","","x-ray","0.71073","MoKα","","0.0793","0.0594","","","0.1533","0.1689","","","","","","1.0679","","","","has coordinates","230772","2020-10-21","18:00:00",""
"7156583","6.4066","0.0005","18.5404","0.0016","16.577","0.0016","90","","91.794","0.007","90","","1968.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N6 O S -","- C21 H22 N6 O S -","- C84 H88 N24 O4 S4 -","4","1","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.1936","0.0696","","","0.0681","0.0948","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156584","21.5416","0.0013","5.972","0.0004","15.4401","0.0015","90","","90","","90","","1986.3","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C44 H44 N12 O4 -","- C44 H44 N12 O4 -","- C88 H88 N24 O8 -","2","0.5","","Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.","Organic & biomolecular chemistry","2018","16","48","9420","9429","10.1039/c8ob02644k","","","0.7107","MoKα","","0.11","0.0482","","","0.078","0.0984","","","","","","1.001","","","","has coordinates","230773","2020-10-21","18:00:00",""
"7156585","10.1745","0.0011","11.3873","0.0013","12.287","0.0014","85.634","0.002","82.125","0.002","86.327","0.002","1404","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H33 Br O5 -","- C31 H33 Br O5 -","- C62 H66 Br2 O10 -","2","1","","Zhou, Jia-Yu; Ma, Chun; Zhang, Yi-Zhu; Wu, Qiong; Shi, Feng","Catalyst-free [4 + 2] cyclization of para-quinone methide derivatives with homophthalic anhydrides.","Organic & biomolecular chemistry","2018","16","48","9382","9389","10.1039/c8ob02776e","","","0.71073","MoKα","","0.0892","0.0447","","","0.1012","0.1172","","","","","","1.01","","","","has coordinates","230776","2020-10-21","18:00:00",""
"7156586","8.6715","0.0011","18.093","0.002","22.594","0.003","90","","100.433","0.004","90","","3486.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl (2R,3R,4R)-4-(2-(4-methoxyphenyl)-2-oxoethyl)-4'-oxo-3'-phenyl-2'-thioxo-1-tosyl-1,4-dihydro-2H-spiro[quinoline-3,5'-thiazolidine]-2-carboxylate","","- C36 H32 N2 O7 S3 -","- C36 H32 N2 O7 S3 -","- C144 H128 N8 O28 S12 -","4","2","","Song, Yong-Xing; Du, Da-Ming","Asymmetric synthesis of highly functionalized spirothiazolidinone tetrahydroquinolines via a squaramide-catalyzed cascade reaction.","Organic & biomolecular chemistry","2018","16","48","9390","9401","10.1039/c8ob02731e","","","0.71073","MoKα","","0.0571","0.038","","","0.0789","0.0869","","","","","","1.02","","","","has coordinates,has disorder","230775","2020-10-21","18:00:00",""
"7156587","7.7671","0.0001","16.3554","0.0003","17.5789","0.0003","90","","90","","90","","2233.12","0.06","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O5 -","- C26 H34 O5 -","- C104 H136 O20 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.0579","0.0482","","","0.1202","0.1404","","","","","","1.0301","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156588","13.288","0.0005","6.3903","0.0002","14.4021","0.0005","90","","111.827","0.004","90","","1135.27","0.08","297.99","0.11","297.99","0.11","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.061","0.0521","","","0.1355","0.1488","","","","","","1.114","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156589","13.9171","0.0003","18.5603","0.0004","27.189","0.0005","90","","90","","90","","7023.1","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 N O6 -","- C39 H53 N O6 -","- C312 H424 N8 O48 -","8","2","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54178","CuKα","","0.0452","0.0378","","","0.0861","0.0904","","","","","","1.058","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156591","9.0274","0.0004","12.8372","0.0005","15.1428","0.0006","80.836","0.003","75.449","0.004","70.099","0.004","1591.87","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H27 F6 N2 O5 S -","- C34 H27 F6 N2 O5 S -","- C68 H54 F12 N4 O10 S2 -","2","1","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.0909","0.0569","","","0.1538","0.1684","","","","","","1.041","","","","has coordinates,has disorder","230770","2020-10-21","18:00:00",""
"7156592","9.877","0.006","11.908","0.007","16.045","0.01","90","","90","","90","","1887","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C80 H56 F24 O24 -","8","2","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.1328","0.0673","","","0.1303","0.1582","","","","","","1.001","","","","has coordinates","230770","2020-10-21","18:00:00",""
"7156593","11.1159","0.0003","11.1159","0.0003","18.9404","0.0012","90","","90","","90","","2340.34","0.17","223","2","223","2","","","","","","","","5","P 41","P 4w","76","","(R)-1-(4-bromobutan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H13 Br N2 O2 -","- C9 H13 Br N2 O2 -","- C72 H104 Br8 N16 O16 -","8","2","","Lee, Su-Jeong; Ahn, Jun-Gi; Seo, Jihwan; Ha, Heun-Jong; Cho, Chang-Woo","Organocatalytic enantioselective synthesis of acyclic pyrimidine nucleosides by aza-Michael reaction.","Organic & biomolecular chemistry","2018","16","48","9477","9486","10.1039/c8ob02754d","","","0.71073","MoKα","","0.1324","0.0814","","","0.2077","0.2452","","","","","","1.037","","","","has coordinates","230771","2020-10-21","18:00:00",""
"7156594","9.4914","0.0007","13.1578","0.0009","24.0997","0.0019","90","","90.676","0.002","90","","3009.5","0.4","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 N2 O3 -","- C37 H30 N2 O3 -","- C148 H120 N8 O12 -","4","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","","0.71073","MoKα","","0.0632","0.0418","","","0.1195","0.1302","","","","","","1.008","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7156595","14.5095","0.0001","15.4251","0.0001","22.0039","0.0001","90","","107.777","0.001","90","","4689.56","0.06","294.15","","294.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 N2 O2 -","- C31 H24 N2 O2 -","- C248 H192 N16 O16 -","8","1","","Zhang, Jiayong; Miao, Zhiwei","Bisphosphine catalyzed sequential [3 + 2] cycloaddition and Michael addition of ynones with benzylidenepyrazolones via dual α',α'-C(sp<sup>3</sup>)-H bifunctionalization to construct cyclopentanone-fused spiro-pyrazolones.","Organic & biomolecular chemistry","2018","16","48","9461","9471","10.1039/c8ob02675k","","x-ray","1.54184","CuKα","","0.0375","0.0363","","","0.1001","0.101","","","","","","1.035","","","","has coordinates","230774","2020-10-21","18:00:00",""
"7156596","16.7527","0.0011","9.2802","0.0006","19.428","0.0011","90","","90","","90","","3020.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.53 H2.27 N0.13 O0.13 -","- C2.53333 H2.26667 N0.133333 O0.133333 -","- C152 H136 N8 O8 -","60","7.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71073","MoKα","","0.0748","0.0534","","","0.1286","0.1428","","","","","","1.007","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156597","8.9496","0.0003","9.6224","0.0003","14.1054","0.0005","100.823","0.0011","90.1216","0.0011","110.257","0.001","1116.34","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cl2 N4 O6 -","- C54 H46 Cl2 N4 O6 -","- C54 H46 Cl2 N4 O6 -","1","0.5","","Xiao, Jun-An; Cheng, Xiu-Liang; Li, Yu-Chun; He, Yi-Miao; Li, Jin-Lian; Liu, Zhi-Ping; Xia, Peng-Ju; Su, Wei; Yang, Hua","Palladium-catalysed ring-opening [3 + 2]-annulation of spirovinylcyclopropyl oxindole to diastereoselectively access spirooxindoles.","Organic & biomolecular chemistry","2018","17","1","103","107","10.1039/c8ob02859a","","","0.71076","MoKα","","0.0578","0.0446","","","0.1129","0.121","","","","","","1.025","","","","has coordinates","225082","2020-10-21","18:00:00",""
"7156598","10.5281","0.001","7.794","0.0009","25.907","0.002","90","","90","","90","","2125.8","0.4","294.63","0.1","294.63","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C80 H56 Br8 I8 N8 -","8","1","","Wang, Fang; Zhang, Xinying; He, Yan; Fan, Xuesen","Selective synthesis of pyrrolidin-2-ones and 3-iodopyrroles via the ring contraction and deformylative functionalization of piperidine derivatives.","Organic & biomolecular chemistry","2018","17","1","156","164","10.1039/c8ob02640h","","x-ray","0.71073","MoKα","","0.1534","0.1155","","","0.2883","0.3252","","","","","","1.043","","","","has coordinates","225079","2020-10-21","18:00:00",""
"7156603","10.8594","0.0004","7.3763","0.0003","15.5152","0.0007","90","","92.469","0.003","90","","1241.65","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H39 N3 O6 -","- C27 H39 N3 O6 -","- C54 H78 N6 O12 -","2","1","","Alkayar, Ziad T. I.; Coldham, Iain","Cascade cyclization and intramolecular nitrone dipolar cycloaddition and formal synthesis of 19-hydroxyibogamine.","Organic & biomolecular chemistry","2018","17","1","66","73","10.1039/c8ob02839g","","","1.54178","CuKα","","0.0679","0.0451","","","0.0994","0.1112","","","","","","1.011","","","","has coordinates","225080","2020-10-21","18:00:00",""
"7156606","6.9268","0.0004","7.6212","0.0004","39.643","0.003","90","","90","","90","","2092.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O11 -","- C20 H32 O11 -","- C80 H128 O44 -","4","1","","Wang, Junfeng; Qin, Li; Zhao, Biqing; Cai, Liang; Zhong, Zhenping; Liu, Yonghong; Zhou, Xiaojiang","Crotonols A and B, two rare tigliane diterpenoid derivatives against K562 cells from Croton tiglium.","Organic & biomolecular chemistry","2018","17","1","195","202","10.1039/c8ob02519c","","","1.54178","CuKα","","0.1013","0.0777","","","0.1777","0.1902","","","","","","1.097","","","","has coordinates","225078","2020-10-21","18:00:00",""
"7156607","7.1064","0.0012","10.3163","0.0018","15.973","0.002","90","","90","","90","","1171","0.3","110","","110","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E","Highly selective AlCl<sub>3</sub> initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.","Organic & biomolecular chemistry","2018","17","1","49","52","10.1039/c8ob02961j","","x-ray","0.71073","MoKα","","0.0291","0.0279","","","0.0731","0.0736","","","","","","1.083","","","","has coordinates,has disorder","225081","2020-10-21","18:00:00",""
"7157203","7.6469","0.0006","11.4426","0.0008","19.78","0.0013","90","","93.222","0.005","90","","1728","0.2","296","2","296","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","KN-415","(3-Benzoylbenzofuran-2-yl)(p-tolyl)methanone","","- C23 H16 O3 -","- C23 H16 O3 -","- C92 H64 O12 -","4","1","","Neog, Kashmiri; Das, Babulal; Gogoi, Pranjal","2,3-Diaroyl benzofurans from arynes: sequential synthesis of 2-aroyl benzofurans followed by benzoylation.","Organic & biomolecular chemistry","2018","16","17","3138","3150","10.1039/c8ob00631h","","","0.71073","MoKα","","0.0624","0.0447","","","0.1371","0.1521","","","","","","1.056","","","","has coordinates","227924","2020-10-21","18:00:00",""
"7157204","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galai6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0457","0.0385","","","0.0934","0.0961","","","","","","1.069","","","","has coordinates","227925","2020-10-21","18:00:00",""
"7157205","24.3697","0.0019","9.1064","0.0007","6.6779","0.0006","90","","99.992","0.004","90","","1459.5","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0317","0.0314","","","0.0818","0.0824","","","","","","1.024","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157206","24.373","0.002","9.0977","0.0008","6.6706","0.0006","90","","99.828","0.004","90","","1457.4","0.2","205","","205","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0355","0.0302","","","0.0716","0.0735","","","","","","0.973","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157207","24.2407","0.0008","9.1871","0.0003","6.5418","0.0003","90","","105.441","0.002","90","","1404.28","0.09","173","","173","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Wang, Fan; Yang, Hong; Yu, Shujuan; Xue, Yu; Fan, Zhoulong; Liang, Gaolin; Geng, Meiyu; Zhang, Ao; Ding, Chunyong","Total synthesis of (±)-tanshinol B, tanshinone I, and (±)-tanshindiol B and C.","Organic & biomolecular chemistry","2018","16","18","3376","3381","10.1039/c8ob00567b","","","1.54178","CuKα","","0.0367","0.0331","","","0.0847","0.0865","","","","","","1.04","","","","has coordinates","227926","2020-10-21","18:00:00",""
"7157224","8.4375","0.0006","19.2059","0.0012","13.8112","0.001","90","","105.9","0.007","90","","2152.5","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2''-bromo-4-methyl-5'-(piperidin-1-yl)-[1,1':3',1''-terphenyl]-4'-carbonitrile","","- C2.5 H2.3 Br0.1 N0.2 -","- C2.5 H2.3 Br0.1 N0.2 -","- C100 H92 Br4 N8 -","40","10","","Althagafi, Ismail; Shaw, Ranjay; Tang, Cheng-Run; Panwar, Rahul; Shally, ?; Sinha, Chanda; Kumar, Amit; Zheng, Yong-Tang; Pratap, Ramendra","Chemoselective synthesis of isolated and fused fluorenones and their photophysical and antiviral properties.","Organic & biomolecular chemistry","2018","16","40","7477","7487","10.1039/c8ob01733f","","","0.71073","MoKα","","0.0848","0.0572","","","0.1502","0.1679","","","","","","1.039","","","","has coordinates","236878","2020-10-21","18:00:00",""
"7228925","9.6258","0.0016","10.1155","0.0017","12.305","0.002","109.255","0.002","94.577","0.002","100.77","0.002","1098.2","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Cl4 Fe N O4 -","- C13 H28 Cl4 Fe N O4 -","- C26 H56 Cl8 Fe2 N2 O8 -","2","1","","Oba, Yukiko; Okuhata, Megumi; Osakai, Toshiyuki; Mochida, Tomoyuki","Solvate and protic ionic liquids from aza-crown ethers: synthesis, thermal properties, and LCST behavior.","Physical chemistry chemical physics : PCCP","2018","20","5","3118","3127","10.1039/c7cp02807e","","","0.71073","MoKα","","0.0911","0.0586","","","0.1446","0.1649","","","","","","1.032","","","","has coordinates,has disorder","230912","2020-10-21","18:00:00",""
"7229415","14.0947","0.0004","5.86763","0.00014","18.4634","0.0005","90","","97.511","0.003","90","","1513.87","0.07","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Karu, Ramesh; Gedu, Satyanarayana","Microwave assisted domino heck cyclization and alkynylation: synthesis of alkyne substituted dihydrobenzofurans","Green Chemistry","2018","20","2","369","","10.1039/C7GC02606D","","x-ray","1.54184","CuKα","","0.0832","0.0581","","","0.1844","0.2002","","","","","","1.2425","","","","has coordinates","230098","2020-10-21","18:00:00",""
"7229477","8.13783","0.00015","11.6634","0.0002","13.498","0.0003","93.4739","0.0009","96.731","0.001","103.882","0.0011","1229.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 S2 -","- C28 H22 N2 O6 S2 -","- C56 H44 N4 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1037","0.0703","","","0.1761","0.2066","","","","","","1.043","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229478","8.62524","0.00016","12.5088","0.0002","13.0025","0.0002","87.7507","0.0011","79.534","0.001","85.0219","0.0011","1373.92","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O6 S2 -","- C31 H27 N3 O6 S2 -","- C62 H54 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0683","0.0521","","","0.1435","0.1574","","","","","","1.072","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229479","11.4757","0.0005","12.2489","0.0005","12.7795","0.0006","85.3743","0.0019","76.109","0.0018","70.8493","0.0019","1647.3","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","- C72 H84 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.2328","0.123","","","0.3184","0.4139","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229480","10.9957","0.0008","12.0694","0.0011","12.8047","0.0007","85.373","0.006","73.757","0.005","75.131","0.005","1576.8","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","- C68 H74 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0926","0.0601","","","0.154","0.1973","","","","","","1.011","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229481","10.9459","0.0002","12.1089","0.0002","12.9588","0.0003","84.1094","0.0013","72.953","0.0013","74.0952","0.0013","1578.8","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","- C68 H72 N4 O12 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0696","0.0568","","","0.1685","0.1753","","","","","","1.14","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229482","11.0418","0.0005","12.4363","0.0005","12.5998","0.0005","88.953","0.002","77.1337","0.0019","77.137","0.002","1643.53","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","- C72 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1382","0.0848","","","0.2278","0.2879","","","","","","1.102","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229483","11.6922","0.0002","20.8466","0.0004","13.0536","0.0002","90","","101.529","0.0007","90","","3117.53","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N2 O6 S2 -","- C34 H34 N2 O6 S2 -","- C136 H136 N8 O24 S8 -","4","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0501","0.0439","","","0.1091","0.1125","","","","","","1.062","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229484","8.70878","0.00016","12.5376","0.0002","12.6766","0.0002","86.7619","0.0009","79.087","0.0008","86.3097","0.0011","1354.89","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N3 O6 S2 -","- C30 H25 N3 O6 S2 -","- C60 H50 N6 O12 S4 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0661","0.0514","","","0.1429","0.1506","","","","","","1.104","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229485","14.0762","0.0003","11.0705","0.0002","23.2945","0.0005","90","","92.1146","0.001","90","","3627.52","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 N4 O10 S4 -","- C78 H96 N4 O10 S4 -","- C156 H192 N8 O20 S8 -","2","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1221","0.087","","","0.2155","0.2324","","","","","","0.994","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229486","10.9203","0.0002","11.9997","0.0002","12.8965","0.0002","84.6483","0.001","73.4045","0.0009","75.8535","0.001","1569.95","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","- C68 H70 N6 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0499","0.0419","","","0.1131","0.1254","","","","","","1.098","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229487","11.2092","0.0004","12.181","0.0004","12.8326","0.0004","85.505","0.0017","74.8198","0.0018","73.1335","0.0018","1618.27","0.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","- C70 H82 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1313","0.0966","","","0.27","0.3241","","","","","","1.097","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229488","10.9315","0.0002","12.0707","0.0002","12.7651","0.0002","84.8346","0.0007","72.9469","0.0007","75.4678","0.0007","1558.54","0.05","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H70 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","- C66 H68 F2 N4 O10 S4 -","1","0.5","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.0599","0.0473","","","0.1262","0.1341","","","","","","1.094","","","","has coordinates","228934","2020-10-21","18:00:00",""
"7229489","14.1225","0.0003","17.0279","0.0003","17.493","0.0003","81.2059","0.0011","69.2791","0.0011","72.4461","0.001","3746.3","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cl3 N4 O10 S4 -","- C77 H93 Cl3 N4 O10 S4 -","- C154 H186 Cl6 N8 O20 S8 -","2","1","","Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones","CrystEngComm","2018","20","1","17","","10.1039/C7CE01752A","","","1.54187","CuKα","","0.1338","0.0818","","","0.1783","0.2007","","","","","","0.825","","","","has coordinates,has disorder","228934","2020-10-21","18:00:00",""
"7229495","23.205","0.013","9.153","0.005","19.653","0.011","90","","99.912","0.001","90","","4112","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H61 O3 P S -","- C46 H59 O3 P S -","- C184 H236 O12 P4 S4 -","4","1","","Hisamitsu, Shota; Yanai, Nobuhiro; Kouno, Hironori; Magome, Eisuke; Matsuki, Masaya; Yamada, Teppei; Monguzzi, Angelo; Kimizuka, Nobuo","Two-dimensional structural ordering in a chromophoric ionic liquid for triplet energy migration-based photon upconversion.","Physical chemistry chemical physics : PCCP","2018","20","5","3233","3240","10.1039/c7cp06266d","","","0.71075","MoKα","","0.1429","0.0914","","","0.2355","0.2767","","","","","","1.072","","","","has coordinates,has disorder","230911","2020-10-21","18:00:00",""
"7229504","10.875","0.003","13.212","0.003","13.585","0.004","90","","101.227","0.003","90","","1914.5","0.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 Co2 N4 O12 -","- C36 H50 Co2 N4 O12 -","- C72 H100 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.097","0.0759","","","0.2008","0.2199","","","","","","1.048","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229505","11.1974","0.0008","14.7981","0.001","12.0119","0.0008","90","","112.731","0.001","90","","1835.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Cd2 N4 O11 -","- C35 H46 Cd2 N4 O11 -","- C70 H92 Cd4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0325","0.0288","","","0.0641","0.0675","","","","","","1.03","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229506","10.3191","0.0013","13.4103","0.0016","13.1239","0.0016","90","","93.368","0.002","90","","1813","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H46 Co2 N4 O11 -","- C35 H46 Co2 N4 O11 -","- C70 H92 Co4 N8 O22 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.0549","0.0434","","","0.1093","0.1173","","","","","","1.037","","","","has coordinates","229162","2020-10-21","18:00:00",""
"7229507","11.653","0.006","13.074","0.006","13.802","0.007","90","","105.036","0.006","90","","2030.8","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Co2 N4 O12 -","- C37 H52 Co2 N4 O12 -","- C74 H104 Co4 N8 O24 -","2","0.5","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","","0.71073","MoKα","","0.1418","0.0881","","","0.2035","0.2365","","","","","","1.025","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229508","13.2458","0.001","10.4071","0.0008","19.9682","0.0015","90","","91.592","0.001","90","","2751.6","0.4","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H73 Cd2 N8 O17 -","- C52 H73 Cd2 N8 O17 -","- C104 H146 Cd4 N16 O34 -","2","1","","Przybyla, Jack J.; LaDuca, Robert L.","Control of chirality and catenation in cobalt and cadmium camphorate coordination complexes","CrystEngComm","2018","20","3","280","","10.1039/C7CE01712J","","x-ray","0.71073","MoKα","","0.0408","0.0366","","","0.0866","0.09","","","","","","1.054","","","","has coordinates,has disorder","229162","2020-10-21","18:00:00",""
"7229515","12.36487","0.00018","9.88933","0.00014","9.81295","0.00015","90","","104.362","0.0015","90","","1162.43","0.03","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C30 H18 N2 S3 -","- C30 H18 N2 S3 -","- C60 H36 N4 S6 -","2","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0952","0.0958","","","","","","0.992","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229516","8.7193","0.0003","11.6007","0.0004","18.7861","0.0009","87.754","0.003","87.804","0.003","78.925","0.003","1862.47","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Cl3 N3 O4 S -","- C41 H34 Cl3 N3 O4 S -","- C82 H68 Cl6 N6 O8 S2 -","2","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.1121","0.1021","","","0.3062","0.3289","","","","","","1.409","","","","has coordinates,has disorder","230921","2020-10-21","18:00:00",""
"7229517","9.1049","0.0007","8.6592","0.0007","13.7163","0.0008","90","","100.773","0.007","90","","1062.35","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C48 H52 N4 O6 S2 -","2","0.5","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.0849","0.0715","","","0.2188","0.2373","","","","","","1.044","","","","has coordinates,has disorder","230921","2020-10-21","18:00:00",""
"7229518","27.433","0.0009","14.3097","0.0004","8.5187","0.0003","90","","93.32","0.003","90","","3338.47","0.19","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C40 H33 N3 O S4 -","- C40 H33 N3 O S4 -","- C160 H132 N12 O4 S16 -","4","2","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","0.6889","","","0.0388","0.0357","","","0.0921","0.094","","","","","","1.031","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229519","8.7955","0.0003","9.477","0.0004","12.8838","0.0005","90","","92.537","0.003","90","","1072.88","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 S2 -","- C24 H26 N2 O2 S2 -","- C48 H52 N4 O4 S4 -","2","0.5","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.0452","0.0398","","","0.0998","0.1066","","","","","","1.035","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229520","13.41","0.0003","8.3348","0.0002","18.3351","0.0004","90","","101.022","0.002","90","","2011.51","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C96 H104 N8 O16 -","4","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","1.54184","CuKα","","0.0448","0.0371","","","0.0999","0.1062","","","","","","1.032","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229521","9.07634","0.00015","18.5416","0.0005","31.2516","0.0005","90","","90","","90","","5259.33","0.19","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H19 Cl3 N2 O2 S -","- C31 H19 Cl3 N2 O2 S -","- C248 H152 Cl24 N16 O16 S8 -","8","1","","Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R.","Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads.","Physical chemistry chemical physics : PCCP","2018","20","2","752","764","10.1039/c7cp06952a","","x-ray","0.6889","","","0.0427","0.0387","","","0.1005","0.1052","","","","","","1.053","","","","has coordinates","230921","2020-10-21","18:00:00",""
"7229534","7.5875","0.0006","11.9287","0.0008","15.8232","0.0013","82.931","0.003","78.678","0.002","75.529","0.003","1355.58","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(2E)-N-(2-methylphenyl)-2-{2-[(2-oxo-2H-chromen-3-yl)methoxy]benzylidene}hydrazinecarbothioamide, 1,4-dioxane solvate","","- C29 H28 N3 O5 S -","- C29 H29 N3 O5 S -","- C58 H58 N6 O10 S2 -","2","1","","Hussain, Majid; Bauzá, Antonio; Frontera, Antonio; Lo, Kong Mun; Naseer, Muhammad Moazzam","Structure guided or structure guiding? Mixed carbon/hydrogen bonding in a bis-Schiff base of N-allyl isatin","CrystEngComm","2018","20","2","150","","10.1039/C7CE01697B","","","0.71073","MoKα","","0.0671","0.044","","","0.1084","0.1223","","","","","","1.028","","","","has coordinates","229003","2020-10-21","18:00:00",""
"7229561","6.021","0.0005","12.32","0.0009","13.294","0.001","77.871","0.001","77.259","0.001","79.486","0.001","930.75","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","- C22 H28 Cr Mo6 N6 O27 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71069","MoKα","","0.0275","0.023","","","0.0538","0.0559","","","","","","1.036","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229562","12.3636","0.0005","13.0466","0.0005","14.4949","0.0005","106.06","0.001","97.818","0.001","111.813","0.001","2009.83","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","- C28 H76 Co3 Cr2 Mo12 N6 O73 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0343","0.0283","","","0.0711","0.0744","","","","","","1.035","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229563","25.9299","0.0017","9.8335","0.0006","24.7101","0.0016","90","","117.076","0.002","90","","5610.1","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H53 Co3 Cr Mo6 N6 O46 -","- C25 H48.9998 Co3 Cr Mo6 N6 O46 -","- C100 H195.999 Co12 Cr4 Mo24 N24 O184 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0551","0.034","","","0.0653","0.0717","","","","","","1.011","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229564","9.624","0.002","13.716","0.004","14.061","0.003","61.168","0.004","70.68","0.005","88.297","0.005","1515.4","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H53 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","- C32 H52.9998 Cr Cu3 Mo6 N8 O41 -","1","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0664","0.0547","","","0.155","0.1641","","","","","","1.001","","","","has coordinates,has disorder","228930","2020-10-21","18:00:00",""
"7229565","26.323","0.002","9.8415","0.0009","25.627","0.003","90","","117.922","0.001","90","","5866","1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Cu3 Mo6 N6 O45 -","- C24 H44 Cl Cr Cu3 Mo6 N6 O45 -","- C96 H176 Cl4 Cr4 Cu12 Mo24 N24 O180 -","4","0.5","","Wang, Xiu-Li; Song, Ge; Lin, Hong-Yan; Wang, Xiang; Liu, Guo-Cheng; Rong, Xing","Solvent-controlled synthesis of various Anderson-type polyoxometalate-based metal‒organic complexes with excellent capacity for the chromatographic separation of dyes","CrystEngComm","2018","20","1","51","","10.1039/C7CE01092C","","","0.71073","MoKα","","0.0659","0.0388","","","0.0891","0.1","","","","","","1.032","","","","has coordinates","228930","2020-10-21","18:00:00",""
"7229592","22.8514","0.0004","12.0435","0.0002","13.7823","0.0003","90","","115.769","0.001","90","","3415.84","0.11","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H38 S2 -","- C45 H38 S2 -","- C180 H152 S8 -","4","0.5","","Uematsu, K.; Noguchi, K.; Nakano, K.","Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.","Physical chemistry chemical physics : PCCP","2018","20","5","3286","3295","10.1039/c7cp06342c","","","1.54187","CuKα","","0.0415","0.0388","","","0.1075","0.1098","","","","","","1.07","","","","has coordinates","230914","2020-10-21","18:00:00",""
"7229593","12.014","0.0002","9.11776","0.00017","21.2612","0.0004","90","","104.426","0.0007","90","","2255.54","0.07","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 O P S2 -","- C30 H17 O P S2 -","- C120 H68 O4 P4 S8 -","4","1","","Uematsu, K.; Noguchi, K.; Nakano, K.","Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.","Physical chemistry chemical physics : PCCP","2018","20","5","3286","3295","10.1039/c7cp06342c","","","1.54187","CuKα","","0.0352","0.0344","","","0.0924","0.0931","","","","","","1.062","","","","has coordinates","230914","2020-10-21","18:00:00",""
"7229594","12.1314","0.0002","12.3033","0.0002","14.3697","0.0003","83.5273","0.0007","85.5012","0.0007","81.3505","0.0007","2102.73","0.07","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H15.5 Cl1.5 N O S2 -","- C26.5 H15.5 Cl1.5 N O S2 -","- C106 H62 Cl6 N4 O4 S8 -","4","2","","Uematsu, K.; Noguchi, K.; Nakano, K.","Synthesis and properties of [7]helicene and [7]helicene-like compounds with a cyclopenta[1,2-b:4,3-b']dithiophene or dithieno[2,3-b:3',2'-d]heterole skeleton.","Physical chemistry chemical physics : PCCP","2018","20","5","3286","3295","10.1039/c7cp06342c","","","1.54187","CuKα","","0.0762","0.0673","","","0.1837","0.1917","","","","","","1.088","","","","has coordinates","230914","2020-10-21","18:00:00",""
"7229607","16.744","0.0005","8.987","0.0002","31.956","0.0011","90","0.0017","101.227","0.0016","90","0.0017","4716.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Fe P2 -","- C24 H40 Fe P2 -","- C192 H320 Fe8 P16 -","8","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.7107","MoKα","","0.0347","0.0307","","","0.0813","0.0839","","","","","","1.052","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229608","14.3675","0.0016","8.2658","0.001","18.64","0.0016","90","","123.87","0.006","90","","1838","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N3 O9.5 Tb -","- C18 H11 N3 O9.25 Tb -","- C72 H44 N12 O37 Tb4 -","4","1","","Huang, X. H.; Shi, L.; Ying, S. M.; Yan, G. Y.; Liu, L. H.; Sun, Y. Q.; Chen, Y. P.","Two lanthanide metal‒organic frameworks as sensitive luminescent sensors for the detection of Cr2+ and Cr2O72− in aqueous solutions","CrystEngComm","2018","20","2","189","","10.1039/C7CE01781B","","","0.71073","MoKα","","0.0289","0.0272","","","0.0629","0.0636","","","","","","1.086","","","","has coordinates","229004","2020-10-21","18:00:00",""
"7229609","9.6487","0.0015","5.2866","0.0007","11.1382","0.0019","90","","110.361","0.005","90","","532.65","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Synthesis of 1-(4-fluorphenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 F N3 O -","- C12 H10 F N3 O -","- C24 H20 F2 N6 O2 -","2","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0432","0.0351","","","0.087","0.0913","","","","","","1.058","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229610","5.4917","0.0005","16.1489","0.0013","12.4976","0.001","90","","100.382","0.007","90","","1090.2","0.16","295","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-bis(phenyl)triazene N3-hyroxide","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","","0.71073","MoKα","","0.2174","0.0687","","","0.1464","0.2041","","","","","","0.998","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229611","6.168","0.0009","9.574","0.0016","19.477","0.003","90","","96.539","0.009","90","","1142.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-chlorophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Cl N3 O -","- C12 H10 Cl N3 O -","- C48 H40 Cl4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.1158","0.066","","","0.166","0.1886","","","","","","1.015","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229612","6.2398","0.0003","9.7185","0.0005","19.5527","0.001","90","","96.462","0.002","90","","1178.17","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-bromophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C48 H40 Br4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0612","0.0336","","","0.0646","0.0727","","","","","","1.005","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229613","4.7465","0.0003","9.9491","0.0006","26.6177","0.0014","90","","90","","90","","1256.98","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-iodophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 I N3 O -","- C12 H10 I N3 O -","- C48 H40 I4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0854","0.0466","","","0.1145","0.1316","","","","","","1.037","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229619","7.3712","0.0004","10.3338","0.0006","13.8683","0.0008","90","","93.683","0.003","90","","1054.2","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H8 Cl2 O2 S -","- C9 H8 Cl2 O2 S -","- C36 H32 Cl8 O8 S4 -","4","2","","Pye, Scott J.; Dalgarno, Scott J.; Chalker, Justin M.; Raston, Colin L.","Organic oxidations promoted in vortex driven thin films under continuous flow","Green Chemistry","2018","20","1","118","","10.1039/C7GC03352D","","","0.71073","MoKα","","0.0257","0.0239","","","0.0569","0.058","","","","","","1.069","","","","has coordinates","230088","2020-10-21","18:00:00",""
"7229620","7.8477","0.0005","7.955","0.0005","20.8582","0.0011","90","","96.801","0.002","90","","1292.98","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Pye, Scott J.; Dalgarno, Scott J.; Chalker, Justin M.; Raston, Colin L.","Organic oxidations promoted in vortex driven thin films under continuous flow","Green Chemistry","2018","20","1","118","","10.1039/C7GC03352D","","","0.71073","MoKα","","0.0315","0.0283","","","0.0735","0.0755","","","","","","1.046","","","","has coordinates","230088","2020-10-21","18:00:00",""
"7229621","19.293","0.004","7.2555","0.0014","23.177","0.005","90","","90","","90","","3244.3","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H16 F N -","- C22 H16 F N -","- C176 H128 F8 N8 -","8","1","","Ahmed, Waqar; Zhang, Sheng; Yu, Xiaoqiang; Yamamoto, Yoshinori; Bao, Ming","Brønsted acid-catalyzed metal- and solvent-free quinoline synthesis fromN-alkyl anilines and alkynes or alkenes","Green Chemistry","2018","20","1","261","","10.1039/C7GC03175K","","","0.71073","MoKα","","0.1207","0.0506","","","0.1157","0.1482","","","","","","1.008","","","","has coordinates","276332","2022-06-28","15:25:32",""
"7229622","8.771","0.008","8.771","0.008","26.13","0.02","90","","90","","90","","2010","3","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au3.56 Ba Ga8.44 -","- Au3.56 Ba Ga8.44 -","- Au28.48 Ba8 Ga67.52 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0937","0.0672","","","0.1437","0.1602","","","","","","1.106","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229623","7.33","0.009","7.33","0.009","14.105","0.017","90","","90","","90","","757.8","1.6","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.41 Gd2 Sb3.59 -","- Au11.41 Gd2 Sb3.59 -","- Au22.82 Gd4 Sb7.18 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0929","0.1024","","","","","","1.019","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229624","7.307","0.0006","7.307","0.009","14.0497","0.0014","90","","90","","90","","750.1","0.9","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Au11.98 Gd2 Sb3.02 -","- Au11.98 Gd2 Sb3.02 -","- Au23.96 Gd4 Sb6.04 -","2","0.0625","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0689","0.0462","","","0.1039","0.1155","","","","","","1.054","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229625","8.774","0.001","8.774","0.001","26.064","0.004","90","","90","","90","","2006.5","0.4","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Au4.38 Ba Ga7.62 -","- Au4.372 Ba Ga7.628 -","- Au34.976 Ba8 Ga61.024 -","8","0.25","","Celania, Chris; Smetana, Volodymyr; Mudring, Anja-Verena","Bringing order to large-scale disordered complex metal alloys: Gd2Au15−xSbxand BaAuxGa12−x","CrystEngComm","2018","20","3","348","","10.1039/C7CE01865G","","","0.71073","MoKα","","0.0939","0.0733","","","0.1587","0.1687","","","","","","1.164","","","","has coordinates","229158","2020-10-21","18:00:00",""
"7229628","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229629","5.56","0.005","14.516","0.013","16.611","0.015","90","","93.872","0.016","90","","1338","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2","(E)-2-(5-(2-(thiophen-2-yl)vinyl)-thiophen-2-yl)-ethene-1,1,2-tricarbonitrile","","- C15 H7 N3 S2 -","- C15 H7 N3 S2 -","- C60 H28 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.0567","0.0363","","","0.0833","0.093","","","","","","1.071","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229630","9.1187","0.0016","10.6243","0.0018","16.361","0.003","73.912","0.003","82.666","0.003","70.835","0.003","1437.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","3","(E)-2-(3,4-dibu-tyl-5-(2-(3,4-dibutylthiophen-2-yl)vinyl)thiophen-2-yl) ethene-1,1,2-tricarbo-nitrile","","- C31 H39 N3 S2 -","- C31 H39 N3 S2 -","- C62 H78 N6 S4 -","2","1","","Pham, Phuong-Truc T.; Young, Victor G.; Bader, Mamoun M.","The impact of vinylene bridges and side chain alkyl groups on the solid state structures of tricyanovinyl-substituted thiophenes","CrystEngComm","2018","20","1","128","","10.1039/C7CE01574G","","","0.71073","MoKα","","0.1038","0.0649","","","0.1444","0.1611","","","","","","1.042","","","","has coordinates","228931","2020-10-21","18:00:00",""
"7229631","7.0914","0.0002","12.8955","0.0004","16.1234","0.0006","90","","99.027","0.001","90","","1456.18","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N4 -","- C19 H12 N4 -","- C76 H48 N16 -","4","1","","Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores","Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.","Physical chemistry chemical physics : PCCP","2018","20","2","1142","1149","10.1039/c7cp05135b","","","1.54178","CuKα","","0.0696","0.0626","","","0.1362","0.142","","","","","","1.127","","","","has coordinates,has disorder","230920","2020-10-21","18:00:00",""
"7229632","7.917","0.003","8.777","0.004","16.892","0.007","92.79","0.02","102.2","0.02","107.3","0.02","1087.5","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H24 N4 -","- C25 H24 N4 -","- C50 H48 N8 -","2","1","","Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores","Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.","Physical chemistry chemical physics : PCCP","2018","20","2","1142","1149","10.1039/c7cp05135b","","","0.71073","MoKα","","0.2608","0.0827","","","0.2271","0.2955","","","","","","0.991","","","","has coordinates","230920","2020-10-21","18:00:00",""
"7229633","8.7842","0.0007","24.486","0.002","8.1096","0.0008","90","","110.652","0.003","90","","1632.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N4 -","- C21 H16 N4 -","- C84 H64 N16 -","4","1","","Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores","Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.","Physical chemistry chemical physics : PCCP","2018","20","2","1142","1149","10.1039/c7cp05135b","","","0.71073","MoKα","","0.13","0.0565","","","0.1194","0.1492","","","","","","1.025","","","","has coordinates","230920","2020-10-21","18:00:00",""
"7229634","7.7023","0.0013","8.911","0.0015","20.022","0.004","77.669","0.009","84.775","0.008","73.953","0.007","1289.4","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H32 N4 -","- C29 H32 N4 -","- C58 H64 N8 -","2","1","","Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores","Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.","Physical chemistry chemical physics : PCCP","2018","20","2","1142","1149","10.1039/c7cp05135b","","","0.71073","MoKα","","0.1773","0.0644","","","0.1438","0.1812","","","","","","1.02","","","","has coordinates","230920","2020-10-21","18:00:00",""
"7229635","25.4312","0.00012","25.4312","0.00012","6.06772","0.00003","90","","90","","90","","3924.27","0.03","293","","293","","","","","","","","","4","P 42/n :2","-P 4bc","86","C12 H22 N4 O2, C6 H6 O2","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C144 H224 N32 O32 -","8","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","2.7267","9.52","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229636","29.624","0.0017","6.0611","0.0002","8.6488","0.0003","90","","101.974","0.004","90","","1519.14","0.12","333","","333","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","powder diffraction","","1.5418","CuKα","","","","","","","","","0.039","10.589","","","","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229637","16.185","0.014","29.012","0.018","6.093","0.004","90","","90","","90","","2861","4","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C96 H176 N32 O16 -","8","0.5","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.095","0.0695","","","0.1901","0.2027","","","","","","1.137","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229638","6.0552","0.0003","14.4565","0.0008","15.8765","0.0009","90","","97.773","0.002","90","","1377.01","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N?-bis(2-(dimethylamino)ethyl)squaramide","","- C12 H22 N4 O2 -","- C12 H22 N4 O2 -","- C48 H88 N16 O8 -","4","1","","Prohens, Rafel; Portell, Anna; Vallcorba, Oriol; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring","CrystEngComm","2018","20","2","237","","10.1039/C7CE01945A","","","0.71073","MoKα","","0.0531","0.0445","","","0.1136","0.1215","","","","","","1.076","","","","has coordinates","229002","2020-10-21","18:00:00",""
"7229639","7.0282","0.0006","9.9007","0.0008","17.2379","0.0015","90","","90","","90","","1199.48","0.18","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0675","0.0698","","","","","","1.03","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229640","6.0781","0.0003","10.8821","0.0006","17.8535","0.001","90","","90","","90","","1180.87","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0229","0.0228","","","0.0595","0.0596","","","","","","1.072","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229641","6.1053","0.0004","10.9507","0.0007","18.1001","0.0011","90","","90","","90","","1210.12","0.13","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0444","0.0369","","","0.0887","0.1008","","","","","","1.165","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229642","9.7371","0.0002","9.7371","0.0002","22.4924","0.0005","90","","90","","120","","1846.82","0.07","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","potassium manganese(II) oxalatophosphite","","- C2 H6 K2 Mn2 O12 P2 -","- C2 H6 K2 Mn2 O12 P2 -","- C12 H36 K12 Mn12 O72 P12 -","6","0.5","","Orive, Joseba; Sivasamy, Ramesh; Fernández de Luis, Roberto; Mosquera, Edgar; Arriortua, María I.","K2MnII2(H2O)2C2O4(HPO3)2: a new 2D manganese(ii) oxalatophosphite with double-layered honeycomb sheets stabilized by potassium ions","CrystEngComm","2018","20","3","301","","10.1039/C7CE01637A","","x-ray","0.71073","MoKα","","0.0259","0.0241","","","0.0529","0.054","","","","","","1.053","","","","has coordinates","229160","2020-10-21","18:00:00",""
"7229643","43.386","0.006","4.9901","0.0007","15.449","0.002","90","","97.972","0.004","90","","3312.4","0.8","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 N2 -","- C43 H46 N2 -","- C172 H184 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1702","0.0678","","","0.1204","0.1532","","","","","","1.005","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229644","16.811","0.002","16.372","0.002","15.924","0.002","90","","113.537","0.002","90","","4018.1","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Cu N2 -","- C43 H48 Cl4 Cu N2 -","- C172 H192 Cl16 Cu4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.1173","0.0916","","","0.2332","0.2536","","","","","","1.057","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229645","16.826","0.016","16.442","0.016","15.963","0.015","90","","112.175","0.011","90","","4090","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cl4 Co N2 -","- C43 H48 Cl4 Co N2 -","- C172 H192 Cl16 Co4 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0686","0.0478","","","0.1236","0.1355","","","","","","1.038","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229646","16.92","0.003","16.352","0.003","16.032","0.003","90","","113.205","0.002","90","","4076.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Cd Cl4 N2 -","- C43 H48 Cd Cl4 N2 -","- C172 H192 Cd4 Cl16 N8 -","4","0.5","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71073","MoKα","","0.0704","0.0536","","","0.1363","0.1457","","","","","","1.058","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229647","11.3233","0.0012","11.3295","0.0011","16.0792","0.0016","92.539","0.003","95.904","0.003","96.359","0.003","2036","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 Cl2 N2 O2 -","- C45 H48 Cl2 N2 O2 -","- C90 H96 Cl4 N4 O4 -","2","1","","Duan, Wen-Long; Wang, Hao-Cheng; Martí-Rujas, Javier; Guo, Fang","Fluorescence-based detection of nitroaromatics using a luminescent second sphere adduct self-assembled by charge-assisted hydrogen bonds","CrystEngComm","2018","20","3","323","","10.1039/C7CE01743J","","","0.71076","MoKα","","0.1693","0.1368","","","0.4093","0.4515","","","","","","1.97","","","","has coordinates","229163","2020-10-21","18:00:00",""
"7229648","7.3663","0.0012","5.1555","0.0008","10.1436","0.0013","90","","112.329","0.009","90","","356.34","0.1","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Adipic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi","An organoferroelasticity driven by molecular conformational change.","Physical chemistry chemical physics : PCCP","2018","20","7","4631","4635","10.1039/c7cp07206f","","","0.71073","MoKα","","0.0997","0.0527","","","0.1262","0.1445","","","","","","1.031","","","","has coordinates","230934","2020-10-21","18:00:00",""
"7229649","7.3693","0.0014","5.1566","0.001","10.1453","0.0016","90","","112.354","0.011","90","","356.56","0.12","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Adipic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Takamizawa, Satoshi","An organoferroelasticity driven by molecular conformational change.","Physical chemistry chemical physics : PCCP","2018","20","7","4631","4635","10.1039/c7cp07206f","","","0.71073","MoKα","","0.11","0.0547","","","0.1258","0.1488","","","","","","1.035","","","","has coordinates","230934","2020-10-21","18:00:00",""
"7229660","5.7537","0.0006","9.6831","0.0011","20.806","0.002","90","","90","","90","","1159.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C52 H52 N4 O4 Se4 -","4","1","","Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel","A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material.","CrystEngComm","2018","20","1","12","16","10.1039/c7ce01925d","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.03","0.0306","","","","1.56","1.56","1.52","","","","has coordinates","228932","2020-10-21","18:00:00",""
"7229662","11.5785","0.0004","10.1983","0.0004","6.3875","0.0002","90","","90","","90","","754.24","0.05","305","0.1","305","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0487","0.036","","","0.1079","0.1114","","","","","","1.098","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229663","11.2102","0.0003","10.0001","0.0003","6.33101","0.00016","90","","90","","90","","709.73","0.03","85","0.5","85","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0144","0.0122","","","0.0314","0.0318","","","","","","1.148","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229664","10.618","0.003","9.5461","0.0003","5.9958","0.0002","90","","90","","90","","607.74","0.17","295","2","295","2","","","3190000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0251","0.0201","","","0.0566","0.0601","","","","","","1.137","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229665","10.502","0.003","9.4708","0.0003","5.93353","0.00019","90","","90","","90","","590.16","0.17","295","2","295","2","","","4020000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.024","0.019","","","0.0406","0.0434","","","","","","1.213","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229666","10.864","0.016","9.7573","0.0012","6.1183","0.0007","90","","90","","90","","648.6","1","295","2","295","2","","","1600000","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.1526","0.0706","","","0.161","0.2183","","","","","","1.048","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229667","11.5358","0.0004","10.1791","0.0003","6.4013","0.0002","90","","90","","90","","751.67","0.04","293","0.1","293","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0373","0.0286","","","0.0889","0.0911","","","","","","1.121","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229668","11.2254","0.0002","10.0086","0.0002","6.33713","0.00014","90","","90","","90","","711.98","0.02","100","0.1","100","0.1","","","","","","","","2","P n m a","-P 2ac 2n","62","","Hexachloroethane","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Loose crystals engineered by mismatched halogen bonds in hexachloroethane","CrystEngComm","2018","20","3","328","","10.1039/C7CE01980G","","","0.71073","MoKα","","0.0155","0.0128","","","0.0331","0.0442","","","","","","1.397","","","","has coordinates","229164","2020-10-21","18:00:00",""
"7229669","11.651","0.004","11.814","0.003","23.05","0.007","90","","101.391","0.004","90","","3110.2","1.6","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 N O2 P2 -","- C39 H31 N O2 P2 -","- C156 H124 N4 O8 P8 -","4","1","","Wen, Li-Rong; Sun, Yong-Xu; Zhang, Jin-Wei; Guo, Wei-Si; Li, Ming","Catalyst- and solvent-free bisphosphinylation of isothiocyanates: a practical method for the synthesis of bisphosphinoylaminomethanes","Green Chemistry","2018","20","1","125","","10.1039/C7GC03101G","","","0.71073","MoKα","","0.0812","0.0718","","","0.1217","0.1258","","","","","","1.23","","","","has coordinates","230090","2020-10-21","18:00:00",""
"7229682","9.1366","0.0003","9.1366","0.0003","14.4247","0.0011","90","","90","","120","","1042.81","0.09","295","2","295","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mn N6 -","- C6 H24 Ag2 I4 Mn N6 -","- C12 H48 Ag4 I8 Mn2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0186","0.0181","","","0.0386","0.0388","","","","","","1.199","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229683","9.0744","0.0008","9.0744","0.0008","14.453","0.002","90","","90","","120","","1030.68","0.19","273","2","273","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 I4 Mg N6 -","- C6 H24 Ag2 I4 Mg N6 -","- C12 H48 Ag4 I8 Mg2 N12 -","2","0.166667","","Chen, Xin; Yao, Zhi-Yuan; Xue, Chen; Yang, Zhu-Xi; Liu, Jian-Lan; Ren, Xiao-Ming","Novel isomorphism of two hexagonal non-centrosymmetric hybrid crystals of M(en)3Ag2I4 (M = transition metal Mn2+ or main-group metal Mg2+; en = ethylenediamine)","CrystEngComm","2018","20","3","356","","10.1039/C7CE02005H","","","0.71073","MoKα","","0.0176","0.0174","","","0.0342","0.0343","","","","","","1.171","","","","has coordinates","229159","2020-10-21","18:00:00",""
"7229684","8.8986","0.0017","7.9933","0.0015","14.175","0.003","90","","97.628","0.003","90","","999.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H8 N2 O5 -","- C10 H8 N2 O5 -","- C40 H32 N8 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0572","0.0445","","","0.1081","0.1163","","","","","","1.052","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229685","3.671","0.003","7.594","0.005","13.772","0.01","95.723","0.008","93.218","0.008","97.153","0.008","378.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O3 -","- C8 H7 N2 O3 -","- C16 H14 N4 O6 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0506","0.0424","","","0.1158","0.1224","","","","","","1.076","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229686","17.184","0.015","7.328","0.005","13.045","0.009","90","","111.257","0.01","90","","1531","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-triamino-1,3,5-triazin-1-ium 2-(4-cyanopyridin-1-ium-1-yl)fumarate hydrate","","- C13 H14 N8 O5 -","- C13 H14 N8 O5 -","- C52 H56 N32 O20 -","4","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1228","0.056","","","0.1285","0.1593","","","","","","1.055","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229687","7.2047","0.0011","7.5455","0.0011","10.8058","0.0016","91.8","0.002","100.509","0.002","115.757","0.002","516.12","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(Z)-4-carbamoyl-1-(3-carboxy-1,1-dihydroxyprop-2-en-1-ide-2-yl) pyridin-1-ium","","- C10 H10 N2 O6 -","- C10 H10 N2 O6 -","- C20 H20 N4 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0342","0.0317","","","0.0854","0.0875","","","","","","1.048","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229688","5.7312","0.0005","12.3326","0.001","12.8974","0.0011","71.53","0.002","86.574","0.003","89.673","0.003","863.01","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(3-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H18 N8 O7 -","- C13 H18 N8 O7 -","- C26 H36 N16 O14 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.1008","0.0719","","","0.1331","0.1448","","","","","","1.103","","","","has coordinates,has disorder","228933","2020-10-21","18:00:00",""
"7229689","8.6886","0.0003","8.9638","0.0003","11.2137","0.0004","94.473","0.002","103.931","0.002","106.657","0.001","801.88","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-triazine-2,4,6-triamine (Z)-2-(4-carbamoylpyridin-1-ium-1-yl) -1,1-dihydroxybut-2-en-1-ideoate dihydrate","","- C13 H16 N8 O6 -","- C13 H16 N8 O6 -","- C26 H32 N16 O12 -","2","1","","Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A.","Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions","CrystEngComm","2018","20","1","25","","10.1039/C7CE01953J","","","0.71073","MoKα","","0.0567","0.0452","","","0.0996","0.1066","","","","","","1.07","","","","has coordinates","228933","2020-10-21","18:00:00",""
"7229690","11.4209","0.0002","20.5581","0.0004","9.97928","0.00018","90","","91.597","0.0011","90","","2342.15","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17 F3 N5 O4 S2 -","- C21.5 H17 F3 N5 O4 S2 -","- C86 H68 F12 N20 O16 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0929","0.0627","","","0.1493","0.1669","","","","","","0.892","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229691","11.2994","0.0002","20.5599","0.0004","10.11464","0.00018","90","","92.3835","0.0008","90","","2347.74","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0423","0.0376","","","0.0971","0.1019","","","","","","1.092","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229692","11.2642","0.0002","20.5587","0.0004","10.11845","0.00018","90","","91.9094","0.0007","90","","2341.9","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H18 F3 N5 O3.5 S2 -","- C21.5 H18 F3 N5 O3.5 S2 -","- C86 H72 F12 N20 O14 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0467","0.0415","","","0.1034","0.1075","","","","","","1.084","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229693","11.24851","0.00018","20.6292","0.0004","10.0577","0.0002","90","","91.7969","0.0009","90","","2332.72","0.07","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C21 H16.5 Cl0.5 F3 N5 O3 S2 -","- C84 H66 Cl2 F12 N20 O12 S8 -","4","1","","Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M.","Cocrystal structure design for CH5134731 based on isomorphism","CrystEngComm","2018","20","3","362","","10.1039/C7CE01878A","","","1.54187","CuKα","","0.0738","0.0478","","","0.1352","0.1917","","","","","","1.068","","","","has coordinates,has disorder","229161","2020-10-21","18:00:00",""
"7229694","9.126","0.002","10.606","0.001","25.328","0.003","90","","90","","90","","2451.5","0.7","160","2","160","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0386","0.0383","","","0.1024","0.1028","","","","","","1.06","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229695","9.147","0.002","10.64","0.001","25.365","0.002","90","","90","","90","","2468.6","0.6","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0419","0.0416","","","0.1081","0.1085","","","","","","1.065","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229696","9.158","0.002","10.658","0.001","25.383","0.002","90","","90","","90","","2477.5","0.6","220","2","220","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0431","0.0426","","","0.1118","0.1124","","","","","","1.099","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229697","9.116","0.002","10.59","0.001","25.311","0.003","90","","90","","90","","2443.5","0.7","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0387","0.0385","","","0.101","0.1011","","","","","","1.083","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229698","9.203","0.002","10.737","0.001","25.458","0.002","90","","90","","90","","2515.6","0.6","300","2","300","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0445","0.0436","","","0.1192","0.1207","","","","","","1.025","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229699","9.107","0.002","10.575","0.001","25.296","0.002","90","","90","","90","","2436.2","0.6","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.035","0.0348","","","0.0892","0.0894","","","","","","1.061","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229700","9.136","0.002","10.622","0.001","25.346","0.003","90","","90","","90","","2459.6","0.7","180","2","180","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0397","0.0394","","","0.1034","0.1037","","","","","","1.071","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229701","9.179","0.002","10.697","0.001","25.42","0.002","90","","90","","90","","2495.9","0.6","260","2","260","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0428","0.0422","","","0.1099","0.1106","","","","","","1.071","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229702","9.168","0.002","10.677","0.001","25.402","0.001","90","","90","","90","","2486.5","0.6","240","2","240","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0413","0.0406","","","0.1062","0.1069","","","","","","1.096","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229703","9.191","0.004","10.716","0.003","25.44","0.007","90","","90","","90","","2505.6","1.5","280","2","280","2","","","","","","","","4","P b c n","-P 2n 2ab","60","4-hydroxycyanobenzene","","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Mohanraj, J.; Capria, E.; Benevoli, L.; Perucchi, A.; Demitri, N.; Fraleoni-Morgera, A","XRD- and infrared-probed anisotropic thermal expansion properties of an organic semiconducting single crystal.","Physical chemistry chemical physics : PCCP","2018","20","3","1984","1992","10.1039/c7cp05209j","","","0.8266","Synchrotron","","0.0507","0.0481","","","0.1249","0.1305","","","","","","1.079","","","","has coordinates","230949","2020-10-21","18:00:00",""
"7229705","9.8398","0.0003","18.2197","0.0005","10.8932","0.0003","90","","100.468","0.003","90","","1920.41","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","EtO-DATPA","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C96 H88 N4 O8 -","2","0.5","","Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil","Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.","Physical chemistry chemical physics : PCCP","2018","20","2","1252","1260","10.1039/c7cp07682g","","x-ray","0.71073","MoKα","","0.054","0.0475","","","0.1174","0.1211","","","","","","1.08","","","","has coordinates","230922","2020-10-21","18:00:00",""
"7229706","12.051","0.0004","10.2594","0.0003","17.3214","0.0005","90","","103.75","0.003","90","","2080.18","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","nPrO-DATPA","","- C52 H52 N2 O4 -","- C52 H52 N2 O4 -","- C104 H104 N4 O8 -","2","0.5","","Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil","Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.","Physical chemistry chemical physics : PCCP","2018","20","2","1252","1260","10.1039/c7cp07682g","","x-ray","0.71073","MoKα","","0.0578","0.0405","","","0.0943","0.0994","","","","","","1.051","","","","has coordinates","230922","2020-10-21","18:00:00",""
"7229707","11.82431","0.00007","13.11889","0.00007","14.97854","0.00009","90","","93.5009","0.0005","90","","2319.16","0.02","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","BuO-DATPA","","- C56 H60 N2 O4 -","- C56 H60 N2 O4 -","- C112 H120 N4 O8 -","2","0.5","","Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil","Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.","Physical chemistry chemical physics : PCCP","2018","20","2","1252","1260","10.1039/c7cp07682g","","x-ray","1.54184","CuKα","","0.0598","0.0578","","","0.1536","0.1559","","","","","","1.028","","","","has coordinates,has disorder","230922","2020-10-21","18:00:00",""
"7229708","12.4603","0.0002","14.8711","0.0004","24.3863","0.0006","100.569","0.002","90.6323","0.0017","94.7035","0.0018","4425.55","0.18","120","","120","","","","","","","","","4","P -1","-P 1","2","","iPrO-DATPA","","- C52 H52 N2 O4 -","- C52 H52 N2 O4 -","- C208 H208 N8 O16 -","4","2","","Fuentes Pineda, Rosinda; Troughton, Joel; Planells, Miquel; Sanchez-Molina Santos, Irene; Muhith, Farmin; Nichol, Gary S.; Haque, Saif; Watson, Trystan; Robertson, Neil","Effect of alkyl chain length on the properties of triphenylamine-based hole transport materials and their performance in perovskite solar cells.","Physical chemistry chemical physics : PCCP","2018","20","2","1252","1260","10.1039/c7cp07682g","","x-ray","0.71073","MoKα","","0.0996","0.0783","","","0.192","0.2062","","","","","","1.059","","","","has coordinates","230922","2020-10-21","18:00:00",""
"7229722","11.8378","0.0003","13.0103","0.0003","16.5916","0.0003","67.729","0.0019","71.634","0.002","78.1997","0.0019","2233.7","0.09","116.95","0.1","116.95","0.1","","","","","","","no","5","P 1","P 1","1","no","salt of titanyl phthalocyanine with tetrapentylammonium cations","","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","- C104 H120 N18 O2 Ti2 -","1","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.045","0.0379","","","0.092","0.0963","","","","","","1.041","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229723","13.4984","0.0003","24.7177","0.0005","13.8468","0.0003","90","","98.086","0.002","90","","4574.04","0.17","150","2","150","2","","","","","","","no","5","P 1 21/n 1","-P 2yn","14","no","salt of titanyl phthalocyanine with N-mehyldiazabicyclooctanium cation and neutral trypticene molecule","","- C59 H45 N10 O Ti -","- C59 H45 N10 O Ti -","- C236 H180 N40 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1328","0.0455","","","0.0728","0.0814","","","","","","0.733","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229724","22.92","0.0006","11.7027","0.0003","21.2051","0.0006","90","","95.783","0.003","90","","5658.8","0.3","109.95","0.1","109.95","0.1","","","","","","","no","6","C 1 c 1","C -2yc","9","no","salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate","","- C62 H72 Cl2 N9 O V -","- C62 H72 Cl2 N9 O V -","- C248 H288 Cl8 N36 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0521","0.0406","","","0.0835","0.0898","","","","","","1.026","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229725","19.5955","0.0011","17.1171","0.001","19.1812","0.0013","90","","99.444","0.006","90","","6346.5","0.7","150","0.14","150","0.14","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","no","salt of titanyl phthalocyanine with N-methyldiazabicyclooctanium cation","","- C39 H31 N10 O Ti -","- C39 H30.9997 N10 O Ti -","- C312 H247.998 N80 O8 Ti8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.1149","0.0613","","","0.1229","0.1467","","","","","","1.011","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229726","11.8287","0.0004","13.0419","0.0004","16.6492","0.0005","67.7","0.003","71.527","0.003","78.147","0.002","2243.27","0.14","116.7","0.6","116.7","0.6","","","","","","","no","5","P 1","P 1","1","no","salt of vanadyl phthalocyanine with tetrapentylammonium cation","","- C52 H60 N9 O V -","- C52 H60 N9 O V -","- C104 H120 N18 O2 V2 -","2","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0586","0.0428","","","0.0927","0.1019","","","","","","1.027","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229727","12.5787","0.0007","13.0731","0.0005","25.4452","0.0017","90","","91.733","0.005","90","","4182.4","0.4","130","0.14","130","0.14","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of titanyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O Ti -","- C46 H46 I N12 O Ti -","- C184 H184 I4 N48 O4 Ti4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0664","0.0485","","","0.0943","0.1006","","","","","","1.102","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229728","12.5922","0.0003","13.0726","0.0002","25.407","0.0007","90","","91.73","0.002","90","","4180.41","0.17","129.7","0.7","129.7","0.7","","","","","","","no","6","P 1 21/c 1","-P 2ybc","14","no","salt of vanadyl phthalocyanine with two N-methyldiazabicyclooctanium cations and iodine anion","","- C46 H46 I N12 O V -","- C46 H46 I N12 O V -","- C184 H184 I4 N48 O4 V4 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","x-ray","0.71073","MoKα","","0.0491","0.0373","","","0.0788","0.0833","","","","","","1.094","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229729","11.8705","0.0005","31.689","0.002","23.8325","0.0009","90","","90","","90","","8964.9","0.8","293","2","293","","","","","","","","no","5","P c c n","-P 2ab 2ac","56","no","salt of vanadyl phthalocyanine radical anions with di(i_propyl)inidazolium cations","","- C41 H33 N10 O V -","- C41 H33 N10 O V -","- C328 H264 N80 O8 V8 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.1678","0.1294","","","0.3366","0.3624","","","","","","1.04","","","","has coordinates,has disorder","228994","2020-10-21","18:00:00",""
"7229730","23.2181","0.0005","11.4301","0.0002","21.4414","0.0004","90","","96.059","0.002","90","","5658.44","0.19","100","","100","","","","","","","","no","6","P 1 c 1","P -2yc","7","no","salt of titanyl phthalocyanine with tetrahexylammonium cations, o-dichlorobenzene solate","","- C62 H72 Cl2 N9 O Ti -","- C62 H72 Cl2 N9 O Ti -","- C248 H288 Cl8 N36 O4 Ti4 -","4","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties","CrystEngComm","2018","20","4","385","","10.1039/C7CE01918A","","","0.71073","MoKα","","0.0835","0.0544","","","0.1158","0.1282","","","","","","1.026","","","","has coordinates","228994","2020-10-21","18:00:00",""
"7229731","6.2278","0.0006","37.44","0.004","7.3546","0.0006","90","","90","","90","","1714.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C20 H20 O2 S -","- C20 H20 O2 S -","- C80 H80 O8 S4 -","4","0.5","","Nguyen, Thanh Binh; Retailleau, Pascal","Sulfurative self-condensation of ketones and elemental sulfur: a three-component access to thiophenes catalyzed by aniline acid‒base conjugate pairs","Green Chemistry","2018","20","2","387","","10.1039/C7GC03437G","","","1.54187","CuKα","","0.0954","0.0639","","","0.1663","0.2021","","","","","","0.926","","","","has coordinates,has disorder","230099","2020-10-21","18:00:00",""
"7229734","13.485","0.003","16.959","0.003","29.331","0.006","96.95","0.03","101.33","0.03","111.95","0.03","5959","3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","- C64 H24 Ag22 I34 La4 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0662","0.043","","","0.0808","0.1062","","","","","","1.14","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229735","13.4179","0.0016","16.9025","0.0005","29.074","0.005","97.12","0.006","101.305","0.001","112.265","0.006","5839.3","1.3","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H196 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","- C64 H36 Ag22 Ce4 I34 O34 S32 -","1","0.5","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71075","MoKα","","0.0663","0.0406","","","0.0935","0.1072","","","","","","1.077","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229736","12.436","0.003","23.39","0.005","21.007","0.004","90","","99.67","0.03","90","","6024","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 I10 O8 S8 Tb -","- C16 H30 Ag7 I10 O8 S8 Tb -","- C64 H120 Ag28 I40 O32 S32 Tb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0607","0.0403","","","0.0895","0.1097","","","","","","1.15","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229737","17.574","0.003","14.937","0.003","22.48","0.008","90","","122.31","0.02","90","","4987","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 Ag5 I8 O7 S7 Yb -","- C14 H36 Ag5 I8 O7 S7 Yb -","- C56 H144 Ag20 I32 O28 S28 Yb4 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0778","0.0552","","","0.1031","0.1165","","","","","","1.219","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229738","12.328","0.002","23.283","0.004","20.87","0.004","90","","100.055","0.005","90","","5898.4","1.8","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Eu I10 O8 S8 -","- C16 H48 Ag7 Eu I10 O8 S8 -","- C64 H192 Ag28 Eu4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0601","0.0471","","","0.0869","0.1049","","","","","","1.125","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229739","12.426","0.003","23.378","0.005","20.998","0.004","90","","99.61","0.03","90","","6014","2","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Ag7 Dy I10 O8 S8 -","- C16 H48 Ag7 Dy I10 O8 S8 -","- C64 H192 Ag28 Dy4 I40 O32 S32 -","4","1","","Shen, Yali; Zhang, Limei; Sun, Peipei; Liu, Shuzhen; Jiang, Wenqing; Jia, Dingxian","Iodoargentates from clusters to 1D chains and 2D layers induced by solvated lanthanide complex cations: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2018","20","4","520","","10.1039/C7CE01833A","","","0.71073","MoKα","","0.0594","0.0339","","","0.0806","0.0991","","","","","","1.127","","","","has coordinates","228995","2020-10-21","18:00:00",""
"7229740","18.8501","0.0004","14.1221","0.0003","7.4387","0.0002","90","","90","","90","","1980.2","0.08","298","","298","","","","","","","","","7","I m m m","-I 2 2","71","As_made_FER","","","- C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33 -","- C1.75 H1.8994 Al0.16605 N0.34968 Na0.1662 O9 Si4.33395 -","- C14 H15.1952 Al1.3284 N2.79744 Na1.3296 O72 Si34.6716 -","8","0.5","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","'CuKalpha1'","","","","","","","","","0.0228","3.256","","","","","","","has coordinates","229012","2020-10-21","18:00:00",""
"7229741","18.7891","0.0005","14.0936","0.0003","7.4327","0.0002","90","","90","","90","","1968.22","0.09","298","","298","","","","","","","","","6","I m m m","-I 2 2","71","H_FER_Py","zeolite","","- C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67 -","- C0.9378 H1.1875 Al0.3321 N0.1872 O18.562 Si8.6679 -","- C3.7512 H4.75 Al1.3284 N0.7488 O74.248 Si34.6716 -","4","0.25","","Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin","Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite","CrystEngComm","2018","20","6","699","","10.1039/C7CE01967J","powder diffraction","x-ray","1.5406","CuKalpha1","","","","","","","","","0.02529","5.215","","","","","","","has coordinates,has disorder","229012","2020-10-21","18:00:00",""
"7229742","6.1256","0.0012","7.9158","0.0016","9.5663","0.0019","90","","103.29","0.03","90","","451.44","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.037","0.0314","","","0.0728","0.0761","","","","","","1.037","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229743","6.25","0.012","8.164","0.016","9.64","0.02","90","","101.49","0.04","90","","482","1.7","363","2","363","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 Br Cl N O4 -","- C4 H11 Br Cl N O4 -","- C8 H22 Br2 Cl2 N2 O8 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.2346","0.191","","","0.4587","0.4877","","","","","","1.011","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229744","6.0331","0.0012","7.8583","0.0016","9.5127","0.0019","90","","103.67","0.03","90","","438.22","0.16","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.056","0.045","","","0.0996","0.1054","","","","","","1.06","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229745","6.149","0.018","8.012","0.002","9.507","0.003","90","","101.19","0.02","90","","459.5","1.4","368","2","368","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C4 H11 B Br F4 N -","- C4 H11 B Br F4 N -","- C8 H22 B2 Br2 F8 N2 -","2","0.5","","Lu, Si-Qi; Chen, Xiao-Gang; Gao, Ji-Xing; Lu, Yang; Hua, Xiu-Ni; Liao, Wei-Qiang","High-temperature sequential structural transitions with distinct switchable dielectric behaviors in two organic ionic plastic crystals: [C4H11NBr] [ClO4] and [C4H11NBr] [BF4]","CrystEngComm","2018","20","4","454","","10.1039/C7CE01731F","","","0.71073","MoKα","","0.3247","0.2759","","","0.5531","0.5892","","","","","","1.075","","","","has coordinates","228996","2020-10-21","18:00:00",""
"7229746","21.813","0.004","23.683","0.005","28.76","0.006","90","","100.81","0.03","90","","14594","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58.5 H55 Cu Dy F30 N4 O16 -","- C55 H47 Cu Dy F30 N4 O16 -","- C440 H376 Cu8 Dy8 F240 N32 O128 -","8","2","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.059","0.0457","","","0.1448","0.1606","","","","","","1.058","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229747","19.99","0.004","20.024","0.003","21.706","0.004","91.033","0.001","107.294","0.002","114.857","0.002","7424","2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C115 H97 Cu Dy3 F66 N8 O35 -","- C115 H95 Cu Dy3 F66 N8 O34 -","- C230 H190 Cu2 Dy6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0686","0.0539","","","0.127","0.142","","","","","","0.996","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229748","19.935","0.007","19.977","0.007","21.785","0.007","107.398","0.005","90.257","0.005","114.428","0.005","7455","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 Ho3 N8 O34 -","- C119 H95 Cu F66 Ho3 N8 O34 -","- C238 H190 Cu2 F132 Ho6 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0682","0.0396","","","0.0855","0.1163","","","","","","1.01","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229749","20.257","0.004","43.633","0.008","20.173","0.004","90","","113.798","0.004","90","","16314","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Pr3 -","- C135 H103 Cu F66 N8 O34 Pr3 -","- C540 H412 Cu4 F264 N32 O136 Pr12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.073","0.058","","","0.1517","0.1638","","","","","","0.982","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229750","20.18","0.003","43.634","0.008","20.077","0.003","90","","113.362","0.003","90","","16229","5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu Eu3 F66 N8 O34 -","- C135 H103 Cu Eu3 F66 N8 O34 -","- C540 H412 Cu4 Eu12 F264 N32 O136 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0539","0.0427","","","0.0938","0.0995","","","","","","1.04","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229751","20.197","0.003","43.511","0.006","20.091","0.003","90","","113.503","0.003","90","","16191","4","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C135 H103 Cu F66 N8 O34 Sm3 -","- C135 H103 Cu F66 N8 O34 Sm3 -","- C540 H412 Cu4 F264 N32 O136 Sm12 -","4","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0653","0.053","","","0.1455","0.155","","","","","","0.997","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229752","19.914","0.004","19.939","0.004","21.671","0.004","90.024","0.001","107.316","0.002","114.248","0.003","7415","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu F66 N8 O34 Yb3 -","- C119 H95 Cu F66 N8 O34 Yb3 -","- C238 H190 Cu2 F132 N16 O68 Yb6 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0561","0.0441","","","0.0883","0.0941","","","","","","1.003","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229753","19.923","0.004","19.96","0.004","21.718","0.004","90.187","0.002","107.28","0.002","114.422","0.002","7429","3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H95 Cu Er3 F66 N8 O34 -","- C119 H95 Cu Er3 F66 N8 O34 -","- C238 H190 Cu2 Er6 F132 N16 O68 -","2","1","","Zhu, Mei; Jia, Lingjie; Li, Yang; Li, Yungai; Zhang, Li; Zhang, Wei; Lü, Yaohong","Nitronyl nitroxide bridged 3d‒4f hetero-tri-spin chains: synthesis strategy, crystal structure and magnetic properties","CrystEngComm","2018","20","4","420","","10.1039/C7CE01962A","","","0.71073","MoKα","","0.0752","0.0601","","","0.1574","0.1702","","","","","","0.981","","","","has coordinates","228993","2020-10-21","18:00:00",""
"7229754","14.0571","0.0005","13.268","0.0005","15.3305","0.0005","90","","104.964","0.001","90","","2762.32","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1","","- C34 H29 N3 O3 -","- C34 H29 N3 O3 -","- C136 H116 N12 O12 -","4","1","","Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas","Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate.","Physical chemistry chemical physics : PCCP","2018","20","9","6060","6072","10.1039/c7cp07274k","","","0.71073","MoKα","","0.1039","0.0784","","","0.2266","0.2532","","","","","","1.062","","","","has coordinates","230935","2020-10-21","18:00:00",""
"7229755","9.8322","0.0006","11.6973","0.0007","12.975","0.0007","113.245","0.002","93.22","0.002","93.119","0.002","1364.18","0.14","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","3","","- C34 H29 N3 O2 -","- C34 H29 N3 O2 -","- C68 H58 N6 O4 -","2","1","","Bhattacharjee, Indranil; Ghosh, Nita; Raina, Abhinav; Dasgupta, Jyotishman; Ray, Debdas","Conformational switching via an intramolecular H-bond modulates the fluorescence lifetime in a novel coumarin-imidazole conjugate.","Physical chemistry chemical physics : PCCP","2018","20","9","6060","6072","10.1039/c7cp07274k","","","0.71073","MoKα","","0.1252","0.0565","","","0.1139","0.1332","","","","","","1.218","","","","has coordinates","230935","2020-10-21","18:00:00",""
"7229756","8.4013","0.0017","16.424","0.003","13.536","0.003","90","","104.34","0.03","90","","1809.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H61 Cl N2 O7 S -","- C33 H61 Cl N2 O7 S -","- C66 H122 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0647","0.048","","","0.0832","0.0903","","","","","","1.018","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229757","8.3555","0.0017","16.471","0.003","13.319","0.003","90","","105.13","0.03","90","","1769.5","0.7","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H59 Cl N2 O7 S -","- C32 H59 Cl N2 O7 S -","- C64 H118 Cl2 N4 O14 S2 -","2","1","","Ouyang, Jinbo; Na, Bing; Zhou, Limin; Xiao, Saijin; Xiong, Guoxuan; Jin, Tianxiang","Crystal structures and phase transformation of two novel solvates of valnemulin hydrochloride","CrystEngComm","2018","20","5","563","","10.1039/C7CE01524K","","","0.71073","MoKα","","0.0595","0.0436","","","0.0926","0.1005","","","","","","0.964","","","","has coordinates","228962","2020-10-21","18:00:00",""
"7229758","7.722","0.003","10.406","0.004","10.43","0.004","104.916","0.004","103.692","0.004","100.579","0.004","759.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu N O8 -","- C14 H16 Cu N O8 -","- C28 H32 Cu2 N2 O16 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.068","0.0499","","","0.1287","0.1385","","","","","","1.101","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229759","25.368","0.005","16.9","0.003","14.759","0.004","90","","96.855","0.003","90","","6282","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H45.01 Cu5 N4 O24 -","- C56 H45.014 Cu5 N4 O24 -","- C224 H180.056 Cu20 N16 O96 -","4","0.5","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.195","0.0777","","","0.1918","0.2358","","","","","","0.943","","","","has coordinates,has disorder","228955","2020-10-21","18:00:00",""
"7229760","7.7303","0.0009","10.2721","0.0012","19.828","0.002","100.406","0.001","93.79","0.001","99.123","0.001","1521.7","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cu2 N2 O16 -","- C28 H32 Cu2 N2 O16 -","- C56 H64 Cu4 N4 O32 -","2","1","","Zhang, Xiao-Feng; Yan, Tong; Wang, Tao; Feng, Jing; Wang, Quan; Wang, Xiao; Du, Lin; Zhao, Qi-Hua","Single-crystal-to-single-crystal (SCSC) transformation and dissolution‒recrystallization structural transformation (DRST) among three new copper(ii) coordination polymers","CrystEngComm","2018","20","5","570","","10.1039/C7CE01919J","","","0.71073","MoKα","","0.0578","0.0399","","","0.1037","0.1113","","","","","","1.044","","","","has coordinates","228955","2020-10-21","18:00:00",""
"7229763","5.0492","0.0004","10.1001","0.0008","35.494","0.003","90","","90","","90","","1810.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,6aR,11aS)-methyl 7-methyl-8-oxo-4-(1-phenylethyl) 1H,4-diazabicyclo[5.4.0]undec- 5,9-dione carboxylate","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Peters, Byron K.; Razuwika, Rufaro; Samipillai, Marivel; Arvidsson, Per I.; Kruger, Hendrik G.; Govender, Thavendran; Naicker, Tricia","An unexpected re-arrangement of the antibiotic carbapenem core to new 1,4-diazepin-5-one scaffolds","RSC Advances","2018","8","1","190","","10.1039/C7RA12688C","","","0.71073","MoKα","","0.0427","0.0405","","","0.1097","0.1116","","","","","","1.08","","","","has coordinates","204390","2020-10-21","18:00:00",""
"7229764","9.7907","0.0003","10.0612","0.0003","10.7006","0.0003","87.711","0.001","85.038","0.001","61.834","0.001","925.77","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C44 H40 N4 O4 S2 -","2","1","","Huang, Ying; Yi, Weiyin; Sun, Qihui; Zhang, Lirong; Yi, Fengping","A new and facile approach to 1,2-dihydroisoquinolin-3(4H)-imines by the Cu(i)-catalyzed reaction of 2-ethynylbenzyl methanesulfonates, sulfonyl azides and amines","RSC Advances","2018","8","1","74","","10.1039/C7RA12412K","","","1.54178","CuKα","","0.0308","0.0297","","","0.0824","0.0832","","","","","","1.021","","","","has coordinates","204391","2020-10-21","18:00:00",""
"7229765","12.5871","0.0003","15.7676","0.0003","17.0644","0.0004","90","","102.021","0.002","90","","3312.48","0.13","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Eu N9 O9 -","- C34 H24 Eu N9 O9 -","- C136 H96 Eu4 N36 O36 -","4","0.5","","Polzin, P.; V Eliani, I; Ströh, J; Braun, M.; Ruser, N.; Heidenreich, N.; Rönfeldt, P; Bertram, F.; Näther, C; Wöhlbrandt, S; Suta, M.; Terraschke, H.","From ligand exchange to reaction intermediates: what does really happen during the synthesis of emissive complexes?","Physical chemistry chemical physics : PCCP","2018","20","11","7428","7437","10.1039/c7cp07142f","","","0.71073","MoKα","","0.0345","0.0319","","","0.0851","0.0864","","","","","","1.083","","","","has coordinates,has disorder","230945","2020-10-21","18:00:00",""
"7229766","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.0386","0.0316","","","0.0831","0.0894","","","","","","1.066","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229767","24.934","0.0004","28.5658","0.0004","3.7778","0.0001","90","","90","","90","","2690.77","0.09","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","quinoline-8-ol","8-hydroxyquinoline","","- C9 H7 N O -","- C9 H7 N O -","- C144 H112 N16 O16 -","16","1","","Fedyanin, Ivan V.; Karnoukhova, Valentina A.; Lyssenko, Konstantin A.","Conformational analysis of a supramolecular synthon: a case study of 8-hydroxyquinoline","CrystEngComm","2018","20","5","652","","10.1039/C7CE01928A","","","0.71073","MoKα","","0.02","0.014","","","","0.012","","","","","","1.285","","","","has coordinates","228956","2020-10-21","18:00:00",""
"7229768","7.9966","0.0005","9.5422","0.0007","15.2152","0.0008","90","","97.623","0.006","90","","1150.74","0.13","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br2 N2 Ni O4 -","- C20 H22 Br2 N2 Ni O4 -","- C40 H44 Br4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0812","0.0463","","","0.1076","0.1204","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229769","6.1501","0.0004","8.7162","0.0007","10.796","0.0008","100.733","0.006","97.813","0.006","101.437","0.007","548.26","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","x-ray","0.71073","MoKα","","0.0439","0.033","","","0.077","0.0818","","","","","","1.052","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229770","6.3212","0.0005","8.9502","0.0007","10.0197","0.0008","100.977","0.007","100.919","0.007","99.073","0.006","535.27","0.08","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","- C18 H20 Cl2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0498","0.0388","","","0.0813","0.0859","","","","","","1.061","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229771","6.329","0.0005","8.9473","0.0006","10.2742","0.0007","100.396","0.006","101.149","0.007","100.044","0.006","548.09","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","- C18 H20 Br2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.049","0.0354","","","0.0807","0.0864","","","","","","1.032","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229772","9.1894","0.0002","9.987","0.0003","13.4819","0.0005","73.422","0.003","71.424","0.003","85.191","0.002","1124.05","0.06","296","3","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 N2 Ni O4 -","- C20 H22 Cl2 N2 Ni O4 -","- C40 H44 Cl4 N4 Ni2 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0438","0.0336","","","0.083","0.0882","","","","","","1.041","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229773","8.0225","0.0002","9.6265","0.0002","15.4896","0.0003","90","","96.406","0.002","90","","1188.77","0.05","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 I2 N2 Ni O4 -","- C20 H22 I2 N2 Ni O4 -","- C40 H44 I4 N4 Ni2 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0407","0.0352","","","0.0881","0.0921","","","","","","1.067","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229774","6.349","0.0003","9.2589","0.0005","10.2457","0.0004","102.659","0.005","100.162","0.004","98.163","0.004","568.11","0.05","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","- C18 H20 I2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0349","0.0287","","","0.0623","0.0662","","","","","","1.065","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229775","7.9717","0.0005","9.7058","0.0004","15.4552","0.0005","90","","96.71","0.004","90","","1187.6","0.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Co I2 N2 O4 -","- C20 H22 Co I2 N2 O4 -","- C40 H44 Co2 I4 N4 O8 -","2","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0576","0.0423","","","0.1073","0.1168","","","","","","1.066","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229776","6.3513","0.0009","9.256","0.0011","10.3631","0.0008","102.241","0.008","100.737","0.009","98.708","0.011","573.27","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","- C18 H20 Co I2 N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0467","0.0329","","","0.0765","0.0848","","","","","","1.046","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229777","9.0807","0.0005","10.2369","0.0006","13.0194","0.0008","74.91","0.005","74.027","0.005","86.362","0.005","1123.37","0.12","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Cl2 Co N2 O4 -","- C20 H22 Cl2 Co N2 O4 -","- C40 H44 Cl4 Co2 N4 O8 -","2","1","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0459","0.0341","","","0.0829","0.089","","","","","","1.027","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229778","6.4978","0.0005","8.85","0.0007","10.396","0.0005","100.254","0.005","101.706","0.005","99.895","0.007","562.47","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","- C20 H22 Br2 Co N2 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0468","0.0357","","","0.0794","0.0851","","","","","","1.079","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229779","6.3162","0.0004","8.8584","0.0008","10.1891","0.0005","99.706","0.006","101.645","0.005","100.278","0.007","536.88","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","- C18 H20 Cl2 Co N4 O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0428","0.0364","","","0.0926","0.0977","","","","","","1.075","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229780","6.3344","0.0004","9.028","0.0008","10.1145","0.0007","101.295","0.007","100.541","0.006","99.102","0.007","546.23","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","- C18 H20 Br2 N4 Ni O4 -","1","0.5","","Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana","Testing the limits of halogen bonding in coordination chemistry","CrystEngComm","2018","20","5","539","","10.1039/C7CE01989K","","","0.71073","MoKα","","0.0415","0.0312","","","0.0632","0.0675","","","","","","1.037","","","","has coordinates","228954","2020-10-21","18:00:00",""
"7229781","10.2118","0.0004","10.4135","0.0005","13.6583","0.0006","90","","90","","90","","1452.43","0.11","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.018","0.0161","","","0.0362","0.037","","","","","","1.067","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229782","10.2096","0.0007","10.4063","0.0007","13.6629","0.001","90","","90","","90","","1451.6","0.18","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H9 N Ni O6 -","- C4 H9 N Ni O6 -","- C32 H72 N8 Ni8 O48 -","8","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Screening polymorphism in a Ni(ii) metal‒organic framework: experimental observations, Hirshfeld surface analyses and DFT studies","CrystEngComm","2018","20","6","746","","10.1039/C7CE01991B","","","0.71073","MoKα","","0.026","0.0203","","","0.037","0.0395","","","","","","1.129","","","","has coordinates","229008","2020-10-21","18:00:00",""
"7229783","34.885","0.007","6.497","0.0013","18.207","0.004","90","","94.73","0.03","90","","4112.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N3 O3 -","- C25 H21 N3 O3 -","- C200 H168 N24 O24 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.069","0.0467","","","0.1189","0.1285","","","","","","1.001","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229784","17.341","0.002","9.321","0.002","14.471","0.002","90","","111.962","0.004","90","","2169.3","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N O3 -","- C29 H21 N O3 -","- C116 H84 N4 O12 -","4","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0726","0.0427","","","0.1072","0.1184","","","","","","0.986","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229785","9.728","0.0019","9.748","0.0019","12.153","0.002","103.57","0.03","98.82","0.03","99.79","0.03","1081.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C52 H46 N6 O8 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0581","0.0469","","","0.1364","0.1443","","","","","","1.112","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229786","6.868","0.002","8.175","0.002","18.128","0.004","81.203","0.01","86.414","0.007","86.137","0.01","1002.1","0.4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 N O2 -","- C28 H19 N O2 -","- C56 H38 N2 O4 -","2","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.7","synchrotron","","0.0816","0.0549","","","0.1431","0.1602","","","","","","1.002","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229787","38.228","0.008","7.21","0.0014","16.916","0.003","90","","110.72","0.03","90","","4360.9","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C208 H184 N24 O32 -","8","1","","Hariharan, Palamarneri Sivaraman; Gayathri, Parthasarathy; Kundu, Anu; Karthikeyan, Subramanian; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of tunable, red fluorescent aggregation-enhanced emissive organic fluorophores: stimuli-responsive high contrast off‒on fluorescence switching","CrystEngComm","2018","20","5","643","","10.1039/C7CE01867C","","","0.63","synchrotron","","0.0967","0.0501","","","0.1163","0.1297","","","","","","0.9","","","","has coordinates","228958","2020-10-21","18:00:00",""
"7229788","10.0684","0.0006","3.758","0.0002","20.6855","0.0012","90","","91.012","0.005","90","","782.56","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.0781","0.0666","","","0.1784","0.2","","","","","","1.148","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229789","9.445","0.003","3.9293","0.0014","20.333","0.008","90","","93.987","0.016","90","","752.8","0.5","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1231","0.086","","","0.2242","0.2483","","","","","","1.066","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229790","5.775","0.004","20.795","0.007","6.653","0.003","90","","107.46","0.02","90","","762.2","0.7","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0879","0.0441","","","0.0907","0.116","","","","","","0.902","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229791","6.9111","0.0005","11.5037","0.0009","10.0653","0.0007","90","","104.659","0.008","90","","774.18","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1126","0.0857","","","0.2189","0.2711","","","","","","1.02","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229792","17.286","0.0018","6.1726","0.0008","7.0329","0.0008","90","","92.883","0.01","90","","749.46","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C40 H28 F4 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1004","0.0852","","","0.2345","0.2755","","","","","","1.116","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229793","16.87","0.004","3.7774","0.0007","12.01","0.003","90","","95.317","0.011","90","","762","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.073","0.0505","","","0.1457","0.2039","","","","","","1.093","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229794","4.5664","0.0015","11.438","0.003","14.923","0.005","90","","96.382","0.013","90","","774.6","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.0539","0.0437","","","0.1183","0.1269","","","","","","1.045","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229795","4.621","0.0004","14.858","0.0014","11.0496","0.0009","90","","94.614","0.008","90","","756.19","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1031","0.0727","","","0.1846","0.2237","","","","","","1.063","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229796","15.229","0.016","3.914","0.003","13.287","0.011","90","","102.54","0.04","90","","773.1","1.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C40 H24 F8 N4 -","2","0.5","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.127","0.0911","","","0.2369","0.2914","","","","","","1.069","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229797","35.4","0.02","3.766","0.002","11.682","0.008","90","","99.19","0.03","90","","1537.4","1.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F4 N2 -","- C20 H12 F4 N2 -","- C80 H48 F16 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","","0.71075","MoKα","","0.1659","0.1308","","","0.3671","0.4232","","","","","","1.362","","","","has coordinates","229010","2020-10-21","18:00:00",""
"7229798","7.4234","0.0007","5.6728","0.0005","36.086","0.003","90","","95.003","0.008","90","","1513.8","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 N2 -","- C20 H14 F2 N2 -","- C80 H56 F8 N8 -","4","1","","Dhingra, Shallu; Barman, Dibya Jyoti; Yadav, Hare Ram; Eyyathiyil, Jusaina; Bhowmik, Prasanta; Kaur, Parmeet; Adhikari, Debashis; Roy Choudhury, Angshuman","Structural and computational understanding of weak interactions in “bridge-flipped” isomeric tetrafluoro-bis-benzylideneanilines","CrystEngComm","2018","20","6","716","","10.1039/C7CE01872J","","x-ray","0.71073","MoKα","","0.1574","0.0891","","","0.2245","0.2981","","","","","","1.049","","","","has coordinates,has disorder","229010","2020-10-21","18:00:00",""
"7229799","10.7743","0.0003","13.7731","0.0004","21.4829","0.0006","94.837","0.002","90.373","0.002","95.881","0.002","3159.52","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 Dy2 F12 N2 O12 -","- C64 H49 Dy2 F12 N2 O12 -","- C128 H98 Dy4 F24 N4 O24 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71","MoKα","","0.105","0.0679","","","0.1304","0.1459","","","","","","1.127","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229800","12.3258","0.0002","12.2533","0.0002","23.9816","0.0005","90","","97.764","0.002","90","","3588.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H58 Dy2 N2 O11 -","- C80 H58 Dy2 N2 O11 -","- C160 H116 Dy4 N4 O22 -","2","0.5","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0722","0.0549","","","0.1337","0.1427","","","","","","1.216","","","","has coordinates,has disorder","229009","2020-10-21","18:00:00",""
"7229801","10.9106","0.0003","15.6456","0.0004","21.7835","0.0006","99.568","0.002","101.358","0.002","103.932","0.002","3448.11","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy2 N2 O11 -","- C64 H92 Dy2 N2 O11 -","- C128 H184 Dy4 N4 O22 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0641","0.0421","","","0.0982","0.1117","","","","","","1.068","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229802","14.5365","0.0011","15.8905","0.0011","17.8411","0.001","89.709","0.005","66.703","0.006","63.25","0.007","3304.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H56 Cl4 Dy2 N4 O9 -","- C72 H56 Cl4 Dy2 N4 O9 -","- C144 H112 Cl8 Dy4 N8 O18 -","2","1","","Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei","A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process","CrystEngComm","2018","20","6","777","","10.1039/C7CE01797A","","","0.71073","MoKα","","0.0935","0.055","","","0.1231","0.1526","","","","","","1.077","","","","has coordinates","229009","2020-10-21","18:00:00",""
"7229803","14.686","0.003","16.758","0.003","10.336","0.002","90","","104.78","0.03","90","","2459.6","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Pr -","- C26 H19 N2 O10 Pr -","- C104 H76 N8 O40 Pr4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0479","0.0416","","","0.1058","0.1107","","","","","","1.065","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229804","14.684","0.003","16.513","0.003","10.239","0.002","90","","104.63","0.03","90","","2402.2","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Gd N2 O10 -","- C26 H19 Gd N2 O10 -","- C104 H76 Gd4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0638","0.0512","","","0.1148","0.1226","","","","","","1.099","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229805","14.726","0.003","16.484","0.003","10.208","0.002","90","","104.47","0.03","90","","2399.3","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N2 O10 Tb -","- C26 H19 N2 O10 Tb -","- C104 H76 N8 O40 Tb4 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0573","0.0456","","","0.1081","0.1152","","","","","","1.127","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229806","10.86","0.002","14.23","0.003","20.18","0.004","86.18","0.03","83.88","0.03","78.24","0.03","3032.5","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 N2 O31 Sm4 -","- C54 H48 N2 O31 Sm4 -","- C108 H96 N4 O62 Sm8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0631","0.0466","","","0.1051","0.1173","","","","","","1.069","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229807","6.87","0.0014","13.86","0.003","17.71","0.003","88.64","0.03","79.67","0.03","84.36","0.03","1650.9","0.6","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C68 H56 N4 O34 Sm4 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.088","0.0804","","","0.1872","0.1901","","","","","","1.302","","","","has coordinates,has disorder","228961","2020-10-21","18:00:00",""
"7229808","14.672","0.003","16.543","0.003","10.243","0.002","90","","104.53","0.03","90","","2406.7","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Eu N2 O10 -","- C26 H19 Eu N2 O10 -","- C104 H76 Eu4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0463","0.0429","","","0.1046","0.1073","","","","","","1.042","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229809","10.85","0.002","14.04","0.003","19.95","0.004","86.5","0.03","83.4","0.03","78.89","0.03","2960","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Eu4 N2 O31.5 -","- C54 H49 Eu4 N2 O31.5 -","- C108 H98 Eu8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0536","0.0499","","","0.1212","0.1248","","","","","","1.039","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229810","14.708","0.003","16.437","0.003","10.219","0.002","90","","104.47","0.03","90","","2392.1","0.9","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Dy N2 O10 -","- C26 H19 Dy N2 O10 -","- C104 H76 Dy4 N8 O40 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0569","0.0435","","","0.0954","0.1018","","","","","","1.115","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229811","6.965","0.0014","26.433","0.005","17.879","0.004","90","","97.9","0.03","90","","3260.4","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Tb2 -","- C34 H28 N2 O17 Tb2 -","- C136 H112 N8 O68 Tb8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0434","0.0352","","","0.08","0.0849","","","","","","1.064","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229812","10.84","0.002","14.12","0.003","20.07","0.004","86.59","0.03","83.7","0.03","78.88","0.03","2993.7","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Ho4 N2 O31.5 -","- C54 H49 Ho4 N2 O31.5 -","- C108 H98 Ho8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0439","0.0398","","","0.0994","0.1024","","","","","","1.027","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229813","10.85","0.002","14.18","0.003","20.18","0.004","86.61","0.03","83.77","0.03","78.89","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 Gd4 N2 O31.5 -","- C54 H49 Gd4 N2 O31.5 -","- C108 H98 Gd8 N4 O63 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0483","0.0424","","","0.1064","0.1112","","","","","","1.055","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229814","6.981","0.0014","26.527","0.005","17.919","0.004","90","","97.89","0.03","90","","3286.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Eu2 N2 O17 -","- C34 H28 Eu2 N2 O17 -","- C136 H112 Eu8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0356","0.0309","","","0.071","0.0737","","","","","","1.09","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229815","6.98","0.0014","13.54","0.003","17.99","0.004","91.02","0.03","98.04","0.03","102.72","0.03","1640.1","0.7","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Gd2 N2 O17 -","- C34 H28 Gd2 N2 O17 -","- C68 H56 Gd4 N4 O34 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0581","0.0432","","","0.0961","0.1056","","","","","","1.053","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229816","10.86","0.002","14.21","0.003","20.13","0.004","86.63","0.03","83.76","0.03","78.72","0.03","3026.2","1.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H49 N2 O31.5 Tb4 -","- C54 H47 N2 O31.5 Tb4 -","- C108 H94 N4 O63 Tb8 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0444","0.0404","","","0.0894","0.0922","","","","","","0.936","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229817","10.83","0.002","14.13","0.003","20.07","0.004","86.1","0.03","83.59","0.03","78.31","0.03","2985.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Dy4 N2 O31 -","- C54 H48 Dy4 N2 O31 -","- C108 H96 Dy8 N4 O62 -","2","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0469","0.0424","","","0.1061","0.1092","","","","","","1.008","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229818","7.017","0.0014","26.637","0.005","18.062","0.004","90","","98.27","0.03","90","","3340.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O17 Sm2 -","- C34 H28 N2 O17 Sm2 -","- C136 H112 N8 O68 Sm8 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0753","0.0679","","","0.1513","0.154","","","","","","1.226","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229819","6.961","0.0014","26.303","0.005","17.797","0.004","90","","97.86","0.03","90","","3227.9","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Dy2 N2 O17 -","- C34 H28 Dy2 N2 O17 -","- C136 H112 Dy8 N8 O68 -","4","1","","You, Li-Xin; Zhao, Bai-Bei; Liu, Hui-Jie; Wang, Shu-Ju; Xiong, Gang; He, Yong-Ke; Ding, Fu; Joos, Jonas J.; Smet, Philippe F.; Sun, Ya-Guang","2D and 3D lanthanide metal‒organic frameworks constructed from three benzenedicarboxylate ligands: synthesis, structure and luminescent properties","CrystEngComm","2018","20","5","615","","10.1039/C7CE01773A","","","0.71073","MoKα","","0.0721","0.0544","","","0.1266","0.1425","","","","","","1.06","","","","has coordinates","228961","2020-10-21","18:00:00",""
"7229820","11.2207","0.0003","6.68473","0.00016","11.9906","0.0003","90","","98.8862","0.0008","90","","888.59","0.04","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","Ca-Phthalate monohydrate","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.144","2.19","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229821","7.1114","0.0002","21.6561","0.0009","6.5925","0.0003","90","","92.208","0.005","90","","1014.53","0.07","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","Ca-Terephthalate trihydrate","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.747","3","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229822","13.9823","0.0007","6.6512","0.0002","9.5748","0.0003","90","","112.361","0.003","90","","823.49","0.06","293","","293","2","","","","","","","Mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Ca-Phthalate","Ca-Phthalate","Ca-Phthalate","- C8 H4 Ca O4 -","- C8 H4 Ca O4 -","- C32 H16 Ca4 O16 -","4","1","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.344","4.72","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229823","15.5899","0.0007","21.4477","0.0012","17.1872","0.0008","90","","111.848","0.003","90","","5334.1","0.5","293","","293","2","","","","","","","Mechanochemical synthesis","4","C 1 2/c 1","-C 2yc","15","Ca-Isophthalate","","Ca-Isophthalate","- C8 H4 Ca O7.4 -","- C8 H4 Ca O7.4 -","- C160 H80 Ca20 O148 -","20","2.5","","Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard","Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization","CrystEngComm","2018","20","7","946","","10.1039/C7CE01906H","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.566","1.25","","","","","","","has coordinates","229070","2020-10-21","18:00:00",""
"7229827","16.25176","0.00016","16.25176","0.00016","16.6475","0.0003","90","","90","","90","","4396.93","0.1","173","0.1","173","0.1","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C48 H32 N6 O8 S Zn2 -","- C48 H32 N6 O8 S1.002 Zn2 -","- C192 H128 N24 O32 S4.008 Zn8 -","4","0.25","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0422","0.0398","","","0.0998","0.1021","","","","","","1.054","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229828","14.8009","0.0003","24.9586","0.0004","15.8871","0.0003","90","","109.897","0.0019","90","","5518.5","0.19","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C56.25 H49.25 N6.75 O12.75 S Zn2 -","- C225 H197 N27 O51 S4 Zn8 -","4","1","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0391","0.0366","","","0.1023","0.1043","","","","","","1.06","","","","has coordinates","228960","2020-10-21","18:00:00",""
"7229829","13.3978","0.0006","14.469","0.0008","15.9117","0.0005","95.51","0.004","104.353","0.004","116.956","0.005","2584.9","0.3","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C116 H78 N12 O22 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","- C116 H74 N12 O20 S3 Zn4 -","1","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","","1.54184","CuKα","","0.1074","0.0888","","","0.2333","0.2729","","","","","","1.044","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229830","13.5045","0.0003","23.0471","0.0004","15.8666","0.0004","90","","114.098","0.003","90","","4507.9","0.2","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C48 H30 N4 O12 S3 Zn2 -","- C48 H30 N4 O12 S3 Zn2 -","- C192 H120 N16 O48 S12 Zn8 -","4","0.5","","Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties","CrystEngComm","2018","20","5","668","","10.1039/C7CE01933E","","x-ray","1.54184","CuKα","","0.0571","0.0505","","","0.1252","0.1292","","","","","","1.127","","","","has coordinates,has disorder","228960","2020-10-21","18:00:00",""
"7229831","10.822","0.003","12.45","0.003","13.434","0.004","68.323","0.006","84.539","0.007","77.041","0.007","1639","0.8","297","1","297","1","","","","","","","","4","P -1","-P 1","2","(E)-3-[1-(dibenzylamino)-3-phenylindolizin-7-yl]-3-phenyl-1-(pyridin-2-yl)prop-2-en-1-one","","","- C42 H33 N3 O -","- C42 H33 N3 O -","- C84 H66 N6 O2 -","2","1","","Albaladejo, María José; González-Soria, María José; Alonso, Francisco","Metal-free remote-site C‒H alkenylation: regio- and diastereoselective synthesis of solvatochromic dyes","Green Chemistry","2018","20","3","701","","10.1039/C7GC03436A","","","0.71073","MoKα","","0.1985","0.0598","","","0.1747","0.2945","","","","","","0.751","","","","has coordinates","230127","2020-10-21","18:00:00",""
"7229832","12.1335","0.0016","12.3113","0.0016","12.6442","0.0017","87.101","0.003","86.513","0.003","69.271","0.003","1762.4","0.4","297","2","297","1","","","","","","","","4","P -1","-P 1","2","(E)-3-[1-(dibenzylamino)-3-(4-methoxyphenyl)indolizin-7-yl]-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one","","","- C44 H37 N3 O3 -","- C44 H37 N3 O3 -","- C88 H74 N6 O6 -","2","1","","Albaladejo, María José; González-Soria, María José; Alonso, Francisco","Metal-free remote-site C‒H alkenylation: regio- and diastereoselective synthesis of solvatochromic dyes","Green Chemistry","2018","20","3","701","","10.1039/C7GC03436A","","","0.71073","MoKα","","0.1904","0.0669","","","0.1245","0.1668","","","","","","0.962","","","","has coordinates","230127","2020-10-21","18:00:00",""
"7229833","8.0788","0.0004","9.6116","0.0005","15.109","0.0008","96.069","0.005","93.599","0.004","108.477","0.005","1100.72","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 Mn N3 O7 -","- C26 H17 Mn N3 O7 -","- C52 H34 Mn2 N6 O14 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0719","0.046","","","0.0806","0.0907","","","","","","1.022","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229834","20.3749","0.0019","7.5106","0.0006","16.0252","0.0015","90","","124.774","0.014","90","","2014.3","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Mn N5 O8 -","- C20 H17 Mn N5 O8 -","- C80 H68 Mn4 N20 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0463","","","0.082","0.0915","","","","","","1.004","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229835","7.7854","0.0005","13.5993","0.0011","14.8167","0.001","110.658","0.007","98.024","0.006","99.705","0.006","1412.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","- C60 H56 N6 Ni3 O22 -","1","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0669","0.0483","","","0.1155","0.129","","","","","","1.002","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229836","14.2351","0.0004","10.6253","0.0003","15.7359","0.0004","90","","98.541","0.002","90","","2353.69","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 N6 O18 Zn3 -","- C52 H40 N6 O18 Zn3 -","- C104 H80 N12 O36 Zn6 -","2","0.5","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0609","0.0421","","","0.0952","0.1074","","","","","","1.021","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229837","14.3761","0.0017","12.3797","0.0014","19.691","0.002","90","","102.829","0.01","90","","3417","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H31 N5 Ni O10 -","- C38 H31 N5 Ni O10 -","- C152 H124 N20 Ni4 O40 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1676","0.0828","","","0.1942","0.2622","","","","","","1.037","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229838","10.2513","0.0008","14.1783","0.0011","27.31","0.002","88.503","0.006","85.396","0.006","84.24","0.007","3936","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cu3.5 N11 O23 -","- C90 H62 Cu3.5 N11 O23 -","- C180 H124 Cu7 N22 O46 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.1584","0.0779","","","0.1065","0.1371","","","","","","1.129","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229839","16.2136","0.0005","9.0346","0.0003","21.3033","0.0006","90","","107.852","0.003","90","","2970.33","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 Ni O8 -","- C24 H19 N3 Ni O8 -","- C96 H76 N12 Ni4 O32 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Liang, Xiao-Xiao; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M.","Bringing 5-(3,4-dicarboxylphenyl)picolinic acid to crystal engineering research: hydrothermal assembly, structural features, and photocatalytic activity of Mn, Ni, Cu, and Zn coordination polymers","CrystEngComm","2018","20","7","906","","10.1039/C7CE02009K","","","0.71073","MoKα","","0.0786","0.0626","","","0.2","0.217","","","","","","1.07","","","","has coordinates","229071","2020-10-21","18:00:00",""
"7229840","8.0133","0.0009","37.244","0.004","6.9698","0.0008","90","","92.806","0.002","90","","2077.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22.31 F N3 O7.16 -","- C21 H22.31 F N3 O7.155 -","- C84 H89.24 F4 N12 O28.62 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0545","0.0427","","","0.1072","0.115","","","","","","1.025","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229841","8.1127","0.0008","9.6281","0.0009","27.38","0.003","90","","93.525","0.002","90","","2134.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 F N3 O9 -","- C20 H26 F N3 O9 -","- C80 H104 F4 N12 O36 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0613","0.0392","","","0.081","0.0898","","","","","","1.021","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229842","6.7869","0.0004","9.3544","0.0006","15.73","0.0009","93.6351","0.0009","92.6297","0.0009","110.917","0.0009","928.45","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","- C36 H44 F2 N6 O12 -","1","0.5","","Surov, Artem O.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Roussel, Pascal; Perlovich, German L.","Diversity of crystal structures and physicochemical properties of ciprofloxacin and norfloxacin salts with fumaric acid","CrystEngComm","2018","20","6","755","","10.1039/C7CE02033C","","","0.71073","MoKα","","0.0418","0.0359","","","0.0985","0.1034","","","","","","1.04","","","","has coordinates","229005","2020-10-21","18:00:00",""
"7229843","3.7722","0.0003","8.864","0.0007","25.643","0.002","86.384","0.007","89.405","0.007","81.479","0.007","846.27","0.12","120","10","120","10","","","","","","","","3","P -1","-P 1","2","","","","- C11 H6 O2 -","- C11 H6 O2 -","- C44 H24 O8 -","4","2","","Chen, Jing-Huo; Deng, Cheng-Hua; Fang, Sheng; Ma, Jian-Gong; Cheng, Peng","Binuclear molybdenum alkoxide as the versatile catalyst for the conversion of carbon dioxide","Green Chemistry","2018","20","5","989","","10.1039/C7GC03372A","","","0.71073","MoKα","","0.106","0.0806","","","0.1831","0.1991","","","","","","1.11","","","","has coordinates","230093","2020-10-21","18:00:00",""
"7229844","3.8398","0.0008","6.201","0.003","35.222","0.007","90","","91.034","0.017","90","","838.5","0.5","120","10","120","10","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 O2 -","- C11 H5 O2 -","- C44 H20 O8 -","4","1","","Chen, Jing-Huo; Deng, Cheng-Hua; Fang, Sheng; Ma, Jian-Gong; Cheng, Peng","Binuclear molybdenum alkoxide as the versatile catalyst for the conversion of carbon dioxide","Green Chemistry","2018","20","5","989","","10.1039/C7GC03372A","","x-ray","0.71073","MoKα","","0.1045","0.089","","","0.1873","0.1961","","","","","","1.168","","","","has coordinates","230093","2020-10-21","18:00:00",""
"7229845","17.114","0.004","11.241","0.003","18.622","0.004","90","","116.978","0.004","90","","3192.6","1.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 N O4 S2 Se3 -","- C32 H25 N O4 S2 Se3 -","- C128 H100 N4 O16 S8 Se12 -","4","1","","Wang, Ying-chun; Liu, Li-qiu; Wang, Guang-mang; Ouyang, Hui; Li, You-ji","Catalyst-free room-temperature decarboxylative tri- or tetrafunctionalization of alkynyl carboxylic acids with N-fluorobenzenesulfonimide (NFSI) and diselenides","Green Chemistry","2018","20","3","604","","10.1039/C7GC03267F","","","0.71073","MoKα","","0.0622","0.0365","","","0.0931","0.105","","","","","","1.022","","","","has coordinates","230126","2020-10-21","18:00:00",""
"7229846","9.3039","0.0006","11.2838","0.0009","15.363","0.0008","110.126","0.006","99.341","0.005","93.707","0.006","1481.6","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 N O4 S2 Se2 -","- C32 H25 N O4 S2 Se2 -","- C64 H50 N2 O8 S4 Se4 -","2","1","","Wang, Ying-chun; Liu, Li-qiu; Wang, Guang-mang; Ouyang, Hui; Li, You-ji","Catalyst-free room-temperature decarboxylative tri- or tetrafunctionalization of alkynyl carboxylic acids with N-fluorobenzenesulfonimide (NFSI) and diselenides","Green Chemistry","2018","20","3","604","","10.1039/C7GC03267F","","x-ray","0.71073","MoKα","","0.0601","0.0396","","","0.0877","0.099","","","","","","1.034","","","","has coordinates","230126","2020-10-21","18:00:00",""
"7229847","4.914","0.006","5.655","0.007","28.95","0.03","87.035","0.005","84.31","0.004","85.513","0.004","797.3","1.6","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N2 O4 S4 -","- C32 H32 N2 O4 S4 -","- C32 H32 N2 O4 S4 -","1","0.5","","Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L.","A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.","Physical chemistry chemical physics : PCCP","2018","20","5","3630","3636","10.1039/c7cp06679a","powder diffraction","x-ray","0.775375","synchrotron","","","","","","","","","0.0171","10.5326","","","","","","","has coordinates","230913","2020-10-21","18:00:00",""
"7229848","5.406","0.006","5.135","0.005","32.36","0.03","101.877","0.003","91.55","0.003","94.423","0.002","875.6","1.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 N2 O4 S4 -","- C36 H40 N2 O4 S4 -","- C36 H40 N2 O4 S4 -","1","0.5","","Cappuccino, C.; Mazzeo, P. P.; Salzillo, T.; Venuti, E.; Giunchi, A.; Della Valle, R. G.; Brillante, A.; Bettini, C.; Melucci, M.; Maini, L.","A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.","Physical chemistry chemical physics : PCCP","2018","20","5","3630","3636","10.1039/c7cp06679a","powder diffraction","x-ray","0.775375","synchrotron","","","","","","","","","0.0242","5.32527","","","","","","","has coordinates","230913","2020-10-21","18:00:00",""
"7229849","10.188","0.002","28.963","0.006","16.627","0.005","90","","117.64","0.02","90","","4346","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd3 N9 O17 -","- C42 H34 Cd3 N9 O17 -","- C168 H136 Cd12 N36 O68 -","4","1","","Huang, Qi; Huang, Ji-Han; Gu, Lei; Ruan, Jia-xin; Yu, Ying-Hui; Gao, Jin-Sheng","Two new luminescence cadmium coordination polymers constructed by 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl and polycarboxylic acids: syntheses, structures, Fe3+ identifying and photo-degradable properties","RSC Advances","2018","8","1","557","","10.1039/C7RA10855A","","","0.71073","MoKα","","0.037","0.0278","","","0.0516","0.053","","","","","","1.008","","","","has coordinates","204682","2020-10-21","18:00:00",""
"7229850","9.7918","0.0002","20.1958","0.0004","13.9061","0.0004","90","","112.116","0.002","90","","2547.64","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 Cd4 N12 O20 -","- C52 H32 Cd4 N12 O20 -","- C104 H64 Cd8 N24 O40 -","2","0.5","","Huang, Qi; Huang, Ji-Han; Gu, Lei; Ruan, Jia-xin; Yu, Ying-Hui; Gao, Jin-Sheng","Two new luminescence cadmium coordination polymers constructed by 4,4′-di(4H-1,2,4-triazol-4-yl)-1,1′-biphenyl and polycarboxylic acids: syntheses, structures, Fe3+ identifying and photo-degradable properties","RSC Advances","2018","8","1","557","","10.1039/C7RA10855A","","","0.71073","MoKα","","0.0324","0.0277","","","0.0654","0.068","","","","","","1.099","","","","has coordinates","204682","2020-10-21","18:00:00",""
"7229851","8.0397","0.0005","9.627","0.0006","14.3024","0.0008","81.219","0.002","79.289","0.002","86.038","0.002","1074","0.11","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C28 H25 B O2 -","- C28 H25 B O2 -","- C56 H50 B2 O4 -","2","1","","Kaiser, R. P.; Ulč, J.; Císařová, I.; Nečas, D.","Direct regioselective C‒H borylation of [5]helicene","RSC Advances","2018","8","1","580","","10.1039/C7RA13021J","","","0.71073","MoKα","","0.0535","0.042","","","0.0993","0.1048","","","","","","1.059","","","","has coordinates","204683","2020-10-21","18:00:00",""
"7229852","8.5564","0.0004","12.4605","0.0005","17.046","0.0007","79.561","0.002","85.274","0.002","71.155","0.002","1690.95","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","2-aminoheptafluoronaphthalene 18-crown-6 2:1 associate","","- C32 H28 F14 N2 O6 -","- C32 H28 F14 N2 O6 -","- C64 H56 F28 N4 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0592","0.0357","","","0.1128","0.1466","","","","","","1.028","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229853","9.2488","0.0004","9.8098","0.0005","9.8855","0.0005","105.139","0.003","105.804","0.003","114.814","0.002","707.24","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","pentafluoroaniline 18-crown-6 2:1 associate","","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","- C24 H28 F10 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0805","0.0584","","","0.1752","0.204","","","","","","0.965","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229854","6.1047","0.0007","13.2859","0.0011","7.4684","0.0009","90","","94.767","0.006","90","","603.64","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminotetrafluoropyridine","","- C5 H2 F4 N2 -","- C5 H2 F4 N2 -","- C20 H8 F16 N8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.052","0.0416","","","0.1498","0.1678","","","","","","0.997","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229855","14.55","0.012","11.592","0.012","34.58","0.03","90","","90.11","0.03","90","","5832","9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-cyano-2,3,5,6-tetrafluoroaniline 18-crown-6 2:1 associate","","- C26 H28 F8 N4 O6 -","- C26 H27.532 F8 N4 O6 -","- C208 H220.256 F64 N32 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.1935","0.151","","","0.4463","0.4817","","","","","","1.903","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229856","18.5893","0.0006","9.6007","0.0003","16.5096","0.0005","90","","116.454","0.001","90","","2637.95","0.14","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5,6-tetrafluoropyridine and 18-crown-6 2:1 associate","","- C22 H28 F8 N4 O6 -","- C22 H28 F8 N4 O6 -","- C88 H112 F32 N16 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0707","0.0546","","","0.1307","0.1435","","","","","","1.054","","","","has coordinates,has disorder","229007","2020-10-21","18:00:00",""
"7229857","8.5736","0.0003","9.9242","0.0004","10.1058","0.0005","117.412","0.002","103.573","0.002","100.167","0.002","700.49","0.06","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2,3,5,6-tetrafluoroaniline and 18-crown-6 2:1 associate","","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","- C24 H30 F8 N2 O6 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Pishchur, Denis P.; Chuikov, Igor P.; Malykhin, Evgenij V.","Controlled self-assembly of π-stacked/H-bonded 1D crystal structures from polyfluorinated arylamines and 18-crown-6 (2 : 1). Associatevs.co-former fluorescence properties","CrystEngComm","2018","20","6","807","","10.1039/C7CE01851G","","","0.71073","MoKα","","0.0658","0.0517","","","0.1534","0.1738","","","","","","0.928","","","","has coordinates","229007","2020-10-21","18:00:00",""
"7229858","12.4846","0.0003","14.5722","0.0002","15.5223","0.0002","79.157","0.001","67.587","0.002","69.131","0.002","2434.88","0.09","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H110 Cl2 Dy6 N10 O30 -","- C86 H110 Cl2 Dy6 N10 O30 -","- C86 H110 Cl2 Dy6 N10 O30 -","1","0.5","","Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei","Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation","RSC Advances","2018","8","2","767","","10.1039/C7RA11378A","","","0.71073","MoKα","","0.0369","0.0306","","","0.0673","0.0729","","","","","","1.037","","","","has coordinates","204723","2020-10-21","18:00:00",""
"7229859","13.4065","0.0003","21.701","0.0004","17.9936","0.0004","90","","99.84","0.002","90","","5157.95","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H124 Dy6 N2 O34 -","- C76 H124 Dy6 N2 O34 -","- C152 H248 Dy12 N4 O68 -","2","0.5","","Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei","Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation","RSC Advances","2018","8","2","767","","10.1039/C7RA11378A","","","0.71073","MoKα","","0.0652","0.0522","","","0.1175","0.1257","","","","","","1.18","","","","has coordinates","204723","2020-10-21","18:00:00",""
"7229860","8.3668","0.0004","12.3575","0.0005","30.7228","0.0013","90","","90.524","0.001","90","","3176.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","IrBz","'(pentamethylcyclopentadienyl)Iridium(bibenzimidazole)(chloride)chlorido'","","- C26 H27 Cl8 Ir N4 -","- C26 H27 Cl8 Ir N4 -","- C104 H108 Cl32 Ir4 N16 -","4","1","","Gunasekar, Gunniya Hariyanandam; Yoon, Yeahsel; Baek, Il-hyun; Yoon, Sungho","Catalytic reactivity of an iridium complex with a proton responsive N-donor ligand in CO2 hydrogenation to formate","RSC Advances","2018","8","3","1346","","10.1039/C7RA12343D","","","0.71073","MoKα","","0.0269","0.0234","","","0.0575","0.0594","","","","","","0.925","","","","has coordinates","204724","2020-10-21","18:00:00",""
"7229861","11.4313","0.0003","14.6649","0.0003","12.9413","0.0004","90","","102.751","0.003","90","","2115.96","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N4 O8 -","- C18 H19 Cd N4 O8 -","- C72 H76 Cd4 N16 O32 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.063","0.0411","","","0.076","0.0844","","","","","","1.005","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229862","9.24","0.002","9.716","0.003","11.092","0.005","100.29","0.03","90.03","0.02","100.76","0.02","962","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cd N4 O6 -","- C18 H20 Cd N4 O6 -","- C36 H40 Cd2 N8 O12 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.2304","0.1235","","","0.2738","0.339","","","","","","1.013","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229863","17.9994","0.0003","17.9994","0.0003","28.3709","0.0007","90","","90","","90","","9191.6","0.3","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 N5 O7 Zn -","- C23 H23 N5 O7 Zn -","- C368 H368 N80 O112 Zn16 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0331","0.0277","","","0.0608","0.0634","","","","","","1.054","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229864","30.7094","0.0013","7.0123","0.0003","7.4215","0.0004","90","","90","","90","","1598.17","0.13","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0636","0.0468","","","0.1106","0.1231","","","","","","1.019","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229865","14.4827","0.0003","10.716","0.0002","18.3369","0.0004","90","","98.401","0.0019","90","","2815.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cd N7 O9 -","- C25 H31 Cd N7 O9 -","- C100 H124 Cd4 N28 O36 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0588","0.0389","","","0.0648","0.0715","","","","","","0.998","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229866","18.3535","0.0007","18.3535","0.0007","28.847","0.0013","90","","90","","90","","9717.1","0.7","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C23 H23 Cd N5 O7 -","- C23 H23 Cd N5 O7 -","- C368 H368 Cd16 N80 O112 -","16","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0405","0.0328","","","0.0799","0.0855","","","","","","1.02","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229867","9.1569","0.0003","9.3193","0.0005","14.7832","0.0007","74.014","0.005","81.153","0.004","79.432","0.004","1185.04","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0677","0.0466","","","0.061","0.0685","","","","","","0.999","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229868","31.0771","0.0015","7.1271","0.0004","7.6076","0.0004","90","","90","","90","","1685","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0829","0.0478","","","0.064","0.0724","","","","","","0.994","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229869","7.1206","0.0002","30.8546","0.0013","7.4367","0.0002","90","","90.534","0.003","90","","1633.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N3 O7 Zn -","- C12 H17 N3 O7 Zn -","- C48 H68 N12 O28 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.064","0.0587","","","0.1584","0.1609","","","","","","1.088","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229870","31.782","0.002","7.0949","0.0005","7.3953","0.0005","90","","90","","90","","1667.57","0.19","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H17 N3 O6 S Zn -","- C12 H17 N3 O6 S Zn -","- C48 H68 N12 O24 S4 Zn4 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0581","0.0454","","","0.101","0.111","","","","","","1.022","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229871","7.2332","0.0003","29.3496","0.001","7.6871","0.0003","90","","94.263","0.003","90","","1627.39","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 Cd N3 O7 -","- C12 H17 Cd N3 O7 -","- C48 H68 Cd4 N12 O28 -","4","1","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0447","0.0337","","","0.0643","0.0691","","","","","","1.062","","","","has coordinates","228992","2020-10-21","18:00:00",""
"7229872","6.0843","0.0004","13.0084","0.0006","23.5288","0.0012","97.915","0.004","95.39","0.005","95.166","0.004","1826.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cd N2 O8 -","- C14 H22 Cd N2 O8 -","- C56 H88 Cd4 N8 O32 -","4","2","","Chisca, Diana; Croitor, Lilia; Petuhov, Oleg; Kulikova, Olga V.; Volodina, Galina F.; Coropceanu, Eduard B.; Masunov, Artëm E.; Fonari, Marina S.","Tuning structures and emissive properties in a series of Zn(ii) and Cd(ii) coordination polymers containing dicarboxylic acids and nicotinamide pillars","CrystEngComm","2018","20","4","432","","10.1039/C7CE01988B","","","0.71073","MoKα","","0.0492","0.0336","","","0.0598","0.0663","","","","","","0.979","","","","has coordinates,has disorder","228992","2020-10-21","18:00:00",""
"7229873","14","0.0012","23.672","0.002","26.421","0.002","90","","92.048","0.002","90","","8750.5","1.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C92 H77 Cd4 O54.5 -","- C92 H77 Cd4 O54.5 -","- C368 H308 Cd16 O218 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0447","0.0358","","","0.0928","0.0985","","","","","","1.027","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229874","16.495","0.003","10.1203","0.0019","20.613","0.004","90","","95.377","0.004","90","","3425.9","1.1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cd N3 O12.5 -","- C29 H35 Cd N3 O12.5 -","- C116 H140 Cd4 N12 O50 -","4","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.1254","0.0777","","","0.2215","0.2788","","","","","","1.041","","","","has coordinates,has disorder","228991","2020-10-21","18:00:00",""
"7229875","31.84","0.01","13.478","0.004","19.854","0.006","90","","91.365","0.006","90","","8518","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cd2 N O11 -","- C27 H18 Cd2 N O11 -","- C216 H144 Cd16 N8 O88 -","8","1","","Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu","Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs","CrystEngComm","2018","20","4","477","","10.1039/C7CE01920C","","","0.71073","MoKα","","0.0733","0.0589","","","0.1526","0.1603","","","","","","1.044","","","","has coordinates","228991","2020-10-21","18:00:00",""
"7229876","8.3702","0.0006","8.8979","0.0008","12.4669","0.0009","97.411","0.007","106.008","0.006","113.67","0.008","786.53","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N3 O4 S -","- C14 H17 N3 O4 S -","- C28 H34 N6 O8 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0984","0.0641","","","0.176","0.2032","","","","","","1.042","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229877","7.526","0.0006","8.0281","0.0006","13.5383","0.001","89.67","0.006","87.437","0.006","67.782","0.007","756.43","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O3 S -","- C15 H17 N3 O3 S -","- C30 H34 N6 O6 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1151","0.0889","","","0.2249","0.2422","","","","","","1.055","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229878","17.5595","0.0009","17.5595","0.0009","8.6657","0.0007","90","","90","","120","","2314","0.3","295","2","295","2","","","","","","","","5","P -3","-P 3","147","","","","- C14 H15 N3 O3 S -","- C14 H15 N3 O3 S -","- C84 H90 N18 O18 S6 -","6","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1141","0.0553","","","0.1094","0.1298","","","","","","1.007","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229879","13.3038","0.0005","13.487","0.0005","14.3074","0.0005","85.881","0.003","85.582","0.003","69.949","0.003","2401.56","0.16","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 N3 O4 P2 Ru S -","- C56 H45 N3 O4 P2 Ru S -","- C112 H90 N6 O8 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0689","0.0425","","","0.0824","0.0916","","","","","","1.016","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229880","13.0569","0.0005","13.7232","0.0005","13.8479","0.0005","89.094","0.003","75.301","0.003","70.576","0.003","2257.08","0.16","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H45 N3 O5 P2 Ru S -","- C51 H45 N3 O5 P2 Ru S -","- C102 H90 N6 O10 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.0582","0.039","","","0.0833","0.0924","","","","","","1.034","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229881","12.2016","0.0007","13.4519","0.0007","15.1541","0.0009","82.857","0.004","79.55","0.005","65.934","0.005","2229.9","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 N3 O4 P2 Ru S -","- C51 H43 N3 O4 P2 Ru S -","- C102 H86 N6 O8 P4 Ru2 S2 -","2","1","","Kalaiarasi, G.; Jeya Rajkumar, S. Rex; Dharani, S.; Małecki, J. G.; Prabhakaran, R.","An investigation on 3-acetyl-7-methoxy-coumarin Schiff bases and their Ru(ii) metallates with potent antiproliferative activity and enhanced LDH and NO release","RSC Advances","2018","8","3","1539","","10.1039/C7RA12104K","","x-ray","0.71073","MoKα","","0.1085","0.0839","","","0.2024","0.233","","","","","","1.092","","","","has coordinates","204738","2020-10-21","18:00:00",""
"7229882","7.9518","0.0003","9.5337","0.0005","10.5702","0.0003","89.02","0.003","76.831","0.003","65.86","0.004","709.41","0.06","99.9","0.2","99.9","0.2","","","","","","","","5","P 1","P 1","1","","","","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","- C34 H33 B N2 O8 -","1","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0256","0.0252","","","0.0661","0.0664","","","","","","1.012","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229883","9.49961","0.00015","13.42524","0.00018","12.0837","0.0002","90","","110.171","0.0019","90","","1446.57","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H44 B N O6 -","- C30 H44 B N O6 -","- C60 H88 B2 N2 O12 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0305","0.0277","","","0.0631","0.0643","","","","","","1.008","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229884","12.1841","0.0004","10.7394","0.0003","16.5166","0.0007","90","","98.35","0.003","90","","2138.29","0.13","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H42 B2 Cl4 N2 O13 -","- C43 H42 B2 Cl4 N2 O13 -","- C86 H84 B4 Cl8 N4 O26 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54178","CuKα","","0.0564","0.052","","","0.1421","0.1445","","","","","","1.022","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229885","11.5542","0.0004","18.7836","0.0005","11.981","0.0004","90","","95.04","0.003","90","","2590.18","0.14","100.01","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","2","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0342","0.0305","","","0.0811","0.0826","","","","","","1.012","","","","has coordinates","204739","2020-10-21","18:00:00",""
"7229886","12.2938","0.0001","19.4089","0.0002","16.2958","0.0002","90","","90.477","0.001","90","","3888.19","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C86 H88 B4 N4 O24 -","- C86 H88 B4 N4 O24 -","- C172 H176 B8 N8 O48 -","2","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.0501","0.049","","","0.1269","0.1278","","","","","","1.018","","","","has coordinates,has disorder","204739","2020-10-21","18:00:00",""
"7229887","11.70439","0.00017","11.9649","0.00018","18.9233","0.0002","90","","90","","90","","2650.05","0.06","281","12","281","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.031","0.0285","","","0.0751","0.077","","","","","","1.014","","","","has coordinates,has disorder","204739","2020-10-21","18:00:00",""
"7229888","9.1829","0.0005","25.6141","0.0016","18.5826","0.0012","90","","99.823","0.002","90","","4306.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-formic acid solvate","","- C112 H88 N8 O12 -","- C112 H88 N8 O12 -","- C224 H176 N16 O24 -","2","0.5","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.2024","0.0884","","","0.2102","0.2595","","","","","","1.024","","","","has coordinates,has disorder","228959","2020-10-21","18:00:00",""
"7229889","10.5529","0.0018","25.439","0.005","8.9279","0.0015","90","","90","","90","","2396.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline-propanoic acid solvate","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.0782","0.0429","","","0.0915","0.103","","","","","","1.016","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229890","9.3054","0.0009","28.633","0.003","15.6531","0.0016","90","","103.437","0.003","90","","4056.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-acetyl-3-(phenyl)-5-(1-pyrenyl) pyrazoline","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","2","","Feng, Qi; Wang, Jiali; Ding, Shiyuan; Chen, Yang; Diao, Guowang; Zhu, Pingting","Polymorphism and solvates of 1-acetyl-3-(phenyl)-5-(1-pyrenyl)pyrazoline: the structures, thermal and optical-physical properties","CrystEngComm","2018","20","5","661","","10.1039/C7CE01990D","","","0.71073","MoKα","","0.1595","0.0629","","","0.1346","0.1688","","","","","","1.01","","","","has coordinates","228959","2020-10-21","18:00:00",""
"7229891","12.6331","0.0013","15.3655","0.0018","14.1392","0.0015","90","","95.557","0.003","90","","2731.7","0.5","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 -","- C40 H24 -","- C160 H96 -","4","1","","Singh, Anuja; Pati, Avik Kumar; Mishra, Ashok Kumar","Photophysics and peripheral ring size dependent aggregate emission of cross-conjugated enediynes: applications to white light emission and vapor sensing.","Physical chemistry chemical physics : PCCP","2018","20","6","4167","4180","10.1039/c7cp08091c","","","0.71073","MoKα","","0.0673","0.0478","","","0.0977","0.1111","","","","","","1.025","","","","has coordinates","230924","2020-10-21","18:00:00",""
"7229901","7.8201","0.0016","8.318","0.0017","11.36","0.002","91.58","0.03","92.89","0.03","116.34","0.03","660.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0493","0.039","","","0.1069","0.1146","","","","","","1.057","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229902","17.887","0.002","7.0953","0.0009","23.419","0.003","90","","90","","90","","2972.2","0.6","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N4 O4 -","- C14 H20 N4 O4 -","- C112 H160 N32 O32 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0492","0.0382","","","0.0945","0.1019","","","","","","1.026","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229903","30.274","0.003","6.7982","0.0007","14.2368","0.0014","90","","115.727","0.002","90","","2639.6","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N2 O4.5 -","- C12 H19 N2 O4.5 -","- C96 H152 N16 O36 -","8","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0491","0.0428","","","0.1164","0.1223","","","","","","1.04","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229904","9.8016","0.0014","10.7859","0.0015","11.3248","0.0016","70.022","0.003","78.358","0.003","86.692","0.003","1102","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N6 O7 -","- C22 H24 N6 O7 -","- C44 H48 N12 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0768","0.054","","","0.1374","0.1519","","","","","","1.047","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229905","8.3765","0.001","8.4985","0.001","12.2641","0.0014","79.403","0.002","76.928","0.002","80.829","0.002","829.58","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 O7 -","- C15 H20 N4 O7 -","- C30 H40 N8 O14 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0431","0.0385","","","0.1065","0.1108","","","","","","1.04","","","","has coordinates,has disorder","218546","2020-10-21","18:00:00",""
"7229906","25.812","0.002","10.0083","0.0009","11.1713","0.001","90","","99.7","0.002","90","","2844.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N2 O4.5 -","- C14 H21 N2 O4.5 -","- C112 H168 N16 O36 -","8","2","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.064","0.0518","","","0.129","0.1361","","","","","","1.054","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229907","7.3089","0.0006","7.3878","0.0006","10.8979","0.0009","94.198","0.001","90.084","0.002","98.051","0.001","581.05","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C24 H24 N4 O10 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0374","0.0346","","","0.0975","0.1004","","","","","","1.042","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229908","19.046","0.002","7.1278","0.0008","15.6486","0.0018","90","","113.193","0.002","90","","1952.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0705","0.0446","","","0.1035","0.1168","","","","","","1.039","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229909","7.1376","0.0004","9.5383","0.0005","16.6511","0.0009","98.339","0.001","101.009","0.001","108.288","0.001","1030.69","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N3 O4 -","- C26 H20 N3 O4 -","- C52 H40 N6 O8 -","2","1","","Amombo Noa, Francoise M.; Mehlana, Gift","Co-crystals and Salts of Vanillic Acid and Vanillin with Amines","CrystEngComm","2018","20","7","896","905","10.1039/c7ce02022h","","","0.71073","MoKα","","0.0501","0.0399","","","0.1025","0.1084","","","","","","1.068","","","","has coordinates","218546","2020-10-21","18:00:00",""
"7229910","15.286","0.003","9.921","0.002","19.852","0.004","90","","108.46","0.03","90","","2855.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Co N6 O8 -","- C28 H26 Co N6 O8 -","- C112 H104 Co4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.0822","0.0511","","","0.1051","0.1151","","","","","","1.038","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229911","15.276","0.003","9.993","0.002","19.942","0.004","90","","108.46","0.03","90","","2887.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Fe N6 O8 -","- C28 H26 Fe N6 O8 -","- C112 H104 Fe4 N24 O32 -","4","1","","Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu","Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex","CrystEngComm","2018","20","7","962","","10.1039/C7CE01981E","","","0.71073","MoKα","","0.1177","0.068","","","0.12","0.1337","","","","","","1.1","","","","has coordinates","229069","2020-10-21","18:00:00",""
"7229912","9.765","0.0003","25.1863","0.0009","18.985","0.0007","90","","104.254","0.001","90","","4525.5","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1383","0.0876","","","0.2192","0.2858","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229913","9.7912","0.0002","25.4967","0.0008","19.1789","0.0005","90","","104.291","0.001","90","","4639.7","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0647","","","0.1651","0.2279","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229914","9.8071","0.0002","25.6011","0.0007","19.2577","0.0005","90","","104.347","0.001","90","","4684.3","0.2","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1653","0.0703","","","0.1864","0.2595","","","","","","1.061","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229915","9.7994","0.0002","25.5488","0.0007","19.2173","0.0005","90","","104.313","0.001","90","","4662","0.2","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1578","0.0683","","","0.1839","0.2543","","","","","","1.066","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229916","9.777","0.0003","25.3964","0.001","19.1058","0.0007","90","","104.272","0.001","90","","4597.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1337","0.0613","","","0.149","0.2041","","","","","","1.051","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229917","9.7754","0.0003","25.3489","0.0008","19.0721","0.0006","90","","104.284","0.001","90","","4579.9","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1472","0.0898","","","0.2265","0.3061","","","","","","1.026","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229918","9.7836","0.0002","25.4438","0.0008","19.1399","0.0006","90","","104.278","0.001","90","","4617.4","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1359","0.0639","","","0.1606","0.2171","","","","","","1.046","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229919","9.8177","0.001","25.66","0.003","19.305","0.002","90","","104.384","0.004","90","","4710.9","0.9","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1592","0.0727","","","0.2049","0.2735","","","","","","1.035","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229920","9.7661","0.0003","25.2392","0.0008","19.0103","0.0006","90","","104.274","0.001","90","","4541.2","0.2","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1366","0.0888","","","0.2262","0.2896","","","","","","1.037","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229921","9.7654","0.0004","25.1269","0.0011","18.9626","0.0008","90","","104.199","0.001","90","","4510.8","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1321","0.0886","","","0.2249","0.2833","","","","","","1.033","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229922","9.7703","0.0003","25.2982","0.0008","19.0409","0.0006","90","","104.279","0.001","90","","4561","0.2","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ABN.2DMABN","","","- C25 H26 N6 -","- C25 H26 N6 -","- C200 H208 N48 -","8","2","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Large volumetric thermal expansion of a novel organic cocrystal over a wide temperature range","CrystEngComm","2018","20","5","631","","10.1039/C7CE01848G","","","0.71073","MoKα","","0.1425","0.0896","","","0.2229","0.2952","","","","","","1.02","","","","has coordinates","228957","2020-10-21","18:00:00",""
"7229923","9.856","0.002","9.951","0.002","10.625","0.002","62.77","0.03","64.9","0.03","84.22","0.03","833.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","1","0.5","","Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua","A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift","RSC Advances","2018","8","4","1973","","10.1039/C7RA11950J","","","0.71073","MoKα","","0.0696","0.0545","","","0.1433","0.1528","","","","","","1.086","","","","has coordinates","204973","2020-10-21","18:00:00",""
"7229924","9.715","0.0019","9.887","0.002","10.541","0.002","62.33","0.03","66.13","0.03","84.03","0.03","815.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","- C16 H32 Br2 Cu6 I6 N4 -","1","0.5","","Xin, Bingjing; Sang, Jianwei; Gao, Yi; Li, Guanghua; Shi, Zhan; Feng, Shouhua","A pillared-layered copper(i) halide-based metal‒organic framework exhibiting dual emission, and piezochromic and thermochromic properties with a large temperature-dependent emission red-shift","RSC Advances","2018","8","4","1973","","10.1039/C7RA11950J","","","0.71073","MoKα","","0.0529","0.0463","","","0.1175","0.1206","","","","","","1.102","","","","has coordinates","204973","2020-10-21","18:00:00",""
"7229925","7.891","0.004","7.425","0.003","8.722","0.004","90","","108.523","0.005","90","","484.6","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H6 N12 O2 -","- C4 H6 N12 O2 -","- C8 H12 N24 O4 -","2","1","","Tao, Jingjing; Jin, Bo; Chu, Shijin; Peng, Rufang; Shang, Yu; Tan, Bisheng","Novel insensitive energetic-cocrystal-based BTO with good comprehensive properties","RSC Advances","2018","8","4","1784","","10.1039/C7RA11428A","","","0.71073","MoKα","","0.0532","0.0517","","","0.1453","0.1472","","","","","","1.003","","","","has coordinates","204974","2020-10-21","18:00:00",""
"7229926","11.7756","0.0004","9.1501","0.0003","11.4455","0.0004","90","","103.01","0.003","90","","1201.57","0.07","105.2","","105.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cl N5 O3 -","- C9 H12 Cl N5 O3 -","- C36 H48 Cl4 N20 O12 -","4","1","","Yang, Dongyan; Wan, Chuan; Xiao, Yumei; Che, Chuanliang; Rui, Changhui; Qin, Zhaohai","Design, synthesis, and insecticidal activity of novel 1-alkoxy-2-nitroguanidines","RSC Advances","2018","8","4","1838","","10.1039/C7RA11454K","","","0.7107","MoKα","","0.0497","0.0411","","","0.0984","0.1039","","","","","","1.067","","","","has coordinates","204975","2020-10-21","18:00:00",""
"7229927","8.723","0.0015","14.244","0.002","16.507","0.003","90","","100.782","0.003","90","","2014.8","0.6","193","1","193","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br4 Hg2 N4 O -","- C13 H12 Br4 Hg2 N4 O -","- C52 H48 Br16 Hg8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0447","0.0323","","","0.0734","0.0776","","","","","","1.023","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229928","9.4971","0.001","19.796","0.002","9.2661","0.001","90","","96.913","0.01","90","","1729.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Hg I2 N4 O -","- C13 H12 Hg I2 N4 O -","- C52 H48 Hg4 I8 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71069","MoKα","","0.0352","0.0254","","","0.0753","0.0779","","","","","","1.055","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229929","10.8009","0.001","15.013","0.0013","11.3474","0.001","90","","108.659","0.002","90","","1743.3","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br Hg N4 O -","- C18 H13 Br Hg N4 O -","- C72 H52 Br4 Hg4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0876","0.0758","","","0.2154","0.2184","","","","","","1.974","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229930","10.7093","0.001","15.1214","0.0014","11.4424","0.0011","90","","110.275","0.001","90","","1738.2","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Hg I N4 O -","- C18 H13 Hg I N4 O -","- C72 H52 Hg4 I4 N16 O4 -","4","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.0491","0.0365","","","0.0749","0.0799","","","","","","1.026","","","","has coordinates","228937","2020-10-21","18:00:00",""
"7229931","9.9325","0.0018","10.233","0.002","12.755","0.003","91.65","0.02","110.98","0.02","106.46","0.02","1148.5","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Hg I2 N4 O2 -","- C19 H18 Hg I2 N4 O2 -","- C38 H36 Hg2 I4 N8 O4 -","2","1","","Mahmoudi, Ghodrat; Zaręba, Jan K.; Bauzá, Antonio; Kubicki, Maciej; Bartyzel, Agata; Keramidas, Anastasios D.; Butusov, Leonid; Mirosław, Barbara; Frontera, Antonio","Recurrent supramolecular motifs in discrete complexes and coordination polymers based on mercury halides: prevalence of chelate ring stacking and substituent effects","CrystEngComm","2018","20","8","1065","","10.1039/C7CE02166F","","","0.71073","MoKα","","0.1182","0.0622","","","0.1458","0.1577","","","","","","0.825","","","","has coordinates,has disorder","228937","2020-10-21","18:00:00",""
"7229932","8.8432","0.0019","17.4","0.004","16.43","0.004","90","","91.832","0.004","90","","2526.8","1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H2 Cl3 N5 O4 -","- C8 H2 Cl3 N5 O4 -","- C64 H16 Cl24 N40 O32 -","8","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0582","0.0413","","","0.104","0.1139","","","","","","1.02","","","","has coordinates","205019","2020-10-21","18:00:00",""
"7229933","16.424","0.003","10.27","0.002","17.559","0.003","90","","92.886","0.004","90","","2958","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Cl2 N8 O4 -","- C10 H4 Cl2 N8 O4 -","- C80 H32 Cl16 N64 O32 -","8","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0965","0.0788","","","0.2088","0.2193","","","","","","1.118","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229934","11.5557","0.0018","11.6416","0.0019","11.1129","0.0017","90","","116.222","0.003","90","","1341.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H2 N14 O4 -","- C8 H2 N14 O4 -","- C32 H8 N56 O16 -","4","1","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.062","0.0468","","","0.1089","0.1174","","","","","","1.039","","","","has coordinates","205019","2020-10-21","18:00:00",""
"7229935","8.941","0.003","7.445","0.003","20.759","0.007","90","","106.328","0.015","90","","1326.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N10 O4 -","- C10 H8 N10 O4 -","- C40 H32 N40 O16 -","4","1","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.1012","0.0522","","","0.1137","0.1328","","","","","","0.974","","","","has coordinates","205019","2020-10-21","18:00:00",""
"7229936","7.4815","0.0011","9.2466","0.0013","16.151","0.003","87.286","0.004","87.725","0.003","89.891","0.003","1115.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N8 O4 -","- C8 H8 N8 O4 -","- C32 H32 N32 O16 -","4","2","","Yang, Wei; Lu, Huanchang; Liao, Longyu; Fan, Guijuan; Ma, Qing; Huang, Jinglun","Synthesis, and single crystal structure of fully-substituted polynitrobenzene derivatives for high-energy materials","RSC Advances","2018","8","4","2203","","10.1039/C7RA13346D","","","0.71073","MoKα","","0.0647","0.0486","","","0.1219","0.1331","","","","","","1.034","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229937","15.0769","0.0002","8.801","0.0001","15.4166","0.0002","90","","115.203","0.001","90","","1850.92","0.04","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5-dimethyl-2-(thiophen-3-yl)-6-(4-(trifluoromethyl)phenyl)-1,5-dihydrodipyrrolo[3,2-b:3',2'-e]pyrazine","","- C21 H15 F3 N4 S -","- C21 H15 F3 N4 S -","- C84 H60 F12 N16 S4 -","4","1","","Meti, Puttavva; Gong, Young-Dae","Unveiling the photophysical and morphological properties of an acidochromic thiophene flanked dipyrrolopyrazine-based chromophore for optoelectronic application","RSC Advances","2018","8","4","2004","","10.1039/C7RA12527E","","","0.71073","MoKα","","0.1359","0.112","","","0.3494","0.3831","","","","","","1.554","","","","has coordinates","210197","2020-10-21","18:00:00",""
"7229938","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","Xu, Li; Lu, Ying; Huang, Liping; Li, Xiaohui; Wang, Shuang; Zhang, Zhong; Liu, Shuxia","Synthesis and properties of a POM-based trinuclear copper(ii) triazole framework","RSC Advances","2018","8","4","2034","","10.1039/C7RA12150D","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","205021","2020-10-21","18:00:00",""
"7229939","11.71759","0.00015","11.71759","0.00015","9.48728","0.00013","90","","90","","120","","1128.1","0.03","100","0.1","100","0.1","","","","","","","","4","P 32","P 32","145","11-Azaart","11-azaartemisinin","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C45 H69 N3 O12 -","3","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0579","0.0582","","","","","","1.016","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229940","9.64312","0.00019","9.3622","0.0002","22.8165","0.0004","90","","90.9437","0.0018","90","","2059.61","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Ben","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","2","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0403","0.0348","","","0.0785","0.0818","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229941","9.79451","0.00014","9.30687","0.00013","11.51291","0.00016","90","","92.307","0.0012","90","","1048.62","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","11-Aza:Sal","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C44 H58 N2 O14 -","2","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.028","0.0273","","","0.0674","0.068","","","","","","1.004","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229942","17.9674","0.0007","10.3025","0.0004","9.3723","0.0007","90","","90","","90","","1734.9","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Succ","","","- C34 H52 N2 O12 -","- C34 H52 N2 O12 -","- C68 H104 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0519","0.0455","","","0.1131","0.1171","","","","","","1.001","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229943","10.00907","0.0001","10.09992","0.0001","20.9254","0.0002","90","","90","","90","","2115.37","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Man","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0573","0.0576","","","","","","1","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229944","17.7811","0.0003","10.3174","0.0002","9.49693","0.00015","90","","90","","90","","1742.26","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:L-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C68 H104 N4 O26 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0268","0.0258","","","0.0743","0.0752","","","","","","1.002","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229945","17.5836","0.0007","10.3594","0.0004","9.9524","0.0003","90","","90","","90","","1812.88","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 2","P 2 2ab","18","11-Aza:Pim","","","- C37 H58 N2 O12 -","- C37 H58 N2 O12 -","- C74 H116 N4 O24 -","2","0.5","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0342","0.0312","","","0.0715","0.0729","","","","","","1.027","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229946","10.43733","0.00012","18.04445","0.00019","18.6345","0.0002","90","","90","","90","","3509.54","0.07","99.97","0.1","99.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C136 H208 N8 O52 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0715","0.0725","","","","","","1.001","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7229947","15.8663","0.0005","9.3487","0.0003","18.1863","0.0006","90","","116.073","0.001","90","","2423.04","0.14","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr Gd N8 O7 -","- C16 H20 Cr Gd N8 O7 -","- C64 H80 Cr4 Gd4 N32 O28 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0232","0.0194","","","0.0484","0.092","","","","","","1.388","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229948","15.8439","0.0018","9.3305","0.0011","18.178","0.002","90","","116.069","0.003","90","","2413.9","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cr N8 O7 Tb -","- C16 H20 Cr N8 O7 Tb -","- C64 H80 Cr4 N32 O28 Tb4 -","4","0.5","","Chorazy, Szymon; Rams, Michał; Wyczesany, Maciej; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Antiferromagnetic exchange and long-range magnetic ordering in supramolecular networks constructed of hexacyanido-bridged LnIII(3-pyridone)‒CrIII (Ln = Gd, Tb) chains","CrystEngComm","2018","20","9","1271","","10.1039/C7CE02077E","","x-ray","0.71075","MoKα","","0.0771","0.0504","","","0.1","0.1496","","","","","","1.301","","","","has coordinates","229077","2020-10-21","18:00:00",""
"7229949","5.7147","0.0004","8.3019","0.0006","20.1261","0.0014","90","","94.12","0.005","90","","952.37","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Böhnke, Hendrik; Bahrenburg, Julia; Ma, Xiaonan; Röttger, Katharina; Näther, Christian; Rode, Michał F; Sobolewski, Andrzej L.; Temps, Friedrich","Ultrafast dynamics of the ESIPT photoswitch N-(3-pyridinyl)-2-pyridinecarboxamide.","Physical chemistry chemical physics : PCCP","2018","20","4","2646","2655","10.1039/c7cp06145e","","","0.71073","MoKα","","0.0631","0.0456","","","0.0985","0.1058","","","","","","1.082","","","","has coordinates","230916","2020-10-21","18:00:00",""
"7229950","5.224","0.003","6.014","0.004","36.61","0.02","87.3","0.014","87.39","0.013","81.545","0.014","1135.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O2 S -","- C11 H12 N2 O2 S -","- C44 H48 N8 O8 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.0939","0.0654","","","0.1331","0.1426","","","","","","1.067","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229951","20.997","0.003","6.1061","0.0009","9.6195","0.0014","90","","95.637","0.005","90","","1227.3","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H14 N2 O3 S -","- C11 H14 N2 O3 S -","- C44 H56 N8 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1118","0.099","","","0.2565","0.2685","","","","","","1.11","","","","has coordinates,has disorder","229073","2020-10-21","18:00:00",""
"7229952","10.2301","0.0019","10.609","0.002","17.283","0.003","75.429","0.015","74.117","0.015","79.223","0.016","1732","0.6","213.5","0.1","213.5","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","2","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","x-ray","1.54184","CuKα","","0.1749","0.0802","","","0.1333","0.1934","","","","","","1.053","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229953","5.1859","0.0007","43.799","0.005","10.7366","0.0015","90","","104.691","0.012","90","","2359","0.5","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N6 O4 S -","- C23 H24 N6 O4 S -","- C92 H96 N24 O16 S4 -","4","1","","Chen, Xin; Li, Duanxiu; Luo, Chun; Wang, Jinqiu; Deng, Zongwu; Zhang, Hailu","Cocrystals of zileuton with enhanced physical stability","CrystEngComm","2018","20","7","990","","10.1039/C7CE02150J","","","0.71073","MoKα","","0.1654","0.0882","","","0.2056","0.2634","","","","","","1.056","","","","has coordinates","229073","2020-10-21","18:00:00",""
"7229954","19.0093","0.0009","19.6552","0.0009","19.068","0.0006","90","","107.888","0.001","90","","6780","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Mn N O7 S4 -","- C29 H39 Mn N O7 S4 -","- C232 H312 Mn8 N8 O56 S32 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1127","0.0634","","","0.1606","0.189","","","","","","1.028","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229955","18.6752","0.001","19.4783","0.001","19.3185","0.0009","90","","108.722","0.002","90","","6655.5","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O6 S4 Zn -","- C26 H32 O6 S4 Zn -","- C208 H256 O48 S32 Zn8 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1191","0.0833","","","0.2075","0.2273","","","","","","1.114","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229956","24.4001","0.0012","45.643","0.003","19.8706","0.001","90","","122.247","0.002","90","","18716.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 Co2 N6 O13 S8 -","- C81 H94 Co2 N6 O13 S8 -","- C648 H752 Co16 N48 O104 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2334","0.1025","","","0.2683","0.2991","","","","","","1.021","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229957","24.5031","0.0008","45.605","0.002","19.9347","0.0009","90","","122.298","0.001","90","","18829.7","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C80.75 H93.25 N6.25 Ni2 O11.5 S8 -","- C646 H746 N50 Ni16 O92 S64 -","8","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.2185","0.1203","","","0.2951","0.3364","","","","","","1.013","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229958","23.1233","0.0011","19.3037","0.001","21.8209","0.0012","90","","106.95","0.002","90","","9317","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H100 Mn2 N8 O11 S8 -","- C90 H100 Mn2 N8 O11 S8 -","- C360 H400 Mn8 N32 O44 S32 -","4","0.5","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.0838","0.0598","","","0.1586","0.1735","","","","","","1.165","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229959","15.6172","0.0011","25.956","0.002","22.5235","0.001","90","","92.578","0.002","90","","9120.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C76.25 H82.5 N5.5 O8.75 S8 Zn2 -","- C305 H330 N22 O35 S32 Zn8 -","4","1","","Ovsyannikov, A. S.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: high dimensional coordination networks based on methylenecarboxylate-appended tetramercaptothiacalix[4]arene in the 1,3-alternate conformation","CrystEngComm","2018","20","8","1130","","10.1039/C7CE02105D","","","0.71073","MoKα","","0.1505","0.0815","","","0.2212","0.2472","","","","","","1.039","","","","has coordinates","228940","2020-10-21","18:00:00",""
"7229960","15.4566","0.0007","10.6707","0.0005","16.0942","0.0007","90","","115.744","0.002","90","","2390.99","0.19","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","e{N(CH2CH2)2N}2C60?3I2?CS2?C6H6","","- C72 H19 I4 N4 S2 -","- C72 H19 I4 N4 S2 -","- C144 H38 I8 N8 S4 -","2","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","0.7749","synchrotron","","0.0502","0.0369","","","0.0869","0.0927","","","","","","1.055","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229961","15.8849","0.0008","18.9471","0.001","19.6812","0.0018","90","","90.063","0.002","90","","5923.5","0.7","90","2","90","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","{(e(N2C4H8)2C60)(Rh2(O2CCH3)4)2}n 0.5CS2","","","- C80.5 H34 N4 O12 Rh3 S -","- C80.5 H34 N4 O12 Rh3 S -","- C322 H136 N16 O48 Rh12 S4 -","4","0.5","","Aghabali, Amineh; Jun, Sharon; Olmstead, Marilyn M.; Balch, Alan L.","The directional character of the piperazine double addition product, e{N(CH2CH2)2N}2C60, as a building block for forming crystalline fullerene polymers","CrystEngComm","2018","20","7","924","","10.1039/C7CE02117H","","","1.54178","CuKα","","0.0799","0.0762","","","0.2016","0.2055","","","","","","1.154","","","","has coordinates,has disorder","229072","2020-10-21","18:00:00",""
"7229962","7.339","0.005","14.815","0.005","11.777","0.005","90","","97.495","0.005","90","","1269.5","1.1","133","2","133","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","HL30a","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.144","0.0757","","","0.1826","0.2103","","","","","","0.921","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229963","25.029","0.005","4.211","0.005","28.823","0.005","90","0.005","129.016","0.005","90","0.005","2360","3","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","HL30i","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C96 H112 N16 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0961","0.062","","","0.1646","0.2176","","","","","","1.038","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229964","12.3364","0.0008","13.4022","0.0011","8.6223","0.0005","90","","97.437","0.005","90","","1413.57","0.17","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30i(SCN)]2","","","- C26 H26 Cu2 N6 O6 S2 -","- C26 H26 Cu2 N6 O6 S2 -","- C52 H52 Cu4 N12 O12 S4 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.1126","0.0551","","","0.1208","0.1428","","","","","","0.857","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229965","6.028","0.0004","9.2207","0.0006","11.3737","0.0007","74.653","0.005","75.243","0.005","87.728","0.005","589.26","0.07","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30d","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C24 H26 N6 O4 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.056","0.0421","","","0.1119","0.1172","","","","","","1.029","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229966","7.3859","0.0005","9.1298","0.0007","10.3252","0.0007","94.11","0.006","96.016","0.006","105.895","0.006","662.26","0.08","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30aCl]","","","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","- C26 H30 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0701","0.0609","","","0.1635","0.1742","","","","","","1.069","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229967","7.5941","0.0005","9.0685","0.0006","10.0399","0.0006","90.393","0.005","96.377","0.005","110.15","0.005","644.33","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30iCl]","","","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","- C24 H26 Cl2 Cu2 N4 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0606","0.047","","","0.1161","0.1218","","","","","","0.942","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229968","7.6352","0.0005","9.0924","0.0006","9.5031","0.0006","91.652","0.005","98.15","0.005","107.858","0.005","619.77","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30bCl]","","","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","- C24 H26 Cl2 Cu2 N4 O4 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0563","0.0454","","","0.1123","0.1175","","","","","","0.962","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229969","10.9871","0.0005","20.1512","0.0012","13.951","0.0006","90","","94.232","0.003","90","","3080.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30cCl]","","","- C14 H17 Cl Cu N2 O4 -","- C14 H17 Cl Cu N2 O4 -","- C112 H136 Cl8 Cu8 N16 O32 -","8","2","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1126","0.0711","","","0.1847","0.2785","","","","","","0.956","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229970","8.7846","0.0004","18.8515","0.0006","9.028","0.0004","90","","99.363","0.003","90","","1475.14","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30bNO3]","","","- C12 H17 Cu N3 O7 -","- C12 H17 Cu N3 O7 -","- C48 H68 Cu4 N12 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0311","0.025","","","0.0639","0.0663","","","","","","1.03","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229971","9.0597","0.0006","14.5372","0.0007","11.8354","0.0008","90","","95.232","0.005","90","","1552.26","0.17","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dNO3]","","","- C12 H16 Cu N4 O7 -","- C12 H16 Cu N4 O7 -","- C48 H64 Cu4 N16 O28 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.041","0.0274","","","0.0578","0.0605","","","","","","0.906","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229972","12.9059","0.0007","18.9389","0.0013","7.6909","0.0004","90","","115.017","0.004","90","","1703.48","0.18","133","2","133","2","","","","","","","","6","C 1 c 1","C -2yc","9","[CuL30fCl]","","","- C18 H17 Cl Cu N2 O3 -","- C18 H17 Cl Cu N2 O3 -","- C72 H68 Cl4 Cu4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.026","0.024","","","0.0544","0.0552","","","","","","1.034","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229973","12.76","0.0018","16.897","0.003","13.781","0.002","90","","102.639","0.011","90","","2899.3","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30b]2SO4","","","- C26 H34 Cu2 N4 O10 S -","- C26 H34 Cu2 N4 O10 S -","- C104 H136 Cu8 N16 O40 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0742","0.0468","","","0.103","0.1117","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229974","20.5772","0.0011","19.5249","0.0015","7.1596","0.0004","90","","94.083","0.004","90","","2869.2","0.3","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aN3]","","","- C13 H15 Cu N5 O3 -","- C13 H15 Cu N5 O3 -","- C104 H120 Cu8 N40 O24 -","8","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0407","0.0271","","","0.0577","0.0609","","","","","","0.937","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229975","10.2653","0.0004","8.8823","0.0004","20.2634","0.0009","90","","97.713","0.003","90","","1830.89","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[CuL30fNO3]","","","- C36 H34 Cu2 N6 O12 -","- C36 H34 Cu2 N6 O12 -","- C72 H68 Cu4 N12 O24 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0487","0.0314","","","0.0687","0.0726","","","","","","0.913","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229976","7.5927","0.0005","23.9283","0.0012","8.5927","0.0005","90","","93.078","0.005","90","","1558.87","0.16","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30aOAc]","","","- C30 H36 Cu2 N4 O10 -","- C30 H36 Cu2 N4 O10 -","- C60 H72 Cu4 N8 O20 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0483","0.0307","","","0.0618","0.0652","","","","","","0.909","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229977","9.8474","0.0005","15.5449","0.0006","10.2348","0.0006","90","","92.59","0.004","90","","1565.11","0.14","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30bSCN]","","","- C14 H17 Cu N3 O3 S -","- C14 H17 Cu N3 O3 S -","- C56 H68 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0746","0.0659","","","0.1957","0.2042","","","","","","1.067","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229978","6.8193","0.0004","11.6812","0.0006","28.7206","0.0016","90","","95.047","0.004","90","","2278.9","0.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CuL30dOAc]","","","- C14 H29 Cu N3 O11 -","- C14 H15 Cu N3 O11 -","- C56 H60 Cu4 N12 O44 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0824","0.0567","","","0.1517","0.1665","","","","","","0.999","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229979","8.866","0.0006","8.8511","0.0006","12.762","0.0008","94.241","0.005","104.942","0.005","108.277","0.005","905.63","0.11","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30cOAc]","","","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","- C32 H44 Cu2 N4 O14 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0397","0.0309","","","0.0867","0.104","","","","","","1.14","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229980","10.3415","0.0007","9.206","0.0004","19.3186","0.0014","90","","98.818","0.005","90","","1817.5","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30fI]","","","- C36 H34 Cu2 I2 N4 O6 -","- C36 H34 Cu2 I2 N4 O6 -","- C72 H68 Cu4 I4 N8 O12 -","2","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1413","0.127","","","0.3393","0.3631","","","","","","1.372","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229981","12.7796","0.0005","13.8977","0.0008","16.9969","0.0006","90","","105.798","0.003","90","","2904.7","0.2","133","2","133","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[CuL30aNO3]","","","- C26 H30 Cu2 N6 O12 -","- C26 H30 Cu2 N6 O12 -","- C104 H120 Cu8 N24 O48 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0335","0.0251","","","0.067","0.0766","","","","","","1.076","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229982","5.9027","0.0005","16.4411","0.0012","15.7542","0.0013","90","","98.344","0.006","90","","1512.7","0.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[CuL30aSCN]","","","- C14 H15 Cu N3 O3 S -","- C14 H15 Cu N3 O3 S -","- C56 H60 Cu4 N12 O12 S4 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0517","0.0313","","","0.059","0.0632","","","","","","0.894","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229983","7.8179","0.0003","14.6683","0.0006","13.0905","0.0004","90","","92.391","0.003","90","","1499.85","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CuL30aI]","","","- C13 H15 Cu I N2 O3 -","- C13 H15 Cu I N2 O3 -","- C52 H60 Cu4 I4 N8 O12 -","4","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0273","0.0205","","","0.0458","0.0468","","","","","","0.936","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229984","8.7017","0.0004","18.0339","0.0011","21.7086","0.0012","90","","90","","90","","3406.6","0.3","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[CuL30iOAc]","","","- C28 H40 Cu2 N4 O14 -","- C28 H40 Cu2 N4 O14 -","- C112 H160 Cu8 N16 O56 -","4","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0985","0.0343","","","0.0531","0.0624","","","","","","0.728","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229985","7.3993","0.0004","9.3862","0.0005","10.6959","0.0005","105.369","0.004","99.166","0.004","97.86","0.004","694.52","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[CuL30bN3]","","","- C24 H30 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","- C24 H26 Cu2 N10 O6 -","1","0.5","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.0294","0.0256","","","0.0672","0.0686","","","","","","1.084","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229986","5.5863","0.0005","11.6567","0.0011","13.2094","0.0012","71.808","0.007","79.534","0.007","77.545","0.007","791.86","0.13","133","2","133","2","","","","","","","","4","P -1","-P 1","2","HL30f","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71069","MoKα","","0.0841","0.0512","","","0.1255","0.1397","","","","","","0.965","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229987","6.7842","0.0006","15.8946","0.0015","15.9754","0.0018","93.458","0.009","96.606","0.008","97.754","0.008","1690.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","[CuL30c]2SO4","","","- C29 H40 Cu2 N4 O14 S -","- C29 H38 Cu2 N4 O14 S -","- C58 H76 Cu4 N8 O28 S2 -","2","1","","Dankhoff, Katja; Weber, Birgit","Novel Cu(ii) complexes with NNO-Schiff base-like ligands ‒ structures and magnetic properties","CrystEngComm","2018","20","6","818","","10.1039/C7CE02007D","","","0.71073","MoKα","","0.1789","0.1353","","","0.3285","0.3733","","","","","","1.137","","","","has coordinates","229011","2020-10-21","18:00:00",""
"7229988","8.5849","0.0016","10.5243","0.0019","12.043","0.003","111.668","0.004","108.999","0.004","96.088","0.003","923.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl2 Cu N6 O8 -","- C32 H42 Cl2 Cu N6 O8 -","- C32 H42 Cl2 Cu N6 O8 -","1","0.5","","Li, Jie; Liu, Huiyu; Guo, Zhaoqi; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations","RSC Advances","2018","8","6","2933","","10.1039/C7RA10572J","","","0.71073","MoKα","","0.0436","0.0387","","","0.1177","0.122","","","","","","1.14","","","","has coordinates","205243","2020-10-21","18:00:00",""
"7229989","7.8341","0.0016","15.51","0.003","16.076","0.003","68.996","0.004","88.38","0.004","88.253","0.004","1822.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 Cl4 Cu N14 O18 -","- C58 H84 Cl4 Cu N14 O18 -","- C58 H84 Cl4 Cu N14 O18 -","1","0.5","","Li, Jie; Liu, Huiyu; Guo, Zhaoqi; Yang, Mingyan; Song, Jirong; Ma, Haixia","Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations","RSC Advances","2018","8","6","2933","","10.1039/C7RA10572J","","","0.71073","MoKα","","0.0766","0.0512","","","0.1276","0.1422","","","","","","0.999","","","","has coordinates","205243","2020-10-21","18:00:00",""
"7229990","12.261","0.003","12.784","0.004","13.598","0.004","74.133","0.008","70.006","0.008","64.47","0.007","1787.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","none","","","- C22 H32 Cl2 N16 Ni O7 -","- C22 H32 Cl2 N16 Ni O7 -","- C44 H64 Cl4 N32 Ni2 O14 -","2","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","x-ray","0.71073","MoKα","","0.1972","0.1218","","","0.3076","0.3581","","","","","","1.099","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7229991","11.3979","0.0006","12.0551","0.0007","13.6836","0.0007","97.586","0.002","103.997","0.002","106.156","0.002","1711.75","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","none","","","- C22 H39 Cl3 Cu2 N16 O9 -","- C22 H39 Cl3 Cu2 N16 O9 -","- C44 H78 Cl6 Cu4 N32 O18 -","2","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","x-ray","0.71073","MoKα","","0.0565","0.0386","","","0.0815","0.0886","","","","","","1.046","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7229992","12.4036","0.0008","19.8086","0.0013","14.3748","0.0009","90","","91.559","0.002","90","","3530.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","","","- C22 H33 Cl N16 O13 Zn -","- C22 H33 Cl N16 O13 Zn -","- C88 H132 Cl4 N64 O52 Zn4 -","4","1","","Yepremyan, Akop; Mehmood, Arshad; Brewer, Samantha; Barnett, Madalyn M.; Janesko, Benjamin G.; Akkaraju, Giridhar; Simanek, Eric E.; Green, Kayla N.","A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.","RSC advances","2018","8","6","3024","3035","10.1039/c7ra09459k","","","0.71073","MoKα","","0.1249","0.0864","","","0.1627","0.176","","","","","","1.193","","","","has coordinates,has disorder","230973","2020-10-21","18:00:00",""
"7229993","5.7343","0.0006","6.799","0.0007","6.9949","0.0007","90","","104.961","0.001","90","","263.47","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","L-malic acid","","- C4 H6 O5 -","- C4 H6 O5 -","- C8 H12 O10 -","2","1","","Yang, Jingxiang; Hu, Chunhua T.; Shtukenberg, Alexander G.; Yin, Qiuxiang; Kahr, Bart","l-Malic acid crystallization: polymorphism, semi-spherulites, twisting, and polarity","CrystEngComm","2018","20","10","1383","","10.1039/C7CE02107K","","","0.71073","MoKα","","0.0304","0.0294","","","0.0791","0.0798","","","","","","1.05","","","","has coordinates","228893","2020-10-21","18:00:00",""
"7229994","7.0637","0.0004","15.147","0.0008","15.4381","0.0008","69.624","0.001","81.819","0.001","86.324","0.001","1532.48","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","Theophylline:4chloro3nitrobenzoic acid","","","- C14 H12 Cl N5 O6 -","- C14 H12 Cl N5 O6 -","- C56 H48 Cl4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0384","0.0328","","","0.0866","0.0899","","","","","","1.053","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229995","10.191","0.003","10.459","0.003","12.777","0.003","98.98","0.005","108.898","0.005","108.434","0.005","1170.6","0.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:3,4 dichlorobenzoic acid","","","- C21 H16 Cl4 N4 O6 -","- C21 H16 Cl4 N4 O6 -","- C42 H32 Cl8 N8 O12 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0908","0.0442","","","0.1041","0.134","","","","","","1.013","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229996","42.668","0.006","4.9516","0.0008","16.838","0.003","90","","106.575","0.006","90","","3409.6","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Theophylline:acetazolamide","","","- C11 H14 N8 O5 S2 -","- C11 H14 N8 O5 S2 -","- C88 H112 N64 O40 S16 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0659","0.0403","","","0.1107","0.1371","","","","","","1.074","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229997","8.0218","0.0009","14.3076","0.0015","25.258","0.003","90","","90","","90","","2898.9","0.6","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","Theophylline:4hydroxy-benzamide","","","- C14 H15 N5 O4 -","- C14 H15 N5 O4 -","- C112 H120 N40 O32 -","8","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0598","0.0425","","","0.0902","0.0991","","","","","","1.02","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229998","7.203","0.004","14.913","0.009","16.014","0.01","63.098","0.01","86.349","0.012","84.677","0.012","1527","1.6","296","","296","","","","","","","","","5","P -1","-P 1","2","Theophylline:4-fluoro-3-nitrobenzoic acid","","","- C14 H12 F N5 O6 -","- C14 H12 F N5 O6 -","- C56 H48 F4 N20 O24 -","4","2","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.2024","0.1225","","","0.2934","0.3556","","","","","","1.065","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7229999","8.0597","0.0007","9.6051","0.0009","14.2402","0.0013","96.817","0.002","99.412","0.002","103.672","0.002","1042.4","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","Theophylline:picolinamide","","","- C20 H22 N10 O5 -","- C20 H22 N10 O5 -","- C40 H44 N20 O10 -","2","1","","Kakkar, Shubhangi; Bhattacharya, Biswajit; Reddy, C. Malla; Ghosh, Soumyajit","Tuning mechanical behaviour by controlling the structure of a series of theophylline co-crystals","CrystEngComm","2018","20","8","1101","","10.1039/C7CE01915G","","","0.71073","MoKα","","0.0419","0.0359","","","0.0897","0.0943","","","","","","1.038","","","","has coordinates","228941","2020-10-21","18:00:00",""
"7230000","15.609","0.004","5.0175","0.0012","14.758","0.004","90","","109.902","0.005","90","","1086.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 F3 N2 O3 -","- C10 H7 F3 N2 O3 -","- C40 H28 F12 N8 O12 -","4","1","","Tang, Cheng-Ke; Feng, Kai-Xiang; Xia, Ai-Bao; Li, Chen; Zheng, Ya-Yun; Xu, Zhen-Yuan; Xu, Dan-Qian","Asymmetric synthesis of polysubstituted chiral chromans via an organocatalytic oxa-Michael-nitro-Michael domino reaction","RSC Advances","2018","8","6","3095","","10.1039/C7RA13525D","","","0.71073","MoKα","","0.0807","0.0643","","","0.159","0.1769","","","","","","1.082","","","","has coordinates,has disorder","205351","2020-10-21","18:00:00",""
"7230001","6.9852","0.0002","17.8187","0.0006","8.5879","0.0002","90","","102.313","0.002","90","","1044.32","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H5 Cu5 I4 N10 -","- C6 H5 Cu5 I4 N10 -","- C12 H10 Cu10 I8 N20 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0395","0.0372","","","0.0961","0.0982","","","","","","1.109","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230002","9.0012","0.0006","14.3269","0.001","12.5315","0.0007","90","","94.3","0.006","90","","1611.5","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H16 Cu6 I4 N20 -","- C12 H16 Cu6 I4 N20 -","- C24 H32 Cu12 I8 N40 -","2","1","","Liu, Juan; Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Syntheses of copper‒iodine cluster-based frameworks for photocatalytic degradation of methylene blue","CrystEngComm","2018","20","9","1232","","10.1039/C7CE02192E","","","0.71073","MoKα","","0.0612","0.0529","","","0.1304","0.1364","","","","","","1.054","","","","has coordinates","229079","2020-10-21","18:00:00",""
"7230003","20.9377","0.0011","12.3747","0.0006","40.8557","0.0019","90","","100.209","0.006","90","","10418","0.9","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Cl2 N18 Ni O18 -","- C42 H54 Cl2 N18 Ni O18 -","- C336 H432 Cl16 N144 Ni8 O144 -","8","2","","Tayade, Sakharam B.; Bhat, Satish S.; Illathvalappil, Rajith; Dhavale, Vishal M.; Kawade, Vitthal A.; Kumbhar, Avinash S.; Kurungot, Sreekumar; Näther, Christian","Water mediated proton conductance in a hydrogen-bonded Ni(ii)-bipyridine-glycoluril chloride self-assembled framework","CrystEngComm","2018","20","8","1094","","10.1039/C7CE01814B","","","0.71073","MoKα","","0.0571","0.0437","","","0.1194","0.1281","","","","","","1.016","","","","has coordinates","228935","2020-10-21","18:00:00",""
"7230004","9.746","0.002","19.123","0.004","19.154","0.004","90","","90","","90","","3569.8","1.3","153","2","153","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C25 H18 Fe N2 -","- C25 H17 Fe N2 -","- C200 H136 Fe8 N16 -","8","1","","Wu, Pei; Wang, Guo; Zhou, Lu; Lu, Jing; Wang, Jianchun","The first colorimetric receptor for the B4O72− anion based on nitro substituted phenanthroimidazole ferrocene derivatives","RSC Advances","2018","8","7","3782","","10.1039/C7RA12700F","","","0.71073","MoKα","","0.0724","0.0541","","","0.1115","0.1207","","","","","","1.003","","","","has coordinates","205428","2020-10-21","18:00:00",""
"7230005","12.3089","0.0003","21.3544","0.0005","15.6623","0.0004","90","","92.315","0.001","90","","4113.46","0.17","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co4 H52 K10 O94 V2 W18 -","- Co4 H4 K10 O94 V2 W18 -","- Co8 H8 K20 O188 V4 W36 -","2","0.5","","Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F.","Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering.","Physical chemistry chemical physics : PCCP","2018","20","6","4554","4562","10.1039/c7cp06786k","","","0.71073","MoKα","","0.0272","0.0243","","","0.059","0.0604","","","","","","1.054","","","","has coordinates,has disorder","230923","2020-10-21","18:00:00",""
"7230006","11.4798","0.0002","13.277","0.0003","18.2209","0.0004","71.135","0.002","73.672","0.002","73.251","0.002","2461.78","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Co4 H20 Na10 O108 P2 W18 -","- Co4 Na10 O108 P2 W18 -","- Co4 Na10 O108 P2 W18 -","1","0.5","","Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F.","Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering.","Physical chemistry chemical physics : PCCP","2018","20","6","4554","4562","10.1039/c7cp06786k","","","0.71073","MoKα","","0.0602","0.0477","","","0.1161","0.1211","","","","","","0.998","","","","has coordinates","230923","2020-10-21","18:00:00",""
"7230007","22.015","0.001","12.2707","0.0006","21.9979","0.0015","90","","115.613","0.001","90","","5358.6","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H47 Cd2 N9 O10 -","- C62 H47 Cd2 N9 O10 -","- C248 H188 Cd8 N36 O40 -","4","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0329","0.0266","","","0.0712","0.0746","","","","","","1.07","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230008","11.6567","0.0005","27.1818","0.0011","11.3231","0.0005","90","","99.419","0.001","90","","3539.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Cd2 N12 O14 -","- C74 H68 Cd2 N12 O14 -","- C148 H136 Cd4 N24 O28 -","2","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0488","0.0367","","","0.0841","0.0889","","","","","","1.084","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230009","30.643","0.003","10.5532","0.001","31.782","0.004","90","","116.594","0.002","90","","9190.3","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H98 N12 O20 Zn3 -","- C70 H42 N4 O12 Zn3 -","- C280 H168 N16 O48 Zn12 -","4","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0704","0.0446","","","0.1055","0.1114","","","","","","0.925","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230010","9.9983","0.0005","10.228","0.0005","14.6829","0.0008","92.254","0.001","97.61","0.001","92.017","0.001","1485.9","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Cd2 F12 N8 O9 -","- C66 H40 Cd2 F12 N8 O9 -","- C66 H40 Cd2 F12 N8 O9 -","1","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0484","0.0352","","","0.0744","0.0814","","","","","","1.025","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230011","10.6823","0.0007","15.8149","0.0009","15.9776","0.001","63.889","0.001","79.164","0.001","72.15","0.001","2302.6","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H86 Cd3 N14 O22 P2 -","- C96 H74 Cd3 N14 O22 P2 -","- C96 H74 Cd3 N14 O22 P2 -","1","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0578","0.0472","","","0.123","0.1295","","","","","","1.061","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230012","11.376","0.002","17.593","0.003","11.651","0.002","90","","114.192","0.004","90","","2127","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cd2 N8 O10 S2 -","- C44 H28 Cd2 N8 O10 S2 -","- C88 H56 Cd4 N16 O20 S4 -","2","0.5","","Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.","Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes","RSC Advances","2018","8","8","4039","","10.1039/C7RA11754J","","","0.71073","MoKα","","0.0724","0.039","","","0.0698","0.082","","","","","","1.02","","","","has coordinates","205530","2020-10-21","18:00:00",""
"7230013","14.9687","0.0005","15.0798","0.0005","21.8498","0.0008","86.944","0.002","88.681","0.002","85.622","0.002","4909.8","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 Mo12 N6 O40 P -","- C18 H33 Mo12 N6 O40 P -","- C72 H132 Mo48 N24 O160 P4 -","4","2","","Megías-Sayago, Cristina; Álvarez, Eleuterio; Ivanova, Svetlana; Odriozola, José Antonio","Epimerization of glucose over ionic liquid/phosphomolybdate hybrids: structure‒activity relationship","Green Chemistry","2018","20","5","1042","","10.1039/C7GC03738D","","","0.71073","MoKα","","0.1035","0.08","","","0.1907","0.2023","","","","","","1.08","","","","has coordinates","230092","2020-10-21","18:00:00",""
"7230014","12.9158","0.0005","21.2163","0.0008","21.6946","0.0008","95.876","0.002","105.285","0.002","101.08","0.002","5553.7","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 Mo12 N6 O40 P -","- C24 H45 Mo12 N6 O40 P -","- C96 H180 Mo48 N24 O160 P4 -","4","2","","Megías-Sayago, Cristina; Álvarez, Eleuterio; Ivanova, Svetlana; Odriozola, José Antonio","Epimerization of glucose over ionic liquid/phosphomolybdate hybrids: structure‒activity relationship","Green Chemistry","2018","20","5","1042","","10.1039/C7GC03738D","","","0.71073","MoKα","","0.0664","0.0538","","","0.1109","0.1156","","","","","","1.17","","","","has coordinates","230092","2020-10-21","18:00:00",""
"7230015","22.3846","0.0003","20.969","0.0004","26.0718","0.0005","90","","90","","90","","12237.7","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H57 Mo12 N6 O40 P -","- C30 H57 Mo12 N6 O40 P -","- C240 H456 Mo96 N48 O320 P8 -","8","1","","Megías-Sayago, Cristina; Álvarez, Eleuterio; Ivanova, Svetlana; Odriozola, José Antonio","Epimerization of glucose over ionic liquid/phosphomolybdate hybrids: structure‒activity relationship","Green Chemistry","2018","20","5","1042","","10.1039/C7GC03738D","","","0.71073","MoKα","","0.0433","0.0352","","","0.0769","0.0817","","","","","","1.051","","","","has coordinates","230092","2020-10-21","18:00:00",""
"7230016","12.446","0.003","15.594","0.003","25.49","0.005","90","","90","","90","","4947.2","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O6 -","- C19 H27 Cl O6 -","- C152 H216 Cl8 O48 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.1298","0.0566","","","0.1465","0.1661","","","","","","0.861","","","","has coordinates","205628","2020-10-21","18:00:00",""
"7230017","7.7241","0.0004","16.3543","0.0007","22.3393","0.0009","90","","90","","90","","2822","0.2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl O5.5 -","- C14 H16 Cl O5.5 -","- C112 H128 Cl8 O44 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.089","0.0495","","","0.1039","0.1209","","","","","","1.03","","","","has coordinates","205628","2020-10-21","18:00:00",""
"7230018","9.0471","0.0006","12.5948","0.0009","18.3765","0.0012","102.293","0.002","90.06","0.002","102.35","0.002","1996.2","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N2 O12 Ru2 -","- C42 H32 N2 O12 Ru2 -","- C84 H64 N4 O24 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0461","0.0341","","","0.0743","0.0823","","","","","","1.085","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230019","6.5834","0.0004","12.571","0.0008","20.2038","0.0013","97.333","0.002","94.773","0.002","102.775","0.002","1606.57","0.18","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H30 O3 -","- C45 H30 O3 -","- C90 H60 O6 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0641","0.0522","","","0.1347","0.1424","","","","","","1.07","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230020","18.0137","0.0009","9.0328","0.0005","15.9733","0.0008","90","","90.808","0.002","90","","2598.8","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H9 Cl O11 Ru3 -","- C25 H9 Cl O11 Ru3 -","- C100 H36 Cl4 O44 Ru12 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0217","0.0174","","","0.0373","0.0389","","","","","","1.05","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230021","12.3207","0.0004","12.5368","0.0004","24.013","0.0008","85.154","0.001","84.179","0.001","80.72","0.001","3632.9","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 Cl2 O3 -","- C46 H32 Cl2 O3 -","- C184 H128 Cl8 O12 -","4","2","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0607","0.0514","","","0.124","0.1301","","","","","","1.056","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230022","36.9032","0.0008","36.9032","0.0008","8.9609","0.0004","90","","90","","90","","12203.4","0.7","153","2","153","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C27 H12 O13 Ru3 -","- C27 H12 O13 Ru3 -","- C432 H192 O208 Ru48 -","16","","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0198","0.0187","","","0.0456","0.0462","","","","","","1.113","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230023","8.7751","0.0004","31.4886","0.0014","12.3317","0.0004","90","","131.32","0.002","90","","2559.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H10 O11 Ru3 -","- C25 H10 O11 Ru3 -","- C100 H40 O44 Ru12 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0377","0.0309","","","0.0519","0.0532","","","","","","1.266","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230024","9.5241","0.0003","11.9434","0.0004","14.5637","0.0005","81.291","0.001","76.006","0.001","82.181","0.001","1580.36","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H20 O8 Ru2 -","- C36 H20 O8 Ru2 -","- C72 H40 O16 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0259","0.0209","","","0.0484","0.0511","","","","","","1.039","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230025","11.5941","0.0005","17.5267","0.0008","19.7395","0.0009","113.011","0.001","91.468","0.001","108.137","0.001","3458.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73.5 H47 Cl3 N4 O16 Ru4 -","- C73.5 H47 Cl3 N4 O16 Ru4 -","- C147 H94 Cl6 N8 O32 Ru8 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0369","0.0341","","","0.0845","0.0867","","","","","","1.026","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230026","11.8853","0.0006","29.8669","0.0014","12.3141","0.0006","90","","115.109","0.002","90","","3958.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H29 Cl2 N3 O9 -","- C46 H29 Cl2 N3 O9 -","- C184 H116 Cl8 N12 O36 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.1098","0.0925","","","0.2251","0.2378","","","","","","1.082","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230027","12.9086","0.0009","18.4204","0.0013","15.3269","0.0012","90","","99.825","0.003","90","","3591","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H25 Cl2 O8 Ru2 -","- C39 H25 Cl2 O8 Ru2 -","- C156 H100 Cl8 O32 Ru8 -","4","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0571","0.0495","","","0.1451","0.1509","","","","","","1.104","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230028","13.2308","0.0005","16.6116","0.0006","17.2975","0.0006","66.867","0.001","81.114","0.001","68.604","0.001","3254.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N2 O8 Ru2 -","- C36 H22 N2 O8 Ru2 -","- C144 H88 N8 O32 Ru8 -","4","2","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0282","0.0234","","","0.0667","0.0831","","","","","","1.38","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230029","10.8943","0.0004","11.5559","0.0004","17.671","0.0007","102.054","0.001","94.251","0.001","115.128","0.001","1936.13","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H26 Cl2 O12 Ru2 -","- C41 H26 Cl2 O12 Ru2 -","- C82 H52 Cl4 O24 Ru4 -","2","1","","Xu, Lei; Li, Shasha; Jiang, Liping; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Electronic and steric effects of substituents in 1,3-diphenylprop-2-yn-1-one during its reaction with Ru3(CO)12","RSC Advances","2018","8","8","4354","","10.1039/C7RA13626A","","","0.71073","MoKα","","0.0276","0.0251","","","0.0604","0.0623","","","","","","1.052","","","","has coordinates","205629","2020-10-21","18:00:00",""
"7230030","11.438","0.002","19.463","0.004","13.64","0.003","90","","96.47","0.03","90","","3017.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Eu N11 O15 -","- C24 H18 Eu N11 O15 -","- C96 H72 Eu4 N44 O60 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0358","0.0348","","","0.0956","0.0963","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230031","11.434","0.002","19.348","0.004","13.721","0.003","90","","96.62","0.03","90","","3015.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N11 O15 Tb -","- C24 H16 N11 O15 Tb -","- C96 H64 N44 O60 Tb4 -","4","0.5","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0437","0.043","","","0.1238","0.1245","","","","","","1.007","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230032","10.569","0.002","12.133","0.002","12.816","0.003","111.04","0.03","91.13","0.03","101.65","0.03","1494.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N11 O15 Y -","- C24 H16 N11 O15 Y -","- C48 H32 N22 O30 Y2 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0511","0.0454","","","0.1193","0.1232","","","","","","1.002","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230033","10.564","0.002","12.125","0.002","12.807","0.003","111.07","0.03","91.16","0.03","101.61","0.03","1491.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Er N11 O15 -","- C24 H16 Er N11 O15 -","- C48 H32 Er2 N22 O30 -","2","1","","Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian","Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine","CrystEngComm","2018","20","8","1123","","10.1039/C7CE02098H","","","0.71073","MoKα","","0.0334","0.0303","","","0.0728","0.0746","","","","","","1.009","","","","has coordinates","228938","2020-10-21","18:00:00",""
"7230034","32.227","0.009","14.685","0.006","14.001","0.006","90","","90","","90","","6626","4","100","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C8 H20 Cl5 In N2 O2 -","- C8 H20 Cl5 In N2 O2 -","- C128 H320 Cl80 In16 N32 O32 -","16","2","","Owczarek, Magdalena; Szklarz, Przemysław; Moskwa, Marcin; Jakubas, Ryszard","Morpholinium chloroindate(iii) complex: a rare acentric structural arrangement leading to piezoelectric properties","CrystEngComm","2018","20","6","703","","10.1039/C7CE01756A","","","0.71073","MoKα","","0.0216","0.0194","","","0.0426","0.043","","","","","","0.985","","","","has coordinates","229006","2020-10-21","18:00:00",""
"7230035","40.012","0.008","16.186","0.003","10.282","0.002","90","","93.64","0.03","90","","6646","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H80 N22 O12 S5 -","- C53 H80 N22 O12 S5 -","- C212 H320 N88 O48 S20 -","4","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0635","0.0486","","","0.117","0.1265","","","","","","1.083","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230036","7.9117","0.0016","9.6617","0.0019","12.132","0.002","90","","94.67","0.03","90","","924.3","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C40 H56 N8 O8 -","2","0.5","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0539","0.0396","","","0.0995","0.1081","","","","","","1.057","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230037","8.5271","0.0017","11.207","0.002","15.059","0.003","90","","90","","90","","1439.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C44 H72 N16 O8 S4 -","4","1","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0609","0.0429","","","0.0873","0.0958","","","","","","0.963","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230038","12.177","0.002","10.283","0.002","24.918","0.005","90","","90","","90","","3120.1","1","113","2","113","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.085","0.0732","","","0.1818","0.1908","","","","","","1.052","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230039","15.286","0.003","10.958","0.002","16.735","0.003","90","","91.88","0.03","90","","2801.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C88 H144 N32 O16 S8 -","8","2","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0922","0.0546","","","0.1285","0.1482","","","","","","0.989","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230040","7.9873","0.001","7.9532","0.001","12.6983","0.0016","90","","90.639","0.003","90","","806.6","0.18","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Wang, Hui; Liu, Ju; Wang, Weizhou","Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.","Physical chemistry chemical physics : PCCP","2018","20","7","5227","5234","10.1039/c7cp08215k","","","0.71073","MoKα","","0.034","0.024","","","0.056","0.0602","","","","","","1.059","","","","has coordinates","230933","2020-10-21","18:00:00",""
"7230041","3.9678","0.0004","6.9334","0.0007","14.5948","0.0014","90","","94.469","0.002","90","","400.29","0.07","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C14 H8 N4 O4 Se2 -","2","1","","Wang, Hui; Liu, Ju; Wang, Weizhou","Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.","Physical chemistry chemical physics : PCCP","2018","20","7","5227","5234","10.1039/c7cp08215k","","","0.71073","MoKα","","0.0211","0.0206","","","0.0527","0.053","","","","","","1.137","","","","has coordinates","230933","2020-10-21","18:00:00",""
"7230042","3.9951","0.0003","6.9821","0.0006","14.3544","0.0013","90","","91.94","0.002","90","","400.17","0.06","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C14 H8 N4 O4 Se2 -","2","1","","Wang, Hui; Liu, Ju; Wang, Weizhou","Intermolecular and very strong intramolecular C-SeO/N chalcogen bonds in nitrophenyl selenocyanate crystals.","Physical chemistry chemical physics : PCCP","2018","20","7","5227","5234","10.1039/c7cp08215k","","","0.71073","MoKα","","0.0199","0.0173","","","0.0524","0.0769","","","","","","1.298","","","","has coordinates","230933","2020-10-21","18:00:00",""
"7230043","12.6326","0.0013","14.5578","0.0013","7.3585","0.0007","90","","106.635","0.003","90","","1296.6","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl 2-(5-(4-nitrophenyl)isoxazol-4-yl)-2-ox","ethyl 2-(5-(4-nitrophenyl)isoxazol-4-yl)-2-oxoacetate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","0.71073","MoKα","","0.0777","0.0563","","","0.1607","0.1774","","","","","","0.974","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230044","5.8104","0.0005","8.2881","0.0008","13.119","0.0012","89.312","0.003","82.695","0.003","85.322","0.003","624.56","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ethyl 4-formyl-5-(4-nitrophenyl)isozaxole-3-carboxylate","ethyl 4-formyl-5-(4-nitrophenyl)isozaxole-3-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","0.71073","MoKα","","0.1191","0.056","","","0.1229","0.1556","","","","","","1.045","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230045","6.6907","0.0015","8.7715","0.0016","12.002","0.004","97.212","0.018","93.54","0.02","107.759","0.018","661.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","ethyl 4-(4-nitrobenzoyl)isoxazol-5-carboxylate","ethyl 4-(4-nitrobenzoyl)isoxazol-5-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","1.54178","CuKα","","0.0852","0.06","","","0.1637","0.1853","","","","","","1.062","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230046","7.3487","0.0002","17.1804","0.0004","10.4508","0.0003","90","","98.167","0.001","90","","1306.07","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ethyl4-(4-nitrobenzoyl)isoxazole-3-carboxylate","ethyl4-(4-nitrobenzoyl)isoxazole-3-carboxylate","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C52 H40 N8 O24 -","4","1","","Silva, Raí G. M.; da Silva, Michael J. V.; Jacomini, Andrey P.; Moura, Sidnei; Back, Davi F.; Basso, Ernani A.; Rosa, Fernanda A.","Development of methodologies for the regioselective synthesis of four series of regioisomer isoxazoles from β-enamino diketones","RSC Advances","2018","8","9","4773","","10.1039/C7RA13343J","","","1.54178","CuKα","","0.0457","0.0403","","","0.1041","0.1095","","","","","","1.05","","","","has coordinates","205690","2020-10-21","18:00:00",""
"7230047","10.426","0.002","12.933","0.003","16.851","0.004","90","","100.581","0.003","90","","2233.5","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhao, Hai-Yuan; Wu, Fu-Song; Yang, Li; Liang, Ying; Cao, Xiao-Lin; Wang, Heng-Shan; Pan, Ying-Ming","Catalyst- and solvent-free approach to 2-arylated quinolines via [5 + 1] annulation of 2-methylquinolines with diynones","RSC Advances","2018","8","9","4584","","10.1039/C7RA12716B","","","0.71073","MoKα","","0.0473","0.0367","","","0.0983","0.1073","","","","","","1.045","","","","has coordinates","205691","2020-10-21","18:00:00",""
"7230048","7.4861","0.0003","7.4773","0.0003","27.3003","0.001","90","","95.532","0.004","90","","1521.04","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0482","0.041","","","0.104","0.1111","","","","","","1.052","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230049","21.9366","0.0003","18.2644","0.0003","18.6976","0.0003","90","","103.484","0.0015","90","","7284.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H73 Cu4 N15 O14 -","- C78 H73 Cu4 N15 O14 -","- C312 H292 Cu16 N60 O56 -","4","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.032","0.028","","","0.0739","0.076","","","","","","1.039","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230050","6.8165","0.0003","12.1809","0.0006","13.8681","0.0005","97.444","0.003","98.421","0.003","102.838","0.004","1094.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Cu N3 O5 -","- C23 H27 Cu N3 O5 -","- C46 H54 Cu2 N6 O10 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.076","0.0561","","","0.1331","0.1424","","","","","","1.048","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230051","13.8963","0.0003","13.7996","0.0003","20.7755","0.0005","90","","107.426","0.002","90","","3801.13","0.15","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 Co N9 O4 -","- C42 H41 Co N9 O4 -","- C168 H164 Co4 N36 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.0536","0.0383","","","0.0869","0.0953","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230052","13.915","0.0002","13.7467","0.0002","20.8267","0.0004","90","","107.393","0.0019","90","","3801.7","0.11","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 N9 Ni O4 -","- C42 H41 N9 Ni O4 -","- C168 H164 N36 Ni4 O16 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0458","0.0377","","","0.0985","0.106","","","","","","1.024","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230053","13.4231","0.0004","30.1689","0.0009","14.2158","0.0004","90","","90","","90","","5756.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H64 Cl Cu2 N7 O13 -","- C64 H64 Cl Cu2 N7 O13 -","- C256 H256 Cl4 Cu8 N28 O52 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71075","MoKα","","0.0809","0.0642","","","0.1494","0.1589","","","","","","1.027","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230054","20.7411","0.001","35.8785","0.0014","18.2934","0.0008","90","","109.654","0.005","90","","12820.1","1.1","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C205 H227 Cl3 N37 Ni10 O51 -","- C205 H227 Cl3 N37 Ni10 O51 -","- C410 H454 Cl6 N74 Ni20 O102 -","2","0.5","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.1445","0.0902","","","0.2336","0.268","","","","","","1.016","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230055","14.8923","0.0004","17.0968","0.0007","17.3958","0.0006","87.743","0.003","85.594","0.002","79.606","0.003","4342.1","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 Cl2 N14 Ni4 O21 -","- C86 H90 Cl2 N14 Ni4 O21 -","- C172 H180 Cl4 N28 Ni8 O42 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0639","0.0529","","","0.1308","0.1419","","","","","","1.053","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230056","15.2703","0.0007","28.8077","0.0012","22.7473","0.0009","90","","107.926","0.005","90","","9520.8","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H108 Cl2 N12 Ni4 O25 -","- C86 H108 Cl2 N12 Ni4 O25 -","- C344 H432 Cl8 N48 Ni16 O100 -","4","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","1.54184","CuKα","","0.0941","0.0754","","","0.219","0.2432","","","","","","1.085","","","","has coordinates,has disorder","228895","2020-10-21","18:00:00",""
"7230057","13.663","0.0008","14.4902","0.0008","15.6628","0.0008","70.842","0.005","67.379","0.005","68.614","0.005","2600.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N7 Ni2 O14 -","- C45 H44 Cl N7 Ni2 O14 -","- C90 H88 Cl2 N14 Ni4 O28 -","2","1","","Sampani, Stavroula I.; Loukopoulos, Edward; Azam, Mohammad; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham; Coles, Simon; Escuer, Albert; Tsipis, Athanassios; Kostakis, George E.","Polynuclear ampyrone based 3d coordination clusters","CrystEngComm","2018","20","10","1411","","10.1039/C7CE02093G","","x-ray","0.71073","MoKα","","0.1176","0.0677","","","0.156","0.181","","","","","","0.978","","","","has coordinates","228895","2020-10-21","18:00:00",""
"7230058","7.9842","0.0009","6.081","0.002","20.127","0.002","90","","100.17","0.011","90","","961.9","0.3","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C44 H42 N2 O6 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0813","0.0621","","","0.1625","0.1849","","","","","","0.99","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230059","15.5556","0.0011","7.0185","0.0005","7.331","0.0005","90","","94.221","0.006","90","","798.21","0.1","294","2","294","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0737","0.0712","","","0.2176","0.2227","","","","","","1.139","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230060","19.4865","0.0005","6.1772","0.0001","15.7523","0.0004","90","","109.925","0.003","90","","1782.63","0.08","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O2 S -","- C21 H18 F N O2 S -","- C84 H72 F4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0542","0.0492","","","0.1395","0.1473","","","","","","1.071","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230061","7.9693","0.0002","6.1218","0.0002","19.328","0.0005","90","","101.204","0.002","90","","924.97","0.05","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C44 H42 N2 O4 S2 -","2","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54178","CuKα","","0.0345","0.0307","","","0.0818","0.0845","","","","","","1.04","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230062","8.4634","0.0002","9.3587","0.0002","25.6617","0.0007","90","","90","","90","","2032.57","0.09","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0349","0.0325","","","0.0859","0.0885","","","","","","1.028","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230063","20.5689","0.0008","10.9975","0.0006","7.9534","0.0003","90","","91.984","0.004","90","","1798.03","0.14","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O2 S -","- C21 H18 F N O2 S -","- C84 H72 F4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54178","CuKα","","0.0603","0.0414","","","0.107","0.1312","","","","","","1.057","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230064","7.5142","0.0002","12.7251","0.0004","18.022","0.0005","88.481","0.002","84.657","0.002","89.958","0.002","1715.15","0.09","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl N O2 S -","- C20 H16 Cl N O2 S -","- C80 H64 Cl4 N4 O8 S4 -","4","2","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0506","0.0465","","","0.1196","0.1257","","","","","","1.045","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230065","7.08143","0.00009","9.08409","0.00011","29.0369","0.0003","90","","90","","90","","1867.9","0.04","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl N O2 S -","- C21 H18 Cl N O2 S -","- C84 H72 Cl4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0923","0.0935","","","","","","1.03","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230066","13.463","0.002","13.599","0.002","14.644","0.002","73.288","0.002","68.72","0.002","60.714","0.002","2158.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H38 N4 -","- C56 H38 N4 -","- C112 H76 N8 -","2","1","","Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Tian, Yupeng; Yang, Jiaxiang","Two novel AIEE-active imidazole/ α-cyanostilbene derivatives: photophysical properties, reversible fluorescence switching, and detection of explosives","CrystEngComm","2018","20","9","1237","","10.1039/C7CE01842H","","","0.71073","MoKα","","0.2078","0.1772","","","0.4773","0.5093","","","","","","2.049","","","","has coordinates","229076","2020-10-21","18:00:00",""
"7230067","7.173","0.003","11.186","0.005","5.156","0.002","90","","131.082","0.003","90","","311.8","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Nb O4 Tb -","- Nb O4 Tb -","- Nb4 O16 Tb4 -","4","0.5","","Guo, Jiayi; Ren, Junyu; Cheng, Rui; Dong, Qing; Gao, Cunyuan; Zhang, Xuzhao; Guo, Shiyi","Growth, structural and thermophysical properties of TbNbO4 crystals","CrystEngComm","2018","20","10","1455","","10.1039/C7CE02072D","","","0.71073","MoKα","","0.0249","0.0249","","","0.0644","0.0644","","","","","","1.143","","","","has coordinates","228894","2020-10-21","18:00:00",""
"7230068","15.6204","0.0007","11.7065","0.0005","15.7573","0.0007","90","","97.221","0.002","90","","2858.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S107","","","- C30 H30 Mn N3 O3 S2 -","- C30 H30 Mn N3 O3 S2 -","- C120 H120 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0478","0.0338","","","0.0704","0.075","","","","","","1.061","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230069","11.0249","0.0004","11.9113","0.0005","11.9381","0.0005","114.849","0.001","106.773","0.001","95.718","0.001","1317.3","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","S106","","","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","- C46 H62 Mn2 N6 O13 S2 Se2 -","1","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0373","0.0281","","","0.0629","0.0661","","","","","","1.022","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230070","13.8991","0.0004","11.8029","0.0004","14.2659","0.0005","90","","92.954","0.003","90","","2337.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Mn N3 O3 S2 -","- C22 H26 Mn N3 O3 S2 -","- C88 H104 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0543","0.0423","","","0.0982","0.1043","","","","","","1.024","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230071","9.867","0.0003","12.1265","0.0005","18.8346","0.0007","90","","90","","90","","2253.6","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Mn N5 O3 S -","- C21 H26 Mn N5 O3 S -","- C84 H104 Mn4 N20 O12 S4 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0828","0.0566","","","0.08","0.088","","","","","","0.949","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230072","13.3075","0.0015","10.978","0.0011","18.002","0.002","90","","91.781","0.004","90","","2628.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","S120","","","- C31 H24 Mn N3 O3 S2 -","- C31 H24 Mn N3 O3 S2 -","- C124 H96 Mn4 N12 O12 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0439","0.0383","","","0.1002","0.105","","","","","","1.06","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230073","15.3576","0.001","17.1311","0.0011","12.1008","0.0008","90","","123.884","0.002","90","","2642.9","0.3","110","2","110","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","S110","","","- C22 H30 Cl Mn N2 O10 S -","- C21.5 H30 Cl Mn N2 O10 S -","- C86 H120 Cl4 Mn4 N8 O40 S4 -","4","0.5","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0479","0.0427","","","0.1056","0.1075","","","","","","1.116","","","","has coordinates,has disorder","228939","2020-10-21","18:00:00",""
"7230074","12.5031","0.0006","14.6639","0.0007","15.1065","0.0008","90","","90.903","0.004","90","","2769.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Mn N3 O5 S2 -","- C26 H34 Mn N3 O5 S2 -","- C104 H136 Mn4 N12 O20 S8 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.1621","0.0827","","","0.1056","0.1282","","","","","","0.992","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230075","9.5772","0.001","10.5178","0.0011","11.9976","0.0011","89.889","0.003","67.004","0.002","70.688","0.003","1038.57","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C52 H52 N4 O4 -","2","1","","Chen, Long; Liu, Kai; Sun, Jiangtao","Catalyst-free synthesis of tetrahydropyrimidines via formal [3+3]-cycloaddition of imines with 1,3,5-hexahydro-1,3,5-triazines","RSC Advances","2018","8","10","5532","","10.1039/C7RA11973A","","","0.71073","MoKα","","0.0433","0.0387","","","0.1064","0.1099","","","","","","1.071","","","","has coordinates","206074","2020-10-21","18:00:00",""
"7230076","8.1945","0.0012","8.1945","0.0012","8.0541","0.0016","90","","90","","120","","468.37","0.13","293","2","293","2","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- C8 H8 -","- C8 H8 -","- C24 H24 -","3","0.0833333","","Ward, Matthew D.; Huang, Haw-Tyng; Zhu, Li; Biswas, Arani; Popov, Dmitry; Badding, John V.; Strobel, Timothy A.","Chemistry through cocrystals: pressure-induced polymerization of C<sub>2</sub>H<sub>2</sub>·C<sub>6</sub>H<sub>6</sub> to an extended crystalline hydrocarbon.","Physical chemistry chemical physics : PCCP","2018","20","10","7282","7294","10.1039/c7cp07852h","","","0.31","synchrotron","","0.0515","0.035","","","0.0338","0.0355","","","","","","1.063","","","","has coordinates","230900","2020-10-21","18:00:00",""
"7230077","9.8684","0.0009","25.4867","0.0018","10.5567","0.0009","90","","110.979","0.01","90","","2479.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N4 O4 -","- C28 H30 N4 O4 -","- C112 H120 N16 O16 -","4","2","","Wang, Yong-Chao; Wang, Jun-Liang; Burgess, Kevin S.; Zhang, Jiang-Wei; Zheng, Qiu-Mei; Pu, Ya-Dan; Yan, Li-Jun; Chen, Xue-Bing","Green synthesis of new pyrrolidine-fused spirooxindoles via three-component domino reaction in EtOH/H2O","RSC Advances","2018","8","11","5702","","10.1039/C7RA13207G","","","0.71073","MoKα","","0.0502","0.0391","","","0.0863","0.0936","","","","","","1.058","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230078","18.204","0.019","15.339","0.015","23.87","0.02","90","","90","","90","","6665","11","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N6 O2.5 -","- C14 H19 N6 O2.5 -","- C224 H304 N96 O40 -","16","2","","Wu, Wei-Na; Wu, Hao; Wang, Yuan; Mao, Xian-Jie; Liu, Bao-Zhong; Zhao, Xiao-Lei; Xu, Zhou-Qing; Fan, Yun-Chang; Xu, Zhi-Hong","A simple hydrazone as a multianalyte (Cu2+, Al3+, Zn2+) sensor at different pH values and the resultant Al3+ complex as a sensor for F−","RSC Advances","2018","8","10","5640","","10.1039/C7RA10219D","","","0.71073","MoKα","","0.1602","0.0711","","","0.1843","0.2701","","","","","","1.04","","","","has coordinates","206104","2020-10-21","18:00:00",""
"7230079","7.0958","0.0005","24.4284","0.0017","9.0306","0.0007","90","","108.453","0.003","90","","1484.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O -","- C19 H14 Cl N O -","- C76 H56 Cl4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.034","0.031","","","0.0839","0.0861","","","","","","1.025","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230080","7.301","0.0003","25.9817","0.001","9.1022","0.0004","90","","111.488","0.002","90","","1606.61","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 I N O -","- C19 H14 I N O -","- C76 H56 I4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0378","0.0275","","","0.0549","0.0592","","","","","","1.024","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230081","7.1573","0.0004","24.8433","0.0014","9.0381","0.0006","90","","108.491","0.003","90","","1524.11","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br N O -","- C19 H14 Br N O -","- C76 H56 Br4 N4 O4 -","4","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0371","0.0316","","","0.0825","0.0855","","","","","","1.003","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230082","12.8719","0.0004","14.5519","0.0004","14.2914","0.0004","90","","115.4","0.001","90","","2418.17","0.12","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Cl N2 O -","- C32 H23 Cl N2 O -","- C128 H92 Cl4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0474","0.0405","","","0.1052","0.1104","","","","","","1.009","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230083","13.0192","0.0002","14.6232","0.0003","14.2369","0.0002","90","","115.288","0.001","90","","2450.72","0.07","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H23 Br N2 O -","- C32 H23 Br N2 O -","- C128 H92 Br4 N8 O4 -","4","2","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0782","0.0449","","","0.0707","0.0796","","","","","","0.948","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230084","17.8528","0.0006","10.1405","0.0004","28.1824","0.001","90","","90","","90","","5102","0.3","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H23 I N2 O -","- C32 H23 I N2 O -","- C256 H184 I8 N16 O8 -","8","1","","Bao, Junjie; Zhang, Zaiyong; Yan, Zhicheng; Wang, Jian-Rong; Mei, Xuefeng","Cocrystallization in vitamin B9 gels to construct stoichiometry-controlled isostructural materials","CrystEngComm","2018","20","12","1644","","10.1039/C7CE02083J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0629","0.0698","","","","","","1.01","","","","has coordinates","229154","2020-10-21","18:00:00",""
"7230085","18.3054","0.0007","18.3054","0.0007","24.9411","0.0019","90","","90","","120","","7237.8","0.7","296","2","296","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C30 H42 N6 O86 P2 S6 W24 -","- C30 H30 N6 O86 P2 S6 W24 -","- C90 H90 N18 O258 P6 S18 W72 -","3","0.333333","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0325","0.0317","","","0.0718","0.0723","","","","","","1.055","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230086","11.5893","0.0011","14.0435","0.0013","18.6103","0.0014","90","","123.117","0.004","90","","2536.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O46 P S2 W12 -","- C20 H20 N4 O42 P S2 W12 -","- C40 H40 N8 O84 P2 S4 W24 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0657","0.0631","","","0.179","0.1815","","","","","","1.082","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230087","14.9281","0.0017","20.076","0.002","26.708","0.003","90","","120.559","0.005","90","","6892.5","1.3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ag12 N4 O137 P4 S4 W36 -","- C20 H20 Ag12 N4 O137 P4 S4 W36 -","- C40 H40 Ag24 N8 O274 P8 S8 W72 -","2","0.5","","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Han, Zhangang","Supramolecular cooperative interaction-induced assembly of phosphotungstate polyanions and sulfur-containing pyridine-based cations","CrystEngComm","2018","20","11","1588","","10.1039/C8CE00026C","","","0.71073","MoKα","","0.0966","0.0533","","","0.1297","0.1565","","","","","","1.04","","","","has coordinates","229146","2020-10-21","18:00:00",""
"7230088","7.2124","0.0006","10.582","0.0005","17.2167","0.0009","90","","90","","90","","1314.01","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0423","0.0332","","","0.0859","0.0928","","","","","","1.031","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230089","10.9281","0.0002","9.8404","0.0003","11.7942","0.0003","90","","97.535","0.001","90","","1257.36","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","2","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0406","0.0317","","","0.0763","0.0802","","","","","","0.985","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230090","5.443","0.0002","21.1577","0.0006","21.2367","0.0006","90","","90","","90","","2445.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30.63 N6 O8.32 -","- C22 H30 N6 O8.3155 -","- C88 H120 N24 O33.262 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0464","0.037","","","0.0854","0.09","","","","","","1.056","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230091","10.3022","0.0006","10.3149","0.0007","13.799","0.0008","110.494","0.006","96.161","0.005","98.769","0.005","1336.9","0.16","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","TPECNThi","","","- C36 H24 N2 S -","- C36 H24 N2 S -","- C72 H48 N4 S2 -","2","1","","Ma, Chunping; He, Jiajun; Xu, Bingjia; Xie, Gaoyi; Xie, Zongliang; Mao, Zhu; Chi, Zhenguo","A TPE‒benzothiazole piezochromic and acidichromic molecular switch with high solid state luminescent efficiency","RSC Advances","2018","8","12","6252","","10.1039/C7RA12655G","","","1.5418","CuKα","","0.0392","0.032","","","0.0798","0.0845","","","","","","1.032","","","","has coordinates","206292","2020-10-21","18:00:00",""
"7230092","17.0744","0.0003","20.5494","0.0004","11.4918","0.0002","90","","90","","90","","4032.11","0.13","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","SuperNova","","- C35 H41 Mn3 N5 O14 -","- C35 H41 Mn3 N5 O14 -","- C140 H164 Mn12 N20 O56 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0625","0.0418","","","0.0947","0.1032","","","","","","1.129","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230093","17.9052","0.0002","25.3476","0.0002","8.9987","0.0001","90","","90","","90","","4084.09","0.07","150.15","","150.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","SuperNova","","- C43 H33 N9 Ni3 O8 -","- C43 H33 N9 Ni3 O8 -","- C172 H132 N36 Ni12 O32 -","4","0.5","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0279","0.0265","","","0.0694","0.0703","","","","","","1.046","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230094","11.969","0.0006","14.4468","0.0006","17.6248","0.0009","89.892","0.004","73.514","0.004","82.879","0.004","2898","0.2","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","SuperNova","","- C62 H42 Cu6 N14 O12 -","- C62 H42 Cu6 N14 O12 -","- C124 H84 Cu12 N28 O24 -","2","1","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.7107","MoKα","","0.0411","0.0314","","","0.0768","0.0809","","","","","","1.078","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230095","14.6309","0.0005","35.9987","0.001","14.3693","0.0004","90","","90.793","0.002","90","","7567.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","SuperNova","","- C69 H57 Cu6 N15 O17 -","- C69 H57 Cu6 N15 O17 -","- C276 H228 Cu24 N60 O68 -","4","1","","Wang, Kai; Tang, Shen; Hu, Zhao-Bo; Zou, Hua-Hong; Wang, Xiao-Lu; Li, Yan; Zhang, Shu-Hua; Chen, Zi-Lu; Liang, Fu-Pei","A family of 3d metal clusters based on N‒N single bonds bridged quasi-linear trinuclear cores: the Mn analogue displaying single-molecule magnet behavior","RSC Advances","2018","8","12","6218","","10.1039/C7RA12844D","","","0.71073","MoKα","","0.0976","0.0616","","","0.1469","0.1597","","","","","","1.028","","","","has coordinates","206293","2020-10-21","18:00:00",""
"7230096","8.2809","0.0002","8.4804","0.0003","12.4655","0.0003","74.802","0.002","89.117","0.002","84.624","0.002","841.02","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(E)-N-(benzo[d]thiazol-2-yl)-3-(3,4-dimethoxyphenyl)acrylamide","","- C18 H16 N2 O3 S -","- C18 H16 N2 O3 S -","- C36 H32 N4 O6 S2 -","2","1","","Nong, Wenqian; Zhao, Anran; Wei, Jinrui; Cheng, Hui; Luo, Xuan; Lin, Cuiwu","Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents","RSC Advances","2018","8","12","6231","","10.1039/C7RA13397A","","x-ray","1.54184","CuKα","","0.046","0.0449","","","0.1203","0.121","","","","","","1.046","","","","has coordinates","206294","2020-10-21","18:00:00",""
"7230097","10.9706","0.0001","7.5236","0.0001","33.4233","0.0005","90","","98.909","0.001","90","","2725.42","0.06","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(benzo[d]thiazol-2-yl)-3-phenylpropanamide","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","2","","Nong, Wenqian; Zhao, Anran; Wei, Jinrui; Cheng, Hui; Luo, Xuan; Lin, Cuiwu","Synthesis of a series of benzothiazole amide derivatives and their biological evaluation as potent hemostatic agents","RSC Advances","2018","8","12","6231","","10.1039/C7RA13397A","","x-ray","1.54184","CuKα","","0.0416","0.0356","","","0.0928","0.0951","","","","","","1.071","","","","has coordinates","206294","2020-10-21","18:00:00",""
"7230098","5.6075","0.0001","13.0331","0.0003","14.8275","0.0003","114.825","0.002","100.483","0.002","91.664","0.002","960.32","0.04","100","1","100","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0344","0.029","","","0.0896","0.0917","","","","","","1.084","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230099","14.2644","0.0009","12.9569","0.0008","6.9931","0.0004","90","","100.393","0.006","90","","1271.28","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0712","0.0348","","","0.0615","0.0651","","","","","","0.943","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230100","14.4305","0.0009","13.1657","0.001","7.0872","0.0005","90","","101.958","0.007","90","","1317.26","0.16","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.1045","0.0467","","","0.0774","0.0839","","","","","","1.037","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230101","12.8234","0.0003","8.0674","0.0002","13.4505","0.0003","90","","111.531","0.002","90","","1294.38","0.06","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0354","0.0288","","","0.0806","0.0828","","","","","","1.013","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230102","5.652","0.0005","13.1283","0.0018","14.9297","0.001","114.314","0.019","100.619","0.01","91.595","0.009","985.6","0.2","296","1","296","1","","","","","","","","4","P -1","-P 1","2","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C48 H42 N6 O6 -","6","3","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0437","0.0303","","","0.0749","0.0779","","","","","","1.004","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230103","12.7471","0.0005","8.2941","0.0003","13.5772","0.0006","90","","111.406","0.005","90","","1336.44","0.1","296","1","296","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-oxindole","indolin-2-one","","- C8 H7 N O -","- C8 H7 N O -","- C64 H56 N8 O8 -","8","2","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0538","0.0316","","","0.0585","0.0607","","","","","","1.012","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230104","12.2387","0.0007","7.2236","0.0004","8.0822","0.0004","90","","103.325","0.006","90","","695.29","0.07","293","1","293","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-oxindole","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0809","0.0499","","","0.122","0.1518","","","","","","1.062","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230105","12.0455","0.0003","7.0949","0.0002","7.967","0.0002","90","","101.314","0.003","90","","667.64","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","oxindole","2-indolinone","","- C8 H7 N O -","- C8 H7 N O -","- C32 H28 N4 O4 -","4","1","","Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech","Polymorphs of oxindole as the core structures in bioactive compounds","CrystEngComm","2018","20","12","1739","","10.1039/C7CE01237C","","","0.71073","MoKα","","0.0422","0.0353","","","0.0956","0.1024","","","","","","1.053","","","","has coordinates","229155","2020-10-21","18:00:00",""
"7230106","14.9614","0.0017","15.2536","0.0016","30.99","0.004","90","","96.288","0.003","90","","7029.8","1.4","100","2","100","2","","","","","","","Vapour diffison of dichloromethane into heaxafluoro-2-propanol solution","4","P 1 21/c 1","-P 2ybc","14","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]","","- C49 H44 N8 O8 -","- C49 H44 N8 O8 -","- C196 H176 N32 O32 -","4","1","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1274","0.0796","","","0.1997","0.2275","","","","","","1.08","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230107","14.4613","0.0017","20.326","0.002","23.303","0.003","65.194","0.003","85.341","0.003","73.765","0.003","5964.6","1.2","100","2","100","2","","","","","","","Vapour diffison of 2-methanol into heaxafluoro-2-propanol solution","4","P -1","-P 1","2","tetrakis(4-thyminylmethylphenyl)methane","1,1',1'',1'''-[4,4',4'',4'''-Methanetetrayltetrakis(benzene-4,1-diyl)tetrakis(methylene)]tetrakis[5-methylpyrimidine-2,4(1H,3H)-dione]hemimethanol solvate","","- C49.5 H46 N8 O8.5 -","- C49.5 H46 N8 O8.5 -","- C198 H184 N32 O34 -","4","2","","Qi, L.; Gundersen, L.-L.; Görbitz, C. H.","2-D and 3-D porous structures from tetrakis(4-thyminylmethylphenyl)methane","CrystEngComm","2018","20","9","1179","","10.1039/C8CE00078F","","","0.71073","MoKα","","0.1112","0.0727","","","0.1813","0.2044","","","","","","1.019","","","","has coordinates","229074","2020-10-21","18:00:00",""
"7230108","15.304","0.003","6.2273","0.0012","14.009","0.003","90","","115.285","0.002","90","","1207.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cl2 Cu N4 -","- C6 H6 Au Cl2 Cu N4 -","- C24 H24 Au4 Cl8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0235","0.0181","","","0.0424","0.0449","","","","","","1.059","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230109","15.5179","0.0011","5.9393","0.0004","14.8526","0.001","90","","112.769","0.001","90","","1262.22","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Br2 Cu N4 -","- C6 H6 Au Br2 Cu N4 -","- C24 H24 Au4 Br8 Cu4 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0202","0.0158","","","0.0352","0.0363","","","","","","1.04","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230110","16.567","0.0016","5.5064","0.0005","15.8161","0.0015","90","","108.258","0.001","90","","1370.2","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Au Cu I2 N4 -","- C6 H6 Au Cu I2 N4 -","- C24 H24 Au4 Cu4 I8 N16 -","4","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Probing halogen⋯halogen interactions via thermal expansion analysis","CrystEngComm","2018","20","13","1769","","10.1039/C7CE02167D","","","0.71073","MoKα","","0.0223","0.0208","","","0.0519","0.0526","","","","","","1.129","","","","has coordinates","229056","2020-10-21","18:00:00",""
"7230111","5.7048","0.0001","23.8602","0.0005","9.3419","0.0002","90","","90.604","0.001","90","","1271.53","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3R,16R)-12-O-β- D-glucopyranosyl-3,11,16-trihydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-4(19),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid A","","- C26 H38 O11 -","- C26 H38 O11 -","- C52 H76 O22 -","2","1","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.03","0.03","","","0.0884","0.0885","","","","","","1.113","","","","has coordinates","206359","2020-10-21","18:00:00",""
"7230112","11.5843","0.0007","9.5501","0.0006","15.2093","0.001","90","","92.859","0.004","90","","1680.53","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","(3S,16S)-12,16-epoxy-3,11,14-trihydroxy-17(15\ρightarrow16)-abeo-abieta-8(9),11(12),13(14)-triene-7-one","szemaoenoid J","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0701","0.0627","","","0.1682","0.1743","","","","","","1.058","","","","has coordinates","206359","2020-10-21","18:00:00",""
"7230113","17.5477","0.0006","21.7199","0.0007","33.3592","0.0012","90","","90","","90","","12714.3","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(16R)-12-O-β-D-glucopyranosyl-11,14,16, 19-tetrahydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-3(4),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid c","","- C26 H36 O11 -","- C26 H36 O11.25 -","- C416 H576 O180 -","16","4","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0759","0.0744","","","0.2065","0.2083","","","","","","1.044","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230114","16.066","0.005","16.264","0.005","25.721","0.008","95.908","0.004","98.689","0.003","94.564","0.004","6577","4","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N8 O5 -","- C30 H40 N8 O5 -","- C240 H320 N64 O40 -","8","4","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.1927","0.0879","","","0.1974","0.2278","","","","","","0.968","","","","has coordinates,has disorder","228896","2020-10-21","18:00:00",""
"7230115","17.306","0.002","16.8727","0.0019","23.268","0.003","90","","90","","90","","6794.2","1.4","120","","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H46 N8 O6 -","- C32 H46 N8 O6 -","- C256 H368 N64 O48 -","8","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1801","0.0868","","","0.1733","0.2169","","","","","","1.015","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230116","16.641","0.003","16.911","0.003","26.532","0.004","90","","92.145","0.005","90","","7461","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O6 -","- C38 H50 N8 O6 -","- C304 H400 N64 O48 -","8","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.1789","0.1197","","","0.2323","0.2607","","","","","","1.092","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230117","15.8133","0.0005","15.8133","0.0005","20.5773","0.0008","90","","90","","90","","5145.6","0.3","120","","120","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C208 H240 N64 O32 -","8","0.5","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0376","0.0329","","","0.0788","0.0814","","","","","","1.04","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230118","9.0337","0.0007","14.7317","0.0014","19.8607","0.0015","90","","90","","90","","2643.1","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies – is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0995","0.0723","","","0.1629","0.1782","","","","","","1.036","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7230119","13.3968","0.0008","16.0797","0.0006","16.7219","0.0008","84.489","0.004","67.608","0.005","82.921","0.004","3300.4","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H39 N9 O4 -","- C33 H39 N9 O4 -","- C132 H156 N36 O16 -","4","2","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.6889","","","0.09","0.0603","","","0.1502","0.1669","","","","","","1.035","","","","has coordinates","228896","2020-10-21","18:00:00",""
"7230120","14.71","0.003","14.32","0.003","15.8","0.003","90","","96.47","0.03","90","","3307","1.2","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cr2 Cu N6 O7 -","- C20 H22 Cr2 Cu N6 O7 -","- C80 H88 Cr8 Cu4 N24 O28 -","4","1","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.0548","0.0517","","","0.1457","0.1482","","","","","","1.084","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230121","18.658","0.002","18.658","0.002","8.653","0.0017","90","","90","","90","","3012.3","0.7","100.15","","100.15","","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C20 H28 Cr2 Cu N8 O7 -","- C20 H28 Cr2 Cu N8 O7 -","- C80 H112 Cr8 Cu4 N32 O28 -","4","0.5","","Scott, Hayley S.; Mukherjee, Soumya; Turner, David R.; Polson, Matthew I. J.; Zaworotko, Michael J.; Kruger, Paul E.","Crystal engineering of dichromate pillared hybrid ultramicroporous materials incorporating pyrazole-based ligands","CrystEngComm","2018","20","9","1193","","10.1039/C8CE00149A","","","0.71073","synchrotron","","0.1119","0.095","","","0.2611","0.2747","","","","","","1.051","","","","has coordinates,has disorder","229078","2020-10-21","18:00:00",""
"7230122","29.746","0.006","7.8121","0.0016","19.757","0.004","90","","130.51","0.03","90","","3491","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N13 O12 -","- C8 H9 N13 O12 -","- C64 H72 N104 O96 -","8","1","","Pan, Bochen; Dang, Leping; Wang, Zhanzhong; Jiang, Jun; Wei, Hongyuan","Preparation, crystal structure and solution-mediated phase transformation of a novel solid-state form of CL-20","CrystEngComm","2018","20","11","1553","","10.1039/C7CE02026K","","","0.71073","MoKα","","0.0479","0.0392","","","0.1286","0.135","","","","","","1.029","","","","has coordinates","229147","2020-10-21","18:00:00",""
"7230123","8.8819","0.0005","23.8685","0.0011","13.7122","0.0007","90","","91.846","0.004","90","","2905.4","0.3","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","","0.7107","MoKα","","0.0628","0.0312","","","0.0459","0.0514","","","","","","0.946","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230124","8.5005","0.0002","23.2999","0.0006","13.6047","0.0003","90","","91.102","0.002","90","","2694.06","0.11","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Mn N8 O4 -","- C62 H68 Cl2 Mn N8 O4 -","- C124 H136 Cl4 Mn2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0679","0.0434","","","0.0812","0.0917","","","","","","1.025","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230125","8.7177","0.0002","22.8785","0.0007","13.3318","0.0004","90","","91.452","0.002","90","","2658.15","0.13","130","1","130","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Cu N8 O4 -","- C62 H68 Cl2 Cu N8 O4 -","- C124 H136 Cl4 Cu2 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0677","0.0541","","","0.142","0.1517","","","","","","1.036","","","","has coordinates,has disorder","229062","2020-10-21","18:00:00",""
"7230126","8.4606","0.0003","23.1261","0.001","13.5197","0.0006","90","","90.899","0.005","90","","2644.95","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 Ni O4 -","- C62 H68 Cl2 N8 Ni O4 -","- C124 H136 Cl4 N16 Ni2 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0794","0.0465","","","0.0776","0.0879","","","","","","1.014","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230127","8.5717","0.0001","23.4186","0.0003","13.6664","0.0002","90","","91.246","0.001","90","","2742.71","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cd Cl2 N8 O4 -","- C62 H68 Cd Cl2 N8 O4 -","- C124 H136 Cd2 Cl4 N16 O8 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0649","0.0666","","","","","","1.055","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230128","10.0288","0.0003","16.1383","0.0005","16.1962","0.0005","90","","90.845","0.003","90","","2621.03","0.14","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N4 O2 -","- C31 H34 N4 O2 -","- C124 H136 N16 O8 -","4","1","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.0583","0.0391","","","0.0792","0.0863","","","","","","1.018","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230129","8.69","0.0002","23.6505","0.0004","13.7975","0.0003","90","","92.038","0.002","90","","2833.91","0.1","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 N8 O4 Pb -","- C62 H68 Cl2 N8 O4 Pb -","- C124 H136 Cl4 N16 O8 Pb2 -","2","0.5","","Ghanbari, Bahram; Shahhoseini, Leila; Owczarzak, Agata; Kubicki, Maciej; Kia, Reza; Raithby, Paul R.","Synthesis, X-ray crystallography, thermogravimetric analysis and spectroscopic characterization of isostructural one-dimensional coordination polymers as sorbents for some anions","CrystEngComm","2018","20","13","1783","","10.1039/C7CE02017A","","x-ray","0.71073","MoKα","","0.05","0.029","","","0.0481","0.0522","","","","","","1.006","","","","has coordinates","229062","2020-10-21","18:00:00",""
"7230130","13.246","0.0006","12.7829","0.0006","12.8418","0.0006","90","","114.67","0.001","90","","1975.94","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,5-Dimethyl-8-(methylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C26 H21 B F2 N2 -","- C26 H21 B F2 N2 -","- C104 H84 B4 F8 N8 -","4","0.5","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.0474","0.0395","","","0.1016","0.1066","","","","","","1.053","","","","has coordinates,has disorder","230948","2020-10-21","18:00:00",""
"7230131","14.2315","0.0015","11.3053","0.0012","15.4276","0.0016","90","","93.737","0.002","90","","2476.9","0.5","100","","100","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","3,5-Dimethyl-8-(anthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C26 H20 B Cl3 F2 N2 -","- C26 H20 B Cl3 F2 N2 -","- C104 H80 B4 Cl12 F8 N8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.0849","0.048","","","0.1102","0.1289","","","","","","1.013","","","","has coordinates,has disorder","230948","2020-10-21","18:00:00",""
"7230132","8.568","0.001","9.7581","0.0011","15.2034","0.0018","101.961","0.002","91.811","0.002","99.856","0.002","1222.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","1,3,5,7-Tetramethyl-8-(methylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene toluene solvate","","- C63 H58 B2 F4 N4 -","- C63 H58 B2 F4 N4 -","- C63 H58 B2 F4 N4 -","1","0.5","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.0781","0.057","","","0.1524","0.1717","","","","","","1.055","","","","has coordinates,has disorder","230948","2020-10-21","18:00:00",""
"7230133","10.3605","0.0016","13.301","0.002","21.611","0.004","76.897","0.003","82.836","0.006","73.801","0.005","2779.4","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethyl-8-(4-(10-phenylanthracen-9-yl)phenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C37 H27 B F2 N2 -","- C37 H27 B F2 N2 -","- C148 H108 B4 F8 N8 -","4","2","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","1.54178","CuKα","","0.0645","0.0473","","","0.1227","0.1347","","","","","","1.054","","","","has coordinates","230948","2020-10-21","18:00:00",""
"7230134","14.2177","0.0013","13.2738","0.0011","19.7784","0.0017","90","","95.067","0.002","90","","3718.1","0.6","100","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-(10-methylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C24 H17 B F2 N2 -","- C24 H17 B F2 N2 -","- C192 H136 B8 F16 N16 -","8","2","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.0672","0.0416","","","0.0914","0.1032","","","","","","1.012","","","","has coordinates","230948","2020-10-21","18:00:00",""
"7230135","8.9484","0.0018","9.6443","0.0019","17.849","0.004","87.62","0.03","77.07","0.03","68.24","0.03","1392.9","0.6","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethyl-8-(10-phenylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C31 H23 B F2 N2 -","- C31 H23 B F2 N2 -","- C62 H46 B2 F4 N4 -","2","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.1163","0.0563","","","0.1156","0.1348","","","","","","1.021","","","","has coordinates","230948","2020-10-21","18:00:00",""
"7230136","15.836","0.006","20.573","0.007","7.781","0.003","90","","101.878","0.008","90","","2480.7","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Diethyl-1,3,5,7-tetramethyl-8-(10-methylanthracen-9-yl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C32 H33 B F2 N2 -","- C32 H33 B F2 N2 -","- C128 H132 B4 F8 N8 -","4","1","","Filatov, Mikhail A.; Karuthedath, Safakath; Polestshuk, Pavel M.; Callaghan, Susan; Flanagan, Keith J.; Telitchko, Maxime; Wiesner, Thomas; Laquai, Frédéric; Senge, Mathias O.","Control of triplet state generation in heavy atom-free BODIPY-anthracene dyads by media polarity and structural factors.","Physical chemistry chemical physics : PCCP","2018","20","12","8016","8031","10.1039/c7cp08472b","","x-ray","0.71073","MoKα","","0.1076","0.0483","","","0.0937","0.1125","","","","","","1.013","","","","has coordinates","230948","2020-10-21","18:00:00",""
"7230137","8.7634","0.0006","19.3464","0.0011","8.8479","0.0007","90","","96.305","0.007","90","","1491","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.095","0.0529","","","0.1132","0.1304","","","","","","1.016","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230138","18.819","0.002","12.3035","0.0008","15.245","0.002","90","","113.799","0.016","90","","3229.7","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N3 O4 -","- C16 H19 N3 O4 -","- C128 H152 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.079","0.0488","","","0.093","0.1034","","","","","","1.024","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230139","20.911","0.002","5.3366","0.0005","10.8719","0.0009","90","","90","","90","","1213.23","0.19","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0766","0.047","","","0.0698","0.0802","","","","","","0.992","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230140","9.8994","0.0007","6.8199","0.0003","20.3396","0.0015","90","","90","","90","","1373.19","0.15","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0926","0.0535","","","0.0925","0.1075","","","","","","1.056","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230141","19.2494","0.001","12.8121","0.0006","15.0103","0.0007","90","","112.476","0.006","90","","3420.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1202","0.0594","","","0.1142","0.1373","","","","","","0.984","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230142","24.185","0.003","12.6631","0.0018","4.7046","0.0008","90","","90","","90","","1440.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.2087","0.0769","","","0.078","0.1091","","","","","","0.929","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230143","15.6285","0.0005","12.4516","0.0004","7.3947","0.0003","90","","93.187","0.003","90","","1436.78","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C60 H68 N12 O16 -","4","1","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.0651","0.0449","","","0.1046","0.1148","","","","","","1.032","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230144","11.9715","0.0005","12.5059","0.0006","9.371","0.0004","90","","97.453","0.004","90","","1391.12","0.11","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Pisk, Jana; Hrenar, Tomica; Rubčić, Mirta; Pavlović, Gordana; Damjanović, Vladimir; Lovrić, Jasna; Cindrić, Marina; Vrdoljak, Višnja","Comparative studies on conventional and solvent-free synthesis toward hydrazones: application of PXRD and chemometric data analysis in mechanochemical reaction monitoring","CrystEngComm","2018","20","13","1804","","10.1039/C7CE02136D","","","0.71073","MoKα","","0.1242","0.0552","","","0.0779","0.0969","","","","","","0.971","","","","has coordinates","229058","2020-10-21","18:00:00",""
"7230145","4.9401","0.0005","27.416","0.003","15.4519","0.0014","90","","95.408","0.002","90","","2083.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 F2 N2 S2 -","- C24 H22 F2 N2 S2 -","- C96 H88 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.71073","MoKα","","0.0715","0.0532","","","0.1152","0.1251","","","","","","1.09","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230146","4.9884","0.0002","20.5374","0.001","23.8286","0.0011","109.016","0.001","90.388","0.001","91.87","0.001","2306.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","","","","0.0673","0.0594","","","0.1673","0.1769","","","","","","1.031","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230147","18.3461","0.0006","5.0761","0.0001","25.1208","0.0008","90","","99.433","0.001","90","","2307.78","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F2 N2 S2 -","- C26 H26 F2 N2 S2 -","- C104 H104 F8 N8 S8 -","4","1","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0757","0.0734","","","0.1938","0.1991","","","","","","1.067","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230148","4.8908","0.0001","37.3867","0.0009","15.8515","0.0004","90","","95.896","0.001","90","","2883.13","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H37 F2 N2 S2 -","- C32 H38 F2 N2 S2 -","- C128 H152 F8 N8 S8 -","4","2","","Song, Xiaoxian; Yu, Hanbo; Zhang, Yuewei; Miao, Yang; Ye, Kaiqi; Wang, Yue","Controllable morphology and self-assembly of one-dimensional luminescent crystals based on alkyl-fluoro-substituted dithienophenazines","CrystEngComm","2018","20","12","1669","","10.1039/C8CE00021B","","","0.6229","","","0.0512","0.0498","","","0.1352","0.1363","","","","","","1.05","","","","has coordinates","229156","2020-10-21","18:00:00",""
"7230149","18.572","0.003","14.833","0.003","18.032","0.003","90","","108.118","0.003","90","","4721.1","1.5","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Cl6 N2 O2 S2 Ti2 -","- C38 H46 Cl6 N2 O2 S2 Ti2 -","- C152 H184 Cl24 N8 O8 S8 Ti8 -","4","1","","Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing","Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes","RSC Advances","2018","8","13","6954","","10.1039/C8RA00071A","","","0.71073","MoKα","","0.1093","0.0705","","","0.1858","0.2099","","","","","","1.002","","","","has coordinates","206428","2020-10-21","18:00:00",""
"7230150","14.149","0.005","10.258","0.003","24.194","0.008","90","","96.71","0.006","90","","3487","2","130","","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O2 S2 -","- C38 H48 N2 O2 S2 -","- C152 H192 N8 O8 S8 -","4","1","","Luo, Derong; Zeng, Yi; Chen, Xiong; Xia, Ping; Xie, Guangyong; You, Qingliang; Zhang, Li; Li, Tingcheng; Li, Xiangdan; Zhang, Aiqing","Synthesis, characterization and olefin polymerization behaviors of phenylene-bridged bis-β-carbonylenamine binuclear titanium complexes","RSC Advances","2018","8","13","6954","","10.1039/C8RA00071A","","","0.71073","MoKα","","0.1988","0.0916","","","0.2043","0.2721","","","","","","0.963","","","","has coordinates","206428","2020-10-21","18:00:00",""
"7230151","7.488","0.005","15.981","0.005","12.179","0.005","90","0.005","105.711","0.005","90","0.005","1403","1.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","0.5","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.189","0.17","","","","0.4811","","","","","","1.89","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230152","11.7214","0.0008","6.9671","0.0004","20.641","0.0013","90","","103.414","0.006","90","","1639.64","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C64 H40 Cl8 N12 O16 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0989","0.0963","","","","0.2569","","","","","","1.115","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230153","16.311","0.0003","13.4662","0.0002","14.4537","0.0002","90","","90","","90","","3174.71","0.09","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl2 N3 O2 -","- C16 H12 Cl2 N3 O2 -","- C128 H96 Cl16 N24 O16 -","8","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0474","0.0437","","","","0.1256","","","","","","1.049","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230154","7.1343","0.0007","15.894","0.0014","11.519","0.0011","90","","98.678","0.008","90","","1291.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl2 N3 O2 -","- C13 H6 Cl2 N3 O2 -","- C52 H24 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","x-ray","1.54184","CuKα","","","0.0527","","","","0.1669","","","","","","1.04","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230155","6.8512","0.0001","11.0917","0.0001","19.146","0.0002","90","","94.392","0.001","90","","1450.66","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl2 N3 O2 -","- C15 H10 Cl2 N3 O2 -","- C60 H40 Cl8 N12 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0464","0.0456","","","","0.118","","","","","","1.023","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230156","6.8797","0.0004","10.4684","0.0006","11.0184","0.0004","87.618","0.004","79.679","0.004","75.627","0.005","756.26","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C30 H18 Cl4 N8 O6 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.048","0.0456","","","","0.137","","","","","","1.095","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230157","6.5095","0.0004","10.0244","0.0006","12.1968","0.0009","96.753","0.005","98.883","0.006","104.199","0.005","752.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl2 N4 O2 -","- C17 H9 Cl2 N4 O2 -","- C34 H18 Cl4 N8 O4 -","2","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.1559","0.1478","","","","0.3196","","","","","","1.172","","","","has coordinates,has disorder","229055","2020-10-21","18:00:00",""
"7230158","6.87171","0.00007","10.10504","0.00009","20.5512","0.0002","90","","94.6882","0.0009","90","","1422.28","0.02","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54184","CuKα","","0.0302","0.0292","","","","0.0815","","","","","","1.069","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230159","19.9026","0.0002","6.7671","0.0001","23.9113","0.0002","90","","104.552","0.001","90","","3117.13","0.06","100","2","100","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C16 H10 Cl2 N3 O4 -","- C16 H10 Cl2 N3 O4 -","- C128 H80 Cl16 N24 O32 -","8","2","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0335","0.0332","","","","0.087","","","","","","0.898","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230160","6.4226","0.0003","11.3416","0.0004","20.4418","0.0008","90","","91.438","0.004","90","","1488.56","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Cl2 N4 O3 -","- C15 H9 Cl2 N4 O3 -","- C60 H36 Cl8 N16 O12 -","4","1","","Molčanov, Krešimir; Stalke, Dietmar; Šantić, Ana; Demeshko, Serhiy; Stilinović, Vladimir; Mou, Zhongyu; Kertesz, Miklos; Kojić-Prodić, Biserka","Probing semiconductivity in crystals of stable semiquinone radicals: organic salts of 5,6-dichloro-2,3-dicyanosemiquinone (DDQ) radical anions","CrystEngComm","2018","20","13","1862","","10.1039/C7CE02146A","","","1.54179","CuKα","","0.0629","0.0567","","","","0.1636","","","","","","1.068","","","","has coordinates","229055","2020-10-21","18:00:00",""
"7230161","26.166","0.005","10.162","0.002","8.6509","0.0017","90","","90","","90","","2300.3","0.8","104.66","0.14","104.66","0.14","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H25 Cl3 N O Rh -","- C23 H25 Cl3 N O Rh -","- C92 H100 Cl12 N4 O4 Rh4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0323","0.031","","","0.0757","0.0765","","","","","","1.078","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230162","8.2945","0.0002","24.479","0.0007","15.6644","0.0004","90","","101.702","0.003","90","","3114.41","0.15","151","0.3","151","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 Cl Ir N O3 -","- C37 H35 Cl Ir N O3 -","- C148 H140 Cl4 Ir4 N4 O12 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.042","0.0311","","","0.0667","0.0723","","","","","","1.057","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230163","23.3666","0.0004","18.5319","0.0004","23.8394","0.0004","90","","101.938","0.0018","90","","10099.8","0.3","134.5","0.7","134.5","0.7","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H43 Br4 Cl5 Ir N O -","- C52 H43 Br4 Cl5 Ir N O -","- C416 H344 Br32 Cl40 Ir8 N8 O8 -","8","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.0499","0.041","","","0.0983","0.1035","","","","","","1.015","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230164","17.5282","0.0005","11.548","0.0003","13.785","0.0004","90","","90","","90","","2790.3","0.13","99.99","0.1","99.99","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H32 Ir N O -","- C36 H32 Ir N O -","- C144 H128 Ir4 N4 O4 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0276","0.0233","","","0.0469","0.049","","","","","","1.051","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230165","10.6814","0.0005","15.2053","0.0007","18.938","0.0008","90","","101.078","0.004","90","","3018.5","0.2","143.2","0.3","143.2","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Ir N O2 -","- C38 H38 Ir N O2 -","- C152 H152 Ir4 N4 O8 -","4","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","0.71073","MoKα","","0.0411","0.0306","","","0.0576","0.0616","","","","","","1.037","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230166","14.5879","0.0015","15.7035","0.0016","17.2298","0.0017","107.147","0.002","105.89","0.002","109.408","0.002","3240.5","0.6","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C69 H47 B F24 Ir N O -","- C69 H47 B F24 Ir N O -","- C138 H94 B2 F48 Ir2 N2 O2 -","2","1","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","","0.71073","MoKα","","0.0473","0.0372","","","0.0899","0.0935","","","","","","1.048","","","","has coordinates,has disorder","206443","2020-10-21","18:00:00",""
"7230167","13.146","0.0004","14.8634","0.0004","27.0887","0.0009","82.995","0.002","79.253","0.003","89.665","0.002","5160.5","0.3","157.39","0.15","157.39","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 F Ir N O -","- C30 H27 F Ir N O -","- C240 H216 F8 Ir8 N8 O8 -","8","4","","Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin","Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products","RSC Advances","2018","8","13","7164","","10.1039/C7RA13547E","","x-ray","1.54184","CuKα","","0.1063","0.0836","","","0.1982","0.2121","","","","","","1.047","","","","has coordinates","206443","2020-10-21","18:00:00",""
"7230168","10.021","0.002","13.993","0.003","15.997","0.004","89.031","0.008","80.648","0.008","80.267","0.008","2181.4","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl2 Cu3 N4 O13 -","- C40 H42 Cl2 Cu3 N4 O13 -","- C80 H84 Cl4 Cu6 N8 O26 -","2","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.1435","0.0687","","","0.1607","0.2022","","","","","","0.979","","","","has coordinates","206444","2020-10-21","18:00:00",""
"7230169","16.0994","0.0012","12.1164","0.0009","24.2086","0.0018","90","","107.775","0.002","90","","4496.9","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 Fe N4 O14 -","- C42 H48 Cl2 Cu2 Fe N4 O14 -","- C168 H192 Cl8 Cu8 Fe4 N16 O56 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0529","0.0427","","","0.1108","0.1187","","","","","","1.087","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230170","16.287","0.009","12.113","0.006","24.283","0.013","90","","108.528","0.007","90","","4542","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 Mn N4 O14 -","- C42 H48 Cl2 Cu2 Mn N4 O14 -","- C168 H192 Cl8 Cu8 Mn4 N16 O56 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0504","0.0368","","","0.0925","0.1006","","","","","","1.04","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230171","16.2","0.019","12.254","0.015","24.32","0.03","90","","108.149","0.015","90","","4588","10","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 Cl2 Cu2 N4 O14 Zn -","- C42 H48 Cl2 Cu2 N4 O14 Zn -","- C168 H192 Cl8 Cu8 N16 O56 Zn4 -","4","0.5","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.1387","0.0943","","","0.2252","0.2693","","","","","","0.977","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230172","10.9788","0.0006","23.9304","0.0013","18.3403","0.001","90","","91.497","0.002","90","","4816.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Cl2 Cu2 N4 Ni O14 -","- C40 H44 Cl2 Cu2 N4 Ni O14 -","- C160 H176 Cl8 Cu8 N16 Ni4 O56 -","4","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.0781","0.0448","","","0.1116","0.1291","","","","","","1.027","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230173","20.9449","0.0009","13.2515","0.0006","19.8004","0.0009","90","","112.976","0.002","90","","5059.7","0.4","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C46 H54 Cl2 Co Cu2 N4 O15 -","- C184 H216 Cl8 Co4 Cu8 N16 O60 -","4","1","","Hari, Nairita; Mandal, Shuvankar; Jana, Arpita; Sparkes, Hazel A.; Mohanta, Sasankasekhar","Syntheses, crystal structures, magnetic properties and ESI-MS studies of a series of trinuclear CuIIMIICuII compounds (M = Cu, Ni, Co, Fe, Mn, Zn)","RSC Advances","2018","8","14","7315","","10.1039/C7RA13763J","","","0.71073","MoKα","","0.044","0.0395","","","0.1053","0.1091","","","","","","1.04","","","","has coordinates,has disorder","206444","2020-10-21","18:00:00",""
"7230174","12.4225","0.0007","13.0816","0.0009","15.8045","0.0009","66.69","0.006","72.34","0.005","84.193","0.005","2247","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cu3 N6 O9 S2 -","- C44 H49.9998 Cu3 N6 O9 S2 -","- C88 H99.9996 Cu6 N12 O18 S4 -","2","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Formation of a water-mediated assembly of two neutral copper(ii) Schiff base fragments with a Cu2(NCS)4moiety: exploration of non-covalent C‒H⋯π(bimetallo ring) interactions","CrystEngComm","2018","20","12","1679","","10.1039/C7CE01473B","","","0.71073","MoKα","","0.0803","0.0551","","","0.0921","0.0998","","","","","","1.058","","","","has coordinates","229157","2020-10-21","18:00:00",""
"7230175","6.8337","0.0006","8.3901","0.0005","22.7542","0.0015","86.843","0.005","87.831","0.006","84.815","0.006","1296.6","0.16","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H34 N2 O6 Si4 -","- C17 H34 N2 O6 Si4 -","- C34 H68 N4 O12 Si8 -","2","1","","Perju, Elena; Cuervo-Reyes, Eduardo; Shova, Sergiu; Opris, Dorina M.","Synthesis of novel cyclosiloxane monomers containing push‒pull moieties and their anionic ring opening polymerization","RSC Advances","2018","8","14","7569","","10.1039/C8RA00707A","","x-ray","0.71073","MoKα","","0.1194","0.0749","","","0.1282","0.1473","","","","","","1.089","","","","has coordinates","206482","2020-10-21","18:00:00",""
"7230176","7.1467","0.0008","8.3552","0.0007","30.714","0.002","94.797","0.006","90.275","0.007","98.677","0.008","1806.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H44 N4 O8 Si4 -","- C27 H44 N4 O8 Si4 -","- C54 H88 N8 O16 Si8 -","2","1","","Perju, Elena; Cuervo-Reyes, Eduardo; Shova, Sergiu; Opris, Dorina M.","Synthesis of novel cyclosiloxane monomers containing push‒pull moieties and their anionic ring opening polymerization","RSC Advances","2018","8","14","7569","","10.1039/C8RA00707A","","x-ray","0.71073","MoKα","","0.14","0.0947","","","0.2021","0.2282","","","","","","1.095","","","","has coordinates,has disorder","206482","2020-10-21","18:00:00",""
"7230177","23.52","0.02","5.994","0.005","15.843","0.013","90","","112.574","0.017","90","","2062","3","140","2","140","2","","","","","","","Endophytic Fungus Aspergillus aculeatus","4","C 1 2 1","C 2y","5","Aculeatine A","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","","Wang, Hao; Eze, Peter M.; Höfert, Simon-Patrick; Janiak, Christoph; Hartmann, Rudolf; Okoye, Festus B. C.; Esimone, Charles O.; Orfali, Raha S.; Dai, Haofu; Liu, Zhen; Proksch, Peter","Substituted l-tryptophan-l-phenyllactic acid conjugates produced by an endophytic fungus Aspergillus aculeatus using an OSMAC approach","RSC Advances","2018","8","14","7863","","10.1039/C8RA00200B","","","1.54178","CuKα","","0.0408","0.025","","","0.0658","0.0667","","","","","","1.089","","","","has coordinates","206518","2020-10-21","18:00:00",""
"7230178","11.1999","0.0018","17.297","0.003","14.0431","0.0019","90","","124.762","0.009","90","","2235","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu4 N10 O19 -","- C26 H26 Cu4 N10 O19 -","- C52 H52 Cu8 N20 O38 -","2","0.5","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0747","0.0482","","","0.111","0.1217","","","","","","1.092","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230179","12.3214","0.0008","14.7121","0.001","6.7818","0.0005","90","","98.908","0.002","90","","1214.53","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co2 N4 O7 -","- C9 H8 Co2 N4 O7 -","- C36 H32 Co8 N16 O28 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0307","","","0.0791","0.0839","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230180","7.6026","0.0003","10.2758","0.0004","15.0264","0.0006","93.07","0.001","92.068","0.001","108.426","0.001","1110.38","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O7 Zn2 -","- C21 H14 N6 O7 Zn2 -","- C42 H28 N12 O14 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.028","0.0241","","","0.0618","0.0642","","","","","","1.08","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230181","13.427","0.0014","17.2924","0.0019","9.1168","0.0011","90","","107.616","0.004","90","","2017.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N6 O6 Zn2 -","- C19 H13 N6 O6 Zn2 -","- C76 H52 N24 O24 Zn8 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0536","0.0349","","","0.0798","0.0877","","","","","","1.039","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230182","7.9093","0.0014","8.4758","0.0014","11.879","0.002","105.314","0.005","105.849","0.006","94.385","0.006","729.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N5 O5 Zn2 -","- C14 H8 N5 O5 Zn2 -","- C28 H16 N10 O10 Zn4 -","2","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0329","0.0267","","","0.0634","0.0662","","","","","","1.056","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230183","6.9787","0.0008","19.687","0.002","11.6833","0.0011","90","","92.269","0.004","90","","1603.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Mn2 N5 O6 -","- C13 H12 Mn2 N5 O6 -","- C52 H48 Mn8 N20 O24 -","4","1","","Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping","Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties","CrystEngComm","2018","20","14","1985","","10.1039/C8CE00030A","","","0.71073","MoKα","","0.0399","0.0327","","","0.0813","0.0844","","","","","","1.091","","","","has coordinates","229068","2020-10-21","18:00:00",""
"7230184","12.8967","0.0004","13.9278","0.0003","23.2246","0.0007","91.563","0.002","99.587","0.003","95.136","0.002","4093.1","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H97 Cl3 N16 -","- C101 H97 Cl3 N16 -","- C202 H194 Cl6 N32 -","2","1","","Lone, Shabir H.; Jameel, Salman; Bhat, Muzzaffar A.; Lone, Rayees A.; Butcher, Ray J.; Bhat, Khursheed A.","Synthesis of an unusual quinazoline alkaloid: theoretical and experimental investigations of its structural, electronic, molecular and biological properties","RSC Advances","2018","8","15","8259","","10.1039/C8RA00138C","","","1.54184","CuKα","","0.1073","0.0902","","","0.265","0.2826","","","","","","1.045","","","","has coordinates,has disorder","206642","2020-10-21","18:00:00",""
"7230185","7.5803","0.0007","10.411","0.001","19.476","0.002","90","","97.922","0.003","90","","1522.3","0.3","222","2","222.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O6 S -","- C13 H18 N4 O6 S -","- C52 H72 N16 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0521","0.0388","","","0.0961","0.103","","","","","","1.034","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230186","15.0591","0.0011","6.7221","0.0005","16.0418","0.0012","90","","90","","90","","1623.9","0.2","172","2","172.53","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H20 N4 O7 S -","- C13 H20 N4 O7 S -","- C52 H80 N16 O28 S4 -","4","0.5","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0367","0.034","","","0.0845","0.0867","","","","","","1.097","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230187","10.8939","0.0007","12.2771","0.0009","16.6849","0.0013","90","","90","","90","","2231.5","0.3","222","2","222.14","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N8 O6 S -","- C19 H30 N8 O6 S -","- C76 H120 N32 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0842","0.0627","","","0.1202","0.1295","","","","","","1.123","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230188","6.2433","0.0014","35.039","0.009","10.477","0.003","90","","94.424","0.009","90","","2285.1","1","172","2","172.13","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 N8 O7 S -","- C19 H32 N8 O7 S -","- C76 H128 N32 O28 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0431","0.039","","","0.0983","0.1004","","","","","","1.159","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230189","10.245","0.0013","25.069","0.002","8.5267","0.0009","90","","104.29","0.011","90","","2122.2","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","1,3-Bis[(E)-2-(methoxycarbonyl)-3-[6-(prop-2-ynyloxy)-naphthalen-2-yl]allyl]-1H-imidazol-3-ium chloride x 2CHCl3","","- C41 H35 Cl7 N2 O6 -","- C41 H35 Cl7 N2 O6 -","- C82 H70 Cl14 N4 O12 -","2","0.5","","Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea","Poly-histidine grafting leading to fishbone-like architectures","RSC Advances","2018","8","16","8638","","10.1039/C8RA00315G","","","0.71073","MoKα","","0.13","0.0748","","","0.1747","0.2125","","","","","","0.992","","","","has coordinates,has disorder","206674","2020-10-21","18:00:00",""
"7230190","7.203","0.0007","10.0784","0.0008","13.335","0.002","108.279","0.009","92.593","0.01","107.656","0.008","865.3","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 F3 N2 O -","- C20 H17 F3 N2 O -","- C40 H34 F6 N4 O2 -","2","1","","Sharma, Nutan; Sharma, Pankaj; Bhagat, Sunita","Eco-friendly reactions in PEG-400: a highly efficient and green approach for stereoselective access to multisubstituted 3,4-dihydro-2(1H)-quinazolines using 2-aminobenzylamines","RSC Advances","2018","8","16","8721","","10.1039/C7RA13487H","","","0.71073","MoKα","","0.1057","0.0852","","","0.2504","0.2691","","","","","","1.051","","","","has coordinates","206675","2020-10-21","18:00:00",""
"7230191","4.0055","0.0002","10.6493","0.0004","10.2948","0.0004","90","","100.172","0.004","90","","432.23","0.03","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0335","0.0278","","","0.0709","0.0739","","","","","","1.034","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230192","4.0549","0.0003","11.078","0.0005","9.8719","0.0005","90","","100.585","0.005","90","","435.9","0.04","313","2","313","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0447","0.0333","","","0.0825","0.0881","","","","","","1.04","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230193","4.0172","0.0002","10.6917","0.0004","10.2615","0.0004","90","","100.175","0.005","90","","433.81","0.03","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0351","0.0296","","","0.0764","0.079","","","","","","1.035","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230194","4.0686","0.0003","11.1298","0.0005","9.8431","0.0005","90","","100.64","0.006","90","","438.06","0.04","333","2","333","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0533","0.0385","","","0.0933","0.1002","","","","","","1.034","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230195","4.0233","0.0002","10.7193","0.0004","10.2355","0.0005","90","","100.184","0.005","90","","434.47","0.04","303","2","303","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0307","0.0228","","","0.05","0.0521","","","","","","1.042","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230196","4.0618","0.0003","11.1039","0.0005","9.8533","0.0005","90","","100.618","0.005","90","","436.79","0.04","323","2","323","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0391","0.0277","","","0.0636","0.0669","","","","","","1.069","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230197","4.0723","0.0003","11.1474","0.0006","9.8296","0.0006","90","","100.671","0.007","90","","438.5","0.05","343","2","343","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0526","0.0323","","","0.0672","0.0731","","","","","","1.05","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230198","4.0108","0.0002","10.6672","0.0004","10.2811","0.0004","90","","100.168","0.004","90","","432.96","0.03","283","2","283","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2,4,5-tetrabromobenzene","1,2,4,5-tetrabromobenzene","","- C6 H2 Br4 -","- C6 H2 Br4 -","- C12 H4 Br8 -","2","0.5","","Zakharov, Boris A.; Michalchuk, Adam A. L.; Morrison, Carole A.; Boldyreva, Elena V.","Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1,2,4,5-tetrabromobenzene.","Physical chemistry chemical physics : PCCP","2018","20","13","8523","8532","10.1039/c7cp08609a","","","0.71073","MoKα","","0.0355","0.0295","","","0.0776","0.0805","","","","","","1.042","","","","has coordinates","230932","2020-10-21","18:00:00",""
"7230199","10.687","0.0006","11.1135","0.0007","14.7255","0.0009","83.684","0.001","77.214","0.001","63.156","0.001","1521.68","0.16","150","","150","","","","","","","","","7","P -1","-P 1","2","","Di-m-phenylthio-bis(cyclopentadienyl carbonyl iron)","","- C15 H10 F2 Fe I O S -","- C15 H10 F2 Fe I O S -","- C60 H40 F8 Fe4 I4 O4 S4 -","4","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0619","0.037","","","0.0651","0.0731","","","","","","0.996","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230200","8.0151","0.0004","8.2003","0.0005","10.3911","0.0006","105.477","0.001","93.469","0.001","95.421","0.001","652.64","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","Dicarbonyl-(h5-cyclopentadienyl)-iodoiron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C10 H5 F2 Fe I2 O2 -","- C10 H5 F2 Fe I2 O2 -","- C20 H10 F4 Fe2 I4 O4 -","2","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0275","0.0258","","","0.0654","0.0665","","","","","","1.059","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230201","19.16","0.03","7.157","0.011","24.99","0.04","90","","90","","90","","3427","9","423","2","423.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-chloro-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Cl F4 Fe I2 O2 -","- C13 H5 Cl F4 Fe I2 O2 -","- C104 H40 Cl8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0491","0.029","","","0.0561","0.0631","","","","","","1.01","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230202","14.137","0.005","10.691","0.003","13.803","0.004","90","","95.373","0.005","90","","2077","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H12 Co F4 I3 O2 -","- C16 H12 Co F4 I3 O2 -","- C64 H48 Co4 F16 I12 O8 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.043","0.0383","","","0.0953","0.1021","","","","","","1.086","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230203","14.066","0.004","13.931","0.004","14.062","0.004","90","","117.28","0.005","90","","2449","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h4-tetramethylbutadiene)-iodo-cobalt","","- C10 H12 Co I O2 -","- C10 H12 Co I O2 -","- C80 H96 Co8 I8 O16 -","8","2","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0796","0.0489","","","0.0901","0.1028","","","","","","1.014","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230204","19.1299","0.0009","7.1259","0.0003","25.1867","0.0012","90","","90","","90","","3433.4","0.3","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Dicarbonyl-(h5-cyclopentadienyl)-bromo-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C13 H5 Br F4 Fe I2 O2 -","- C13 H5 Br F4 Fe I2 O2 -","- C104 H40 Br8 F32 Fe8 I16 O16 -","8","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0316","0.0227","","","0.0468","0.0499","","","","","","1.049","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230205","13.528","0.0004","11.6432","0.0004","11.7133","0.0004","90","","114.974","","90","","1672.45","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dicarbonyl-(h5-cyclopentadienyl)-telleurophenyl-iron 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C16 H10 F2 Fe I O2 Te -","- C16 H10 F2 Fe I O2 Te -","- C64 H40 F8 Fe4 I4 O8 Te4 -","4","1","","Torubaev, Yury V.; Skabitskiy, Ivan V.; Rusina, Polina; Pasynskii, Alexander A.; Rai, Dhirendra K.; Singh, Ajeet","Organometallic halogen bond acceptors: directionality, hybrid cocrystal precipitation, and blueshifted CO ligand vibrational band","CrystEngComm","2018","20","16","2258","","10.1039/C7CE02185B","","","0.71073","MoKα","","0.0212","0.0183","","","0.0419","0.0431","","","","","","1.0103","","","","has coordinates","229020","2020-10-21","18:00:00",""
"7230206","7.527","0.0004","14.1483","0.0009","34.3682","0.0019","90","","90","","90","","3660","0.4","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide hydrochloride oxalic acid","4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide hydrochloride oxalic acid","","- C15 H24 Cl2 N3 O4 -","- C15 H24 Cl2 N3 O4 -","- C120 H192 Cl16 N24 O32 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0488","0.0384","","","0.0875","0.0928","","","","","","1.123","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230207","12.1124","0.0017","8.5524","0.0012","16.849","0.003","90","","98.605","0.007","90","","1725.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Metoclopramide HCl Monohydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H25 Cl2 N3 O3 -","- C14 H25 Cl2 N3 O3 -","- C56 H100 Cl8 N12 O12 -","4","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","0.71075","MoKα","","0.0394","0.0318","","","0.0737","0.0772","","","","","","1.045","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230208","14.6866","0.0004","7.0245","0.0002","33.0316","0.0009","90","","90","","90","","3407.74","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Metoclopramide HCl anhydrate","4-Amino-5-chloro-N-((2-diethylamino)-ethyl)-2-methoxybenzamide hydrochloride monohydrate","","- C14 H23 Cl2 N3 O2 -","- C14 H23 Cl2 N3 O2 -","- C112 H184 Cl16 N24 O16 -","8","1","","Nugraha, Yuda Prasetya; Uekusa, Hidehiro","Suppressed hydration in metoclopramide hydrochloride by salt cocrystallisation","CrystEngComm","2018","20","19","2653","","10.1039/C8CE00129D","","","1.54186","CuKα","","0.1485","0.0819","","","0.1996","0.2502","","","","","","0.98","","","","has coordinates","229015","2020-10-21","18:00:00",""
"7230209","17.5199","0.0018","17.5199","0.0018","10.0567","0.0014","90","","90","","90","","3086.9","0.6","230","","230","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C7 H22 O3 Si3 -","- C7 H22 O3 Si3 -","- C56 H176 O24 Si24 -","8","1","","Arzumanyan, Ashot V.; Goncharova, Irina K.; Novikov, Roman A.; Milenin, Sergey A.; Boldyrev, Konstantin L.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Smol'yakov, Alexander F.; Korlyukov, Alexander A.; Muzafarov, Aziz M.","Aerobic Co or Cu/NHPI-catalyzed oxidation of hydride siloxanes: synthesis of siloxanols","Green Chemistry","2018","20","7","1467","","10.1039/C8GC00424B","","x-ray","0.71073","MoKα","","0.1323","0.05","","","0.1118","0.1359","","","","","","0.945","","","","has coordinates","230108","2020-10-21","18:00:00",""
"7230210","33.6175","0.0018","33.6175","0.0018","20.9185","0.0013","90","","90","","120","","20473","2","173.15","","173.15","","","","","","","","","3","R -3","-R 3","148","","","","- C41 H59.33 O12.67 -","- C41 H56 O12.6667 -","- C738 H1008 O228 -","18","","","Payne, Richard M.; Oliver, Clive L.","A propanol-seamed C-methylcalix[4]resorcinarene hexamer accessible via solution crystallization, liquid-assisted grinding and vapour sorption","CrystEngComm","2018","","","","","10.1039/C8CE00294K","","","0.71073","MoKα","","0.2085","0.1158","","","0.3286","0.3975","","","","","","1.165","","","","has coordinates,has disorder","206743","2020-10-21","18:00:00",""
"7230211","7.431","0.0015","8.7786","0.0018","10.589","0.002","87.15","0.03","82.23","0.03","82.29","0.03","677.9","0.2","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","- C20 H12 Cl8 Cu2 F4 N4 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0559","0.0406","","","0.0825","0.0887","","","","","","1.063","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230212","14.396","0.003","14.183","0.003","15.458","0.003","90","","114.23","0.03","90","","2878.1","1.2","170","0.1","170","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H12 Cl12 Cu2 N4 -","- C20 H12 Cl12 Cu2 N4 -","- C80 H48 Cl48 Cu8 N16 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0237","0.0202","","","0.0503","0.052","","","","","","1.037","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230213","8.2021","0.0004","12.8425","0.0007","14.6338","0.0006","90","","91.109","0.005","90","","1541.17","0.13","120","0.1","120","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","1.54184","CuKα","","0.0446","0.0419","","","0.1009","0.1032","","","","","","1.077","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230214","3.7208","0.0001","15.9058","0.0005","11.7364","0.0005","90","","94.532","0.003","90","","692.42","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Cu F2 N2 -","- C10 H8 Cl2 Cu F2 N2 -","- C20 H16 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.1281","0.1171","","","0.2838","0.3002","","","","","","1.323","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230215","8.1656","0.0016","12.708","0.003","14.591","0.003","90","","91.79","0.03","90","","1513.3","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl4 Cu N2 -","- C10 H6 Br2 Cl4 Cu N2 -","- C40 H24 Br8 Cl16 Cu4 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0277","0.0237","","","0.0526","0.0543","","","","","","1.06","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230216","8.4827","0.0017","13.075","0.003","14.721","0.003","90","","90.35","0.03","90","","1632.7","0.6","170","0.1","170","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0316","0.0243","","","0.0495","0.0514","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230217","7.8894","0.0016","14.316","0.003","13.494","0.003","90","","92.06","0.03","90","","1523.1","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Br4 Cl8 Cu2 N4 -","- C20 H12 Br4 Cl8 Cu2 N4 -","- C40 H24 Br8 Cl16 Cu4 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0259","0.0212","","","0.045","0.0466","","","","","","1.051","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230218","4.0102","0.0007","8.4892","0.0013","10.1403","0.0013","90.863","0.012","92.738","0.013","97.811","0.014","341.54","0.09","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","1","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","x-ray","0.71073","MoKα","","0.0307","0.0263","","","0.0582","0.0608","","","","","","1.092","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230219","5.7104","0.0011","11.981","0.002","10.478","0.002","90","","103.66","0.03","90","","696.6","0.2","170","0.1","170","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C10 H6 Br2 Cl2 Cu F2 N2 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","2","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0261","0.0206","","","0.0471","0.0488","","","","","","1.042","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230220","14.946","0.003","15.233","0.003","6.7384","0.0013","90","","91.82","0.03","90","","1533.4","0.5","170","0.1","170","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C20 H12 Br4 Cl4 Cu2 F4 N4 -","- C40 H24 Br8 Cl8 Cu4 F8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0226","0.0197","","","0.0473","0.0483","","","","","","1.079","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230221","8.3678","0.0017","13.106","0.003","14.7","0.003","90","","90.12","0.03","90","","1612.1","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C40 H24 Cl16 Cu4 I8 N8 -","4","0.5","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0434","0.0291","","","0.0503","0.0537","","","","","","1.02","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230222","8.0829","0.0016","14.605","0.003","13.664","0.003","90","","91.89","0.03","90","","1612.2","0.6","170","0.1","170","0.1","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C20 H12 Cl8 Cu2 I4 N4 -","- C20 H12 Cl8 Cu2 I4 N4 -","- C40 H24 Cl16 Cu4 I8 N8 -","2","0.25","","Puttreddy, Rakesh; von Essen, Carolina; Peuronen, Anssi; Lahtinen, Manu; Rissanen, Kari","Halogen bonds in 2,5-dihalopyridine-copper(ii) chloride complexes","CrystEngComm","2018","20","14","1954","","10.1039/C8CE00209F","","","0.71073","MoKα","","0.0215","0.0192","","","0.043","0.044","","","","","","1.067","","","","has coordinates","229064","2020-10-21","18:00:00",""
"7230223","7.31","0.003","11.315","0.004","13.857","0.005","71.67","0.03","89.38","0.03","77.11","0.03","1058.4","0.7","240.01","0.1","240.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C12 H28 Bi4 Cl16 N8 O4 -","2","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","","0.71073","MoKα","","0.038","0.0268","","","0.0502","0.0541","","","","","","1.052","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230224","7.449","0.003","13.654","0.004","20.679","0.006","90","","90","","90","","2103.2","1.2","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl8 N4 O2 Sb2 -","- C6 H14 Cl8 N4 O2 Sb2 -","- C24 H56 Cl32 N16 O8 Sb8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0254","0.0226","","","0.048","0.0493","","","","","","1.097","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230225","13.773","0.004","7.213","0.003","21.91","0.006","90","","107.53","0.03","90","","2075.6","1.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Bi2 Cl8 N4 O2 -","- C6 H14 Bi2 Cl8 N4 O2 -","- C24 H56 Bi8 Cl32 N16 O8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0437","0.0307","","","0.0603","0.0646","","","","","","1.044","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230226","28.529","0.003","14.5251","0.0015","13.6581","0.0014","90","","100.636","0.003","90","","5562.5","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.3 H45.4 La2 N2 O24 -","- C39.3 H33.3 La2 N2 O24 -","- C157.2 H133.2 La8 N8 O96 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0611","0.0454","","","0.1326","0.1422","","","","","","1.11","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230227","28.4907","0.0017","14.4061","0.0009","13.6706","0.0008","90","","99.059","0.002","90","","5541","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H41 Eu2 N2 O22 -","- C39 H33 Eu2 N2 O22 -","- C156 H132 Eu8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0448","0.0345","","","0.0941","0.1014","","","","","","1.084","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230228","28.754","0.004","14.412","0.002","13.787","0.002","90","","97.044","0.004","90","","5670.2","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H20.5 N O10.75 Sm -","- C19.5 H16.5 N O10.75 Sm -","- C156 H132 N8 O86 Sm8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0785","0.0539","","","0.1316","0.1425","","","","","","1.114","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230229","28.477","0.004","14.5281","0.0018","13.6564","0.0017","90","","100.456","0.003","90","","5556.1","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.65 H22.7 Ce N O12 -","- C19.65 H16.65 Ce N O12 -","- C157.2 H133.2 Ce8 N8 O96 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0628","0.0469","","","0.1344","0.1437","","","","","","1.077","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230230","28.214","0.006","14.429","0.003","13.411","0.003","90","","100.77","0.03","90","","5363","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N O11 Tb -","- C20 H17 N O11 Tb -","- C160 H136 N8 O88 Tb8 -","8","1","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0724","0.0718","","","0.2235","0.2259","","","","","","1.058","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230231","28.445","0.006","14.543","0.003","13.394","0.003","90","","101.85","0.03","90","","5423","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C39 H33 Eu0.2 La0.88 N2 O26 Tb0.92 -","- C156 H132 Eu0.8 La3.52 N8 O104 Tb3.68 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0632","0.0579","","","0.1735","0.1782","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230232","28.56","0.002","14.3583","0.0011","13.7162","0.0011","90","","97.985","0.002","90","","5570.1","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H39.2 N1.2 Nd2 O23 -","- C37 H27.8 N1.2 Nd2 O23 -","- C148 H111.2 N4.8 Nd8 O92 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0622","0.0414","","","0.1057","0.1138","","","","","","1.068","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230233","28.4551","0.0016","14.2978","0.0008","13.6672","0.0008","90","","98.243","0.001","90","","5503","0.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Dy2 N2 O22 -","- C39 H33 Dy2 N2 O22 -","- C156 H132 Dy8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0419","0.0356","","","0.0911","0.0963","","","","","","1.126","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230234","28.533","0.006","14.512","0.003","13.441","0.003","90","","101.87","0.03","90","","5447","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H48 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C39 H33 Eu0.22 La1.32 N2 O26 Tb0.46 -","- C156 H132 Eu0.88 La5.28 N8 O104 Tb1.84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71","MoKα","","0.0797","0.0745","","","0.215","0.2208","","","","","","1.082","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230235","28.4713","0.0018","14.2708","0.0009","13.643","0.0009","90","","97.961","0.002","90","","5489.8","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H47 Er2 N3 O22 -","- C42 H40 Er2 N3 O22 -","- C168 H160 Er8 N12 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0365","0.0304","","","0.077","0.0814","","","","","","1.122","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230236","28.48","0.004","14.496","0.0015","13.6564","0.0014","90","","100.308","0.005","90","","5547","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H46 N2 O24 Pr2 -","- C39 H33 N2 O24 Pr2 -","- C156 H132 N8 O96 Pr8 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0573","0.0413","","","0.1212","0.1294","","","","","","1.078","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230237","28.7055","0.0013","14.4824","0.0007","13.5829","0.0006","90","","97.525","0.001","90","","5598.1","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Gd2 N2 O22 -","- C39 H32 Gd2 N2 O22 -","- C156 H128 Gd8 N8 O88 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0529","0.0445","","","0.1214","0.1283","","","","","","1.066","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230238","28.5245","0.0017","14.3258","0.0009","13.6361","0.0008","90","","97.979","0.002","90","","5518.3","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.2 H44 Ho2 N2.4 O21 -","- C39.2 H34.8 Ho2 N2.4 O21 -","- C156.8 H139.2 Ho8 N9.6 O84 -","4","0.5","","An, Yan-Yan; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li","Efficient pure white light emission based on a three-component La:Eu,Tb-doped luminescent lanthanide metal‒organic framework","CrystEngComm","2018","20","14","2043","","10.1039/C8CE00008E","","","0.71073","MoKα","","0.0413","0.0347","","","0.0898","0.0951","","","","","","1.094","","","","has coordinates,has disorder","229066","2020-10-21","18:00:00",""
"7230239","17.465","0.003","15.707","0.003","25.981","0.004","90","","110.398","0.003","90","","6680","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68.2 H85.4 Br2 N3 O1.8 -","- C61 H71 Br2 N3 -","- C244 H284 Br8 N12 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2138","0.1276","","","0.3386","0.3937","","","","","","1.098","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230240","12.424","0.0008","23.045","0.0015","15.197","0.0008","90","","99.05","0.007","90","","4296.9","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene-5,11-diium dichloride","","- C48 H50 Cl2 N2 -","- C48 H50 Cl2 N2 -","- C192 H200 Cl8 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1205","0.0787","","","0.1945","0.2219","","","","","","1.027","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230241","22.071","0.003","25.991","0.003","28.554","0.004","90","","90","","90","","16380","4","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C68 H90 Br2 N2 O3 -","- C56 H66 Br2 N2 -","- C448 H528 Br16 N16 -","8","","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.2964","0.2302","","","0.5471","0.5847","","","","","","1.876","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230242","24.343","0.003","15.987","0.004","17.571","0.005","90","","90","","90","","6838","3","295","2","295","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","5,5,11,11-tetrabutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11- diazadibenzo[ef,kl]heptalene-5,11-diium-bromide","","- C72 H98 Br2 N2 O4 -","- C56 H66 Br2 N2 -","- C224 H264 Br8 N8 -","4","0.5","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1862","0.1047","","","0.2801","0.3288","","","","","","1.043","","","","has coordinates","206757","2020-10-21","18:00:00",""
"7230243","15.0148","0.0017","9.6841","0.0011","25.874","0.003","90","","100.421","0.003","90","","3700.1","0.7","123","3","123","3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N-((6-butyl-2,4,8,10-tetraphenyl-6,7-dihydro-5H-dibenzo[c,e]azepin-1-yl)methyl)-N-ethylbutan-1-amine","","- C48 H48 N2 -","- C48 H48 N2 -","- C192 H192 N8 -","4","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71073","MoKα","","0.1207","0.0681","","","0.1306","0.1512","","","","","","0.978","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230244","12.2542","0.0011","12.3204","0.0011","12.461","0.0011","91.981","0.007","106.699","0.007","93.107","0.007","1796.9","0.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","5,11-dibutyl-1,3,7,9-tetraphenyl-4,5,6,10,11,12-hexahydro-5,11-diazadibenzo[ef,kl]heptalene","","- C48 H48 N2 -","- C48 H48 N2 -","- C96 H96 N4 -","2","1","","Horvath, Daniel Vajk Daniel; Holczbauer, Tamas; Bereczki, Laura; Palko, Roberta; Nagy, Nora V.; Soos, Tibor; Bombicz, Petra Alexandra","Polymorphism of a porous hydrogen bond assisted ionic organic framework","CrystEngComm","2018","","","","","10.1039/C8CE00041G","","","0.71075","MoKα","","0.0777","0.0471","","","0.1044","0.1257","","","","","","1.099","","","","has coordinates,has disorder","206757","2020-10-21","18:00:00",""
"7230245","16.5711","0.0007","14.2773","0.0005","18.0085","0.0007","90","","90","","90","","4260.6","0.3","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Cl4 Hg2 N8 O4 -","- C40 H36 Cl4 Hg2 N8 O4 -","- C160 H144 Cl16 Hg8 N32 O16 -","4","0.5","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0429","0.031","","","0.0704","0.075","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230246","14.925","0.0005","17.9225","0.0006","9.7074","0.0003","90","","99.086","0.002","90","","2564.08","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Hg I2 N5 O2 -","- C22 H21 Hg I2 N5 O2 -","- C88 H84 Hg4 I8 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0825","0.0448","","","0.1121","0.1254","","","","","","1.042","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230247","16.5731","0.0007","14.3971","0.0005","18.3341","0.0007","90","","90","","90","","4374.6","0.3","300","2","300","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Br2 Hg N4 O2 -","- C20 H18 Br2 Hg N4 O2 -","- C160 H144 Br16 Hg8 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0789","0.0403","","","0.0746","0.0852","","","","","","0.966","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230248","16.9633","0.0005","9.3636","0.0002","29.0993","0.0007","90","","90","","90","","4622.1","0.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H18 Hg I2 N4 O2 -","- C20 H18 Hg I2 N4 O2 -","- C160 H144 Hg8 I16 N32 O16 -","8","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.0771","0.0334","","","0.0487","0.0577","","","","","","0.975","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230249","14.4848","0.0006","18.1541","0.0007","9.5331","0.0003","90","","98.561","0.003","90","","2478.88","0.16","299","2","299","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Br2 Hg N5 O2 -","- C22 H21 Br2 Hg N5 O2 -","- C88 H84 Br8 Hg4 N20 O8 -","4","1","","Mahat Chhetri, Pradhumna; Yang, Xiang-Kai; Chen, Jhy-Der","Mercury halide coordination polymers exhibiting reversible structural transformation","CrystEngComm","2018","20","15","2126","","10.1039/C8CE00086G","","","0.71073","MoKα","","0.1003","0.0471","","","0.0899","0.1071","","","","","","1.002","","","","has coordinates","229091","2020-10-21","18:00:00",""
"7230250","6.711","0.002","14.834","0.005","12.391","0.004","90","","104.88","0.03","90","","1192.2","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl2 N2 O4 -","- C11 H8 Cl2 N2 O4 -","- C44 H32 Cl8 N8 O16 -","4","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0386","0.033","","","0.0787","0.0808","","","","","","1.133","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230251","8.463","0.003","8.976","0.003","10.962","0.004","95.57","0.02","111.82","0.03","109.33","0.02","706.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C26 H24 Cl4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0529","0.0464","","","0.1261","0.1326","","","","","","1.071","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230252","8.45","0.004","9.153","0.002","10.952","0.004","67.5","0.03","67.45","0.02","72.56","0.03","711","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Br2 N2 O4 -","- C13 H12 Br2 N2 O4 -","- C26 H24 Br4 N4 O8 -","2","1","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0305","0.0267","","","0.0744","0.077","","","","","","1.069","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230253","20.001","0.002","4.845","0.004","16.024","0.004","90","","125.35","0.03","90","","1266.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 Br2 N2 O4 -","- C11 H8 Br2 N2 O4 -","- C44 H32 Br8 N8 O16 -","4","0.5","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0413","0.0376","","","0.0903","0.092","","","","","","1.228","","","","has coordinates,has disorder","229063","2020-10-21","18:00:00",""
"7230254","13.379","0.007","14.992","0.003","16.043","0.004","113.9","0.04","103.69","0.03","98.24","0.02","2753","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 N2 O4 -","- C13 H12 Cl2 N2 O4 -","- C104 H96 Cl16 N16 O32 -","8","4","","Rok, M.; Bator, G.; Sawka-Dobrowolska, W.; Durlak, P.; Moskwa, M.; Medycki, W.; Sobczyk, L.; Zamponi, M.","Crystal structural analysis of methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H-NMR study and theoretical approach","CrystEngComm","2018","20","14","2016","","10.1039/C8CE00040A","","","0.71073","MoKα","","0.0897","0.0564","","","0.1414","0.1562","","","","","","1.041","","","","has coordinates","229063","2020-10-21","18:00:00",""
"7230255","21.288","0.0012","15.5482","0.0009","22.5226","0.0013","90","","90.53","0.001","90","","7454.4","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H70 Ag10 F18 O7 -","- C58 H66 Ag10 F18 O7 -","- C232 H264 Ag40 F72 O28 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0413","0.0353","","","0.0739","0.0781","","","","","","1.188","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230256","15.9191","0.0012","18.5105","0.0014","16.4798","0.0013","90","","106.631","0.002","90","","4653","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H84 Ag12 F24 O10 -","- C70 H76 Ag12 F24 O10 -","- C140 H152 Ag24 F48 O20 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0634","0.0588","","","0.1559","0.1584","","","","","","1.156","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230257","15.8413","0.0016","17.2728","0.0017","20.951","0.002","97.908","0.002","91.893","0.002","110.129","0.002","5311.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H102 Ag16 Cl F21 O8 -","- C83 H102 Ag16 Cl F21 O8 -","- C166 H204 Ag32 Cl2 F42 O16 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0788","0.0573","","","0.1135","0.1302","","","","","","1.167","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230258","14.4518","0.0011","18.034","0.0014","24.852","0.0019","69.198","0.002","73.412","0.002","68.675","0.002","5548.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H110 Ag17 F21 O10 -","- C88 H110 Ag16.994 F21 O10 -","- C176 H220 Ag33.988 F42 O20 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0575","0.0463","","","0.1054","0.1137","","","","","","1.138","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230259","14.1186","0.001","18.0195","0.0012","26.5054","0.0019","90.783","0.002","92.624","0.002","100.746","0.002","6616.3","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H149 Ag22 F9 N2 O14 P2 -","- C101 H145 Ag22 F9 N2 O14 P2 -","- C202 H290 Ag44 F18 N4 O28 P4 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0735","0.0663","","","0.1546","0.16","","","","","","1.174","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230260","22.419","0.004","19.817","0.003","27.289","0.004","90","","106.543","0.004","90","","11622","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C172 H242 Ag40 F30 O33 P4 V2 -","- C172 H238 Ag40 F30 O33 P4 V2 -","- C344 H476 Ag80 F60 O66 P8 V4 -","2","0.5","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.1321","0.1009","","","0.2223","0.244","","","","","","1.09","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230261","19.6076","0.0011","27.3026","0.0017","28.806","0.0016","88.022","0.002","85.904","0.001","88.203","0.002","15365.9","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C228 H264 Ag48 F72 O38 V4 -","- C228 H258 Ag48 F72 O38 V4 -","- C456 H516 Ag96 F144 O76 V8 -","2","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0557","0.0389","","","0.0807","0.0909","","","","","","1.058","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230262","14.7978","0.0017","25.14","0.003","32.296","0.004","90","","90","","90","","12015","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H110 Ag19 F21 Mo O14 -","- C88 H110 Ag19 F21 Mo O14 -","- C352 H440 Ag76 F84 Mo4 O56 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0964","0.0927","","","0.2172","0.2198","","","","","","1.114","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230263","10.4959","0.0005","23.8566","0.0011","10.3499","0.0005","90","","106.471","0.005","90","","2485.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 S4 -","- C32 H22 S4 -","- C128 H88 S16 -","4","1","","Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Mapp, Lucy K.; Coles, Simon J.","High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC10H6)SS(C10H6SPh-8′)-1′ with the QTAIM approach: evidence for S4 σ(4c‒6e) at the naphthalene peri-positions","RSC Advances","2018","8","18","9651","","10.1039/C7RA13636F","","","0.71075","MoKα","","0.02","0.016","","","","0.023","","","","","","1.381","","","","has coordinates","206786","2020-10-21","18:00:00",""
"7230264","5.6642","0.0001","9.5973","0.0002","22.6622","0.0004","90","","90","","90","","1231.94","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-Isopropyl 2-hydroxy-3-nitro-2-phenylpropanoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","He, Feilong; Chen, Guanghui; Yang, Junxia; Liang, Guojuan; Deng, Ping; Xiong, Yan; Zhou, Hui","Catalytic enantioselective Henry reaction of α-keto esters, 2-acylpyridines and 2-acylpyridine N-oxides","RSC Advances","2018","8","17","9414","","10.1039/C8RA00552D","","","1.54178","CuKα","","0.0336","0.0331","","","0.1039","0.1046","","","","","","1.184","","","","has coordinates","206787","2020-10-21","18:00:00",""
"7230265","7.337","0.0003","10.4908","0.0004","23.2831","0.0009","90","","95.626","0.003","90","","1783.49","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Fe N -","- C25 H19 Fe N -","- C100 H76 Fe4 N4 -","4","1","","Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun","An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water","RSC Advances","2018","8","17","9555","","10.1039/C8RA01004H","","x-ray","0.71073","MoKα","","0.0388","0.0336","","","0.084","0.0878","","","","","","1.055","","","","has coordinates","206805","2020-10-21","18:00:00",""
"7230266","8.36603","0.00017","20.5582","0.0004","11.349","0.0002","90","","107.835","0.002","90","","1858.12","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun","An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water","RSC Advances","2018","8","17","9555","","10.1039/C8RA01004H","","x-ray","1.54184","CuKα","","0.042","0.0365","","","0.0899","0.0928","","","","","","1.015","","","","has coordinates","206805","2020-10-21","18:00:00",""
"7230267","13.022","0.002","22.619","0.004","12.962","0.002","90","","104.648","0.003","90","","3693.8","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CLD","","","- C15 H20 N28 O28 -","- C15 H20 N28 O28 -","- C60 H80 N112 O112 -","4","1","","Liu, Ning; Duan, Binghui; Lu, Xianming; Mo, Hongchang; Xu, Minghui; Zhang, Qian; Wang, Bozhou","Preparation of CL-20/DNDAP cocrystals by a rapid and continuous spray drying method: an alternative to cocrystal formation","CrystEngComm","2018","20","14","2060","","10.1039/C8CE00006A","","","0.71073","MoKα","","0.0539","0.0382","","","0.0922","0.1024","","","","","","1.013","","","","has coordinates","229067","2020-10-21","18:00:00",""
"7230268","7.0769","0.0008","12.5517","0.0014","17.9244","0.0018","82.908","0.005","87.892","0.005","84.717","0.005","1572.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H74 Fe2 N24 O8 -","- C54 H71.2 Fe2 N24 O8.2 -","- C54 H71.2 Fe2 N24 O8.2 -","1","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.1227","0.0864","","","0.2133","0.2351","","","","","","1.005","","","","has coordinates","229059","2020-10-21","18:00:00",""
"7230269","7.1019","0.0003","22.0731","0.001","20.6168","0.001","90","","92.075","0.001","90","","3229.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Fe2 N24 O13 -","- C54 H65 Fe2 N24 O13 -","- C108 H130 Fe4 N48 O26 -","2","0.5","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0599","0.0546","","","0.1362","0.1404","","","","","","1.038","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230270","7.0696","0.0001","35.4378","0.0007","12.7602","0.0003","90","","94.789","0.001","90","","3185.67","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.4 -","- C27 H34 Fe N12 O5.4 -","- C108 H136 Fe4 N48 O21.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0625","0.053","","","0.1381","0.1443","","","","","","1.022","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230271","7.0846","0.0005","35.531","0.002","12.6872","0.0008","90","","94.818","0.002","90","","3182.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5 -","- C27 H34 Fe N12 O5 -","- C108 H136 Fe4 N48 O20 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0554","0.0469","","","0.1135","0.1191","","","","","","1.045","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230272","7.0887","0.0001","35.4699","0.0007","12.8214","0.0002","90","","94.72","0.001","90","","3212.82","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Fe N12 O5.9 -","- C27 H33.588 Fe N12 O5.9 -","- C108 H134.352 Fe4 N48 O23.6 -","4","1","","Hu, Bo-Wen; Ferlay, Sylvie; Gruber-Kyritsakas, Nathalie; Hosseini, Mir Wais","Structural phase diagrams and isomerism inflexible honeycomb-like 2D hydrogen bonded solid solutions","CrystEngComm","2018","20","13","1853","","10.1039/C8CE00023A","","","0.71073","MoKα","","0.0595","0.0485","","","0.1179","0.1237","","","","","","1.078","","","","has coordinates,has disorder","229059","2020-10-21","18:00:00",""
"7230273","31.5773","0.0005","36.4648","0.0005","38.7297","0.0009","90","","107.41","0.002","90","","42552.7","1.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Gd45 O388 -","- C81 H168 Cl4 Co7 Gd45 O254 -","- C324 H672 Cl16 Co28 Gd180 O1016 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1308","0.0835","","","0.22","0.2517","","","","","","1.031","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230274","31.6894","0.001","36.5011","0.0011","39.6432","0.0015","90","","107.229","0.003","90","","43798","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Gd45 Ni7 O388 -","- C70 H148 Cl4 Gd45 Ni7 O251 -","- C280 H592 Cl16 Gd180 Ni28 O1004 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.2456","0.124","","","0.2658","0.3184","","","","","","1.053","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230275","31.4199","0.0009","36.1969","0.0008","39.2591","0.0013","90","","107.313","0.003","90","","42627","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Co7 Dy45 O388 -","- C82 H175 Cl4 Co7 Dy45 O253 -","- C328 H700 Cl16 Co28 Dy180 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1511","0.0873","","","0.2249","0.2611","","","","","","1.023","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230276","31.3304","0.0013","35.9748","0.001","39.1007","0.0015","90","","107.174","0.004","90","","42106","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H416 Cl25 Dy45 Ni7 O388 -","- C82 H176 Cl4 Dy45 Ni7 O253 -","- C328 H704 Cl16 Dy180 Ni28 O1012 -","4","1","","Fan, Shen; Xu, Su-Hui; Zheng, Xiu-Ying; Yan, Zhi-Hao; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun","Four 3d‒4f heterometallic Ln45M7 clusters protected by mixed ligands","CrystEngComm","2018","20","15","2120","","10.1039/C8CE00173A","","","0.71073","MoKα","","0.1762","0.1043","","","0.2529","0.3065","","","","","","0.971","","","","has coordinates,has disorder","229090","2020-10-21","18:00:00",""
"7230277","27.0371","0.0012","7.9845","0.0003","6.4776","0.0003","90","","90","","90","","1398.37","0.1","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C2 H19 Co Mo N6 O11 -","- C2 H19 Co Mo N6 O11 -","- C8 H76 Co4 Mo4 N24 O44 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0254","0.0223","","","0.0558","0.0567","","","","","","1.075","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230278","10.2131","0.0003","13.1299","0.0004","13.2356","0.0003","79.39","0.002","84.259","0.002","77.997","0.002","1702.85","0.08","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","- C12 H96 Co4 Mo6 N24 O54 -","1","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0324","0.0226","","","0.0462","0.0473","","","","","","0.908","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230279","10.7699","0.0005","22.3609","0.0009","15.1262","0.0008","90","","90","","90","","3642.8","0.3","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H46 Co2 Mo2 N8 O28 -","- C16 H44 Co2 Mo2 N8 O28 -","- C64 H176 Co8 Mo8 N32 O112 -","4","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0659","0.0423","","","0.0855","0.0946","","","","","","1.033","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230280","13.5465","0.0003","11.691","0.0003","28.9847","0.0007","90","","90","","90","","4590.37","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H64 Co2 Mo3 N12 O29 -","- C18 H50 Co2 Mo3 N12 O29 -","- C72 H200 Co8 Mo12 N48 O116 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0425","0.0311","","","0.067","0.0688","","","","","","0.913","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230281","12.8719","0.001","10.4734","0.0007","14.5744","0.001","90","","112.997","0.008","90","","1808.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H44 Co2 Mo2 N8 O27 -","- C16 H36 Co2 Mo2 N8 O27 -","- C32 H72 Co4 Mo4 N16 O54 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0662","0.0462","","","0.1202","0.1248","","","","","","0.984","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230282","10.0883","0.0012","11.928","0.0013","15.268","0.004","67.802","0.007","86.402","0.002","75.04","0.01","1642.2","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H48 Co2 Mo N8 O23 -","- C14 H46 Co2 Mo N8 O23 -","- C28 H92 Co4 Mo2 N16 O46 -","2","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0802","0.0571","","","0.132","0.1378","","","","","","0.911","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230283","10.5531","0.0003","16.1106","0.0006","23.2787","0.0007","90","","90","","90","","3957.8","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H50 Co2 Mo4 N12 O34 -","- C8 H49 Co2 Mo4 N12 O34 -","- C32 H196 Co8 Mo16 N48 O136 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0233","0.0198","","","0.0421","0.0426","","","","","","0.964","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230284","13.5099","0.001","17.5536","0.001","9.9621","0.0008","90","","87.737","0.006","90","","2360.6","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Co2 Mo4 N12 O33 -","- C20 H60 Co2 Mo4 N12 O33 -","- C40 H120 Co4 Mo8 N24 O66 -","2","0.5","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.1009","0.0534","","","0.1317","0.1406","","","","","","0.893","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230285","9.4619","0.0004","9.7534","0.0004","10.5387","0.0005","68.185","0.004","78.205","0.004","88.782","0.004","882.26","0.07","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Teng, Qing-Hu; Peng, Xiang-Jun; Mo, Zu-Yu; Xu, Yan-Li; Tang, Hai-Tao; Wang, Heng-Shan; Sun, Hong-Bin; Pan, Ying-Ming","Transition-metal-free C‒N and C‒C formation: synthesis of benzo[4,5]imidazo[1,2-a]pyridines and 2-pyridones from ynones","Green Chemistry","2018","20","9","2007","","10.1039/C8GC00069G","","x-ray","1.54184","CuKα","","0.0444","0.0421","","","0.1111","0.1132","","","","","","1.031","","","","has coordinates","230111","2020-10-21","18:00:00",""
"7230286","10.6279","0.001","15.8991","0.001","13.4801","0.001","90","","100.33","0.009","90","","2240.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cl3 N2 -","- C25 H19 Cl3 N2 -","- C100 H76 Cl12 N8 -","4","1","","Teng, Qing-Hu; Peng, Xiang-Jun; Mo, Zu-Yu; Xu, Yan-Li; Tang, Hai-Tao; Wang, Heng-Shan; Sun, Hong-Bin; Pan, Ying-Ming","Transition-metal-free C‒N and C‒C formation: synthesis of benzo[4,5]imidazo[1,2-a]pyridines and 2-pyridones from ynones","Green Chemistry","2018","20","9","2007","","10.1039/C8GC00069G","","x-ray","0.71073","MoKα","","0.1164","0.084","","","0.2101","0.2443","","","","","","1.049","","","","has coordinates","230111","2020-10-21","18:00:00",""
"7230287","6.9761","0.0006","7.6181","0.0006","8.3283","0.0007","90","","94.646","0.004","90","","441.15","0.06","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C18 H26 N2 O4 -","2","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0718","0.0709","","","0.2021","0.2041","","","","","","1.114","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230288","6.7615","0.0003","18.9173","0.0007","7.8044","0.0003","90","","105.934","0.0019","90","","959.9","0.07","100","2","99.98","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Methoxybenzylammonium Formate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0281","0.0272","","","0.0738","0.0747","","","","","","1.052","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230289","16.7899","0.001","4.7766","0.0003","11.55","0.0006","90","","104.162","0.003","90","","898.14","0.09","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Chlorobenzylammonium Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0472","0.0446","","","0.1072","0.1085","","","","","","1.143","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230290","6.9086","0.0003","17.9665","0.0007","9.184","0.0003","90","","90","","90","","1139.95","0.08","111","2","110.96","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-Naphthylethylammonium Formate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0313","0.0299","","","0.0793","0.081","","","","","","1.04","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230291","8.5468","0.0005","11.0536","0.0007","17.5296","0.001","90","","90","","90","","1656.07","0.17","100","2","99.99","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Benzylammonium Formate","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0398","0.0354","","","0.0975","0.1027","","","","","","1.045","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230292","16.9827","0.0008","4.8029","0.0002","11.5315","0.0006","90","","103.947","0.003","90","","912.85","0.08","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0435","0.0365","","","0.0982","0.1046","","","","","","0.945","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230293","17.09","0.008","4.909","0.002","11.565","0.006","90","","109.75","0.03","90","","913.2","0.8","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylbenzylammonium Formate","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.072","0.0483","","","0.1261","0.1418","","","","","","1.024","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230294","16.7551","0.0013","4.8441","0.0004","11.4478","0.0009","90","","109.041","0.003","90","","878.3","0.12","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorobenzylammonum Formate","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Oberle, Carl D.; Bequette, Dylan G.; Brewer, Taylor K.; Terry, Traviona R. R.; Beatty, Alicia M.","π-Choreography in aromatic ammonium formate solids","CrystEngComm","2018","20","13","1899","","10.1039/C8CE00198G","","","0.71073","MoKα","","0.0242","0.0231","","","0.0648","0.0657","","","","","","1.103","","","","has coordinates","229057","2020-10-21","18:00:00",""
"7230295","8.6054","0.0008","16.7131","0.0015","39.418","0.003","90","","92.227","0.002","90","","5664.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H76 N4 O20 P6 Zn2 -","- C44 H76 N4 O20 P6 Zn2 -","- C176 H304 N16 O80 P24 Zn8 -","4","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.1062","0.0695","","","0.1614","0.174","","","","","","1.043","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230296","12.2401","0.0004","12.5701","0.0004","13.419","0.0005","93.658","0.002","94.07","0.002","94.367","0.002","2048.47","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cu2 N4 O15 P4 -","- C40 H38 Cu2 N4 O15 P4 -","- C80 H76 Cu4 N8 O30 P8 -","2","1","","Bulut, Aysun; Maares, Maria; Atak, Kaan; Zorlu, Yunus; Çoşut, Bünyemin; Zubieta, Jon; Beckmann, Jens; Haase, Hajo; Yücesan, Gündoğ","Mimicking cellular phospholipid bilayer packing creates predictable crystalline molecular metal‒organophosphonate macrocycles and cages","CrystEngComm","2018","20","15","2152","","10.1039/C8CE00072G","","","0.71073","MoKα","","0.0443","0.0314","","","0.0735","0.0788","","","","","","1.071","","","","has coordinates","229098","2020-10-21","18:00:00",""
"7230297","7.81632","0.00004","7.81632","0.00004","4.01147","0.00003","90","","90","","120","","212.246","0.002","305","","305","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F9 Sc3 -","3","0.125","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.098","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230298","7.8163","0.00004","7.8163","0.00004","8.02294","0.00005","90","","90","","120","","424.489","0.004","305","","305","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Scandium Fluoride","","- F3 Sc -","- F3 Sc -","- F18 Sc6 -","6","0.25","","Kasatkin, Igor A.; Gulina, Larisa B.; Platonova, Natalia V.; Tolstoy, Valeri P.; Murin, Igor V.","Strong negative thermal expansion in the hexagonal polymorph of ScF3","CrystEngComm","2018","20","20","2768","","10.1039/C8CE00257F","","","1.54056","","","0.094","","","","","","","","","","","","","","","has coordinates","229044","2020-10-21","18:00:00",""
"7230299","11.7678","0.0007","7.1966","0.0005","17.1615","0.0011","90","","90","","90","","1453.38","0.16","100","2","100.05","","","","","","","","","4","P b c a","-P 2ac 2ab","61","Acetaminophen","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Bolla, Geetha; Myerson, Allan S.","SURMOF induced polymorphism and crystal morphological engineering of acetaminophen polymorphs: advantage of heterogeneous nucleation","CrystEngComm","2018","20","15","2084","","10.1039/C8CE00272J","","","0.71073","MoKα","","0.0417","0.0386","","","0.1131","0.116","","","","","","1.082","","","","has coordinates","229097","2020-10-21","18:00:00",""
"7230300","11.491","0.0001","13.4946","0.0001","18.7471","0.0002","90","","90","","90","","2907.05","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C128 H160 O36 -","4","1","","Sun, Dong-Mei; An, Fa-Liang; Wei, Shan-Shan; Zhang, Yan-Qiu; Wang, Xiao-Bing; Luo, Jun; Kong, Ling-Yi","Cipadessains A‒K, eleven limonoids from the fruits of Cipadessa cinerascens","RSC Advances","2018","8","19","10437","","10.1039/C8RA00728D","","","1.54184","CuKα","","0.0449","0.042","","","0.1148","0.1182","","","","","","1.033","","","","has coordinates,has disorder","206957","2020-10-21","18:00:00",""
"7230301","6.0145","0.0003","8.0625","0.0005","16.0814","0.0009","96.122","0.002","94.613","0.002","100.073","0.002","759.5","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C32 H48 O6 -","2","1","","Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi","Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process","Green Chemistry","2018","20","9","1998","","10.1039/C7GC03674D","","","0.71073","MoKα","","0.0731","0.0484","","","0.12","0.1334","","","","","","1.04","","","","has coordinates","230110","2020-10-21","18:00:00",""
"7230302","15.6175","0.0013","8.4961","0.0007","12.67","0.001","90","","96.193","0.002","90","","1671.3","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi","Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process","Green Chemistry","2018","20","9","1998","","10.1039/C7GC03674D","","","0.71073","MoKα","","0.1022","0.0614","","","0.1201","0.1374","","","","","","0.994","","","","has coordinates","230110","2020-10-21","18:00:00",""
"7230303","12.9802","0.0006","8.6558","0.0004","32.2944","0.0013","90","","94.115","0.001","90","","3619.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 O6 -","- C36 H56 O6 -","- C144 H224 O24 -","4","1","","Wang, Yanliang; Guo, Xiangguang; Bi, Yanfeng; Su, Jia; Kong, Weichang; Sun, Xiaoqi","Enrichment of trace rare earth elements from the leaching liquor of ion-absorption minerals using a solid complex centrifugal separation process","Green Chemistry","2018","20","9","1998","","10.1039/C7GC03674D","","","0.71073","MoKα","","0.1159","0.0761","","","0.1965","0.2222","","","","","","1.014","","","","has coordinates,has disorder","230110","2020-10-21","18:00:00",""
"7230304","15.225","0.003","19.518","0.004","10.927","0.002","90","","93.42","0.03","90","","3241.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 Cu3 N6 O10 -","- C24 H22 Cu3 N4 O10 -","- C96 H88 Cu12 N16 O40 -","4","0.5","","Yuan, Jiaqi; Mu, Li; Li, Jiantang; Zhang, Lirong; Li, Guanghua; Huo, Qisheng; Liu, Yunling","A water stable microporous metal‒organic framework based on rod SBUs: synthesis, structure and adsorption properties","CrystEngComm","2018","20","15","2169","","10.1039/C8CE00064F","","","0.71073","MoKα","","0.0217","0.0192","","","0.0522","0.053","","","","","","1.088","","","","has coordinates","229096","2020-10-21","18:00:00",""
"7230305","7.809","0.007","19.125","0.018","24.66","0.02","90","","90.42","","90","","3683","6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N7 Pt -","- C44 H34 N7 Pt -","- C176 H136 N28 Pt4 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Zhang, Da-Shuai; Qi, Xiao-Wei; Shi, Zai-Feng; Lin, Qiang","Solvent-tuned charge-transfer properties of chiral Pt(ii) complex and TCNQ˙− anion adducts","RSC Advances","2018","8","20","10756","","10.1039/C8RA01330F","","","0.71073","MoKα","","0.1833","0.1037","","","0.2289","0.2525","","","","","","1.082","","","","has coordinates","207001","2020-10-21","18:00:00",""
"7230306","10.4848","0.0004","10.6394","0.0004","13.7737","0.0005","109.254","0.002","100.428","0.002","108.162","0.002","1307.48","0.09","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N6 O9 Tb -","- C26 H25 N6 O9 Tb -","- C52 H50 N12 O18 Tb2 -","2","1","","Goel, Nidhi; Kumar, Naresh","A dual-functional luminescent Tb(iii) metal‒organic framework for the selective sensing of acetone and TNP in water","RSC Advances","2018","8","20","10746","","10.1039/C7RA13494K","","","0.71073","MoKα","","0.0432","0.032","","","0.0897","0.0994","","","","","","0.779","","","","has coordinates","207002","2020-10-21","18:00:00",""
"7230307","9.7557","0.0004","10.0386","0.0004","11.7809","0.0004","90","","100.132","0.003","90","","1135.75","0.08","270","2","270","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1072","0.0753","","","0.2202","0.2453","","","","","","1.049","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230308","9.6547","0.0005","10.057","0.0005","11.7482","0.0005","90","","100.553","0.004","90","","1121.42","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0768","0.051","","","0.126","0.1424","","","","","","1.053","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230309","18.786","0.003","20.184","0.003","11.6566","0.0017","90","","101.624","0.009","90","","4329.3","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1697","0.0736","","","0.1309","0.1626","","","","","","0.94","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230310","18.9397","0.0012","20.1917","0.0012","11.7038","0.0007","90","","101.45","0.003","90","","4386.7","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.0705","0.0485","","","0.1192","0.1336","","","","","","1.06","","","","has coordinates","229093","2020-10-21","18:00:00",""
"7230311","9.5229","0.0013","10.1012","0.0011","11.7207","0.0014","90","","101.215","0.008","90","","1105.9","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F3 N2 O3 S -","- C9 H6 F3 N2 O3 S -","- C36 H24 F12 N8 O12 S4 -","4","1","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1073","0.0738","","","0.1959","0.2203","","","","","","1.096","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230312","19.044","0.003","20.209","0.002","11.7215","0.0014","90","","101.207","0.008","90","","4425.1","1","190","2","190","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N4 O6 S2 -","- C18 H12 F6 N4 O6 S2 -","- C144 H96 F48 N32 O48 S16 -","8","2","","Mondal, Pradip Kumar; Rao, Varun; Chopra, Deepak","Capturing the metastable state in the spontaneous and reversible single-crystal-to-single-crystal phase transition of riluzolium oxalate","CrystEngComm","2018","20","15","2079","","10.1039/C8CE00283E","","","0.71073","MoKα","","0.1165","0.0802","","","0.2145","0.2591","","","","","","1.11","","","","has coordinates,has disorder","229093","2020-10-21","18:00:00",""
"7230313","9.1521","0.0012","9.681","0.0012","11.7658","0.0015","88.195","0.002","86.069","0.002","89.089","0.002","1039.4","0.2","130","","130","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl2 Ir N4 O2 -","- C18 H29 Cl2 Ir N4 O2 -","- C36 H58 Cl4 Ir2 N8 O4 -","2","1","","Lu, Sheng-Mei; Wang, Zhijun; Wang, Jijie; Li, Jun; Li, Can","Hydrogen generation from formic acid decomposition on a highly efficient iridium catalyst bearing a diaminoglyoxime ligand","Green Chemistry","2018","20","8","1835","","10.1039/C8GC00495A","","","0.71073","MoKα","","0.0506","0.0358","","","0.0818","0.0883","","","","","","1.006","","","","has coordinates","230091","2020-10-21","18:00:00",""
"7230314","9.652","0.005","11.432","0.005","13.068","0.005","108.905","0.005","98.795","0.005","109.501","0.005","1229.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-([2,2':5',2''-terthiophen]-5-yl)-1-oxo-3-phenyl-1H-indene-2-carboxylate","","- C30 H20 O3 S3 -","- C30 H20 O3 S3 -","- C60 H40 O6 S6 -","2","1","","Fabrizi de Biani, Fabrizia; Reale, Annalisa; Razzano, Vincenzo; Paolino, Marco; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Mróz, Wojciech; Piovani, Daniele; Botta, Chiara; Cappelli, Andrea","Electrochemical and optoelectronic properties of terthiophene- and bithiophene-based polybenzofulvene derivatives","RSC Advances","2018","8","20","10836","","10.1039/C7RA13242E","","","0.71073","MoKα","","0.0977","0.0573","","","0.1177","0.1425","","","","","","1.026","","","","has coordinates","207027","2020-10-21","18:00:00",""
"7230315","14.5415","0.0018","5.0163","0.0006","14.8807","0.0018","90","","100.551","0.002","90","","1067.1","0.2","173","2","173","2","","","","","","","non-photochromic","4","P 1 21/n 1","-P 2yn","14","5Me3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0543","0.0426","","","0.1112","0.1185","","","","","","1.049","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230316","6.1596","0.0004","7.4634","0.0004","12.7106","0.0006","77.175","0.003","81.457","0.003","78.821","0.003","555.53","0.05","293","2","293","2","","","","","","","non-photochromic","4","P -1","-P 1","2","5OMe-3SAP","4-methoxy-2-[(E)-3-pyridyliminomethyl]phenol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C26 H24 N4 O4 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0807","0.0618","","","0.1638","0.1998","","","","","","1.062","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230317","8.5222","0.0014","10.8771","0.0015","11.5925","0.0019","106.506","0.006","103.783","0.004","112.254","0.01","878.2","0.3","298","2","298","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br3SAP-3,4OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/3,4-dihydroxybenzoic acid","","- C19 H15 Br N2 O5 -","- C19 H15 Br N2 O5 -","- C38 H30 Br2 N4 O10 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1664","0.0644","","","0.1234","0.1606","","","","","","0.963","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230318","33.0322","0.0016","6.2046","0.0003","18.52","0.0008","90","","109.216","0.001","90","","3584.2","0.3","296","2","296","2","","","","","","","photochromic","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-4ClBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Br Cl N2 O3 -","- C19 H14 Br Cl N2 O3 -","- C152 H112 Br8 Cl8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0691","0.0452","","","0.1144","0.1468","","","","","","1.093","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230319","5.8531","0.0009","7.5224","0.0012","13.598","0.002","94.526","0.007","93.369","0.007","99.31","0.007","587.42","0.16","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Br-5M3SAP","(E)-4-bromo-2-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C13 H11 Br N2 O -","- C13 H11 Br N2 O -","- C26 H22 Br2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0496","0.0341","","","0.0766","0.0826","","","","","","1.011","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230320","5.8388","0.0013","7.4762","0.0017","13.369","0.003","93.793","0.007","93.656","0.007","99.044","0.007","573.4","0.2","293","2","293","2","","","","","","","non-photochromic","5","P -1","-P 1","2","5Cl-5Me3SAP","4-chloro-6-[(E)-3-pyridylimino-5-methyl]phenol","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C26 H22 Cl2 N4 O2 -","2","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0518","0.0418","","","0.1126","0.1196","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230321","32.6081","0.0014","6.1424","0.0003","17.8481","0.0008","90","","106.922","0.003","90","","3420","0.3","173","2","173","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Br3SAP-BA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/benzoic acid","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C152 H120 Br8 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0499","0.0416","","","0.1075","0.1145","","","","","","1.072","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230322","6.0801","0.0005","15.186","0.0013","16.4018","0.0014","90","","90","","90","","1514.4","0.2","293","2","293","2","","","","","","","non-photochromic","4","P 21 21 21","P 2ac 2ab","19","3Me-5MSAP","(E)-2-(tert-butyl)-6-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0573","0.0473","","","0.115","0.1221","","","","","","1.052","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230323","8.2123","0.0002","12.336","0.0002","13.0008","0.0002","65.655","0.001","78.648","0.001","83.568","0.001","1175.78","0.04","296","2","296","2","","","","","","","photochromic","5","P 1","P 1","1","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-dihydroxybenzoic acid","","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","- C50 H39 Br3 N6 O11 -","1","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.065","0.0464","","","0.1011","0.1303","","","","","","1.123","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230324","34.7332","0.0018","3.8928","0.0002","28.2337","0.0015","90","","99.982","0.002","90","","3759.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","5Br3SAP-35OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 3,5-chrolobenzoic acid","","- C19 H13 Br Cl2 N2 O3 -","- C19 H13 Br Cl2 N2 O3 -","- C152 H104 Br8 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.1411","0.0982","","","0.2357","0.2972","","","","","","1.194","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230325","14.6532","0.0003","4.5263","0.0001","18.6301","0.0004","90","","92.499","0.002","90","","1234.46","0.05","293","2","293","2","","","","","","","non-photochromic","5","P 1 21/n 1","-P 2yn","14","35Br-3SAP","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Br2 N2 O -","- C12 H8 Br2 N2 O -","- C48 H32 Br8 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0471","0.0384","","","0.0988","0.1027","","","","","","1.038","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230326","26.1636","0.0006","3.8091","0.0001","34.4455","0.0006","90","","137.464","0.001","90","","2320.78","0.1","293","2","293","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","35Cl-3SAP","2,4-dichloro6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H8 Cl2 N2 O -","- C12 H8 Cl2 N2 O -","- C96 H64 Cl16 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0603","0.0455","","","0.1208","0.1315","","","","","","1.099","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230327","32.818","0.008","6.238","0.0015","18.465","0.005","90","","109.44","0.004","90","","3564.6","1.6","296","2","296","2","","","","","","","photochromic","5","C 1 2/c 1","-C 2yc","15","5Cl3SAP-4ClBA","4-chloro-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid","","- C19 H14 Cl2 N2 O3 -","- C19 H14 Cl2 N2 O3 -","- C152 H112 Cl16 N16 O24 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.081","0.0456","","","0.1141","0.1481","","","","","","1.055","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230328","37.206","0.003","7.3594","0.0006","7.5694","0.0006","90","","91.589","0.002","90","","2071.8","0.3","296","2","296","2","","","","","","","photochromic","5","C 1 2 1","C 2y","5","35Br3SAP-35NO2BA","2,4-dibromo-6-[(E)-3-pyridyliminomethyl]phenol, 3,5-dinitrobenzoic acid","","- C19 H12 Br2 N4 O7 -","- C19 H12 Br2 N4 O7 -","- C76 H48 Br8 N16 O28 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0967","0.0473","","","0.1044","0.1427","","","","","","1.082","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230329","33.7985","0.0006","6.9174","0.0001","6.1746","0.0001","90","","92.79","0.001","90","","1441.9","0.04","173","2","173","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C60 H44 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.034","0.0316","","","0.0757","0.0786","","","","","","1.094","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230330","6.1462","0.0006","18.7572","0.0019","16.1025","0.0016","90","","95.859","0.002","90","","1846.7","0.3","297","2","297","2","","","","","","","photochromic","4","P 1 21 1","P 2yb","4","35tBu-3SAP","2,4-tert-butyl-6-[(E)-3-pyridyliminomethyl]phenol","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C80 H104 N8 O4 -","4","2","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.1515","0.0686","","","0.1397","0.1736","","","","","","1.03","","","","has coordinates,has disorder","229094","2020-10-21","18:00:00",""
"7230331","6.1651","0.0012","66.924","0.013","6.833","0.0013","90","","90","","90","","2819.2","0.9","93","2","93","2","","","","","","","non-photochromic","6","P n m a","-P 2ac 2n","62","5Br3SAP-13IBz","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,3-diiodobenzene","","- C15 H11 Br I N2 O -","- C15 H11 Br I N2 O -","- C120 H88 Br8 I8 N16 O8 -","8","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.6998","","","0.0339","0.0294","","","0.0768","0.0797","","","","","","1.06","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230332","3.8264","0.0001","20.7111","0.0007","21.2587","0.0008","90","","93.89","0.002","90","","1680.85","0.1","173","2","173","2","","","","","","","non-photochromic","5","P 1 21/c 1","-P 2ybc","14","5Br3SAP-2OHBA","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol/2hydroxybenzoic acid","","- C19 H15 Br N2 O4 -","- C19 H15 Br N2 O4 -","- C76 H60 Br4 N8 O16 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0337","0.0312","","","0.0809","0.0834","","","","","","1.101","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230333","41.659","0.005","24.658","0.003","4.842","0.0006","90","","90","","90","","4973.8","1","293","2","293","2","","","","","","","non-photochromic","4","F d d 2","F 2 -2d","43","3OEt-3SAP","3-ethoxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0767","0.0474","","","0.1018","0.1202","","","","","","1.006","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230334","13.1386","0.0003","7.1572","0.0002","11.8627","0.0002","90","","116.8","0.001","90","","995.69","0.04","293","2","293","2","","","","","","","non-photochromic","4","P 1 21/c 1","-P 2ybc","14","4OH-3SAP","3hydroxy-6-[(E)-3-pyridyliminomethyl]phenol","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","1.54186","CuKα","","0.0439","0.0402","","","0.1153","0.1201","","","","","","1.08","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230335","37.851","0.002","6.9901","0.0004","6.168","0.003","90","","90.041","0.002","90","","1631.9","0.8","93","2","93","2","","","","","","","non-photochromic","6","P 1 21/c 1","-P 2ybc","14","5Br3SAP-14IbiPh","4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 1,4-diiodobiphenyl","","- C18 H13 Br I N2 O -","- C18 H13 Br I N2 O -","- C72 H52 Br4 I4 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0417","0.0377","","","0.0813","0.0838","","","","","","1.05","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230336","6.8909","0.0004","11.4787","0.0006","13.1419","0.0007","76.205","0.004","89.221","0.004","85.231","0.004","1006.01","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl N O8 -","- C20 H26 Cl N O8 -","- C40 H52 Cl2 N2 O16 -","2","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1036","0.058","","","0.1443","0.1786","","","","","","1.006","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230337","27.449","0.007","7.0744","0.0017","21.677","0.006","90","","117.695","0.007","90","","3727.1","1.7","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl N O6 -","- C20 H22 Cl N O6 -","- C160 H176 Cl8 N8 O48 -","8","1","","Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak","Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals","CrystEngComm","2018","20","16","2253","","10.1039/C8CE00114F","","","0.71073","MoKα","","0.1602","0.0668","","","0.1078","0.1273","","","","","","1.023","","","","has coordinates","229022","2020-10-21","18:00:00",""
"7230338","13.7071","0.0005","14.3458","0.0008","20.3751","0.0008","90","","90","","90","","4006.5","0.3","100.6","0.4","100.6","0.4","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H46 Cu2 N10 O13 -","- C32 H46 Cu2 N10 O12.99 -","- C128 H184 Cu8 N40 O51.96 -","4","0.5","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0737","0.0606","","","0.1486","0.1603","","","","","","1.039","","","","has coordinates,has disorder","228997","2020-10-21","18:00:00",""
"7230339","12.75","0.005","19.729","0.005","20.627","0.005","90","0.005","90","0.005","90","0.005","5189","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 Cu3 N12 O15 -","- C46 H58 Cu3 N12 O15 -","- C184 H232 Cu12 N48 O60 -","4","1","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0647","0.0483","","","0.1147","0.1248","","","","","","1.008","","","","has coordinates","228997","2020-10-21","18:00:00",""
"7230340","23.705","0.002","5.4148","0.0006","5.4345","0.0006","90","","90","","90","","697.56","0.12","298","2","298","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","Bismuth Tungstate","","- Bi2 O9 W2 -","- Bi2 O9 W2 -","- Bi8 O36 W8 -","4","0.5","","Tian, Xiangxin; Gao, Zeliang; Chen, Feifei; Wu, Qian; Li, Conggang; Lu, Weiqun; Sun, Youxuan; Tao, Xutang","Insights into the polymorphism of Bi2W2O9: single crystal growth and a complete survey of the variable-temperature thermal and dielectric properties","CrystEngComm","2018","20","19","2669","","10.1039/C8CE00189H","","","0.71073","MoKα","","0.0313","0.0258","","","0.0674","0.071","","","","","","1.071","","","","has coordinates","229017","2020-10-21","18:00:00",""
"7230341","7.8674","0.0006","17.7109","0.0016","21.9456","0.0018","90","","98.763","0.002","90","","3022.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 I6 N2 O0 Pb2 -","- C16 H22 I6 N2 Pb2 -","- C64 H88 I24 N8 Pb8 -","4","1","","Wang, Yifang; Zhang, Jie; Huang, Jia; Zhang, Haoyu; Fu, Zhiyong","A lead-iodide based single crystal semiconductor: exploring multi-orientation photoconductive behaviour via intervening isopropyl viologen component between the inorganic [Pb2I6]2−n wires","CrystEngComm","2018","20","15","2089","","10.1039/C8CE00153G","","","0.71073","MoKα","","0.0583","0.0391","","","0.0898","0.103","","","","","","1.001","","","","has coordinates","229095","2020-10-21","18:00:00",""
"7230342","9.324","0.003","9.76","0.003","12.772","0.004","75.736","0.006","70.173","0.005","77.227","0.005","1047.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N5 O4 -","- C22 H25 N5 O4 -","- C44 H50 N10 O8 -","2","1","","Zhang, Furen; Li, Chunmei; Liang, Xuezheng","Solid acid-catalyzed domino cyclization reaction: regio- and diastereoselective synthesis of pyrido[2,3-d]pyrimidine derivatives bearing three contiguous stereocenters","Green Chemistry","2018","20","9","2057","","10.1039/C7GC03812G","","","0.71073","MoKα","","0.0664","0.05","","","0.1226","0.1333","","","","","","1.056","","","","has coordinates","230109","2020-10-21","18:00:00",""
"7230343","9.7948","0.0007","21.5595","0.0013","7.9044","0.0005","90","","104.573","0.007","90","","1615.48","0.19","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 Br O -","- C23 H13 Br O -","- C92 H52 Br4 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0446","0.0324","","","0.0696","0.0745","","","","","","1.049","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230344","9.8713","0.0005","21.9189","0.0011","8.0295","0.0004","90","","105.165","0.002","90","","1676.83","0.15","172","2","172","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 I O -","- C23 H13 I O -","- C92 H52 I4 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0503","0.0335","","","0.0725","0.0797","","","","","","1.021","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230345","7.905","0.0005","9.5802","0.0005","10.62","0.0006","94.977","0.002","101.008","0.002","93.532","0.002","783.98","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H13 Br O -","- C23 H13 Br O -","- C46 H26 Br2 O2 -","2","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0549","0.0382","","","0.0717","0.0774","","","","","","1.045","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230346","7.9511","0.0005","8.4125","0.0007","24.0545","0.0018","90","","90","","90","","1609","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 F5 O -","- C23 H9 F5 O -","- C92 H36 F20 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0878","0.0506","","","0.1033","0.1202","","","","","","1.065","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230347","5.2858","0.0007","8.206","0.0011","42.862","0.006","90","","90","","90","","1859.2","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H18 O -","- C29 H18 O -","- C116 H72 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0726","0.0584","","","0.1803","0.1953","","","","","","1.096","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230348","8.6959","0.001","8.9304","0.001","11.2041","0.0013","69.755","0.004","80.944","0.004","69.789","0.004","765.36","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0829","0.0429","","","0.1016","0.1196","","","","","","1.02","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230349","7.0822","0.0001","15.6783","0.0002","14.5087","0.0002","90","","96.968","0.001","90","","1599.1","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H9 F6 N -","- C19 H9 F6 N -","- C76 H36 F24 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0517","0.0458","","","0.118","0.1232","","","","","","1.049","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230350","15.1227","0.0003","15.8558","0.0003","14.7066","0.0003","90","","111.484","0.001","90","","3281.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C160 H88 F48 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0746","0.0413","","","0.0897","0.1043","","","","","","1.018","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230351","15.2613","0.0002","15.7199","0.0003","14.1251","0.0002","90","","92.822","0.001","90","","3384.59","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H8 F9 N -","- C20 H8 F9 N -","- C160 H64 F72 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0467","0.0367","","","0.0918","0.1019","","","","","","1.043","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230352","10.5779","0.0002","8.9018","0.0002","16.0143","0.0004","90","","98.611","0.001","90","","1490.95","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F3 N -","- C19 H12 F3 N -","- C76 H48 F12 N4 -","4","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0575","0.0461","","","0.1234","0.1332","","","","","","1.038","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230353","15.848","0.0015","15.2591","0.0014","24.008","0.002","90","","107.003","0.002","90","","5552","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 F6 N -","- C16 H9 F6 N -","- C256 H144 F96 N16 -","16","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0562","0.0393","","","0.1011","0.1127","","","","","","1.022","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230354","9.6056","0.0004","9.6645","0.0003","18.9511","0.0009","102.483","0.001","100.815","0.002","90.058","0.003","1685.61","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H11 F6 N -","- C20 H11 F6 N -","- C80 H44 F24 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.061","0.0498","","","0.1321","0.1418","","","","","","1.039","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230355","7.5758","0.0003","11.2809","0.0005","16.6769","0.0009","103.657","0.003","101.408","0.003","105.29","0.002","1283.47","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0566","0.0402","","","0.1053","0.1159","","","","","","1.024","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230356","10.2655","0.0004","17.261","0.0006","13.9511","0.0005","90","","90.431","0.002","90","","2471.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C120 H80 F24 N8 -","8","2","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0984","0.0623","","","0.1643","0.1901","","","","","","1.044","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230357","9.0038","0.0002","9.5959","0.0004","10.8293","0.0001","71.665","0.001","75.536","0.003","63.7","0.002","789.48","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F3 N -","- C20 H14 F3 N -","- C40 H28 F6 N2 -","2","1","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0453","0.0354","","","0.0922","0.0993","","","","","","1.04","","","","has coordinates","229019","2020-10-21","18:00:00",""
"7230358","10.7741","0.0005","16.4781","0.0007","22.9605","0.001","109.808","0.002","90.168","0.002","90.052","0.002","3835.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 F3 N -","- C23 H20 F3 N -","- C184 H160 F24 N8 -","8","4","","Alapour, S.; Zamisa, S. J.; Silva, J. R. A.; Alves, C. N.; Omondi, B.; Ramjugernath, D.; Koorbanally, N. A.","Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission","CrystEngComm","2018","20","16","2316","","10.1039/C8CE00094H","","","0.71073","MoKα","","0.0753","0.0558","","","0.1317","0.1443","","","","","","1.035","","","","has coordinates,has disorder","229019","2020-10-21","18:00:00",""
"7230359","18.5534","0.0002","22.8539","0.0003","20.0964","0.0003","90","","107.354","0.0015","90","","8133.3","0.2","291.11","0.1","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C60 H20 Cd N4 O24 -","- C60 H20 Cd N4 O24 -","- C240 H80 Cd4 N16 O96 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0599","0.055","","","0.15","0.1555","","","","","","1.046","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230360","10.2186","0.0002","36.8564","0.0009","15.2343","0.0004","90","","90","","90","","5737.6","0.2","99.98","0.02","99.98","0.02","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- C34 H13 N4 O14 Zn2 -","- C34 H13 N4 O14 Zn2 -","- C136 H52 N16 O56 Zn8 -","4","0.5","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.0825","0.0702","","","0.2199","0.2314","","","","","","1.156","","","","has coordinates,has disorder","229001","2020-10-21","18:00:00",""
"7230361","23.4194","0.0004","13.9077","0.0002","33.604","0.0006","90","","90.9341","0.0016","90","","10943.7","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H40 Ba4 N9 O31 -","- C71 H40 Ba4 N9 O31 -","- C284 H160 Ba16 N36 O124 -","4","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","","1.54184","CuKα","","0.1355","0.0981","","","0.2966","0.3198","","","","","","1.171","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230362","9.8893","0.0009","16.7182","0.0004","17.3044","0.0004","63.933","0.002","78.652","0.007","86.531","0.005","2518.6","0.3","291.87","0.1","291.87","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 Ca2 Cl N6 O16 -","- C46 H47 Ca2 Cl N6 O16 -","- C92 H94 Ca4 Cl2 N12 O32 -","2","1","","Xu, Hui-Ling; Zeng, Xiao-Shan; Li, Jie; Xu, Yu-Ci; Qiu, Hai-Jiang; Xiao, Dong-Rong","The impact of metal ions on photoinduced electron-transfer properties: four photochromic metal‒organic frameworks based on a naphthalenediimide chromophore","CrystEngComm","2018","20","17","2430","","10.1039/C8CE00213D","","x-ray","1.54184","CuKα","","0.0693","0.0617","","","0.1762","0.1837","","","","","","1.091","","","","has coordinates","229001","2020-10-21","18:00:00",""
"7230363","12.749","0.003","26.186","0.005","8.2336","0.0016","90","","106.89","0.03","90","","2630.2","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 I6 N2 O2 Pb -","- C18 H14 I6 N2 O2 Pb -","- C72 H56 I24 N8 O8 Pb4 -","4","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0482","0.0359","","","0.0716","0.076","","","","","","1.063","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230364","8.3858","0.0017","15.738","0.003","18.332","0.004","112.14","0.03","98.33","0.03","96.94","0.03","2176.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I7 N4 O5 Pb -","- C36 H30 I7 N4 O5 Pb -","- C72 H60 I14 N8 O10 Pb2 -","2","1","","Zhao, Li-Ming; Zhang, Wen-Ting; Song, Kai-Yue; Wu, Qi-Qi; Li, Yi; Li, Hao-Hong; Chen, Zhi-Rong","Lead-carboxylate/polyiodide hybrids constructed from halogen bonding and asymmetric viologen: structures, visible-light-driven photocatalytic properties and enhanced photocurrent responses","CrystEngComm","2018","20","16","2245","","10.1039/C8CE00120K","","","0.71073","MoKα","","0.0931","0.0589","","","0.1463","0.1715","","","","","","0.869","","","","has coordinates","229021","2020-10-21","18:00:00",""
"7230365","14.4059","0.0004","3.87086","0.0001","21.199","0.0005","90","","104.308","0.003","90","","1145.46","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0243","0.0217","","","0.0567","0.0586","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230366","10.3502","0.0004","4.57161","0.00014","22.7222","0.0012","90","","100.633","0.004","90","","1056.69","0.08","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0482","0.0336","","","0.0821","0.0886","","","","","","1.041","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230367","3.76509","0.0001","47.3024","0.0012","5.91017","0.00016","90","","91.941","0.003","90","","1051.98","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0574","0.055","","","0.1415","0.143","","","","","","1.228","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230368","3.7823","0.00011","22.3928","0.0006","12.7185","0.0004","90","","91.041","0.003","90","","1077.03","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(4-fluorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 F N2 -","- C14 H9 F N2 -","- C56 H36 F4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0374","0.0334","","","0.0865","0.0902","","","","","","1.072","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230369","11.6356","0.0005","3.82523","0.00014","25.2133","0.001","90","","91.488","0.004","90","","1121.84","0.08","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-chlorophenyl)-2-(pyridin-2-yl)acrylonitrile","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0468","0.0372","","","0.0996","0.1056","","","","","","1.03","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230370","4.77341","0.00015","15.3325","0.0005","15.7201","0.0004","90","","90","","90","","1150.53","0.06","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-bromophenyl)-2-(pyridin-3-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.041","0.0365","","","0.0851","0.0863","","","","","","1.016","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230371","3.8248","0.00007","5.9631","0.0001","48.2653","0.0008","90","","90","","90","","1100.82","0.03","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0547","0.0545","","","0.1262","0.1262","","","","","","1.178","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230372","7.4111","0.0002","15.5974","0.0005","10.2178","0.0003","90","","103.82","0.003","90","","1146.92","0.06","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(4-bromophenyl)-2-(pyridin-4-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0334","0.0257","","","0.061","0.0665","","","","","","1.034","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230373","4.67306","0.00008","15.4504","0.0003","15.4973","0.0003","90","","90","","90","","1118.92","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0683","0.0695","","","","","","1.071","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230374","6.4852","0.0002","14.3549","0.0004","15.7193","0.0011","90","","90","","90","","1463.38","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl Cu N2 O7 -","- C14 H11 Cl Cu N2 O7 -","- C56 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","1.54184","CuKα","","0.0556","0.0532","","","0.1471","0.1493","","","","","","1.128","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230375","10.3927","0.0017","7.2489","0.0012","11.146","0.0018","90","","116.46","0.002","90","","751.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Cu N3 O6 -","- C14 H15 Cu N3 O6 -","- C28 H30 Cu2 N6 O12 -","2","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0345","0.0291","","","0.0633","0.0649","","","","","","1.006","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230376","7.0214","0.0012","18.01","0.003","19.735","0.003","90","","90","","90","","2495.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H13 Cu N3 O4 -","- C12 H13 Cu N3 O4 -","- C96 H104 Cu8 N24 O32 -","8","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0605","0.0445","","","0.0892","0.0943","","","","","","1.157","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230377","6.5406","0.0013","14.063","0.003","15.063","0.003","90","","90","","90","","1385.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl Cu N2 O7 -","- C12 H11 Cl Cu N2 O7 -","- C48 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.024","0.0213","","","0.0547","0.0561","","","","","","1.083","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230378","10.2071","0.0006","9.4026","0.0005","16.5141","0.0009","90","","91.226","0.002","90","","1584.55","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Cl Cu N3 O8 -","- C12 H14 Cl Cu N3 O8 -","- C48 H56 Cl4 Cu4 N12 O32 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","","","0.0272","0.0236","","","0.06","0.0616","","","","","","1.075","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230379","13.128","0.0009","8.7729","0.0006","25.0767","0.0016","90","","90.356","0.002","90","","2888","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Cu2 N6 O14 -","- C22 H26 Cl2 Cu2 N6 O14 -","- C88 H104 Cl8 Cu8 N24 O56 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.0581","0.0379","","","0.0757","0.0819","","","","","","1.038","","","","has coordinates,has disorder","228999","2020-10-21","18:00:00",""
"7230380","43.317","0.009","23.984","0.004","28.932","0.007","90","","117.762","0.004","90","","26598","10","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C116 H88 Cl6 N8 -","- C116 H88 Cl6 N8 -","- C928 H704 Cl48 N64 -","8","1","","Ishizuka, Tomoya; Ohkawa, Shumpei; Ochiai, Hidemi; Hashimoto, Muneaki; Ohkubo, Kei; Kotani, Hiroaki; Sadakane, Masahiro; Fukuzumi, Shunichi; Kojima, Takahiko","A supramolecular photocatalyst composed of a polyoxometalate and a photosensitizing water-soluble porphyrin diacid for the oxidation of organic substrates in water","Green Chemistry","2018","20","9","1975","","10.1039/C8GC00295A","","","0.71073","MoKα","","0.1566","0.111","","","0.3221","0.3485","","","","","","1.077","","","","has coordinates,has disorder","230112","2020-10-21","18:00:00",""
"7230381","23.97","0.0008","10.6828","0.0004","19.264","0.0007","90","","111.342","0.001","90","","4594.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl Fe2 N4 Ni0.5 -","- C26 H24 Cl Fe2 N4 Ni0.5 -","- C208 H192 Cl8 Fe16 N32 Ni4 -","8","1","","Peck, M. A.; Hearne, G. R.; Obuah, C.; Darkwa, J.","Electron-density distributions in selected ferrocenyl-pyrazolyl late transition-metal complexes.","Physical chemistry chemical physics : PCCP","2018","20","17","11682","11691","10.1039/c8cp01135d","","","0.71073","MoKα","","0.0561","0.0351","","","0.0753","0.083","","","","","","1.014","","","","has coordinates","230917","2020-10-21","18:00:00",""
"7230382","10.5437","0.0012","8.0245","0.0009","10.8487","0.0012","90","","93.598","0.002","90","","916.08","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O7 -","- C8 H10 O7 -","- C32 H40 O28 -","4","1","","Tryznowski, M.; Świderska, A.","Novel high reactive bifunctional five- and six-membered bicyclic dicarbonate ‒ synthesis and characterisation","RSC Advances","2018","8","21","11749","","10.1039/C8RA00669E","","","1.54178","CuKα","","0.034","0.0332","","","0.0844","0.0851","","","","","","1.193","","","","has coordinates,has disorder","207149","2020-10-21","18:00:00",""
"7230383","9.2602","0.0005","9.472","0.0004","11.9414","0.0004","107.154","0.004","96.395","0.003","95.55","0.004","985.29","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F3 N O6 P -","- C16 H21 F3 N O6 P -","- C32 H42 F6 N2 O12 P2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0838","0.0738","","","0.2121","0.2201","","","","","","1.135","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230384","18.3893","0.0004","18.3893","0.0004","15.9702","0.0008","90","","90","","90","","5400.6","0.3","295","2","295","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27 H34 N O4 P -","- C27 H34 N O4 P -","- C216 H272 N8 O32 P8 -","8","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.0613","0.044","","","0.1028","0.1136","","","","","","1.034","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230385","11.296","0.0006","12.0965","0.0006","12.4628","0.0006","112.998","0.005","110.653","0.004","98.152","0.004","1387.42","0.16","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H37 N2 O8 P S -","- C22 H37 N2 O8 P S -","- C44 H74 N4 O16 P2 S2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0675","0.0593","","","0.1717","0.1809","","","","","","1.075","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230386","9.1196","0.0007","11.0522","0.0009","13.648","0.0013","71.568","0.008","77.69","0.007","87.393","0.006","1274.7","0.2","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H33 N2 O7 P S -","- C24 H33 N2 O7 P S -","- C48 H66 N4 O14 P2 S2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.1169","0.0851","","","0.1902","0.205","","","","","","1.023","","","","has coordinates,has disorder","207150","2020-10-21","18:00:00",""
"7230387","9.4187","0.0003","11.5503","0.0005","25.4175","0.001","90.406","0.003","99.189","0.003","113.524","0.004","2495.13","0.19","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C22 H28 F3 N2 O5 P S -","- C22 H28 F3 N2 O5 P S -","- C88 H112 F12 N8 O20 P4 S4 -","4","2","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","","0.7107","MoKα","","0.0529","0.0408","","","0.0987","0.1063","","","","","","1.041","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230388","10.1589","0.0016","10.3309","0.0011","10.8732","0.0011","108.225","0.01","112.48","0.012","90.483","0.01","990.8","0.2","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H21 F3 N O6 P -","- C16 H21 F3 N O6 P -","- C32 H42 F6 N2 O12 P2 -","2","1","","Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk","Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates","RSC Advances","2018","8","22","11957","","10.1039/C8RA01656A","","x-ray","0.71073","MoKα","","0.2218","0.1181","","","0.306","0.3662","","","","","","1.028","","","","has coordinates","207150","2020-10-21","18:00:00",""
"7230389","12.854","0.0007","9.8269","0.0006","14.2696","0.0011","90","","94.215","0.005","90","","1797.6","0.2","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Benzoxazole Derivatives","ethyl (E)-3-(2-(5-bromo-2-hydroxyphenyl)-5-methylbenzo[d]oxazol-3(2H)-yl)acrylate","","- C36 H28 Br0.5 N3 O12 -","- C38 H36 Br2 N2 O8 -","- C76 H72 Br4 N4 O16 -","2","0.5","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.1008","0.0483","","","0.1102","0.1371","","","","","","1.017","","","","has coordinates","207174","2020-10-21","18:00:00",""
"7230390","7.534","0.0005","13.2552","0.001","15.2014","0.0012","90","","90","","90","","1518.08","0.19","298","2","298","2","","","","","","","No","4","P 21 21 21","P 2ac 2ab","19","1,3-benzoxazine","methyl (E)-3-(2-(2-hydroxyphenyl)-2H-benzo[d][1,3]oxazin-1(4H)-yl)acrylate","","- C19 H18 N O3 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.0758","0.0458","","","0.0843","0.0976","","","","","","1.011","","","","has coordinates","207174","2020-10-21","18:00:00",""
"7230391","16.901","0.003","9.2057","0.0013","47.963","0.008","90","","91.149","0.006","90","","7461","2","173","","173","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C40 H35 Cl4 N4 O3 -","- C40 H35 Cl4 N4 O3 -","- C320 H280 Cl32 N32 O24 -","8","1","","Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.","Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.","Physical chemistry chemical physics : PCCP","2018","20","16","11196","11205","10.1039/c8cp01611a","","","0.71075","MoKα","","0.1332","0.1008","","","0.281","0.3125","","","","","","1.137","","","","has coordinates,has disorder","230926","2020-10-21","18:00:00",""
"7230392","9.0407","0.0016","9.359","0.002","10.191","0.0019","105.821","0.003","94.648","0.003","105.915","0.004","786.4","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I N O3 -","- C15 H17 I N O3 -","- C30 H34 I2 N2 O6 -","2","1","","Giannoulis, A.; Ackermann, K.; Spindler, P. E.; Higgins, C.; Cordes, D. B.; Slawin, A. M. Z.; Prisner, T. F.; Bode, B. E.","Nitroxide-nitroxide and nitroxide-metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilities.","Physical chemistry chemical physics : PCCP","2018","20","16","11196","11205","10.1039/c8cp01611a","","","0.71075","MoKα","","0.0268","0.0234","","","0.0551","0.0563","","","","","","1.033","","","","has coordinates","230926","2020-10-21","18:00:00",""
"7230393","8.7593","0.0018","13.386","0.004","19.541","0.004","90","","90","","90","","2291.2","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","zhu00010","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.0458","0.0395","","","0.1048","0.1106","","","","","","1.049","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230394","12.758","0.005","14.223","0.005","12.808","0.005","90","","93.522","0.004","90","","2319.7","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3O","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.1019","0.0879","","","0.27","0.2873","","","","","","1.064","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230395","20.3393","0.0003","20.3393","0.0003","23.9935","0.0004","90","","90","","120","","8596","0.2","293","2","293","2","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O40 P S3 -","- C27 H39 Mo12 O40 P S3 -","- C162 H234 Mo72 O240 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0741","0.0682","","","0.1423","0.1462","","","","","","1.11","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230396","20.1657","0.0006","20.1657","0.0006","24.1757","0.0008","90","","90","","120","","8514.1","0.5","150","0.1","150","0.1","","","","","","","","6","R -3","-R 3","148","","","","- C27 H39 Mo12 O43 P S3 -","- C27 H39 Mo12 O43 P S3 -","- C162 H234 Mo72 O258 P6 S18 -","6","","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","0.71073","MoKα","","0.0894","0.086","","","0.178","0.1797","","","","","","1.159","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230397","12.4149","0.0007","12.6395","0.0006","23.2868","0.0009","95.806","0.004","95.886","0.004","115.353","0.005","3241.7","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H57 Mo12 O43 P S3 -","- C36 H57 Mo12 O43 P S3 -","- C72 H114 Mo24 O86 P2 S6 -","2","1","","Kumar, Ashwani; Pradeep, Chullikkattil P.","Aromatic sulfonium polyoxomolybdates: tuning the photochromic properties through substitutions on the counter ion moiety","CrystEngComm","2018","","","","","10.1039/C8CE00345A","","x-ray","1.54184","CuKα","","0.05","0.042","","","0.1072","0.1141","","","","","","1.05","","","","has coordinates","207201","2020-10-21","18:00:00",""
"7230398","8.674","0.0004","9.2402","0.0004","9.7072","0.0004","94.987","0.002","109.996","0.002","90.045","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.043","0.0353","","","0.0925","0.0986","","","","","","1.042","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230399","8.6748","0.0004","9.2418","0.0004","9.7123","0.0005","95.073","0.002","110.088","0.002","90.128","0.002","727.97","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0361","0.0303","","","0.0799","0.0843","","","","","","1.03","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230400","9.866","0.0003","11.0557","0.0003","16.886","0.0005","80.416","0.002","88.478","0.003","86.132","0.002","1811.79","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0633","0.0395","","","0.0856","0.0961","","","","","","1.037","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230401","9.8533","0.0005","11.0612","0.0006","16.9145","0.0009","80.528","0.002","88.607","0.003","86.101","0.002","1814","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","x-ray","0.71073","MoKα","","0.0598","0.0413","","","0.1012","0.1107","","","","","","1.013","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230402","9.8602","0.0005","11.0507","0.0006","16.8724","0.0009","80.39","0.002","88.453","0.004","86.193","0.002","1808.42","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","- C60 H74 N10 O36 S8 -","1","0.5","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0786","0.0475","","","0.1166","0.1316","","","","","","1.031","","","","has coordinates,has disorder","229000","2020-10-21","18:00:00",""
"7230403","8.667","0.0002","9.2424","0.0003","9.701","0.0003","95.062","0.002","110.09","0.002","90.142","0.002","726.51","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O8 S2 -","- C12 H14 N2 O8 S2 -","- C24 H28 N4 O16 S4 -","2","1","","Singh, Ashutosh S.; Ali, Amjad; Tiwari, Ranjay K.; Behera, Jogendra N.; Sun, Shih-Sheng; Chandrasekhar, Vadapalli","Thermally induced 1D to 2D polymer conversion accompanied by major packing changes in single-crystal-to-single-crystal transformation","CrystEngComm","2018","20","17","2346","","10.1039/C8CE00089A","","","0.71073","MoKα","","0.0284","0.0252","","","0.0668","0.0698","","","","","","1.021","","","","has coordinates","229000","2020-10-21","18:00:00",""
"7230404","13.4681","0.0015","11.9193","0.0013","24.483","0.003","90","","95.984","0.004","90","","3908.8","0.8","120","2","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 N6 O28 Tb4 -","- C76 H86 N6 O28 Tb4 -","- C152 H172 N12 O56 Tb8 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0405","0.0267","","","0.0513","0.0575","","","","","","1.116","","","","has coordinates,has disorder","207220","2020-10-21","18:00:00",""
"7230405","13.49","0.0007","11.9674","0.0006","24.506","0.0013","90","","95.961","0.002","90","","3934.9","0.4","120","2","120.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Gd4 N6 O28 -","- C76 H86 Gd4 N6 O28 -","- C152 H172 Gd8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0737","0.0428","","","0.0616","0.0683","","","","","","1.093","","","","has coordinates,has disorder","207220","2020-10-21","18:00:00",""
"7230406","13.457","0.003","11.905","0.002","24.5","0.006","90","","96.03","","90","","3903.3","1.4","120","2","120.02","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Dy4 N6 O28 -","- C76 H86 Dy4 N6 O28 -","- C152 H172 Dy8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0531","0.0549","","","","","","1.182","","","","has coordinates,has disorder","207220","2020-10-21","18:00:00",""
"7230407","13.4321","0.0016","11.848","0.0014","24.45","0.003","90","","96.123","0.004","90","","3868.9","0.8","120","2","119.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Ho4 N6 O28 -","- C76 H86 Ho4 N6 O28 -","- C152 H172 Ho8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.05","0.0313","","","0.0603","0.0685","","","","","","1.058","","","","has coordinates,has disorder","207220","2020-10-21","18:00:00",""
"7230408","13.4131","0.0007","11.8637","0.0007","24.458","0.0014","90","","96.222","0.002","90","","3869.1","0.4","120","2","119.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Er4 N6 O28 -","- C76 H86 Er4 N6 O28 -","- C152 H172 Er8 N12 O56 -","2","0.5","","Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei","A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline","RSC Advances","2018","8","23","12641","","10.1039/C8RA01485J","","","0.71073","MoKα","","0.0413","0.0329","","","0.0546","0.0563","","","","","","1.206","","","","has coordinates,has disorder","207220","2020-10-21","18:00:00",""
"7230409","9.7875","0.0012","10.5334","0.0012","15.8394","0.0018","73.134","0.006","82.652","0.006","75.019","0.006","1507.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Jana, Sourav; Samanta, Sadhanendu; Bagdi, Avik K.; Shirinian, Valerii Z.; Hajra, Alakananda","Metal-free C‒H arylation of imidazoheterocycles with aryl hydrazines","RSC Advances","2018","8","22","12360","","10.1039/C8RA01474D","","","0.71073","MoKα","","0.1049","0.0713","","","0.1779","0.2194","","","","","","1.016","","","","has coordinates","207221","2020-10-21","18:00:00",""
"7230410","8.7539","0.0014","10.693","0.0017","11.5682","0.0018","90","","102.694","0.002","90","","1056.4","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Cl2 N O2 -","- C25 H21 Cl2 N O2 -","- C50 H42 Cl4 N2 O4 -","2","1","","Liu, Fu-Jun; Sun, Tian-Tian; Yang, Yun-Gang; Huang, Chao; Chen, Xue-Bing","Divergent synthesis of dual 1,4-dihydropyridines with different substituted patterns from enaminones and aldehydes through domino reactions","RSC Advances","2018","8","23","12635","","10.1039/C8RA01236A","","","0.71073","MoKα","","0.0518","0.0387","","","0.1013","0.1103","","","","","","0.953","","","","has coordinates","207222","2020-10-21","18:00:00",""
"7230411","9.1294","0.0012","9.2735","0.0013","16.422","0.002","93.116","0.004","97.317","0.004","115.044","0.004","1240.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H42 Cl4 F2 N2 S -","- C60 H42 Cl4 F2 N2 S -","- C60 H42 Cl4 F2 N2 S -","1","0.5","","Yu, Chin-Yang; Hsu, Chia-Chieh; Weng, Hsi-Chen","Synthesis, characterization, aggregation-induced emission, solvatochromism and mechanochromism of fluorinated benzothiadiazole bonded to tetraphenylethenes","RSC Advances","2018","8","23","12619","","10.1039/C8RA01448E","","","0.71073","MoKα","","0.0489","0.0447","","","0.1107","0.1147","","","","","","1.033","","","","has coordinates,has disorder","207223","2020-10-21","18:00:00",""
"7230412","14.96","0.002","17.1","0.003","17.112","0.003","90","","110.277","0.009","90","","4106.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 B Fe N4 O2 -","- C52 H48 B Fe N4 O2 -","- C208 H192 B4 Fe4 N16 O8 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0767","0.043","","","0.0892","0.0965","","","","","","1.025","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230413","8.6116","0.0003","15.4474","0.0004","20.476","0.0006","90","","96.769","0.002","90","","2704.87","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl Fe N4 O4 -","- C30 H36 Cl Fe N4 O4 -","- C120 H144 Cl4 Fe4 N16 O16 -","4","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0566","0.0422","","","0.1172","0.1245","","","","","","1.066","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230414","16.4142","0.0003","15.1139","0.0004","20.9988","0.0006","90","","90","","90","","5209.4","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H28 B F4 Fe N4 O2 -","- C28 H28 B F4 Fe N4 O2 -","- C224 H224 B8 F32 Fe8 N32 O16 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71073","MoKα","","0.0556","0.0331","","","0.0762","0.0834","","","","","","1.043","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230415","16.7007","0.0007","15.1105","0.0008","20.7773","0.0011","90","0.005","90","0.005","90","0.005","5243.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Cl Fe N4 O6 -","- C28 H28 Cl Fe N4 O6 -","- C224 H224 Cl8 Fe8 N32 O48 -","8","1","","Vieira, Bruno J. C.; da Gama, Vasco; Santos, Isabel C.; Pereira, Laura C. J.; Bandeira, Nuno A. G.; Waerenborgh, João C.","Magnetic and structural correlations in [Fe(nsal2trien)] salts: the role of cation‒anion interactions in the spin crossover phenomenon","CrystEngComm","2018","20","17","2465","","10.1039/C8CE00275D","","","0.71069","MoKα","","0.1147","0.0527","","","0.1055","0.1219","","","","","","0.93","","","","has coordinates","228998","2020-10-21","18:00:00",""
"7230416","9.0754","0.0018","10.218","0.002","20.432","0.004","76.34","0.03","80.19","0.03","68.14","0.03","1701.6","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","- C58 H50 F24 Mn2 N6 O14 -","1","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1569","0.087","","","0.1766","0.2053","","","","","","1.015","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230417","19.703","0.004","16.999","0.003","27.263","0.005","90","","92.9","0.03","90","","9120","3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C73 H51 Cu2 F42 N6 O20 Y -","- C73 H51 Cu2 F42 N6 O20 Y -","- C292 H204 Cu8 F168 N24 O80 Y4 -","4","0.5","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.1089","0.0898","","","0.2156","0.2304","","","","","","1.056","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230418","10.94","0.002","12.365","0.003","18.073","0.004","86.35","0.03","78.63","0.03","83.48","0.03","2379.2","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H26 Cu2 F24 N3 O11 -","- C39 H26 Cu2 F24 N3 O11 -","- C78 H52 Cu4 F48 N6 O22 -","2","1","","Zhu, Mei; Lou, Dingshuo; Deng, Xiaochun; Zhang, Li; Zhang, Wei; Lü, Yaohong","A functional nitroxide ligand builds up two 2p‒3d complexes with different spin ground states and a 2p‒3d‒4f chain of rings","CrystEngComm","2018","20","18","2583","","10.1039/C8CE00178B","","","0.71073","MoKα","","0.0666","0.0553","","","0.1542","0.164","","","","","","1.036","","","","has coordinates","229099","2020-10-21","18:00:00",""
"7230419","12.0704","0.0003","8.5358","0.0001","17.9826","0.0003","90","","106.041","0.001","90","","1780.62","0.06","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Br2 N2 -","- C34 H58 Br2 N2 -","- C68 H116 Br4 N4 -","2","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0753","0.0667","","","0.2042","0.2152","","","","","","1.09","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230420","27.3945","0.0004","15.206","0.0002","11.1953","0.0002","90","","90","","90","","4663.52","0.12","130","2","130","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H68 Br2 Cl6 N2 -","- C40 H68 Br2 Cl6 N2 -","- C160 H272 Br8 Cl24 N8 -","4","0.5","","Kai, Aiting; Sheng, Yujie; Yao, Junyao; Chen, Qibin; Liu, Honglai","Structural variation determined by length-matching effects: towards the formation of flexible porous molecular crystals","CrystEngComm","2018","20","19","2648","","10.1039/C7CE02245J","","","1.54178","CuKα","","0.0436","0.0391","","","0.0937","0.0967","","","","","","1.047","","","","has coordinates","229018","2020-10-21","18:00:00",""
"7230421","57.9542","0.0014","8.3909","0.0002","10.5626","0.0003","90","","90","","90","","5136.5","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H41 N O4 S -","- C25 H41 N O4 S -","- C200 H328 N8 O32 S8 -","8","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0305","0.0291","","","0.0839","0.0856","","","","","","1.056","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230422","8.4477","0.0003","10.137","0.0003","29.0003","0.0008","97.1637","0.001","91.7536","0.0012","94.3756","0.0011","2454.83","0.13","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 F6 N O P -","- C23 H34 F6 N O P -","- C92 H136 F24 N4 O4 P4 -","4","2","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0733","0.0508","","","0.1347","0.1529","","","","","","1.05","","","","has coordinates","229100","2020-10-21","18:00:00",""
"7230423","10.5341","0.0002","20.31","0.0005","38.1037","0.0009","80.3923","0.001","83.5583","0.001","76.8971","0.001","7805.1","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 F6 N2 O5 S2 -","- C27 H38 F6 N2 O5 S2 -","- C270 H380 F60 N20 O50 S20 -","10","5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Effect of counter ions on the mesogenic ionic N-phenylpyridiniums","CrystEngComm","2018","20","18","2593","","10.1039/C8CE00286J","","","1.54178","CuKα","","0.0948","0.0767","","","0.2098","0.2363","","","","","","1.062","","","","has coordinates,has disorder","229100","2020-10-21","18:00:00",""
"7230424","8.3825","0.0004","14.3515","0.0008","13.3425","0.0007","90","","96.835","0.005","90","","1593.71","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl N O -","- C19 H20 Cl N O -","- C76 H80 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0564","0.0424","","","0.0972","0.1038","","","","","","1.047","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230425","14.912","0.0004","6.9922","0.0002","37.2099","0.0013","90","","90","","90","","3879.8","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0657","0.0475","","","0.108","0.1163","","","","","","1.029","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230426","8.308","0.0004","13.9039","0.0008","13.658","0.0006","90","","96.642","0.004","90","","1567.1","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.7149","synchrotron","","0.0721","0.0531","","","0.13","0.1393","","","","","","1.042","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230427","10.4953","0.0009","19.9612","0.0019","8.1903","0.0007","90","","90","","90","","1715.9","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.1027","0.0564","","","0.0973","0.1144","","","","","","1.036","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230428","11.5183","0.0003","24.435","0.0007","7.1002","0.0002","90","","98.786","0.003","90","","1974.9","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl N O4 -","- C20 H26 Cl N O4 -","- C80 H104 Cl4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0578","0.048","","","0.1197","0.1257","","","","","","1.034","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230429","10.9418","0.0007","22.2438","0.0013","8.074","0.0006","90","","99.632","0.007","90","","1937.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0898","0.0539","","","0.096","0.1074","","","","","","1.06","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230430","17.696","0.0006","15.103","0.0004","6.9665","0.0003","90","","92.41","0.004","90","","1860.24","0.11","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O -","- C23 H22 Cl N O -","- C92 H88 Cl4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0588","0.0409","","","0.0997","0.1049","","","","","","1.011","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230431","11.768","0.003","25.295","0.005","7.006","0.002","90","","104.7","0.03","90","","2017.2","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","2-[(E)-2-(2-hydroxy-5-nitrophenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium hydrogen sulfate","","- C19 H20 N2 O7 S -","- C19 H19.999 N2 O6.996 S0.999 -","- C76 H79.996 N8 O27.984 S3.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.1193","0.0611","","","0.1371","0.15","","","","","","1.027","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230432","18.8741","0.0012","6.2632","0.0003","14.2571","0.0007","90","","98.548","0.006","90","","1666.64","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0782","0.0713","","","0.1728","0.1773","","","","","","1.063","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230433","12.0289","0.0005","12.4435","0.0005","17.4047","0.0007","76.128","0.004","81.814","0.004","79.953","0.004","2476.58","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","tetrakis(2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium) tris(phosphoric acid) nonahydrate tetradihydrogen phosphate","","- C40 H60.5 N2 O22.5 P3.5 -","- C40 H56.5 N2 O22.501 P3.5 -","- C80 H113 N4 O45.002 P7 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0726","0.0536","","","0.1423","0.1599","","","","","","1.012","","","","has coordinates,has disorder","228892","2020-10-21","18:00:00",""
"7230434","11.5976","0.0003","23.9015","0.0006","7.36093","0.00015","90","","98.766","0.002","90","","2016.62","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","2-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-1,3,3-trimethyl-3H-indol-1-ium dihydrate bromide","","- C20 H26 Br N O4 -","- C20 H26 Br N O4 -","- C80 H104 Br4 N4 O16 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","1.54184","CuKα","","0.0395","0.0345","","","0.0873","0.092","","","","","","1.048","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230435","12.8779","0.0005","10.4911","0.0005","12.8498","0.0007","90","","94.836","0.004","90","","1729.87","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br N O1.5 -","- C19 H20.998 Br N O1.499 -","- C76 H83.992 Br4 N4 O5.996 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0626","0.0459","","","0.1022","0.1086","","","","","","1.049","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230436","7.227","0.003","10.0542","0.001","12.687","0.003","80.825","0.014","89","0.02","88.089","0.018","909.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C38 H38 N6 O12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.125","0.0646","","","0.1281","0.137","","","","","","1.046","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230437","7.8327","0.0005","16.019","0.0013","15.1017","0.0019","90","","90","","90","","1894.8","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0315","0.0302","","","0.0774","0.078","","","","","","1.014","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230438","17.8583","0.0018","15.1686","0.001","6.9757","0.0003","90","","93.704","0.007","90","","1885.7","0.2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0873","0.0697","","","0.1803","0.1897","","","","","","1.055","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230439","12.6562","0.0003","13.9654","0.0007","28.3803","0.0012","83.572","0.004","79.127","0.003","78.777","0.003","4817.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H104 N12 O37 P6 -","- C84 H104 N12 O37 P6 -","- C168 H208 N24 O74 P12 -","2","1","","Seiler, Vanessa Kristina; Callebaut, Kevin; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Champagne, Benoît; Leyssens, Tom","Acidochromic spiropyran‒merocyanine stabilisation in the solid state","CrystEngComm","2018","20","24","3318","","10.1039/C8CE00291F","","","0.71073","MoKα","","0.0726","0.0471","","","0.1149","0.1288","","","","","","1.005","","","","has coordinates","228892","2020-10-21","18:00:00",""
"7230440","11.6901","0.0009","12.0958","0.0011","13.7122","0.0012","94.427","0.001","109.263","0.002","117.662","0.003","1558.4","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 La N2 O8 -","- C36 H25 Fe2 La N2 O8 -","- C72 H50 Fe4 La2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1063","0.0827","","","0.2352","0.2527","","","","","","1.015","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230441","11.5732","0.0009","12.0184","0.0011","13.6433","0.0012","94.667","0.001","109.238","0.002","117.504","0.003","1526.2","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Ce Fe2 N2 O8 -","- C36 H25 Ce Fe2 N2 O8 -","- C72 H50 Ce2 Fe4 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0631","0.0443","","","0.0991","0.1096","","","","","","0.971","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230442","11.6308","0.0011","12.1047","0.0012","13.7228","0.0013","94.562","0.001","109.213","0.001","117.492","0.002","1555.4","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 Nd O8 -","- C36 H25 Fe2 N2 Nd O8 -","- C72 H50 Fe4 N4 Nd2 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0481","0.0366","","","0.0793","0.0841","","","","","","0.972","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230443","11.3229","0.0011","10.413","0.0009","17.3743","0.0015","90","","90.417","0.001","90","","2048.5","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Ce2 Fe3 O17 -","- C40 H42 Ce2 Fe3 O17 -","- C80 H84 Ce4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0787","0.0462","","","0.0966","0.1118","","","","","","0.996","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230444","11.3555","0.0011","10.4486","0.0009","17.4158","0.0016","90","","90.562","0.001","90","","2066.3","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Pr2 -","- C40 H42 Fe3 O17 Pr2 -","- C80 H84 Fe6 O34 Pr4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0864","0.0527","","","0.1154","0.1259","","","","","","0.911","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230445","11.6323","0.0008","12.0808","0.0011","13.7012","0.0012","94.556","0.001","109.291","0.002","117.462","0.002","1549.5","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Pr -","- C36 H25 Fe2 N2 O8 Pr -","- C72 H50 Fe4 N4 O16 Pr2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0505","0.0381","","","0.0827","0.088","","","","","","0.968","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230446","11.3463","0.0011","10.4194","0.0009","17.4356","0.0015","90","","90.709","0.001","90","","2061.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tb2 -","- C40 H42 Fe3 O17 Tb2 -","- C80 H84 Fe6 O34 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1053","0.0589","","","0.1366","0.1623","","","","","","0.825","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230447","11.2736","0.0012","10.3725","0.0011","17.2866","0.0017","90","","90.495","0.002","90","","2021.3","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Nd2 O17 -","- C40 H42 Fe3 Nd2 O17 -","- C80 H84 Fe6 Nd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1311","0.0642","","","0.1454","0.1848","","","","","","1.054","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230448","11.2587","0.0008","10.3499","0.0006","17.3086","0.0012","90","","90.52","0.001","90","","2016.8","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Eu2 Fe3 O17 -","- C40 H42 Eu2 Fe3 O17 -","- C80 H84 Eu4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","1.54178","CuKα","","0.0932","0.0703","","","0.1645","0.182","","","","","","1.027","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230449","11.2515","0.0011","10.3397","0.0009","17.251","0.0015","90","","90.612","0.001","90","","2006.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 Gd2 O17 -","- C40 H42 Fe3 Gd2 O17 -","- C80 H84 Fe6 Gd4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0991","0.0549","","","0.1307","0.166","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230450","11.6356","0.0011","12.1243","0.0012","13.7652","0.0012","94.708","0.001","109.147","0.002","117.358","0.003","1565.3","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 N2 O8 Sm -","- C36 H25 Fe2 N2 O8 Sm -","- C72 H50 Fe4 N4 O16 Sm2 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.064","0.0423","","","0.0705","0.0766","","","","","","0.903","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230451","11.4571","0.0008","11.9664","0.0009","13.6101","0.0011","94.904","0.001","109.074","0.002","117.141","0.003","1507","0.2","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 Fe2 Gd N2 O8 -","- C36 H25 Fe2 Gd N2 O8 -","- C72 H50 Fe4 Gd2 N4 O16 -","2","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0638","0.0467","","","0.1194","0.1291","","","","","","0.984","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230452","11.2058","0.0012","10.2498","0.0009","17.3112","0.0019","90","","90.708","0.001","90","","1988.2","0.4","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 La2 O17 -","- C40 H42 Fe3 La2 O17 -","- C80 H84 Fe6 La4 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0888","0.0614","","","0.1702","0.1938","","","","","","1.034","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230453","14.7692","0.0012","10.8892","0.0009","21.5846","0.0016","90","","90.501","0.001","90","","3471.2","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.62 H27.86 Eu2 Fe3 O13.31 -","- C36.618 H27.854 Eu2 Fe3 O13.309 -","- C146.472 H111.416 Eu8 Fe12 O53.236 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0961","0.0506","","","0.0768","0.0909","","","","","","0.928","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230454","10.6759","0.0008","17.6542","0.0014","15.2541","0.0013","90","","107.965","0.002","90","","2734.8","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Tb2 -","- C62 H48 Fe3 N4 O14 Tb2 -","- C124 H96 Fe6 N8 O28 Tb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.052","0.0315","","","0.0657","0.0753","","","","","","1.094","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230455","10.6759","0.0009","17.6628","0.0016","15.2933","0.0013","90","","108.152","0.002","90","","2740.3","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 Gd2 N4 O14 -","- C62 H48 Fe3 Gd2 N4 O14 -","- C124 H96 Fe6 Gd4 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0474","0.0295","","","0.0654","0.0746","","","","","","1.075","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230456","10.6942","0.0009","17.7327","0.0016","15.3367","0.0014","90","","108.478","0.002","90","","2758.5","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Fe3 N4 O14 Sm2 -","- C62 H48 Fe3 N4 O14 Sm2 -","- C124 H96 Fe6 N8 O28 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0512","0.0302","","","0.0612","0.0698","","","","","","1.035","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230457","14.0408","0.0013","11.8581","0.0011","14.7027","0.0014","90","","108.905","0.002","90","","2315.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H32 Fe2 N6 Nd2 O14 -","- C48 H32 Fe2 N6 Nd2 O14 -","- C96 H64 Fe4 N12 Nd4 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0757","0.0571","","","0.1418","0.1552","","","","","","1.003","","","","has coordinates","229101","2020-10-21","18:00:00",""
"7230458","10.7129","0.0009","17.7399","0.0015","15.3398","0.0013","90","","108.298","0.002","90","","2767.9","0.4","298","2","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H48 Eu2 Fe3 N4 O14 -","- C62 H48 Eu2 Fe3 N4 O14 -","- C124 H96 Eu4 Fe6 N8 O28 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0684","0.0386","","","0.0752","0.0867","","","","","","1.05","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230459","11.2715","0.0009","10.3556","0.0008","17.3141","0.0015","90","","90.59","0.001","90","","2020.8","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Sm2 -","- C40 H42 Fe3 O17 Sm2 -","- C80 H84 Fe6 O34 Sm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0782","0.0454","","","0.1172","0.1468","","","","","","0.876","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230460","11.2291","0.0008","10.2751","0.0006","17.2975","0.0013","90","","90.784","0.001","90","","1995.6","0.2","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Er2 Fe3 O17 -","- C40 H42 Er2 Fe3 O17 -","- C80 H84 Er4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0605","0.0425","","","0.0937","0.105","","","","","","1.026","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230461","11.2407","0.0009","10.3184","0.0008","17.3146","0.0015","90","","90.809","0.001","90","","2008.1","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Dy2 Fe3 O17 -","- C40 H42 Dy2 Fe3 O17 -","- C80 H84 Dy4 Fe6 O34 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1094","0.0569","","","0.1181","0.1489","","","","","","1.025","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230462","11.1973","0.0009","10.2417","0.0008","17.2793","0.0014","90","","90.797","0.001","90","","1981.4","0.3","298","2","298.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H42 Fe3 O17 Tm2 -","- C40 H42 Fe3 O17 Tm2 -","- C80 H84 Fe6 O34 Tm4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.074","0.0433","","","0.1128","0.1442","","","","","","0.906","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230463","11.2469","0.0011","10.287","0.0009","20.5641","0.0018","90","","122.25","0.004","90","","2012.2","0.3","298","2","298.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H42 Fe3 O17 Yb2 -","- C40 H42 Fe3 O17 Yb2 -","- C80 H84 Fe6 O34 Yb4 -","2","0.5","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0671","0.0453","","","0.1153","0.1301","","","","","","0.805","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230464","14.3873","0.0012","10.9087","0.0009","21.6106","0.0017","90","","90.752","0.001","90","","3391.4","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C36.6 H27.8 Fe3 O13.3 Tb2 -","- C146.4 H111.2 Fe12 O53.2 Tb8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.1146","0.0609","","","0.1277","0.1549","","","","","","1.043","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230465","14.8077","0.0012","10.8766","0.0009","21.5334","0.0018","90","","90.597","0.001","90","","3467.9","0.5","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.67 H28 Fe3 O13.34 Sm2 -","- C36.668 H28.004 Fe3 O13.334 Sm2 -","- C146.672 H112.016 Fe12 O53.336 Sm8 -","4","1","","Du, Xue-Dong; Zheng, Weiwei; Yi, Xiao-Hong; Zhao, Jiong-Peng; Wang, Peng; Wang, Chong-Chen","General strategy for lanthanide coordination polymers constructed from 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions","CrystEngComm","2018","20","18","2608","","10.1039/C8CE00233A","","","0.71073","MoKα","","0.0989","0.052","","","0.1062","0.1302","","","","","","0.981","","","","has coordinates,has disorder","229101","2020-10-21","18:00:00",""
"7230466","25.19","0.005","15.05","0.003","39.49","0.008","90","","95.46","0.03","90","","14903","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";DySc2N@Ih(7)-C80/Ni(OEP)/2(C6H6);","DySc2N@Ih(7)-C80/Ni(OEP in C2/c","","- C125 H53 Dy N5 Ni Sc2 -","- C125 H53 Dy N5 Ni Sc2 -","- C1000 H424 Dy8 N40 Ni8 Sc16 -","8","1","","Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence.","Physical chemistry chemical physics : PCCP","2018","20","17","11656","11672","10.1039/c8cp01608a","","","0.896","synchrotron","","0.1702","0.1131","","","0.3181","0.3667","","","","","","1.114","","","","has coordinates,has disorder","230919","2020-10-21","18:00:00",""
"7230467","14.57","0.003","14.68","0.003","20.28","0.004","83.73","0.03","84.16","0.03","60.6","0.03","3750.6","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DySc2N@Ih(7)-C80/Ni(OEP)/1.28Toluene/0.72Benzene","DySc2N@Ih(7)-C80/Ni(OEP)-P-1","","- C129.29 H58.28 Dy N5 Ni Sc2 -","- C129.284 H58.284 Dy N5 Ni Sc2 -","- C258.568 H116.568 Dy2 N10 Ni2 Sc4 -","2","1","","Krylov, D. S.; Liu, F.; Brandenburg, A.; Spree, L.; Bon, V.; Kaskel, S.; Wolter, A. U. B.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Magnetization relaxation in the single-ion magnet DySc<sub>2</sub>N@C<sub>80</sub>: quantum tunneling, magnetic dilution, and unconventional temperature dependence.","Physical chemistry chemical physics : PCCP","2018","20","17","11656","11672","10.1039/c8cp01608a","","","0.896","synchrotron","","0.1579","0.1548","","","0.4272","0.4295","","","","","","1.064","","","","has coordinates,has disorder","230919","2020-10-21","18:00:00",""
"7230468","8.1328","0.0005","8.7088","0.0006","13.6692","0.0009","85.976","0.006","84.815","0.005","74.343","0.006","927.35","0.11","140","2","140","2","","","","","","","","4","P -1","-P 1","2","fenofibrate","","","- C20 H21 Cl O4 -","- C20 H21 Cl O4 -","- C40 H42 Cl2 O8 -","2","1","","Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng","Towards controlling the crystallisation behaviour of fenofibrate melt: triggers of crystallisation and polymorphic transformation","RSC Advances","2018","8","24","13513","","10.1039/C8RA01182F","","","0.71073","MoKα","","0.1307","0.0694","","","0.1265","0.1507","","","","","","1.023","","","","has coordinates","207300","2020-10-21","18:00:00",""
"7230469","14.7747","0.0003","11.8462","0.0003","13.9054","0.0003","90","","90","","90","","2433.78","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","J-A","","- C36 H28 N2 -","- C36 H28 N2 -","- C144 H112 N8 -","4","0.5","","Xia, Zeming; Guo, Xiaoyu; Zhu, Yanpeng; Wang, Yonggen; Wang, Jiaobing","A julolidine-fused anthracene derivative: synthesis, photophysical properties, and oxidative dimerization","RSC Advances","2018","8","24","13588","","10.1039/C8RA02205D","","x-ray","1.54184","CuKα","","0.0476","0.0409","","","0.1119","0.1181","","","","","","1.032","","","","has coordinates","207316","2020-10-21","18:00:00",""
"7230470","6.7767","0.0006","10.2586","0.0009","13.5319","0.0013","102.123","0.002","98.442","0.002","94.97","0.002","903.05","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis(2-benzyl-3,5-diphenyl-2,3-dihydro-1H-pyrazol-1-yl)palladium(IV) chloride","","- C22 H18 Cl N2 Pd0.5 -","- C22 H18 Cl N2 Pd0.5 -","- C44 H36 Cl2 N4 Pd -","2","1","","Ocansey, Edward; Darkwa, James; Makhubela, Banothile C. E.","Synthesis, characterization and evaluation of bulky bis(pyrazolyl)palladium complexes in Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2018","8","25","13826","","10.1039/C8RA01430B","","x-ray","0.71073","MoKα","","0.0316","0.0287","","","0.0674","0.0687","","","","","","1.082","","","","has coordinates","207330","2020-10-21","18:00:00",""
"7230471","9.1495","0.0007","11.0385","0.0008","11.775","0.001","68.418","0.007","81.041","0.007","68.191","0.007","1026.46","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O5 S -","- C23 H18 N2 O5 S -","- C46 H36 N4 O10 S2 -","2","1","","Yao, Xinghui; Weng, Xin; Wang, Kaixuan; Xiang, Haifeng; Zhou, Xiangge","Transition metal free oxygenation of 8-aminoquinoline amides in water","Green Chemistry","2018","20","11","2472","","10.1039/C8GC00191J","","x-ray","0.71073","MoKα","","0.0649","0.0454","","","0.1058","0.1201","","","","","","1.036","","","","has coordinates","230122","2020-10-21","18:00:00",""
"7230472","17.0967","0.0015","13.6362","0.0013","7.132","0.0007","90","","97.993","0.004","90","","1646.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Co3 N2 O22 -","- C28 H32 Co3 N2 O22 -","- C56 H64 Co6 N4 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0495","0.037","","","0.0915","0.0978","","","","","","1.112","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230473","16.6233","0.0015","13.4654","0.0013","7.1298","0.0007","90","","100.442","0.004","90","","1569.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Ni3 O22 -","- C28 H24 N2 Ni3 O22 -","- C56 H48 N4 Ni6 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0649","0.0436","","","0.103","0.1141","","","","","","1.047","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230474","16.699","0.004","13.51","0.003","7.1625","0.0018","90","","100.626","0.009","90","","1588.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 Ni3 O22 -","- C28 H24 N2 Ni3 O22 -","- C56 H48 N4 Ni6 O44 -","2","0.5","","Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu","Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties","RSC Advances","2018","8","25","14101","","10.1039/C8RA01900B","","","0.71073","MoKα","","0.0649","0.0444","","","0.1086","0.1185","","","","","","1.058","","","","has coordinates","207361","2020-10-21","18:00:00",""
"7230475","9.7204","0.0003","12.3536","0.0004","20.3225","0.0006","79.87","0.006","85.941","0.006","74.901","0.005","2318.59","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","bisANBODIPY-CN","","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","- C106.64 H105.32 B2 Cl2.66 F4 N9.34 -","1","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.1052","0.081","","","0.2087","0.2216","","","","","","1.035","","","","has coordinates,has disorder","207362","2020-10-21","18:00:00",""
"7230476","40.901","0.003","9.5734","0.0008","23.3784","0.0019","90","","109.513","0.008","90","","8628.3","1.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B-bisANBODIPYMe4","","- C88 H100 B2 F4 N4 -","- C88 H100 B2 F4 N4 -","- C352 H400 B8 F16 N16 -","4","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.0878","0.0615","","","0.1748","0.187","","","","","","1.035","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230477","18.82","0.005","9.636","0.003","29.019","0.008","90","","99.313","0.004","90","","5193","3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","BCOD-bisANBODIPYtetraester","","- C106 H130 B2 Cl6 F4 N4 O10 -","- C106 H130 B2 Cl6 F4 N4 O10 -","- C212 H260 B4 Cl12 F8 N8 O20 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","0.71075","MoKα","","0.1355","0.0981","","","0.2083","0.234","","","","","","1.055","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230478","9.7965","0.0009","15.1276","0.0014","18.8622","0.0017","67.575","0.005","82.999","0.006","89.724","0.006","2562","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","B-bisANBODIPYtetraester_sqd","","- C100 H114 B2 F4 N6 O8 -","- C100 H114 B2 F4 N6 O8 -","- C100 H114 B2 F4 N6 O8 -","1","0.5","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.1175","0.0722","","","0.1833","0.2097","","","","","","0.967","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230479","14.448","0.0004","16.3453","0.0004","17.0276","0.0004","96.286","0.007","100.811","0.007","92.31","0.007","3918.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","B-bisANBODIPYtetraester_HexO","","- C92 H100.75 B1.25 F2.5 N4 O10 -","- C92 H100.75 B1.25 F2.5 N4 O10 -","- C184 H201.5 B2.5 F5 N8 O20 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.0942","0.0771","","","0.1996","0.211","","","","","","1.068","","","","has coordinates,has disorder","207363","2020-10-21","18:00:00",""
"7230480","15.0241","0.0006","16.7591","0.0007","20.3153","0.0008","67.913","0.005","71.611","0.005","81.904","0.006","4496.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","BCOD-bisANBODIPYMe4_sqd","","- C90 H104 B2 F4 N4 -","- C90 H104 B2 F4 N4 -","- C180 H208 B4 F8 N8 -","2","1","","Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro","Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes","RSC Advances","2018","8","25","14072","","10.1039/C8RA01694A","","","1.54187","CuKα","","0.2227","0.0829","","","0.1789","0.1979","","","","","","1.029","","","","has coordinates","207363","2020-10-21","18:00:00",""
"7230481","14.1373","0.0003","11.23707","0.00018","9.45521","0.00017","90","","106.276","0.0019","90","","1441.87","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zonisamide-2-hydroxy-5-methylpyridine","","- C14 H15 N3 O4 S -","- C14 H15 N3 O4 S -","- C56 H60 N12 O16 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","0.71073","MoKα","","0.0324","0.0301","","","0.0775","0.079","","","","","","1.056","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230482","9.5902","0.0001","13.3084","0.0001","14.2436","0.0001","90","","91.855","0.001","90","","1816.96","0.03","297.3","0.4","297.3","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zonisamide:Caffeine","","- C16 H18 N6 O5 S -","- C16 H18 N6 O5 S -","- C64 H72 N24 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan","Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms","CrystEngComm","2018","20","21","2923","","10.1039/C8CE00084K","","x-ray","1.54184","CuKα","","0.0504","0.0504","","","0.1446","0.1446","","","","","","1.041","","","","has coordinates","229111","2020-10-21","18:00:00",""
"7230483","38.7879","0.001","8.0972","0.0002","8.3462","0.0002","90","","90","","90","","2621.32","0.11","120","","120","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C36 H32 N2 -","- C36 H32 N2 -","- C144 H128 N8 -","4","0.5","","Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.","Physical chemistry chemical physics : PCCP","2018","20","17","11867","11875","10.1039/c8cp01636d","","x-ray","1.54184","CuKα","","0.07","0.0438","","","0.0915","0.1015","","","","","","1.034","","","","has coordinates,has disorder","230918","2020-10-21","18:00:00",""
"7230484","9.3712","0.0005","12.2475","0.0007","12.7385","0.0007","92.853","0.005","102.427","0.005","111.744","0.006","1312.62","0.14","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 N4 -","- C36 H26 N4 -","- C72 H52 N8 -","2","1","","Wright, Iain A.; Al-Attar, Hameed A; Batsanov, Andrei S.; Monkman, Andrew P.; Bryce, Martin R.","Conformationally-restricted bicarbazoles with phenylene bridges displaying deep-blue emission and high triplet energies: systematic structure-property relationships.","Physical chemistry chemical physics : PCCP","2018","20","17","11867","11875","10.1039/c8cp01636d","","x-ray","0.71073","MoKα","","0.087","0.0583","","","0.1286","0.1449","","","","","","1.035","","","","has coordinates","230918","2020-10-21","18:00:00",""
"7230485","13.567","0.0005","16.78","0.0005","13.9927","0.0005","90","","106.554","0.003","90","","3053.46","0.19","153.15","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Fe O P3 Si -","- C28 H49 Fe O P3 Si -","- C112 H196 Fe4 O4 P12 Si4 -","4","1","","Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand","RSC Advances","2018","8","25","14092","","10.1039/C8RA02606H","","x-ray","0.71073","MoKα","","0.0498","0.0352","","","0.0877","0.0924","","","","","","0.973","","","","has coordinates","207379","2020-10-21","18:00:00",""
"7230486","11.7181","0.0007","18.9232","0.0006","35.1134","0.0015","90","","91.084","0.004","90","","7784.8","0.6","200.15","","200.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Fe P4 Si -","- C42 H48 Fe P4 Si -","- C336 H384 Fe8 P32 Si8 -","8","2","","Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand","RSC Advances","2018","8","25","14092","","10.1039/C8RA02606H","","x-ray","1.54186","CuKα","","0.071","0.0515","","","0.1312","0.1419","","","","","","1.029","","","","has coordinates","207379","2020-10-21","18:00:00",""
"7230487","5.86412","0.0001","10.14207","0.00016","27.2115","0.0004","90","","90","","90","","1618.39","0.04","149.95","0.1","149.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe O2 S2 -","- C20 H14 Fe O2 S2 -","- C80 H56 Fe4 O8 S8 -","4","1","","Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter","Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries","RSC Advances","2018","8","26","14193","","10.1039/C8RA00129D","","x-ray","0.71073","MoKα","","0.0289","0.0256","","","0.0516","0.0532","","","","","","1.077","","","","has coordinates","207380","2020-10-21","18:00:00",""
"7230488","12.0254","0.0006","15.9496","0.0009","16.7865","0.0007","90","","115.616","0.003","90","","2903.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Br N3 O5 -","- C30 H27.5 Br N3 O4.5 -","- C120 H110 Br4 N12 O18 -","4","1","","Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.","Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1","RSC Advances","2018","8","26","14335","","10.1039/C8RA02358A","","","0.71073","MoKα","","0.1672","0.0907","","","0.2317","0.2789","","","","","","1.029","","","","has coordinates","207381","2020-10-21","18:00:00",""
"7230489","13.3388","0.0005","7.1295","0.0003","13.188","0.0005","90","","97.232","0.002","90","","1244.19","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.","Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1","RSC Advances","2018","8","26","14335","","10.1039/C8RA02358A","","","0.71073","MoKα","","0.1018","0.0604","","","0.134","0.1517","","","","","","1.011","","","","has coordinates","207381","2020-10-21","18:00:00",""
"7230490","9.1533","0.0004","11.0888","0.0004","18.0746","0.0007","100.192","0.003","103.814","0.004","90.08","0.003","1751.55","0.13","143","","143","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1228","0.0684","","","0.153","0.1855","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230491","9.1764","0.0004","11.1823","0.0004","18.1079","0.0007","79.869","0.003","76.15","0.003","89.88","0.003","1774.4","0.12","243","","243","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1548","0.0783","","","0.1777","0.2265","","","","","","1.026","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230492","9.1906","0.0005","11.229","0.0006","18.12","0.0009","79.943","0.004","76.137","0.004","89.745","0.004","1786.27","0.17","293","","293","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1783","0.0818","","","0.1859","0.2478","","","","","","1.027","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230493","9.2864","0.0007","11.4128","0.0007","18.2356","0.0012","80.141","0.006","76.139","0.006","89.451","0.006","1847.7","0.2","393","","393","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2562","0.0857","","","0.1952","0.2965","","","","","","0.956","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230494","9.1682","0.0004","11.1406","0.0004","18.1008","0.0007","79.815","0.003","76.166","0.004","89.991","0.003","1765.17","0.13","193","","193","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.133","0.0719","","","0.1601","0.1991","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230495","9.241","0.0005","11.3265","0.0006","18.1906","0.001","80.038","0.005","76.141","0.005","89.607","0.005","1819.49","0.18","343","","343","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C78 H90 N18 -","3","1.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.2086","0.0841","","","0.1908","0.2665","","","","","","1.02","","","","has coordinates","229014","2020-10-21","18:00:00",""
"7230496","7.2349","0.0009","9.5192","0.0015","9.8308","0.0018","87.588","0.014","84.227","0.012","70.714","0.013","635.79","0.18","443","","443","","","","","","","","","3","P -1","-P 1","2","DE2","N, N'-bis [(4-diethylaminophenyl) methylidene] diaminomaleonitrile","","- C26 H30 N6 -","- C26 H30 N6 -","- C26 H30 N6 -","1","0.5","","Minami, Takaya; Sato, Hiroyasu; Matsumoto, Shinya","Macroscopic crystalline deformation in an organic dye during reversible phase transition caused by alkyl disorder","CrystEngComm","2018","20","19","2644","","10.1039/C8CE00465J","","","0.71075","MoKα","","0.1253","0.0758","","","0.2415","0.3135","","","","","","0.965","","","","has coordinates,has disorder","229014","2020-10-21","18:00:00",""
"7230497","10.203","0.002","9.936","0.002","7.3949","0.0015","90","","90","","90","","749.7","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","RbNTZF","RbNTZF","","- C3 N7 O3 Rb -","- C3 N7 O3 Rb -","- C12 N28 O12 Rb4 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0328","0.0304","","","0.1012","0.1247","","","","","","1.33","","","","has coordinates","207390","2020-10-21","18:00:00",""
"7230498","10.376","0.002","10.128","0.002","7.6675","0.0015","90","","90","","90","","805.8","0.3","153","2","153.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 Cs N7 O3 -","- C3 Cs N7 O3 -","- C12 Cs4 N28 O12 -","4","1","","Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen","3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance","RSC Advances","2018","8","26","14589","","10.1039/C8RA02682C","","","0.71073","MoKα","","0.0497","0.037","","","0.1064","0.18","","","","","","1.689","","","","has coordinates","207390","2020-10-21","18:00:00",""
"7230499","12.105","0.002","7.6772","0.0015","11.507","0.002","90","","97.73","0.03","90","","1059.7","0.3","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Yu, Wenjia; Zhang, Xianwei; Qin, Bingjie; Wang, Qiyang; Ren, Xuhong; He, Xinhua","Furan-2-carbaldehydes as C1 building blocks for the synthesis of quinazolin-4(3H)-ones via ligand-free photocatalytic C‒C bond cleavage","Green Chemistry","2018","20","11","2449","","10.1039/C8GC00079D","","","0.71073","MoKα","","0.0695","0.0617","","","0.1437","0.15","","","","","","1.152","","","","has coordinates","230121","2020-10-21","18:00:00",""
"7230500","10.351","0.002","11.378","0.002","12.992","0.003","90","","106.17","0.03","90","","1469.6","0.6","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Yu, Wenjia; Zhang, Xianwei; Qin, Bingjie; Wang, Qiyang; Ren, Xuhong; He, Xinhua","Furan-2-carbaldehydes as C1 building blocks for the synthesis of quinazolin-4(3H)-ones via ligand-free photocatalytic C‒C bond cleavage","Green Chemistry","2018","20","11","2449","","10.1039/C8GC00079D","","","0.71073","MoKα","","0.0602","0.0553","","","0.1266","0.1302","","","","","","1.143","","","","has coordinates","230121","2020-10-21","18:00:00",""
"7230501","14.7181","0.0007","10.2605","0.0005","12.0651","0.0006","90","","90","","90","","1822.01","0.15","150","","150","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","0.5","","Kotha, Sambasivarao; Pulletikurti, Sunil","Synthesis of propellanes containing a bicyclo[2.2.2]octene unit via the Diels‒Alder reaction and ring-closing metathesis as key steps","RSC Advances","2018","8","27","14906","","10.1039/C8RA02687D","","x-ray","0.71073","MoKα","","0.056","0.0455","","","0.1211","0.1319","","","","","","1.06","","","","has coordinates","207403","2020-10-21","18:00:00",""
"7230502","14.1111","0.0001","11.0424","0.0001","20.3079","0.0002","90","","94.01","0.001","90","","3156.64","0.05","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H75 Cl9 O20 -","- C57 H75 Cl9 O20 -","- C114 H150 Cl18 O40 -","2","1","","Yan, Chong; Liu, Weiyang; Li, Jing; Deng, Yanlian; Chen, Senhua; Liu, Hongju","Bioactive terpenoids from Santalum album derived endophytic fungus Fusarium sp. YD-2","RSC Advances","2018","8","27","14823","","10.1039/C8RA02430H","","x-ray","1.54178","CuKα","","0.0618","0.0605","","","0.1718","0.1739","","","","","","1.043","","","","has coordinates","207404","2020-10-21","18:00:00",""
"7230503","14.2424","0.0008","5.0793","0.0003","33.737","0.002","90","","95.632","0.004","90","","2428.8","0.2","123","2","123.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N4 O7 -","- C27 H24 N4 O7 -","- C108 H96 N16 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0623","0.0473","","","0.1374","0.1485","","","","","","1.05","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230504","21.6006","0.0007","6.6844","0.0003","13.556","0.0005","90","","92.0997","0.0019","90","","1956","0.13","296.15","","296.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C80 H92 N4 O28 -","4","1","","Luo, Chun; Liang, Wendong; Chen, Xin; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pharmaceutical cocrystals of naringenin with improved dissolution performance","CrystEngComm","2018","20","22","3025","","10.1039/C8CE00341F","","","1.54178","CuKα","","0.0578","0.0524","","","0.1438","0.1489","","","","","","1.045","","","","has coordinates,has disorder","228900","2020-10-21","18:00:00",""
"7230505","6.5955","0.0013","8.4859","0.0017","10.52","0.002","97.89","0.03","104.35","0.03","105.18","0.03","537.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","- C14 H18 Li2 O18 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0623","0.0457","","","0.1113","0.1458","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230506","9.4773","0.0019","11.234","0.002","11.395","0.002","103.42","0.03","105.59","0.03","111.57","0.03","1009.9","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Li3 O17 S2 -","- C14 H15 Li3 O17 S2 -","- C28 H30 Li6 O34 S4 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1022","0.0569","","","0.1578","0.2264","","","","","","1.049","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230507","7.9183","0.0016","23.776","0.005","14.591","0.003","90","","91.53","0.03","90","","2746","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 Li4 O25 S2 -","- C14 H30 Li4 O25 S2 -","- C56 H120 Li16 O100 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0914","0.051","","","0.1158","0.1678","","","","","","1.099","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230508","6.744","0.002","7.4426","0.0015","11.956","0.004","82.36","0.03","75.55","0.03","65.57","0.02","528.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H9 Li O9 S -","- C7 H9 Li O9 S -","- C14 H18 Li2 O18 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0835","0.0551","","","0.1154","0.1296","","","","","","1.034","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230509","6.7774","0.0014","19.536","0.004","12.428","0.004","90","","107.44","0.03","90","","1569.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Li2 O14 S -","- C7 H18 Li2 O14 S -","- C28 H72 Li8 O56 S4 -","4","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0628","0.0601","","","0.0678","0.0831","","","","","","1.009","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230510","6.6823","0.0013","22.875","0.005","17.016","0.003","90","","99.25","0.03","90","","2567.2","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Li4 O24 S2 -","- C14 H28 Li4 O24 S2 -","- C56 H112 Li16 O96 S8 -","4","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1017","0.0658","","","0.1543","0.183","","","","","","1.089","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230511","7.654","0.0015","7.9908","0.0016","11.596","0.002","100.74","0.03","92.23","0.03","117.66","0.03","610.7","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H12 Li2 O11 S -","- C7 H12 Li2 O11 S -","- C14 H24 Li4 O22 S2 -","2","1","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.1129","0.0565","","","0.1157","0.1858","","","","","","1.077","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230512","6.7398","0.0013","8.9279","0.0018","11.803","0.002","94.93","0.03","96.12","0.03","106.26","0.03","672.9","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","- C14 H28 Li6 O25 S2 -","1","0.5","","Ge, Zhong-Yi; Zhu, Zhi-Biao; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Structure evolution and luminescence properties of lithium(i)‒sulfonate complexes constructed from multifunctional arenedisulfonic acids","CrystEngComm","2018","20","21","2968","","10.1039/C8CE00224J","","","0.71073","MoKα","","0.0601","0.0542","","","0.1483","0.1587","","","","","","1.094","","","","has coordinates","229112","2020-10-21","18:00:00",""
"7230513","6.1629","0.0002","18.1237","0.0006","12.4853","0.0004","90","","102.545","0.002","90","","1361.25","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C60 H92 O14 -","2","1","","Lu, Ni-Hong; Zhang, Zi-Wei; Guo, Rui-Wei; Yang, Li-Xia; Song, Ya-Xian; Ye, Jin-Shan; Shi, Yan-Kun","Yunnanterpene G, a spiro-triterpene from the roots of Cimicifuga foetida, downregulates the expression of CD147 and MMPs in PMA differentiated THP-1 cells","RSC Advances","2018","8","27","15036","","10.1039/C8RA01895B","","","1.54178","CuKα","","0.0472","0.0456","","","0.1194","0.1209","","","","","","1.047","","","","has coordinates","207424","2020-10-21","18:00:00",""
"7230514","6.416","0.014","3.922","0.009","31.56","0.06","90","","90.01","0.03","90","","794","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1572","0.1008","","","0.2796","0.3288","","","","","","1.026","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230515","6.394","0.004","3.753","0.002","31.224","0.017","90","","90.01","0.03","90","","749.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.53 F1.47 O2 -","- C9 H6.53 F1.47 O2 -","- C36 H26.12 F5.88 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.139","0.1064","","","0.3002","0.3471","","","","","","1.04","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230516","6.326","0.004","3.7474","0.0014","32.081","0.017","90","","91.7","0.03","90","","760.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.54 O2 -","- C9 H6.459 F1.541 O2 -","- C36 H25.836 F6.164 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1508","0.1031","","","0.2628","0.3089","","","","","","1.009","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230517","3.7371","0.0002","6.3196","0.0003","32.5261","0.0014","90","","92.317","0.002","90","","767.54","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.39 F1.62 O2 -","- C9 H6.385 F1.615 O2 -","- C36 H25.54 F6.46 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0831","0.0681","","","0.1698","0.1765","","","","","","1.092","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230518","3.7435","0.0001","6.3336","0.0002","32.481","0.0009","90","","92.31","0.001","90","","769.49","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.44 F1.56 O2 -","- C9 H6.437 F1.563 O2 -","- C36 H25.748 F6.252 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0595","0.0481","","","0.1181","0.1247","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230519","3.738","0.005","6.608","0.009","31.18","0.04","90","","90.847","0.016","90","","770.1","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.29 F1.71 O2 -","- C9 H6.294 F1.706 O2 -","- C36 H25.176 F6.824 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0793","0.0653","","","0.1634","0.1748","","","","","","1.053","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230520","3.7401","0.0011","6.5015","0.0018","32.588","0.009","90","","92.075","0.015","90","","791.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.1 F1.9 O2 -","- C9 H6.1 F1.9 O2 -","- C36 H24.4 F7.6 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1121","0.092","","","0.2456","0.2681","","","","","","1.007","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230521","3.7674","0.0011","6.5778","0.0019","31.345","0.009","90","","91.121","0.015","90","","776.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.24 F1.76 O2 -","- C9 H6.24 F1.76 O2 -","- C36 H24.96 F7.04 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0997","0.0807","","","0.235","0.2528","","","","","","1.096","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230522","3.886","0.01","6.464","0.016","31.73","0.08","90","","92.54","0.03","90","","796","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.126","0.0901","","","0.2832","0.3283","","","","","","1.055","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230523","3.789","0.004","6.337","0.006","15.846","0.016","84.53","0.02","85.15","0.019","87.11","0.03","377","0.7","373","2","373","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0702","0.0647","","","0.1767","0.1834","","","","","","0.999","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230524","3.807","0.008","6.296","0.013","15.98","0.03","84.74","0.04","84.44","0.04","86.65","0.05","379.1","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H6.995 F1.005 O2 -","- C18 H13.99 F2.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0862","0.0611","","","0.1579","0.1827","","","","","","0.912","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230525","3.7384","0.0013","6.621","0.003","31.171","0.01","90","","90.852","0.019","90","","771.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.47 F1.54 O2 -","- C9 H6.465 F1.535 O2 -","- C36 H25.86 F6.14 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0728","0.0591","","","0.149","0.1592","","","","","","0.983","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230526","6.322","0.003","3.7467","0.0016","32.162","0.013","90","","91.57","0.02","90","","761.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.43 F1.57 O2 -","- C9 H6.432 F1.568 O2 -","- C36 H25.728 F6.272 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1457","0.1032","","","0.2698","0.3042","","","","","","1.068","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230527","3.768","0.016","6.37","0.03","32.12","0.13","90","","92.13","0.06","90","","770","6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.36 F1.64 O2 -","- C9 H6.362 F1.638 O2 -","- C36 H25.448 F6.552 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1661","0.1131","","","0.305","0.3644","","","","","","1.076","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230528","3.749","0.008","6.347","0.014","32.46","0.07","90","","92.23","0.03","90","","772","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.3 F1.7 O2 -","- C9 H6.297 F1.703 O2 -","- C36 H25.188 F6.812 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.114","0.0897","","","0.25","0.2822","","","","","","1.043","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230529","3.756","0.009","6.293","0.016","16.06","0.04","86.11","0.04","85.37","0.06","87.17","0.05","377.1","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.491 F1.509 O2 -","- C18 H12.982 F3.018 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1225","0.0803","","","0.2028","0.2487","","","","","","1.029","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230530","3.783","0.006","6.316","0.01","16.16","0.03","86.25","0.02","85.69","0.04","87.28","0.03","383.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6.5 F1.51 O2 -","- C9 H6.495 F1.505 O2 -","- C18 H12.99 F3.01 O4 -","2","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.09","0.0622","","","0.1487","0.1701","","","","","","1.036","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230531","3.742","0.0013","6.613","0.003","31.174","0.015","90","","90.79","0.02","90","","771.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.55 F1.45 O2 -","- C9 H6.546 F1.454 O2 -","- C36 H26.184 F5.816 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0948","0.0784","","","0.1968","0.2128","","","","","","0.998","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230532","3.8093","0.0005","6.5708","0.0009","31.453","0.004","90","","90.551","0.004","90","","787.24","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1455","0.0981","","","0.2675","0.3211","","","","","","0.974","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230533","6.307","0.012","3.778","0.007","31.68","0.05","90","","91.02","0.04","90","","755","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1214","0.0795","","","0.1825","0.2027","","","","","","0.814","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230534","3.7681","0.0016","6.618","0.003","31.762","0.015","90","","95.72","0.03","90","","788.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.76 F1.24 O2 -","- C9 H6.762 F1.238 O2 -","- C36 H27.048 F4.952 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1249","0.0932","","","0.2133","0.2395","","","","","","1.131","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230535","3.735","0.004","6.614","0.008","31.11","0.03","90","","90.93","0.02","90","","768.4","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.31 F1.69 O2 -","- C9 H6.308 F1.692 O2 -","- C36 H25.232 F6.768 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0959","0.0781","","","0.1698","0.1836","","","","","","0.969","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230536","3.8154","0.0004","6.3634","0.0006","32.845","0.003","90","","91.146","0.003","90","","797.28","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0754","0.0605","","","0.1473","0.1592","","","","","","1.075","","","","has coordinates","229045","2020-10-21","18:00:00",""
"7230537","3.7189","0.0003","6.4694","0.0006","32.965","0.003","90","","92.198","0.004","90","","792.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 F2 O2 -","- C9 H6 F2 O2 -","- C36 H24 F8 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.0526","0.0473","","","0.1252","0.1297","","","","","","1.031","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230538","6.578","0.002","3.7325","0.001","31.302","0.011","90","","90.178","0.015","90","","768.5","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.49 F1.51 O2 -","- C9 H6.487 F1.513 O2 -","- C36 H25.948 F6.052 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1023","0.0727","","","0.186","0.2147","","","","","","1.062","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230539","3.769","0.009","6.599","0.015","31.6","0.07","90","","91.27","0.03","90","","786","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6.26 F1.74 O2 -","- C9 H6.264 F1.736 O2 -","- C36 H25.056 F6.944 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1139","0.0957","","","0.2303","0.2547","","","","","","0.958","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230540","6.348","0.011","3.765","0.007","32.16","0.06","90","","91.47","0.03","90","","768","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6.46 F1.55 O2 -","- C9 H6.455 F1.545 O2 -","- C36 H25.82 F6.18 O8 -","4","1","","Chakraborty, Shaunak; Desiraju, Gautam R.","Exploring the structural landscape with ‘partial’ fluoro-substitution as a probe","CrystEngComm","2018","20","20","2793","","10.1039/C8CE00336J","","","0.71073","MoKα","","0.1389","0.1082","","","0.2826","0.3252","","","","","","1.057","","","","has coordinates,has disorder","229045","2020-10-21","18:00:00",""
"7230541","21.287","0.003","21.287","0.003","6.9924","0.001","90","","90","","90","","3168.5","0.8","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H8 O27 P4 U4 -","- C12 H8 O27 P4 U4 -","- C48 H32 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0456","0.0399","","","0.0964","0.0988","","","","","","1.062","","","","has coordinates,has disorder","229104","2020-10-21","18:00:00",""
"7230542","21.114","0.006","21.114","0.006","6.941","0.002","90","","90","","90","","3094.3","1.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C12 H16 O27 P4 U4 -","- C12 H16 O27 P4 U4 -","- C48 H64 O108 P16 U16 -","4","0.5","","Wang, Yi; Wang, Xiangxiang; Zhang, Dongya; Zhou, Fan; Gui, Daxiang; Zheng, Tao; Li, Jiansheng; Chai, Zhifang; Wang, Shuao","A uranyl phosphonate framework with a temperature-induced order‒disorder transition and temperature-correlated photoluminescence","CrystEngComm","2018","20","23","3153","","10.1039/C8CE00450A","","","0.71073","MoKα","","0.0405","0.0351","","","0.0776","0.0798","","","","","","1.057","","","","has coordinates","229104","2020-10-21","18:00:00",""
"7230543","29.3603","0.0005","29.3603","0.0005","20.4187","0.0004","90","","90","","120","","15243.3","0.5","296","2","296","2","","","","","","","","6","P 32","P 32","145","lamivudine duplex V","","","- C36 H48 F6 N12 O17 S4 -","- C36 H48 F6 N12 O17 S4 -","- C432 H576 F72 N144 O204 S48 -","12","4","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0922","0.0649","","","0.1625","0.1863","","","","","","1.025","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230544","6.2322","0.0007","13.2055","0.0015","17.424","0.002","90","","90","","90","","1434","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lamivudine perchlorate monohydrate","","","- C8 H14 Cl N3 O8 S -","- C8 H14 Cl N3 O8 S -","- C32 H56 Cl4 N12 O32 S4 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0721","0.0469","","","0.1052","0.1194","","","","","","1.032","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230545","6.756","0.002","10.726","0.003","23.809","0.008","90","","90","","90","","1725.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen sulfate","","","- C8 H13 N3 O7 S2 -","- C8 H13 N3 O7 S2 -","- C32 H52 N12 O28 S8 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.1028","0.0839","","","0.2231","0.2463","","","","","","1.042","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230546","6.7148","0.0014","17.982","0.006","19.374","0.005","90","","90","","90","","2339.3","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine sulfate","","","- C16 H24 N6 O10 S3 -","- C16 H24 N6 O10 S3 -","- C64 H96 N24 O40 S12 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0806","0.0488","","","0.0978","0.1141","","","","","","1.024","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230547","14.838","0.001","14.838","0.001","42.003","0.003","90","","90","","120","","8008.7","1","293","2","293","2","","","","","","","","6","P 61","P 61","169","lamivudine duplex VI","","","- C36 H48 Cl6 N12 O17 S4 -","- C36 H48 Cl6 N12 O17 S4 -","- C216 H288 Cl36 N72 O102 S24 -","6","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.2581","0.1421","","","0.3309","0.4163","","","","","","1.243","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230548","10.217","0.003","13.069","0.004","14.918","0.005","90","","95.342","0.007","90","","1983.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine propan-1-ol","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-\ thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-1-ol solvate","","- C20 H28 N4 O S -","- C20 H28 N4 O S -","- C80 H112 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Reutzel-Edens, Susan M.; Johnston, Blair F.; Florence, Alastair J.","A random forest model for predicting crystal packing of olanzapine solvates","CrystEngComm","2018","20","28","3947","","10.1039/C8CE00261D","","","0.71073","MoKα","","0.0927","0.0531","","","0.1229","0.1383","","","","","","0.928","","","","has coordinates","228883","2020-10-21","18:00:00",""
"7230549","11.1093","0.0002","12.6235","0.0003","15.366","0.0003","90","","90","","90","","2154.9","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C108 H84 N4 O16 -","4","1","","Lin, Jun-Bing; Cheng, Xi-Na; Tian, Xiao-Dong; Xu, Guo-Qiang; Luo, Yong-Chun; Xu, Peng-Fei","A C1-symmetric N-heterocyclic carbene catalysed oxidative spiroannulation of isatin-derived enals: highly enantioselective synthesis of spirooxindole δ-lactones","RSC Advances","2018","8","28","15444","","10.1039/C8RA02009D","","","1.5418","CuKα","","0.0432","0.0418","","","0.1096","0.1119","","","","","","1.04","","","","has coordinates","207461","2020-10-21","18:00:00",""
"7230550","8.023","0.0006","10.5211","0.0008","18.4479","0.0016","90","","90","","90","","1557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Singh, Anoop; Mir, Nisar A.; Choudhary, Sachin; Singh, Deepika; Sharma, Preetika; Kant, Rajni; Kumar, Indresh","One-pot sequential multicomponent reaction between in situ generated aldimines and succinaldehyde: facile synthesis of substituted pyrrole-3-carbaldehydes and applications towards medicinally important fused heterocycles","RSC Advances","2018","8","28","15448","","10.1039/C8RA01637B","","","0.71073","MoKα","","0.0911","0.0511","","","0.0913","0.1085","","","","","","1.032","","","","has coordinates","207462","2020-10-21","18:00:00",""
"7230551","9.9462","0.0007","15.4122","0.0009","15.2477","0.0011","90","","96.432","0.007","90","","2322.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl N2 O3 S -","- C26 H19 Cl N2 O3 S -","- C104 H76 Cl4 N8 O12 S4 -","4","1","","Singh, Anoop; Mir, Nisar A.; Choudhary, Sachin; Singh, Deepika; Sharma, Preetika; Kant, Rajni; Kumar, Indresh","One-pot sequential multicomponent reaction between in situ generated aldimines and succinaldehyde: facile synthesis of substituted pyrrole-3-carbaldehydes and applications towards medicinally important fused heterocycles","RSC Advances","2018","8","28","15448","","10.1039/C8RA01637B","","","0.71073","MoKα","","0.0945","0.0515","","","0.1143","0.1347","","","","","","1.017","","","","has coordinates","207462","2020-10-21","18:00:00",""
"7230552","10.0094","0.0003","12.3115","0.0004","16.2016","0.0005","105.182","0.003","103.964","0.003","99.368","0.003","1814.67","0.11","113","0.1","113","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F18 Gd N5 O9 -","- C25 H21 F18 Gd N5 O9 -","- C50 H42 F36 Gd2 N10 O18 -","2","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","x-ray","0.71073","MoKα","","0.0462","0.0394","","","0.0868","0.0913","","","","","","1.03","","","","has coordinates,has disorder","207463","2020-10-21","18:00:00",""
"7230553","17.435","0.0004","21.3325","0.0007","23.0646","0.0005","90","","97.183","0.002","90","","8511.1","0.4","156.9","0.7","156.9","0.7","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H39 Cl3 Dy2 F36 N10 O16 -","- C51 H39 Cl3 Dy2 F36 N10 O16 -","- C204 H156 Cl12 Dy8 F144 N40 O64 -","4","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","","1.54184","CuKα","","0.0897","0.0739","","","0.1933","0.206","","","","","","1.06","","","","has coordinates,has disorder","207463","2020-10-21","18:00:00",""
"7230554","9.9958","0.0003","12.3076","0.0004","16.1878","0.0006","105.052","0.003","103.9","0.003","99.476","0.003","1811.28","0.12","113.01","0.1","113.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 F18 N5 O9 Tb -","- C25 H21 F18 N5 O9 Tb -","- C50 H42 F36 N10 O18 Tb2 -","2","1","","Chen, Peng Yun; Wu, Ming Ze; Shi, Xiu Juan; Tian, Li","A family of multi-spin rare-earth complexes based on a triazole nitronyl nitroxide radical: synthesis, structure and magnetic properties","RSC Advances","2018","8","28","15480","","10.1039/C8RA02546K","","x-ray","1.54184","CuKα","","0.0522","0.047","","","0.116","0.1205","","","","","","1.042","","","","has coordinates,has disorder","207463","2020-10-21","18:00:00",""
"7230555","7.4127","0.0001","8.0298","0.0001","10.9583","0.0002","73.3544","0.0008","83.3366","0.0008","73.6078","0.0008","599.09","0.016","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","","Hu, Rong; Zhoujin, Yunping; Liu, Meng; Zhang, Mingtao; Parkin, Sean; Zhou, Panpan; Wang, Jianzhi; Yu, Faquan; Long, Sihui","Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid","RSC Advances","2018","8","28","15459","","10.1039/C7RA13353G","","","0.71073","MoKα","","0.0496","0.0434","","","0.114","0.119","","","","","","1.065","","","","has coordinates","207464","2020-10-21","18:00:00",""
"7230556","7.524","0.002","8.103","0.002","11.191","0.003","72.582","0.004","83.74","0.004","73.854","0.004","625.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","","Hu, Rong; Zhoujin, Yunping; Liu, Meng; Zhang, Mingtao; Parkin, Sean; Zhou, Panpan; Wang, Jianzhi; Yu, Faquan; Long, Sihui","Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid","RSC Advances","2018","8","28","15459","","10.1039/C7RA13353G","","","0.71073","MoKα","","0.0545","0.0474","","","0.1307","0.1385","","","","","","1.06","","","","has coordinates","207464","2020-10-21","18:00:00",""
"7230557","8.5141","0.0017","17.426","0.004","17","0.003","90","","97.44","0.03","90","","2501","0.9","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 -","- C36 H28 -","- C144 H112 -","4","1","","Zhang, Zhao-Ming; Miao, Bao-Xi; Tang, Xin-Xue; Ni, Zhong-Hai","A series of 4,5,9,10-tetrahydropyrene-based tetraarylethenes: synthesis, structures and solid-state emission behavior","RSC Advances","2018","8","27","15173","","10.1039/C8RA00057C","","","0.71073","MoKα","","0.092","0.0832","","","0.2043","0.2169","","","","","","1.091","","","","has coordinates","207465","2020-10-21","18:00:00",""
"7230558","8.1823","0.0016","12.694","0.003","19.994","0.004","90.14","0.03","93.52","0.03","101.8","0.03","2028.7","0.8","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C56 H44 -","- C56 H44 -","- C112 H88 -","2","1","","Zhang, Zhao-Ming; Miao, Bao-Xi; Tang, Xin-Xue; Ni, Zhong-Hai","A series of 4,5,9,10-tetrahydropyrene-based tetraarylethenes: synthesis, structures and solid-state emission behavior","RSC Advances","2018","8","27","15173","","10.1039/C8RA00057C","","","0.71073","MoKα","","0.1356","0.0816","","","0.1866","0.215","","","","","","1.051","","","","has coordinates,has disorder","207465","2020-10-21","18:00:00",""
"7230559","15.582","0.003","19.365","0.002","22.631","0.004","91.544","0.007","92.106","0.015","93.021","0.013","6811.9","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C105 H127 F9 O52 Ti13 -","- C105 H117 F9 O52 Ti13 -","- C210 H234 F18 O104 Ti26 -","2","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","0.71073","MoKα","","0.1636","0.0925","","","0.2263","0.2754","","","","","","1.036","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230560","30.9695","0.0005","17.8839","0.0003","26.09","0.0004","90","","108.239","0.002","90","","13724.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C113 H260 O55 Ti14 -","- C113 H168 O55 Ti14 -","- C452 H672 O220 Ti56 -","4","1","","Zhu, Bang-Chang; Fang, Wei-Hui; Emayavaramban, Perumal; Zhang, Lei; Zhang, Jian","Structures and photophysical performances of (fluoro)salicylate stabilized polyoxo-titanium clusters","CrystEngComm","2018","20","39","5964","","10.1039/C8CE00150B","","","1.54178","CuKα","","0.1027","0.0851","","","0.228","0.2498","","","","","","1.061","","","","has coordinates","228983","2020-10-21","18:00:00",""
"7230561","8.7974","0.0005","6.696","0.0004","23.1544","0.0015","90","","93.145","0.005","90","","1361.91","0.14","110.8","0.2","110.8","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 Mn O8 -","- C10 H18 Mn O8 -","- C40 H72 Mn4 O32 -","4","1","","Kretzschmar, B. S. M.; Assim, K.; Preuß, A.; Heft, A.; Korb, M.; Pügner, M.; Lampke, T.; Grünler, B.; Lang, H.","Cobalt and manganese carboxylates for metal oxide thin film deposition by applying the atmospheric pressure combustion chemical vapour deposition process","RSC Advances","2018","8","28","15632","","10.1039/C8RA02288G","","","0.71073","MoKα","","0.0676","0.0614","","","0.1519","0.1547","","","","","","1.14","","","","has coordinates","207478","2020-10-21","18:00:00",""
"7230562","9.3851","0.0006","11.5543","0.0008","12.0921","0.0008","95.088","0.001","91.155","0.001","104.026","0.001","1265.96","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Cl2 N O2 -","- C31 H25 Cl2 N O2 -","- C62 H50 Cl4 N2 O4 -","2","1","","Guo, Jiao-Mei; Wang, Wen-Bo; Guo, Jia; Zhu, Yan-Shuo; Bai, Xu-Guan; Jin, Shao-Jing; Wang, Qi-Lin; Bu, Zhan-Wei","Diastereoselective construction of 4-indole substituted chromans bearing a ketal motif through a three-component Friedel‒Crafts alkylation/ketalization sequence","RSC Advances","2018","8","28","15641","","10.1039/C8RA02481B","","","0.71073","MoKα","","0.0513","0.0375","","","0.0992","0.107","","","","","","1.034","","","","has coordinates","207479","2020-10-21","18:00:00",""
"7230563","7.3454","0.0013","6.2161","0.001","10.797","0.0018","90","","108.144","0.015","90","","468.48","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C20 H20 N4 O4 -","2","1","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0895","0.0673","","","0.184","0.1977","","","","","","1.001","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230564","10.3679","0.001","6.4569","0.0007","18.3125","0.0015","90","","98.023","0.007","90","","1213.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30.52 N6 Ni O7.26 -","- C20 H30.5252 N6 Ni O7.262 -","- C40 H61.0504 N12 Ni2 O14.524 -","2","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0751","0.052","","","0.1396","0.1533","","","","","","1.078","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230565","6.7306","0.0012","8.9921","0.0013","10.4338","0.0015","95.898","0.012","91.502","0.013","99.545","0.014","618.84","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31.66 N7.23 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","- C20 H31.6768 N7.226 Ni O6 -","1","0.5","","Daszkiewicz, Marek; Puszyńska-Tuszkanow, Mariola; Staszak, Zbigniew; Chojnacka, Ida; Fałtynowicz, Hanna; Cieślak-Golonka, Maria","Single crystal-to-single crystal transformations induced by ammonia‒water equilibrium changes","CrystEngComm","2018","20","21","2907","","10.1039/C8CE00401C","","","0.71073","MoKα","","0.0653","0.0559","","","0.1394","0.1507","","","","","","1.114","","","","has coordinates","229110","2020-10-21","18:00:00",""
"7230566","5.72409","0.00005","7.91013","0.00008","5.45235","0.00006","90","","90","","90","","246.873","0.004","302","2","302","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Dy O6 Sc2 Tb -","- Dy O6 Sc2 Tb -","- Dy2 O12 Sc4 Tb2 -","2","0.25","","Guguschev, C.; Hidde, J.; Gesing, T. M.; Gogolin, M.; Klimm, D.","Czochralski growth and characterization of TbxGd1−xScO3 and TbxDy1−xScO3 solid-solution single crystals","CrystEngComm","2018","20","20","2868","","10.1039/C8CE00335A","","","0.71073","MoKα","","0.0182","0.0167","","","0.0393","0.0397","","","","","","1.373","","","","has coordinates","229042","2020-10-21","18:00:00",""
"7230567","9.643","0.002","9.643","0.002","32.282","0.008","90","","90","","120","","2599.7","1","293","2","293","2","","","","","","","","6","P 65","P 65","170","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C102 H78 Br12 N6 O12 S6 -","6","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.061","0.0437","","","0.107","0.1174","","","","","","1.036","","","","has coordinates,has disorder","229109","2020-10-21","18:00:00",""
"7230568","9.071","0.003","8.725","0.003","11.441","0.004","90","","112.448","0.004","90","","836.9","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","rac-1-benzyl-3-bromo-4-[(4-bromophenyl)sulfanyl]-5-hydroxy-1,5-dihydro-2H-pyrrol-2-one","","- C17 H13 Br2 N O2 S -","- C17 H13 Br2 N O2 S -","- C34 H26 Br4 N2 O4 S2 -","2","1","","Lodochnikova, Olga A.; Zaripova, Aigul R.; Fayzullin, Robert R.; Samigullina, Aida I.; Vandyukova, Irina I.; Potapova, Lubov N.; Kurbangalieva, Almira R.","“Doubly enantiophobic” behavior during crystallization of racemic 1,5-dihydro-2H-pyrrol-2-one thioether","CrystEngComm","2018","20","23","3218","","10.1039/C8CE00369F","","x-ray","0.71073","MoKα","","0.0531","0.0455","","","0.1178","0.1224","","","","","","1.075","","","","has coordinates","229109","2020-10-21","18:00:00",""
"7230569","7.5437","0.0003","44.0092","0.0018","9.3422","0.0004","90","","91.326","0.0016","90","","3100.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H53 Br3 Cu N2 O2 -","- C24 H53 Br3 Cu N2 O2 -","- C96 H212 Br12 Cu4 N8 O8 -","4","1","","Zhiltsova, Elena P.; Pashirova, Tatiana N.; Ibatullina, Marina R.; Lukashenko, Svetlana S.; Gubaidullin, Aidar T.; Islamov, Daut R.; Kataeva, Olga N.; Kutyreva, Marianna P.; Zakharova, Lucia Y.","A new surfactant-copper(ii) complex based on 1,4-diazabicyclo[2.2.2]octane amphiphile. Crystal structure determination, self-assembly and functional activity.","Physical chemistry chemical physics : PCCP","2018","20","18","12688","12699","10.1039/c8cp01954a","","x-ray","0.71073","MoKα","","0.1028","0.0865","","","0.2429","0.2542","","","","","","1.169","","","","has coordinates","230937","2020-10-21","18:00:00",""
"7230570","7.8851","0.0012","11.2622","0.0016","13.1273","0.0019","90","","90","","90","","1165.8","0.3","205","","205","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F N5 O4 -","- C10 H12 F N5 O4 -","- C40 H48 F4 N20 O16 -","4","1","","Feng, Hui; Du, Yuqi; Tang, Fan; Ji, Ning; Zhao, Xuefeng; Zhao, Hang; Chen, Qianming","Silver ions blocking crystallization of guanosine-based hydrogel for potential antimicrobial applications","RSC Advances","2018","8","28","15842","","10.1039/C8RA02500B","","","0.71073","MoKα","","0.0607","0.0456","","","0.1002","0.1093","","","","","","1.008","","","","has coordinates","207505","2020-10-21","18:00:00",""
"7230571","16.254","0.001","5.0706","0.0003","12.3045","0.0007","90","","92.216","0.002","90","","1013.35","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","1","","Wu, Yue; Zhang, Bingbing; Zheng, Yinying; Wang, Yuheng; Lei, Xinsheng","Cs2CO3-promoted defluorination and functionalization of α-CF3 carbonyl compounds in the presence of N-, O-, and/or S-nucleophiles","RSC Advances","2018","8","29","16019","","10.1039/C8RA02353K","","","0.71073","MoKα","","0.0274","0.0259","","","0.0664","0.0678","","","","","","1.069","","","","has coordinates","207526","2020-10-21","18:00:00",""
"7230572","15.9888","0.0003","10.0556","0.0002","23.151","0.0006","90","","98.775","0.002","90","","3678.58","0.14","130","2","129.6","0.8","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H36 Cd N6 O7 -","- C30 H36 Cd N6 O7 -","- C120 H144 Cd4 N24 O28 -","4","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0734","0.059","","","0.1426","0.152","","","","","","1.089","","","","has coordinates,has disorder","229043","2020-10-21","18:00:00",""
"7230573","10.215","0.0002","11.9013","0.0002","12.6419","0.0002","80.608","0.001","84.697","0.001","80.66","0.001","1492.76","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Cd N5 O9 -","- C27 H33 Cd N5 O9 -","- C54 H66 Cd2 N10 O18 -","2","1","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","","0.71073","MoKα","","0.027","0.0264","","","0.0695","0.0699","","","","","","1.075","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230574","9.3264","0.0002","10.388","0.0002","12.3659","0.0002","104.506","0.002","94.778","0.002","102.756","0.002","1118.97","0.04","130","2","130.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","- C46 H28 Cd2 N9 O12 -","1","0.5","","Roztocki, Kornel; Lupa, Magdalena; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz","Bulky substituent and solvent-induced alternative nodes for layered Cd‒isophthalate/acylhydrazone frameworks","CrystEngComm","2018","20","20","2841","","10.1039/C8CE00269J","","x-ray","0.71073","MoKα","","0.0425","0.0346","","","0.084","0.0894","","","","","","1.094","","","","has coordinates","229043","2020-10-21","18:00:00",""
"7230575","7.542","0.0012","8.9322","0.0012","17.705","0.003","87.812","0.007","88.701","0.008","87.216","0.007","1190.2","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Br Mo N5 O4 -","- C20 H24 Br Mo N5 O4 -","- C40 H48 Br2 Mo2 N10 O8 -","2","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0313","0.0241","","","0.0529","0.0555","","","","","","1.052","","","","has coordinates","207600","2020-10-21","18:00:00",""
"7230576","7.406","0.0006","9.7868","0.0007","15.3808","0.0012","90","","97.385","0.004","90","","1105.57","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H24 Br Mo N5 O3 -","- C19 H24 Br Mo N5 O3 -","- C38 H48 Br2 Mo2 N10 O6 -","2","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0578","0.0415","","","0.0825","0.0889","","","","","","1.041","","","","has coordinates,has disorder","207600","2020-10-21","18:00:00",""
"7230577","9.0727","0.0004","7.6409","0.0003","22.0574","0.001","90","","94.711","0.002","90","","1523.93","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Br N4 -","- C14 H21 Br N4 -","- C56 H84 Br4 N16 -","4","1","","Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn","Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation","RSC Advances","2018","8","29","16294","","10.1039/C8RA01687A","","","0.71073","MoKα","","0.0386","0.0232","","","0.0511","0.0564","","","","","","1.023","","","","has coordinates","207600","2020-10-21","18:00:00",""
"7230578","5.8802","0.0004","25.3608","0.0019","8.2156","0.0006","90","","109.663","0.002","90","","1153.72","0.14","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Yang, Da; Liu, Huan; Wang, Dong-Liang; Luo, Zhoujie; Lu, Yong; Xia, Fei; Liu, Ye","Co-catalysis over a bi-functional ligand-based Pd-catalyst for tandem bis-alkoxycarbonylation of terminal alkynes","Green Chemistry","2018","20","11","2588","","10.1039/C8GC00754C","","","0.71073","MoKα","","0.0629","0.0514","","","0.1301","0.1389","","","","","","1.048","","","","has coordinates","230123","2020-10-21","18:00:00",""
"7230579","39.2679","0.0014","39.2679","0.0014","16.5666","0.0007","90","","90","","120","","22122.8","1.5","100","2","100","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","NU1000","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Islamoglu, Timur; Otake, Ken-ichi; Li, Peng; Buru, Cassandra T.; Peters, Aaron W.; Akpinar, Isil; Garibay, Sergio J.; Farha, Omar K.","Revisiting the structural homogeneity of NU-1000, a Zr-based metal‒organic framework","CrystEngComm","2018","20","39","5913","","10.1039/C8CE00455B","","","1.54178","CuKα","","0.0722","0.0616","","","0.1614","0.1715","","","","","","1.033","","","","has coordinates","228980","2020-10-21","18:00:00",""
"7230580","22.7947","0.0013","7.8451","0.0004","37.255","0.002","90","","90","","90","","6662.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-acetyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione","","- C20 H15 F N2 O3 -","- C20 H15 F N2 O3 -","- C320 H240 F16 N32 O48 -","16","2","","Simijonović, Dušica; Petrović, Zorica D.; Milovanović, Vesna M.; Petrović, Vladimir P.; Bogdanović, Goran A.","A new efficient domino approach for the synthesis of pyrazolyl-phthalazine-diones. Antiradical activity of novel phenolic products","RSC Advances","2018","8","30","16663","","10.1039/C8RA02702A","","x-ray","0.71073","MoKα","","0.1427","0.0615","","","0.1176","0.1465","","","","","","1.03","","","","has coordinates","207663","2020-10-21","18:00:00",""
"7230581","29.72","0.04","5.675","0.007","7.425","0.009","90","","95.29","0.02","90","","1247","3","293.15","","293.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H0 Br N O -","- C15 H12 Br N O -","- C60 H48 Br4 N4 O4 -","4","1","","Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","Iron(iii)-catalyzed selective N‒O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones","Green Chemistry","2018","20","12","2722","","10.1039/C8GC00630J","","","0.71073","MoKα","","0.0988","0.0727","","","0.1964","0.2171","","","","","","1.055","","","","has coordinates","230125","2020-10-21","18:00:00",""
"7230582","8.585","0.0015","9.869","0.0017","10.0994","0.0017","91.079","0.003","103.819","0.003","90.728","0.003","830.6","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 F3 N -","- C20 H16 F3 N -","- C40 H32 F6 N2 -","2","1","","Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","Iron(iii)-catalyzed selective N‒O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones","Green Chemistry","2018","20","12","2722","","10.1039/C8GC00630J","","","0.71073","MoKα","","0.1308","0.1156","","","0.3948","0.4283","","","","","","1.928","","","","has coordinates","230125","2020-10-21","18:00:00",""
"7230583","9.5324","0.0009","14.9752","0.0014","16.6507","0.0015","90","","90","","90","","2376.9","0.4","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal.","Physical chemistry chemical physics : PCCP","2018","20","19","13249","13254","10.1039/c8cp02096e","","","0.71073","MoKα","","0.1481","0.0619","","","0.1094","0.1381","","","","","","1.013","","","","has coordinates,has disorder","230925","2020-10-21","18:00:00",""
"7230584","8.151","0.007","14.06","0.012","16.644","0.013","97.54","0.03","93.66","0.03","102.91","0.03","1835","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C82 H76 B2 Br2 N4 S2 -","2","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1066","0.0511","","","0.1092","0.1298","","","","","","1.018","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230585","10.5728","0.0002","13.7128","0.0003","13.8757","0.0003","90","","108.542","0.001","90","","1907.31","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 S -","- C23 H17 Br N2 S -","- C92 H68 Br4 N8 S4 -","4","1","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.0913","0.0505","","","0.1025","0.1335","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230586","9.6323","0.0007","13.5037","0.0011","52.648","0.004","90","","93.701","0.002","90","","6833.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 B Br N2 S -","- C41 H38 B Br N2 S -","- C328 H304 B8 Br8 N16 S8 -","8","2","","Arivazhagan, C.; Malakar, Partha; Jagan, R.; Prasad, Edamana; Ghosh, Sundargopal","Dimesitylboryl-functionalised cyanostilbene derivatives of phenothiazine: distinctive polymorphism-dependent emission and mechanofluorochromism","CrystEngComm","2018","20","23","3162","","10.1039/C8CE00250A","","","0.71073","MoKα","","0.1186","0.0774","","","0.1302","0.1415","","","","","","1.132","","","","has coordinates","229106","2020-10-21","18:00:00",""
"7230587","11.4729","0.0005","14.603","0.0003","14.7655","0.0005","90","","91.92","0.003","90","","2472.4","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-hydroxybenzoic acid 4-hydroxybenzoate","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.6889","synchrotron","","0.0697","0.0436","","","0.0968","0.1093","","","","","","1.04","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230588","21.6378","0.0004","9.1765","0.0001","18.3236","0.0003","90","","112.447","0.002","90","","3362.66","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 4-cyanobenzoate 4-cyanobenzoic acid","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0487","0.0418","","","0.1117","0.1186","","","","","","1.019","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230589","9.8631","0.0004","21.3774","0.0009","12.5572","0.0005","90","","110.968","0.002","90","","2472.33","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-aminobenzoic acid 3-aminobenzoate","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C112 H128 N16 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0609","0.0445","","","0.1114","0.1215","","","","","","1.032","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230590","7.4488","0.0003","16.1665","0.0007","16.8622","0.0008","90","","99.229","0.002","90","","2004.28","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 5-nitro-3-benzoate benzoic acid","","- C22 H23 N3 O6 -","- C22 H23 N3 O6 -","- C88 H92 N12 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0636","0.0455","","","0.1134","0.1232","","","","","","1.024","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230591","10.332","0.0004","18.3951","0.0007","10.3744","0.0004","90","","103.652","0.002","90","","1916.03","0.13","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAN 2-nitrobenzoate","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0713","0.0481","","","0.1147","0.1266","","","","","","1.026","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230592","13.3902","0.0006","17.4977","0.0007","19.3081","0.0009","85.639","0.004","70.634","0.004","69.986","0.004","4006.6","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","DMAN 4-amino benzoic acid 4-aminobenzoate hydrate","","- C84 H104 N12 O16 -","- C84 H104 N12 O16 -","- C168 H208 N24 O32 -","2","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.71073","MoKα","","0.1953","0.0793","","","0.159","0.2161","","","","","","0.984","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230593","11.2829","0.0004","12.5029","0.0005","23.4257","0.001","90","","90.718","0.002","90","","3304.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 2-cyanobenzoic acid 2-cyanobenzoate","","- C38 H33 N5 O6 -","- C38 H33 N5 O6 -","- C152 H132 N20 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0942","0.0474","","","0.0952","0.112","","","","","","1.006","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230594","14.6269","0.0004","18.1672","0.0005","20.9527","0.0006","93.416","0.002","104.461","0.003","107.5","0.003","5086.9","0.3","150","0.14","150","0.14","","","","","","","","4","P -1","-P 1","2","","DMAN 4-nitrobenzoic acid 4-nitrobenzoate","","- C35 H33 N5 O12 -","- C35 H33 N5 O12 -","- C210 H198 N30 O72 -","6","3","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","x-ray","1.54184","CuKα","","0.0524","0.0396","","","0.0997","0.1083","","","","","","1.021","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230595","9.8917","0.0004","23.8954","0.0009","12.0958","0.0005","90","","112.04","0.002","90","","2650.1","0.19","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DMAN 3-methoxy benzoic acid 3-methoxybenzoate","","- C30 H34 N2 O6 -","- C30 H34 N2 O6 -","- C120 H136 N8 O24 -","4","1","","Saunders, Lucy K.; Nowell, Harriott; Spencer, Helen C. E.; Hatcher, Lauren E.; Shepherd, Helena J.; Thomas, Lynne H.; Jones, Charlotte L.; Teat, Simon J.; Raithby, Paul R.; Wilson, Chick C.","Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution","CrystEngComm","2018","20","22","3074","","10.1039/C8CE00443A","","","0.8856","synchrotron","","0.0803","0.045","","","0.09","0.1022","","","","","","1.025","","","","has coordinates","228899","2020-10-21","18:00:00",""
"7230596","9.6276","0.0008","10.1883","0.0008","11.0539","0.0009","90.533","0.001","100.803","0.001","105.94","0.001","1021.97","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N3 O7 S -","- C18 H20 Cl N3 O7 S -","- C36 H40 Cl2 N6 O14 S2 -","2","1","","Surov, Artem O.; Churakov, Andrei V.; Proshin, Alexey N.; Dai, Xia-Lin; Lu, Tongbu; Perlovich, German L.","Cocrystals of a 1,2,4-thiadiazole-based potent neuroprotector with gallic acid: solubility, thermodynamic stability relationships and formation pathways.","Physical chemistry chemical physics : PCCP","2018","20","21","14469","14481","10.1039/c8cp02532k","","","0.71073","MoKα","","0.0474","0.0447","","","0.1083","0.1097","","","","","","1.182","","","","has coordinates,has disorder","230939","2020-10-21","18:00:00",""
"7230597","12.29074","0.00014","6.54998","0.00008","21.8593","0.0003","90","","106.299","0.0005","90","","1689.04","0.04","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Ashok, Dongamanti; Chiranjeevi, Pamula; Kumar, Aamate Vikas; Sarasija, Madderla; Krishna, Vagolu Siva; Sriram, Dharmarajan; Balasubramanian, Sridhar","1,2,3-Triazole-fused spirochromenes as potential anti-tubercular agents: synthesis and biological evaluation","RSC Advances","2018","8","30","16997","","10.1039/C8RA03197E","","","0.71073","MoKα","","0.0735","0.0543","","","0.1362","0.1471","","","","","","1.043","","","","has coordinates","207715","2020-10-21","18:00:00",""
"7230598","6.885","0.003","7.108","0.003","11.23","0.004","74.336","0.004","76.662","0.004","73.802","0.004","500.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","Hydroxy thiosemicarbazide derivative","","- C9 H11 N3 O S -","- C9 H11 N3 O S -","- C18 H22 N6 O2 S2 -","2","1","","Mahendiran, Dharmasivam; Amuthakala, Sethu; Bhuvanesh, Nattamai S. P.; Kumar, Raju Senthil; Rahiman, Aziz Kalilur","Copper complexes as prospective anticancer agents: in vitro and in vivo evaluation, selective targeting of cancer cells by DNA damage and S phase arrest","RSC Advances","2018","8","30","16973","","10.1039/C8RA00954F","","","0.71073","MoKα","","0.0439","0.0382","","","0.0998","0.1042","","","","","","1.049","","","","has coordinates","207716","2020-10-21","18:00:00",""
"7230599","9.3598","0.0013","14.568","0.002","29.931","0.004","97.237","0.005","93.441","0.005","94.101","0.005","4028.5","1","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H34 Cl2 F3 N O3 P2 Pt S -","- C43 H34 Cl2 F3 N O3 P2 Pt S -","- C172 H136 Cl8 F12 N4 O12 P8 Pt4 S4 -","4","2","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0425","0.0342","","","0.0728","0.0758","","","","","","1.058","","","","has coordinates,has disorder","207726","2020-10-21","18:00:00",""
"7230600","12.1407","0.0003","12.2755","0.0003","14.8967","0.0004","101.793","0.001","99.306","0.001","101.647","0.001","2080.25","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H36 F3 N O5 P2 Pt S -","- C48 H36 F3 N O5 P2 Pt S -","- C96 H72 F6 N2 O10 P4 Pt2 S2 -","2","1","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0292","0.0267","","","0.0693","0.0707","","","","","","1.044","","","","has coordinates,has disorder","207726","2020-10-21","18:00:00",""
"7230601","9.0795","0.0003","14.0701","0.0005","18.407","0.0006","106.253","0.001","99.79","0.001","102.284","0.001","2138.74","0.13","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H32 F3 N O3 P2 Pt S2 -","- C44 H32 F3 N O3 P2 Pt S2 -","- C88 H64 F6 N2 O6 P4 Pt2 S4 -","2","1","","Solomatina, Anastasia I.; Su, Shih-Hao; Lukina, Maria M.; Dudenkova, Varvara V.; Shcheslavskiy, Vladislav I.; Wu, Cheng-Ham; Chelushkin, Pavel S.; Chou, Pi-Tai; Koshevoy, Igor O.; Tunik, Sergey P.","Water-soluble cyclometalated platinum(ii) and iridium(iii) complexes: synthesis, tuning of the photophysical properties, and in vitro and in vivo phosphorescence lifetime imaging","RSC Advances","2018","8","31","17224","","10.1039/C8RA02742K","","","0.71073","MoKα","","0.0221","0.02","","","0.0495","0.0501","","","","","","1.06","","","","has coordinates","207726","2020-10-21","18:00:00",""
"7230602","12.82","0.0016","14.912","0.0016","15.115","0.0012","104.639","0.006","92.409","0.006","103.251","0.006","2706","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N2 O9 -","- C28 H28 Cu N2 O9 -","- C112 H112 Cu4 N8 O36 -","4","2","","de Medeiros, Wendy M. T. Q.; de Medeiros, Mayara J. C.; Carvalho, Edinilton M.; de Lima, Jailma A.; da S. Oliveira, Verônica; de B. Pontes, Ana C. F.; da Silva, Francisco O. N.; Ellena, Javier A.; de O. Rocha, Hugo A.; de Sousa, Eduardo H. S.; de L. Pontes, Daniel","A vanillin-based copper(ii) metal complex with a DNA-mediated apoptotic activity","RSC Advances","2018","8","30","16873","","10.1039/C8RA03626H","","x-ray","0.7107","MoKα","","0.1324","0.0566","","","0.1028","0.1129","","","","","","0.889","","","","has coordinates","207727","2020-10-21","18:00:00",""
"7230603","4.5576","0.0001","16.2048","0.0004","14.0456","0.0003","90","","95.241","0.002","90","","1033","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Dy N O7 -","- C8 H8 Dy N O7 -","- C32 H32 Dy4 N4 O28 -","4","1","","Yu, Qi; Dong, Hong; Zhang, Xin; Zhu, Ya-Xin; Wang, Jian-Hui; Zhang, Feng-Ming; Sun, Xiao-Jun","Novel stable metal‒organic framework photocatalyst for light-driven hydrogen production","CrystEngComm","2018","20","23","3228","","10.1039/C8CE00386F","","","0.71073","MoKα","","0.0276","0.0214","","","0.0447","0.0467","","","","","","1.035","","","","has coordinates","229102","2020-10-21","18:00:00",""
"7230604","14.3715","0.0011","14.3715","0.0011","19.721","0.002","90","","90","","90","","4073.2","0.6","296","2","296","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C10 H6 N20 O2 Zn3 -","- C10 H6 N20 O2 Zn3 -","- C80 H48 N160 O16 Zn24 -","8","0.5","","Liu, Chuanfang; Zhao, Nian; Zou, Xiaoqin; Zhu, Guangshan","Synthesis of an ultra-stable metal‒organic framework for proton conduction","CrystEngComm","2018","20","23","3158","","10.1039/C8CE00564H","","","0.71073","MoKα","","0.0465","0.0307","","","0.0772","0.0862","","","","","","0.908","","","","has coordinates","229108","2020-10-21","18:00:00",""
"7230605","4.8211","0.0014","9.065","0.003","12.47","0.004","74.963","0.006","88.26","0.006","89.779","0.006","526.1","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","1","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1169","0.0863","","","0.1747","0.1891","","","","","","1.199","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230606","7.646","0.002","12.279","0.004","11.421","0.004","90","","90.411","0.006","90","","1072.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N6 O8 -","- C22 H20 N6 O8 -","- C44 H40 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1136","0.0983","","","0.1818","0.1882","","","","","","1.342","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230607","6.573","0.003","7.531","0.004","17.511","0.008","87.416","0.009","88.657","0.009","75.143","0.009","836.9","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O4 -","- C18 H18 N4 O4 -","- C36 H36 N8 O8 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1547","0.0644","","","0.1229","0.1507","","","","","","0.917","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230608","12.528","0.009","6.992","0.005","13.266","0.008","90","","113.8","0.02","90","","1063.2","1.3","100","2","100.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0457","0.0409","","","0.1146","0.1197","","","","","","1.042","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230609","29.689","0.007","44.694","0.011","4.888","0.0012","90","","90","","90","","6486","3","298","2","298","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C17 H16 N4 O4 -","- C17 H16 N4 O4 -","- C272 H256 N64 O64 -","16","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0603","0.0557","","","0.1169","0.119","","","","","","1.2","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230610","6.988","0.004","17.855","0.01","11.428","0.006","90","","103.035","0.011","90","","1389.1","1.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O7 -","- C10 H16 N4 O7 -","- C40 H64 N16 O28 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1174","0.0537","","","0.1168","0.1409","","","","","","0.955","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230611","7.0875","0.0008","11.9657","0.0013","24.919","0.003","90","","90","","90","","2113.3","0.4","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C80 H80 N32 O32 -","8","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.0819","0.0809","","","0.1523","0.1528","","","","","","1.358","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230612","34.001","0.005","8.9797","0.0014","8.97","0.0014","90","","90","","90","","2738.7","0.7","298","2","298","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H26 N6 O10 -","- C23 H26 N6 O10 -","- C92 H104 N24 O40 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1143","0.0902","","","0.2626","0.2823","","","","","","1.07","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230613","8.705","0.002","10.392","0.003","10.914","0.003","65.633","0.004","76.026","0.005","70.452","0.004","841.3","0.4","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N6 O8 -","- C15 H14 N6 O8 -","- C30 H28 N12 O16 -","2","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1454","0.0795","","","0.1479","0.1734","","","","","","1.075","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230614","12.194","0.002","5.1402","0.001","17.488","0.003","90","","99.377","0.003","90","","1081.5","0.3","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C40 H40 N16 O16 -","4","1","","Kumar, Vineet; Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multicomponent solids of uracil derivatives ‒ orotic and isoorotic acids","CrystEngComm","2018","20","25","3490","","10.1039/C8CE00486B","","","0.71073","MoKα","","0.1667","0.0806","","","0.153","0.1825","","","","","","1.01","","","","has coordinates","229033","2020-10-21","18:00:00",""
"7230615","10.3869","0.0003","15.4759","0.0003","11.2824","0.0003","90","","105.723","0.003","90","","1745.75","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl N O2 S -","- C18 H24 Cl N O2 S -","- C72 H96 Cl4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0498","0.037","","","0.0845","0.0912","","","","","","1.044","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230616","11.0548","0.0008","6.4659","0.0004","21.654","0.0014","90","","102.382","0.002","90","","1511.81","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N O2 S -","- C16 H20 Br N O2 S -","- C64 H80 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0599","0.0368","","","0.0869","0.0968","","","","","","0.994","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230617","10.7288","0.0004","15.5406","0.0006","11.6218","0.0005","90","","106.454","0.001","90","","1858.37","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 F3 N O2 S -","- C19 H24 F3 N O2 S -","- C76 H96 F12 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0576","0.0473","","","0.1349","0.1436","","","","","","1.124","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230618","10.5834","0.0003","15.2084","0.0005","11.6137","0.0003","90","","107.101","0.001","90","","1786.66","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 O4 S -","- C18 H24 N2 O4 S -","- C72 H96 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0484","0.0394","","","0.1085","0.115","","","","","","1.018","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230619","29.081","0.002","6.8576","0.0006","19.1376","0.0016","90","","123.701","0.002","90","","3175.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F3 N O2 S -","- C17 H20 F3 N O2 S -","- C136 H160 F24 N8 O16 S8 -","8","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0852","0.0687","","","0.1774","0.1875","","","","","","1.277","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230620","10.5014","0.0003","15.4718","0.0004","11.3326","0.0003","90","","106.42","0.003","90","","1766.17","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Br N O2 S -","- C18 H24 Br N O2 S -","- C72 H96 Br4 N4 O8 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.0619","0.0366","","","0.0781","0.0876","","","","","","0.998","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230621","11.0672","0.0008","6.4621","0.0005","21.5494","0.0016","90","","103.132","0.002","90","","1500.85","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Voronin, Alexander P.; Volkova, Tatiana V.; Ilyukhin, Andrey B.; Trofimova, Tatiana P.; Perlovich, German L.","Structural and energetic aspects of adamantane and memantine derivatives of sulfonamide molecular crystals: experimental and theoretical characterisation","CrystEngComm","2018","20","25","3476","","10.1039/C8CE00426A","","","0.71073","MoKα","","0.063","0.0437","","","0.0984","0.1071","","","","","","1","","","","has coordinates","229037","2020-10-21","18:00:00",""
"7230622","9.8939","0.0014","18.898","0.003","16.637","0.002","90","","96.438","0.004","90","","3091.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0616","0.0465","","","0.1243","0.1391","","","","","","1.03","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230623","18.4213","0.0008","18.1732","0.0008","19.0497","0.0008","90","","90","","90","","6377.3","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C200 H192 F96 Mn8 N24 O40 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1044","0.074","","","0.2124","0.2461","","","","","","1.036","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230624","9.8814","0.0007","14.4685","0.0011","23.2516","0.0017","90","","100.481","0.002","90","","3268.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F12 Mn N3 O5 -","- C25 H24 F12 Mn N3 O5 -","- C100 H96 F48 Mn4 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0792","0.0618","","","0.1801","0.196","","","","","","1.052","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230625","16.6043","0.0006","26.0628","0.0011","10.8332","0.0005","90","","90","","90","","4688.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H46 F12 Mn N6 O6 -","- C40 H46 F12 Mn N6 O6 -","- C160 H184 F48 Mn4 N24 O24 -","4","0.5","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1058","0.0876","","","0.2445","0.265","","","","","","1.061","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230626","16.3979","0.0007","25.7808","0.0011","10.7851","0.0004","90","","90","","90","","4559.4","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cu0.5 F6 N3 O3 -","- C20 H23 Cu0.5 F6 N3 O3 -","- C160 H184 Cu4 F48 N24 O24 -","8","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.1091","0.0965","","","0.2659","0.2823","","","","","","1.034","","","","has coordinates,has disorder","229114","2020-10-21","18:00:00",""
"7230627","9.5751","0.0004","32.409","0.0013","10.9213","0.0005","90","","106.865","0.0013","90","","3243.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu F12 N3 O5 -","- C25 H24 Cu F12 N3 O5 -","- C100 H96 Cu4 F48 N12 O20 -","4","1","","Gao, Yan-Li; Nishihara, Sadafumi; Inoue, Katsuya","Synthesis, crystal structures and magnetic properties of six coordination compounds constructed with pyridine iminomethyl‒TEMPO radicals and [M(hfac)2] (M = CuII and MnII)","CrystEngComm","2018","20","21","2961","","10.1039/C8CE00061A","","","0.71073","MoKα","","0.0809","0.0527","","","0.1293","0.1416","","","","","","1.044","","","","has coordinates","229114","2020-10-21","18:00:00",""
"7230628","12.3537","0.0006","13.4244","0.001","13.8282","0.001","61.486","0.007","76.191","0.005","83.59","0.005","1956.9","0.3","173","1","173","1","","","","","","","","5","P -1","-P 1","2","TTF2_complex_block","TTF2_complex_block","","- C30 H16 F4 I5 S8 -","- C30 H16 F4 I5 S8 -","- C60 H32 F8 I10 S16 -","2","1","","Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng","A weaker donor shows higher oxidation state upon aggregation","RSC Advances","2018","8","31","17321","","10.1039/C8RA02956C","","","0.71073","MoKα","","0.0855","0.0517","","","0.106","0.1288","","","","","","1.026","","","","has coordinates","207752","2020-10-21","18:00:00",""
"7230629","24.2826","0.0012","10.2755","0.0008","17.1748","0.001","90","","96.201","0.005","90","","4260.3","0.5","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","TTF5 complex","TTF5 complex","","- C30 H16 F4 I7 S8 -","- C30 H16 F4 I7 S8 -","- C120 H64 F16 I28 S32 -","4","0.5","","Ma, Longfei; Peng, Haili; Lu, Xiaofeng; Liu, Lei; Shao, Xiangfeng","A weaker donor shows higher oxidation state upon aggregation","RSC Advances","2018","8","31","17321","","10.1039/C8RA02956C","","","0.71073","MoKα","","0.1314","0.0911","","","0.1612","0.1763","","","","","","1.181","","","","has coordinates,has disorder","207752","2020-10-21","18:00:00",""
"7230630","6.5213","0.0002","5.3508","0.0001","8.8186","0.0002","90","","106.896","0.001","90","","294.435","0.013","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 F4 O2 -","- C6 F4 O2 -","- C12 F8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0434","0.0283","","","0.0634","0.069","","","","","","1.273","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230631","8.5371","0.0007","5.6623","0.0004","8.6712","0.0007","90","","105.946","0.004","90","","403.03","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 Cl4 O2 -","- C6 Cl4 O2 -","- C12 Cl8 O4 -","2","0.5","","Shukla, Rahul; Chopra, Deepak","Characterization of the short OC⋯OC π-hole tetrel bond in the solid state","CrystEngComm","2018","20","24","3308","","10.1039/C8CE00697K","","","0.71073","MoKα","","0.0382","0.034","","","0.0891","0.0919","","","","","","1.057","","","","has coordinates","228891","2020-10-21","18:00:00",""
"7230632","6.7785","0.0002","9.8025","0.0003","25.4462","0.0007","90","","94.7017","0.0018","90","","1685.11","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3PiNHPl","3PiNHPl","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji","Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.","Physical chemistry chemical physics : PCCP","2018","20","23","16033","16044","10.1039/c8cp01999a","","","1.54186","CuKα","","0.0404","0.0357","","","0.0971","0.1001","","","","","","1.125","","","","has coordinates","230938","2020-10-21","18:00:00",""
"7230633","5.1353","0.0002","10.3387","0.0004","29.0552","0.0012","90","","92.523","0.003","90","","1541.11","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4PyrNHPI","4PyrNHPI","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji","Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.","Physical chemistry chemical physics : PCCP","2018","20","23","16033","16044","10.1039/c8cp01999a","","","1.54186","CuKα","","0.0504","0.0396","","","0.0862","0.0906","","","","","","0.961","","","","has coordinates","230938","2020-10-21","18:00:00",""
"7230634","5.26649","0.00014","10.6373","0.0003","15.2944","0.0005","72.6185","0.0017","89.9112","0.0017","83.0728","0.0016","811.18","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4PiNHPI","4PiNHPI","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","1","","Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji","Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.","Physical chemistry chemical physics : PCCP","2018","20","23","16033","16044","10.1039/c8cp01999a","","","1.54186","CuKα","","0.0677","0.053","","","0.1298","0.1497","","","","","","0.968","","","","has coordinates","230938","2020-10-21","18:00:00",""
"7230635","10.7455","0.0009","26.6113","0.0017","10.8489","0.0007","90","","99.08","0.004","90","","3063.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3PryNHPI","3PryNHPI","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C144 H176 N16 O16 -","8","2","","Orita, Ryoji; Franckevičius, Marius; Vyšniauskas, Aurimas; Gulbinas, Vidmantas; Sugiyama, Haruki; Uekusa, Hidehiro; Kanosue, Kenta; Ishige, Ryohei; Ando, Shinji","Enhanced fluorescence of phthalimide compounds induced by the incorporation of electron-donating alicyclic amino groups.","Physical chemistry chemical physics : PCCP","2018","20","23","16033","16044","10.1039/c8cp01999a","","","1.54186","CuKα","","0.0917","0.0489","","","0.0944","0.1187","","","","","","0.833","","","","has coordinates","230938","2020-10-21","18:00:00",""
"7230636","16.7852","0.0019","11.343","0.0013","15.3991","0.0018","90","","90","","90","","2931.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N6 O43 Tb4 -","- C48 H32 N6 O43 Tb4 -","- C96 H64 N12 O86 Tb8 -","2","0.25","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0304","0.0273","","","0.0717","0.0736","","","","","","1.055","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230637","11.98","0.0005","14.578","0.0006","15.2371","0.0006","90","","105.531","0.001","90","","2563.91","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N4 O13 Tb -","- C26 H17 N4 O13 Tb -","- C104 H68 N16 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0374","0.0266","","","0.0577","0.0605","","","","","","1.077","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230638","11.7024","0.0008","14.5744","0.0009","15.8996","0.0011","90","","105.519","0.002","90","","2612.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N4 O13 Tb -","- C26 H17 N4 O13 Tb -","- C104 H68 N16 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0234","0.0205","","","0.0553","0.0565","","","","","","1.031","","","","has coordinates","207771","2020-10-21","18:00:00",""
"7230639","15.308","0.003","15.9","0.003","11.58","0.002","90","","118.12","0.03","90","","2485.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H15 N3 O13 Tb -","- C24 H15 N3 O13 Tb -","- C96 H60 N12 O52 Tb4 -","4","1","","Ren, Yi-Xia; Zhao, Xiao-Long; Wang, Zhi-Xiang; Pan, Yong; Li, Hui-Ping; Wang, Fei-Yan; Zhu, Shao-Feng; Shao, Chen-Hui","Effects of template molecules on the structures and luminescence intensities of a series of porous Tb-MOFs based on the 2-nitroterephthalate ligand","RSC Advances","2018","8","31","17497","","10.1039/C8RA01224E","","","0.71073","MoKα","","0.0571","0.0382","","","0.1459","0.1622","","","","","","0.994","","","","has coordinates,has disorder","207771","2020-10-21","18:00:00",""
"7230640","12.8955","0.0003","19.5738","0.0005","13.0841","0.0003","90","","101.983","0.0011","90","","3230.64","0.13","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 N O2 -","- C44 H35 N O2 -","- C176 H140 N4 O8 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0443","0.04","","","0.0988","0.1023","","","","","","1.026","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230641","29.189","0.0006","29.189","0.0006","23.3065","0.0005","90","","90","","120","","17196.7","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47.4 H45 N O2.6 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0856","0.0536","","","0.1349","0.1569","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230642","29.3589","0.0006","29.3589","0.0006","23.3712","0.0005","90","","90","","120","","17445.8","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C47 H44 N O2.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0495","0.041","","","0.1049","0.1116","","","","","","1.057","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230643","29.1831","0.0006","29.1831","0.0006","23.3144","0.0005","90","","90","","120","","17195.6","0.6","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C43 H34 N O1.5 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0566","0.0487","","","0.136","0.1465","","","","","","1.052","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230644","29.2539","0.0011","29.2539","0.0011","23.3293","0.0009","90","","90","","120","","17290.2","1.1","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H40.2 N O3.8 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0518","0.0397","","","0.106","0.1164","","","","","","1.037","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230645","17.319","0.0005","19.9637","0.0007","21.9686","0.0008","100.294","0.0018","91.2541","0.0016","115.382","0.0015","6710.4","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.62 H32.12 Cl1.88 N O2.25 -","- C41.625 H32.125 Cl1.875 N O2.25 -","- C333 H257 Cl15 N8 O18 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0944","0.0725","","","0.1867","0.2039","","","","","","1.025","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230646","25.6756","0.0007","19.1467","0.0005","16.3667","0.0004","90","","107.328","0.002","90","","7680.8","0.4","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 N O5 -","- C49 H45 N O5 -","- C392 H360 N8 O40 -","8","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0728","0.0466","","","0.1067","0.1217","","","","","","1.031","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230647","16.9431","0.0004","20.0249","0.0004","23.9395","0.0005","101.674","0.002","105.876","0.002","118.124","0.005","6342.9","0.5","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H33 N O3 -","- C41 H29 N O3 -","- C328 H232 N8 O24 -","8","4","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.1706","0.0864","","","0.1968","0.242","","","","","","1.023","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230648","12.5928","0.0004","18.407","0.0006","15.0348","0.0005","90","","91.3592","0.0014","90","","3484","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H34 Cl N O -","- C47 H34 Cl N O -","- C188 H136 Cl4 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0482","0.0424","","","0.1044","0.1094","","","","","","1.054","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230649","12.3371","0.0004","11.2929","0.0004","24.658","0.0007","90","","102.265","0.002","90","","3356.98","0.19","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 N O4 -","- C44 H38 N O4 -","- C176 H152 N4 O16 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0662","0.0479","","","0.1116","0.1227","","","","","","1.037","","","","has coordinates,has disorder","229113","2020-10-21","18:00:00",""
"7230650","29.2009","0.0005","29.2009","0.0005","23.3366","0.0004","90","","90","","120","","17233","0.5","180","2","180","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C46.6 H43 N O2.4 -","- C41 H29 N O -","- C738 H522 N18 O18 -","18","0.5","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0569","0.0398","","","0.1036","0.1154","","","","","","1.036","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230651","12.3591","0.0003","18.2217","0.0005","15.0443","0.0004","90","","91.6057","0.0011","90","","3386.7","0.15","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H39 N O2 -","- C41 H29 N O -","- C164 H116 N4 O4 -","4","1","","Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.","Solvatomorphism of Reichardt's dye","CrystEngComm","2018","20","21","2912","","10.1039/C8CE00480C","","","1.54178","CuKα","","0.0418","0.0387","","","0.1108","0.1139","","","","","","1.079","","","","has coordinates","229113","2020-10-21","18:00:00",""
"7230652","23.5606","0.00019","23.5606","0.00019","6.92267","0.00008","90","","90","","90","","3842.79","0.06","123","2","123","2","","","","","","","","5","P 42/n","-P 4bc","86","","","","- C18 H16 I K N6 -","- C18 H16 I K N6 -","- C144 H128 I8 K8 N48 -","8","","","Bulatova, Margarita; Tatikonda, Rajendhraprasad; Hirva, Pipsa; Bulatov, Evgeny; Sievänen, Elina; Haukka, Matti","Controlling the crystal growth of potassium iodide with 1,1´-bis(pyridin-4-ylmethyl)-2,2´-biimidazole ligand (L) - formation of linear [K4I4L4]n polymer with cubic [K4I4] core units","CrystEngComm","2018","","","","","10.1039/C8CE00483H","","","1.54184","CuKα","","0.0288","0.0262","","","0.067","0.0695","","","","","","1.059","","","","has coordinates","207810","2020-10-21","18:00:00",""
"7230653","13.501","0.003","11.13","0.002","34.928","0.007","90","","90","","90","","5248.5","1.8","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C42 H34 Cd3 N3 O23 P3 -","- C42 H34 Cd3 N3 O23 P3 -","- C168 H136 Cd12 N12 O92 P12 -","4","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","0.71073","MoKα","","0.0779","0.0723","","","0.1917","0.197","","","","","","1.042","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230654","12.9528","0.0007","13.5426","0.0007","16.4426","0.0008","108.031","0.004","91.067","0.004","113.829","0.005","2474.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd2 N27 O9 P3 -","- C42 H32 Cd2 N27 O9 P3 -","- C84 H64 Cd4 N54 O18 P6 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","","1.54178","CuKα","","0.0654","0.0596","","","0.1683","0.176","","","","","","1.055","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230655","14.0264","0.0004","14.5761","0.0004","23.3971","0.0007","77.744","0.003","80.417","0.002","89.739","0.002","4606.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H64 Cd4 N6 O44 P6 -","- C84 H64 Cd4 N6 O44 P6 -","- C168 H128 Cd8 N12 O88 P12 -","2","1","","Chen, Xi; Dong, Hong-Xia; Peng, Hua-Nan; Hong, Li-Ming; Luo, Dan; Zhuang, Gui-Lin; Ye, Qing","Three Cd(ii) coordination polymers constructed from a series of multidentate ligands derived from cyclotriphosphazene: synthesis, structures and luminescence properties","CrystEngComm","2018","20","25","3535","","10.1039/C8CE00537K","","x-ray","0.71073","MoKα","","0.0661","0.0447","","","0.1016","0.1176","","","","","","1.086","","","","has coordinates","229036","2020-10-21","18:00:00",""
"7230656","41.74","0.004","41.74","0.004","9.9584","0.0014","90","","90","","120","","15025","3","203","","203","2","","","","","","","","5","R -3","-R 3","148","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C288 H234 N18 O72 Zn18 -","18","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0419","0.0411","","","0.1282","0.1292","","","","","","1.098","","","","has coordinates","207823","2020-10-21","18:00:00",""
"7230657","42.4897","0.0008","42.4897","0.0008","10.4","0.0004","90","","90","","120","","16260.4","0.8","203","2","203","","","","","","","","","5","R -3","-R 3","148","","","","- C48 H39 N3 O12 Zn3 -","- C48 H39 N3 O12 Zn3 -","- C432 H351 N27 O108 Zn27 -","9","","","Huang, Ning-Yu; Mo, Zong-Wen; Li, Lu-Jian; Xu, Wei-Jian; Zhou, Hao-Long; Zhou, Dong-Dong; Liao, Pei-Qin; Zhang, Jie-Peng; Chen, Xiao-Ming","Direct synthesis of an aliphatic amine functionalized metal-organic framework for efficient CO2 removal and CH4 purification","CrystEngComm","2018","","","","","10.1039/C8CE00574E","","","1.54178","CuKα","","0.0708","0.0608","","","0.203","0.214","","","","","","1.09","","","","has coordinates,has disorder","207823","2020-10-21","18:00:00",""
"7230658","13.743","0.003","14.342","0.003","19.671","0.004","83.758","0.004","74.388","0.003","80.079","0.004","3670.4","1.3","195","2","195","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 Eu2 N5 O23 S6 -","- C50 H62 Eu2 N4 O16 S6 -","- C100 H124 Eu4 N8 O32 S12 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0709","0.044","","","0.1084","0.1197","","","","","","0.935","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230659","13.771","0.003","14.495","0.003","19.74","0.004","84.67","0.03","73.52","0.03","81.47","0.03","3731.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H85 N5 O23 S6 Tb2 -","- C50 H60 N4 O16 S6 Tb2 -","- C100 H120 N8 O32 S12 Tb4 -","2","1","","Dou, Ai-Na; Yang, Li-Bo; Fang, Xiao-Dan; Yin, Qi; Li, Mao-Dong; Li, Ju; Wang, Mei-Yan; Zhu, Ai-Xin; Xu, Quan-Qing","Two luminescent lanthanide‒organic frameworks containing bithiophene groups for the selective detection of nitrobenzene and Fe3+","CrystEngComm","2018","20","25","3609","","10.1039/C8CE00530C","","","0.71073","MoKα","","0.0461","0.0328","","","0.0872","0.0955","","","","","","1.026","","","","has coordinates,has disorder","229034","2020-10-21","18:00:00",""
"7230660","5.6272","0.0017","8.095","0.003","9.638","0.003","90","","106.656","0.004","90","","420.6","0.2","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1044","0.0925","","","0.2301","0.246","","","","","","1.103","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230661","5.6186","0.0011","8.0802","0.0016","9.6186","0.0018","90","","106.636","0.002","90","","418.4","0.14","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C16 H24 O8 -","2","0.5","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Controllability of coercive stress in organoferroelasticity by the incorporation of a bulky flipping moiety in molecular crystals","CrystEngComm","2018","20","27","3807","","10.1039/C8CE00295A","","","0.71073","MoKα","","0.1098","0.0986","","","0.2177","0.2316","","","","","","1.101","","","","has coordinates","228913","2020-10-21","18:00:00",""
"7230662","8.383","0.0001","9.592","0.0001","40.137","0.0007","90","","90","","90","","3227.41","0.08","298","2","298","2","","","","","","","Ziziphus cambodiana","4","P 21 21 21","P 2ac 2ab","19","Cambodine E","","","- C37 H38 N4 O5 -","- C37 H38 N4 O5 -","- C148 H152 N16 O20 -","4","1","","Lomchoey, Natthakaln; Panseeta, Panomwan; Boonsri, Pornthip; Apiratikul, Nuttapon; Prabpai, Samran; Kongsaeree, Palangpon; Suksamrarn, Sunit","New bioactive cyclopeptide alkaloids with rare terminal unit from the root bark of Ziziphus cambodiana","RSC Advances","2018","8","33","18204","","10.1039/C7RA13050C","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.086","0.0893","","","","","","1.0416","","","","has coordinates","207831","2020-10-21","18:00:00",""
"7230663","5.7993","0.0005","25.037","0.003","10.15","0.0011","90","","100.329","0.011","90","","1449.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","11-(4-fluorophenyl)-8,9,13,14-tetraoxa-11-azaspiro[6.7]tetradecane","","- C15 H20 F N O4 -","- C15 H20 F N O4 -","- C60 H80 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0471","0.0375","","","0.0971","0.1053","","","","","","1.019","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230664","12.617","0.001","6.6369","0.0005","19.145","0.0017","90","","90","","90","","1603.2","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0605","0.0419","","","0.1096","0.1275","","","","","","0.806","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230665","12.4037","0.001","14.553","0.0017","9.9903","0.0008","90","","103.023","0.008","90","","1757","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1237","0.0766","","","0.1906","0.2253","","","","","","1.144","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230666","20.1905","0.0016","6.6712","0.0004","12.9057","0.0009","90","","106.432","0.008","90","","1667.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1267","0.0971","","","0.242","0.264","","","","","","1.036","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7230667","12.8989","0.0017","5.8609","0.0005","13.5007","0.0019","90","","116.417","0.017","90","","914.1","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 F N O4 -","- C18 H26 F N O4 -","- C36 H52 F2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0923","0.0653","","","0.1773","0.2054","","","","","","1.163","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230668","12.146","0.002","6.0004","0.0007","14.022","0.003","90","","112.03","0.02","90","","947.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C36 H52 Cl2 N2 O8 -","2","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.1288","0.0675","","","0.1746","0.2241","","","","","","1.052","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230669","12.4485","0.0006","10.2927","0.0006","21.8055","0.001","90","","90","","90","","2793.9","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","10-(4-fluorophenyl)-7,8,12,13-tetraoxa-10-azaspiro[5.7]tridecane","","- C14 H18 F N O4 -","- C14 H18 F N O4 -","- C112 H144 F8 N8 O32 -","8","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.2066","0.0939","","","0.2198","0.2702","","","","","","1.175","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230670","11.5582","0.0008","6.0006","0.0003","27.226","0.002","90","","101.111","0.007","90","","1852.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","2","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0914","0.0583","","","0.1374","0.1581","","","","","","1.047","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230671","5.6457","0.0005","26.456","0.004","10.456","0.001","90","","100.112","0.008","90","","1537.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F N O4 -","- C16 H22 F N O4 -","- C64 H88 F4 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0894","0.0483","","","0.1251","0.1563","","","","","","0.865","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230672","11.6303","0.0012","17.6259","0.0018","14.8517","0.0015","90","","91.363","0.002","90","","3043.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Eu N2 O13 P -","- C23 H18 Eu N2 O13 P -","- C92 H72 Eu4 N8 O52 P4 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","","0.71073","MoKα","","0.0467","0.032","","","0.0791","0.0921","","","","","","1.068","","","","has coordinates,has disorder","229103","2020-10-21","18:00:00",""
"7230673","12.735","0.003","6.5866","0.0009","18.883","0.003","90","","90","","90","","1583.9","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6'-phenylspiro[adamantane-2,2'-[1,3,4,8,6]tetraoxazocane]","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Tulyabaev, Arthur R.; Bikmukhametov, Kamil Sh.; Mescheryakova, Ekaterina S.; Makhmudiyarova, Natalia N.; Rakhimov, Rustem Sh.; Khalilov, Leonard M.","What is responsible for conformational diversity in single-crystal tetraoxazaspiroalkanes? X-Ray, DFT, and AIM approaches","CrystEngComm","2018","20","23","3207","","10.1039/C8CE00481A","","x-ray","0.71073","MoKα","","0.0645","0.049","","","0.1276","0.1483","","","","","","0.945","","","","has coordinates","229103","2020-10-21","18:00:00",""
"7230674","8.4809","0.0003","12.392","0.0006","12.8512","0.0006","92.174","0.004","99.176","0.004","103.153","0.004","1294.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H25 Cd Cl2 N3 O4 -","- C23 H23 Cd Cl2 N3 O4 -","- C46 H46 Cd2 Cl4 N6 O8 -","2","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0626","0.0549","","","0.1485","0.1607","","","","","","1.098","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230675","9.4764","0.0002","18.9403","0.0002","22.154","0.0003","90","","91.056","0.002","90","","3975.65","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H84 Cd Cl2 N8 O18 -","- C80 H64 Cd Cl2 N8 O18 -","- C160 H128 Cd2 Cl4 N16 O36 -","2","0.5","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","1.54178","CuKα","","0.0741","0.0664","","","0.1929","0.2026","","","","","","1.046","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230676","29.9946","0.0012","12.7727","0.0009","13.3844","0.0006","90","","98.122","0.004","90","","5076.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Cd Cl2 N2 O7 -","- C20 H16 Cd Cl2 N2 O7 -","- C160 H128 Cd8 Cl16 N16 O56 -","8","1","","Sun, Li; Guo, Rui-Yun; Yang, Xiao-Dong; Ma, Shuai; Zhang, Jie","Vapour-driven crystal-to-crystal transformation showing an interlocking switch of the coordination polymer chains between 1D and 3D","CrystEngComm","2018","20","24","3297","","10.1039/C8CE00591E","","","0.71073","MoKα","","0.0712","0.0485","","","0.1387","0.1609","","","","","","1.043","","","","has coordinates","228889","2020-10-21","18:00:00",""
"7230677","13.8355","0.0003","15.0442","0.0003","15.9034","0.0003","90","","90","","90","","3310.2","0.12","298","","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C136 H136 I8 N32 O8 -","8","2","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.031","0.0251","","","0.056","0.0578","","","","","","1.054","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230678","19.036","0.009","6.927","0.003","25.712","0.012","90","","103.09","0.009","90","","3302","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.0851","0.0564","","","0.1736","0.1934","","","","","","1.07","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230679","13.296","0.003","7.722","0.0002","17.136","0.002","90","","106.02","0.03","90","","1691.1","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 I N4 O -","- C17 H17 I N4 O -","- C68 H68 I4 N16 O4 -","4","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.048","0.0337","","","0.0882","0.0958","","","","","","1.028","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230680","10.049","0.002","13.677","0.003","25.211","0.005","97.626","0.003","94.832","0.003","110.108","0.003","3193.5","1.1","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1195","0.099","","","0.2637","0.2817","","","","","","1.049","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230681","19.1038","0.0013","6.8983","0.0006","25.726","0.002","90","","102.622","0.005","90","","3308.3","0.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1413","0.0861","","","0.2606","0.2913","","","","","","1.123","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230682","10.119","0.004","13.63","0.006","25.37","0.009","97.424","0.01","95.257","0.01","109.834","0.01","3229","2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br N4 O -","- C17 H17 Br N4 O -","- C136 H136 Br8 N32 O8 -","8","4","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.1191","0.0778","","","0.1969","0.2229","","","","","","1.03","","","","has coordinates","228897","2020-10-21","18:00:00",""
"7230683","18.928","0.005","6.9102","0.0017","25.591","0.007","90","","103.145","0.006","90","","3259.5","1.5","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cl N4 O -","- C17 H17 Cl N4 O -","- C136 H136 Cl8 N32 O8 -","8","1","","Li, Changfu; Chai, Yingying; Zhou, Xinglong; Shen, Zhen; Ma, Beibei; Chen, Bojiang; Huang, Ridong; Chen, Hai; Li, Weimin; He, Yang","Choice of hydrogen bonds or halogen bonds by 2-halogenated 5-morpholinomethylphenyl triazolo[1,5-a]pyridine","CrystEngComm","2018","20","22","3006","","10.1039/C8CE00423D","","","0.71073","MoKα","","0.085","0.0552","","","0.1635","0.1793","","","","","","1.078","","","","has coordinates,has disorder","228897","2020-10-21","18:00:00",""
"7230684","6.3497","0.0003","8.0041","0.0004","11.1477","0.0004","71.782","0.004","85.993","0.004","83.431","0.004","534.28","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","- C18 H14 Cu N8 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","","0.7107","MoKα","","0.0438","0.0341","","","0.0747","0.0796","","","","","","1.055","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230685","6.636","0.0003","8.3292","0.0005","11.6684","0.0006","107.729","0.005","97.995","0.004","97.962","0.004","597.05","0.06","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H9 Cu N3 O5 S -","- C10 H9 Cu N3 O5 S -","- C20 H18 Cu2 N6 O10 S2 -","2","1","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0348","0.0332","","","0.0863","0.0889","","","","","","1.142","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230686","6.4091","0.0003","8.0567","0.0004","11.3265","0.0005","70.675","0.004","85.308","0.004","81.872","0.004","545.98","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","- C20 H16 Cu N6 O8 S2 -","1","0.5","","Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna","Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies","CrystEngComm","2018","20","26","3711","","10.1039/C8CE00573G","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.0825","0.0839","","","","","","1.031","","","","has coordinates","228987","2020-10-21","18:00:00",""
"7230687","16.83","0.003","18.059","0.004","15.756","0.003","90","","98.82","0.03","90","","4732.1","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cd2 N6 O11 -","- C34 H18 Cd2 N6 O11 -","- C136 H72 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","0.71073","MoKα","","0.1771","0.091","","","0.1858","0.2218","","","","","","0.954","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230688","16.0536","0.0002","17.8754","0.0002","15.6953","0.0001","90","","102.731","0.001","90","","4393.27","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H26 Cd2 N6 O11 -","- C41 H26 Cd2 N6 O11 -","- C164 H104 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0313","0.0297","","","0.0838","0.0851","","","","","","0.91","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230689","17.1153","0.0001","18.127","0.0001","15.6893","0.0001","90","","94.978","0.001","90","","4849.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cd2 N6 O11 -","- C42 H28 Cd2 N6 O11 -","- C168 H112 Cd8 N24 O44 -","4","1","","Gu, Yun-Feng; Liu, Xiao-Ting; Zhang, Ying; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Supramolecular recognition of benzene homologues in a 2D coordination polymer through variable inter-layer π‒π interaction","CrystEngComm","2018","20","24","3313","","10.1039/C8CE00505B","","","1.54178","CuKα","","0.0308","0.0287","","","0.0633","0.0642","","","","","","1.011","","","","has coordinates","228888","2020-10-21","18:00:00",""
"7230690","18.054","0.015","4.977","0.005","11.429","0.008","90","","108.13","0.04","90","","976","1.5","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 S4 -","- C20 H14 N2 O2 S4 -","- C40 H28 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","0.71069","MoKα","","","0.0548","","","","0.1652","","","","","","1.017","","","","has coordinates","207884","2020-10-21","18:00:00",""
"7230691","11.984","0.0003","4.79313","0.0001","18.2901","0.0004","90","","104.466","0.0011","90","","1017.29","0.04","271","","271","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 S6 -","- C20 H14 N2 S6 -","- C40 H28 N4 S12 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","1.54187","CuKα","","","0.0448","","","","0.1389","","","","","","1.114","","","","has coordinates","207884","2020-10-21","18:00:00",""
"7230692","18.891","0.007","6.409","0.003","9.138","0.004","90","","93.09","0.04","90","","1104.8","0.8","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O2 S4 -","- C22 H18 N2 O2 S4 -","- C44 H36 N4 O4 S8 -","2","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","0.71069","MoKα","","","0.066","","","","0.2475","","","","","","1.032","","","","has coordinates","207884","2020-10-21","18:00:00",""
"7230693","23.6666","0.0004","13.6498","0.0002","7.1729","0.0001","90","","90","","90","","2317.16","0.06","271","","271","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C22 H18 N2 S6 -","- C22 H18 N2 S6 -","- C88 H72 N8 S24 -","4","0.5","","Iijima, Kodai; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko","Impact of bulky phenylalkyl substituents on the air-stable n-channel transistors of birhodanine analogues","RSC Advances","2018","8","33","18400","","10.1039/C8RA03362E","","","1.54187","CuKα","","","0.0353","","","","0.093","","","","","","1.123","","","","has coordinates","207884","2020-10-21","18:00:00",""
"7230694","17.346","0.002","12.1461","0.0009","5.2406","0.0006","90","","105.236","0.007","90","","1065.31","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba K Lu Mo3 O12 -","- Ba0.92 K1.08 Lu Mo3 O12 -","- Ba3.68 K4.32 Lu4 Mo12 O48 -","4","0.5","","Wang, G. Q.; Li, L. Y.; Feng, Y. N.; Yu, H.; Zheng, X. H.","Tb3± and Yb3±doped novel KBaLu(MoO4)3 crystals with disordered chained structure showing down- and up-conversion luminescence","CrystEngComm","2018","20","26","3657","","10.1039/C8CE00461G","","","0.71073","MoKα","","0.0224","0.0214","","","0.0553","0.0558","","","","","","1.102","","","","has coordinates","228990","2020-10-21","18:00:00",""
"7230695","13.2807","0.0005","13.2807","0.0005","14.1753","0.0006","90","","90","","120","","2165.23","0.15","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C6 Br6 Cd Mo6 N6 O4 Se2 -","- C18 Br18 Cd3 Mo18 N18 O12 Se6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0571","0.0506","","","0.1175","0.1212","","","","","","1.062","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230696","19.549","0.0008","10.3084","0.0004","13.7398","0.0005","90","","90","","90","","2768.83","0.19","150","2","150","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.68 Mn Mo6 N6 O2 S2 -","- C6 Br6.0006 Cs0.6742 Mn Mo6 N6 O2 S1.9994 -","- C24 Br24.0024 Cs2.6968 Mn4 Mo24 N24 O8 S7.9976 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0637","0.0383","","","0.1044","0.1123","","","","","","1.052","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230697","19.5758","0.0007","10.4102","0.0004","13.7808","0.0005","90","","90","","90","","2808.36","0.18","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Mn Mo6 N6 O2 -","- C6 Br8 Mn Mo6 N6 O2 -","- C24 Br32 Mn4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0559","0.0551","","","0.1274","0.1276","","","","","","1.367","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230698","19.473","0.004","10.3173","0.0017","13.749","0.003","90","","90","","90","","2762.3","0.9","150","2","150","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C6 Br8 Fe Mo6 N6 O2 -","- C6 Br8 Fe Mo6 N6 O2 -","- C24 Br32 Fe4 Mo24 N24 O8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","x-ray","0.71073","MoKα","","0.1789","0.1526","","","0.4307","0.4529","","","","","","1.116","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230699","13.2013","0.0006","13.2013","0.0006","14.1296","0.0006","90","","90","","120","","2132.52","0.16","150","2","150","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C6 Br6 Cd Mo6 N6 O4 S2 -","- C18 Br18 Cd3 Mo18 N18 O12 S6 -","3","0.5","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0885","0.0581","","","0.1273","0.1352","","","","","","1.072","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230700","19.6163","0.001","10.2909","0.0007","13.8615","0.0008","90","","90","","90","","2798.2","0.3","296","2","296","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C6 Br6 Cs0.82 Mn Mo6 N6 O2 Se2 -","- C6 Br6 Cs0.8156 Mn Mo6 N6 O2 Se2 -","- C24 Br24 Cs3.2624 Mn4 Mo24 N24 O8 Se8 -","4","0.25","","Daigre, Gilles; Lemoine, Pierric; Pham, Thi Diep; Demange, Valérie; Gautier, Régis; Naumov, Nikolay G.; Ledneva, Alexandra; Amela-Cortes, Maria; Dumait, Noée; Audebrand, Nathalie; Cordier, Stéphane","Low dimensional solids based on Mo6 cluster cyanides and Mn2+, Mn3+ or Cd2+ metal ions: crystal chemistry, magnetic and optical properties","CrystEngComm","2018","20","24","3396","","10.1039/C8CE00113H","","","0.71073","MoKα","","0.0498","0.03","","","0.0648","0.0702","","","","","","1.015","","","","has coordinates","228887","2020-10-21","18:00:00",""
"7230701","12.3495","0.0011","21.893","0.002","19.7759","0.0018","90","","103.632","0.002","90","","5196.1","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 As Co2 Mo8 N8 O40 V4 -","- C20 H16 As Co2 Mo8 N8 O40 V4 -","- C80 H64 As4 Co8 Mo32 N32 O160 V16 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0496","0.0408","","","0.1097","0.1156","","","","","","1.042","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230702","10.733","0.004","13.361","0.004","21.952","0.007","89.302","0.006","79.585","0.006","75.901","0.005","3001.2","1.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","- C50 H84 As2 Cu4 Mo16 N20 O83 V8 -","1","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.1114","0.0759","","","0.1891","0.2107","","","","","","1.041","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230703","20.7262","0.0006","14.6357","0.0006","25.6626","0.0009","90","","113.289","0.002","90","","7150.3","0.5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C30 H30 As Cu5 Mo12 N20 O42 V2 -","- C120 H120 As4 Cu20 Mo48 N80 O168 V8 -","4","0.5","","Li, Feng-rui; Lv, Jing-hua; Yu, Kai; Zhang, Mao-lin; Wang, Kun-peng; Meng, Fan-xue; Zhou, Bai-bin","Effective photocatalytic and bifunctional electrocatalytic materials based on Keggin arsenomolybdates and different transition metal capped assemblies","CrystEngComm","2018","20","25","3522","","10.1039/C8CE00550H","","","0.71073","MoKα","","0.0639","0.0484","","","0.1351","0.1451","","","","","","1.05","","","","has coordinates","229032","2020-10-21","18:00:00",""
"7230704","18.0444","0.0006","11.4284","0.0005","17.241","0.0006","90","","90","","90","","3555.4","0.2","173.15","","173.15","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C31 H36 Br2 Cl2 N8 O4 -","- C31 H36 Br2 Cl2 N8 O4 -","- C124 H144 Br8 Cl8 N32 O16 -","4","0.5","","Naseer, Muhammad Moazzam; Bauzá, Antonio; Alnasr, Hazem; Jurkschat, Klaus; Frontera, Antonio","Lone pair‒π vs. σ-hole‒π interactions in bromine head-containing oxacalix[2]arene[2]triazines","CrystEngComm","2018","20","23","3251","","10.1039/C8CE00666K","","x-ray","0.71073","MoKα","","0.064","0.0425","","","0.1172","0.1283","","","","","","1.081","","","","has coordinates","229107","2020-10-21","18:00:00",""
"7230705","10.4863","0.0002","9.6208","0.0002","12.383","0.0002","90","","111.484","0.002","90","","1162.48","0.04","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Cl N O S -","- C13 H10 Cl N O S -","- C52 H40 Cl4 N4 O4 S4 -","4","1","","Ma, Yan-Na; Guo, Chen-Yang; Zhao, Qianyi; Zhang, Jie; Chen, Xuenian","Synthesis of dibenzothiazines from sulfides by one-pot N,O-transfer and intramolecular C‒H amination","Green Chemistry","2018","20","13","2953","","10.1039/C8GC01057A","","x-ray","1.54184","CuKα","","0.0528","0.0454","","","0.1406","0.1462","","","","","","1.155","","","","has coordinates","230103","2020-10-21","18:00:00",""
"7230706","13.4074","0.0004","11.4312","0.0003","18.1544","0.0005","90","","110.539","0.003","90","","2605.53","0.14","296.8","0.1","296.8","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 Cl2 P -","- C32 H23 Cl2 P -","- C128 H92 Cl8 P4 -","4","1","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Ubba, Eethamukkala; Zhan, Tianya; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","Gated photochromic molecules with AIEgen: turn-on the photochromism with an oxidation reagent","RSC Advances","2018","8","33","18613","","10.1039/C8RA02828A","","","1.54184","CuKα","","0.047","0.0426","","","0.1157","0.1206","","","","","","1.092","","","","has coordinates","207899","2020-10-21","18:00:00",""
"7230707","27.1771","0.0004","9.16128","0.00015","10.88636","0.00013","90","","98.5848","0.0013","90","","2680.09","0.07","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C32 H23 Cl2 O P -","- C32 H23 Cl2 O P -","- C128 H92 Cl8 O4 P4 -","4","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Ubba, Eethamukkala; Zhan, Tianya; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","Gated photochromic molecules with AIEgen: turn-on the photochromism with an oxidation reagent","RSC Advances","2018","8","33","18613","","10.1039/C8RA02828A","","","1.54184","CuKα","","0.0391","0.0351","","","0.0974","0.1019","","","","","","1.051","","","","has coordinates","207899","2020-10-21","18:00:00",""
"7230708","7.5146","0.0002","18.6958","0.0003","30.8781","0.0005","90","","90","","90","","4338.11","0.15","121","2","121","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H27 Cl N4 O3 -","- C23 H27 Cl N4 O3 -","- C184 H216 Cl8 N32 O24 -","8","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","1.54184","CuKα","","0.0563","0.0504","","","0.1239","0.1284","","","","","","1.139","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230709","9.1897","0.0004","11.1766","0.0006","11.9074","0.0007","114.544","0.005","92.599","0.004","112.821","0.005","993.84","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0616","0.046","","","0.1116","0.1208","","","","","","1.067","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230710","17.3674","0.0003","11.1504","0.0001","23.6192","0.0003","90","","109.303","0.002","90","","4316.81","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H45.92 Br0.08 N6 O12 S2 -","- C42 H45.9162 Br0.0838 N6 O12 S2 -","- C168 H183.665 Br0.3352 N24 O48 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0877","0.0509","","","0.0985","0.1147","","","","","","1.054","","","","has coordinates,has disorder","207900","2020-10-21","18:00:00",""
"7230711","11.9809","0.0004","11.1869","0.0003","14.9549","0.0005","90","","98.115","0.003","90","","1984.32","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.1107","0.0569","","","0.1035","0.1289","","","","","","1.085","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230712","8.5126","0.0019","22.934","0.016","11.454","0.004","90","","100.85","0.03","90","","2196.2","1.8","130","1","130","1","","","","","","","","4","I 1 a 1","I -2ya","9","","","","- C25 H26 N4 O4 -","- C25 H26 N4 O4 -","- C100 H104 N16 O16 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.2077","0.0789","","","0.1682","0.2356","","","","","","0.935","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230713","11.0646","0.0002","25.5172","0.0004","15.8131","0.0002","90","","107.833","0.002","90","","4250.12","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 N6 O9 -","- C45 H54 N6 O9 -","- C180 H216 N24 O36 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0653","0.0462","","","0.1037","0.1141","","","","","","1.038","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230714","9.1583","0.0006","10.1568","0.0008","12.0609","0.0009","101.718","0.006","100.729","0.006","100.02","0.006","1052.83","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 N4 O4 S -","- C22 H26 N4 O4 S -","- C44 H52 N8 O8 S2 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","1.54184","CuKα","","0.0803","0.0567","","","0.1509","0.1688","","","","","","1.049","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230715","10.782","0.0002","7.2978","0.0001","24.7359","0.0004","90","","91.136","0.001","90","","1945.96","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N2 O3 S -","- C19 H23 Cl N2 O3 S -","- C76 H92 Cl4 N8 O12 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0539","0.0394","","","0.0956","0.1054","","","","","","1.046","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230716","8.1025","0.0002","25.7392","0.0004","10.5439","0.0002","90","","109.355","0.002","90","","2074.67","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 O6 S -","- C21 H23 N3 O6 S -","- C84 H92 N12 O24 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0517","0.0383","","","0.0907","0.0997","","","","","","1.081","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230717","7.3613","0.0002","39.3723","0.0009","14.2823","0.0004","90","","98.867","0.003","90","","4089.99","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C88 H96 N12 O22 -","- C88 H96 N12 O22 -","- C176 H192 N24 O44 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0942","0.0576","","","0.1068","0.123","","","","","","1.028","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230718","7.1893","0.0004","11.0732","0.0006","12.4016","0.0009","101.763","0.005","96.088","0.006","105.598","0.005","917.3","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cl N2 O2 -","- C20 H23 Cl N2 O2 -","- C40 H46 Cl2 N4 O4 -","2","1","","Kalinowska-Tłuścik, Justyna; Staroń, Jakub; Krawczuk, Anna; Mordalski, Stefan; Warszycki, Dawid; Satała, Grzegorz; Hogendorf, Adam S.; Bojarski, Andrzej J.","The effect of the intramolecular C‒H⋯O interactions on the conformational preferences of bis-arylsulfones ‒ 5-HT6 receptor antagonists and beyond","RSC Advances","2018","8","33","18672","","10.1039/C8RA03107J","","","0.71073","MoKα","","0.0693","0.0484","","","0.1101","0.125","","","","","","1.046","","","","has coordinates","207900","2020-10-21","18:00:00",""
"7230719","11.53","0.03","11.81","0.03","12.99","0.03","96.31","0.03","110.35","0.03","96.93","0.04","1624","7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H64 N24 O48 V10 Zn3 -","- C12 H64 N24 O48 V10 Zn3 -","- C12 H64 N24 O48 V10 Zn3 -","1","0.5","","Cao, Jia-Peng; Shen, Feng-Cui; Luo, Xi-Ming; Cui, Chen-Hui; Lan, Ya-Qian; Xu, Yan","Proton conductivity resulting from different triazole-based ligands in two new bifunctional decavanadates","RSC Advances","2018","8","33","18560","","10.1039/C8RA02694G","","","0.71073","MoKα","","0.1542","0.0773","","","0.1561","0.178","","","","","","1.015","","","","has coordinates,has disorder","207901","2020-10-21","18:00:00",""
"7230720","10.775","0.013","12.464","0.015","13.191","0.016","117.801","0.012","94.002","0.015","103.534","0.013","1490","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H48 N24 O40 V10 Zn3 -","- C16 H48 N24 O40 V10 Zn3 -","- C16 H48 N24 O40 V10 Zn3 -","1","0.5","","Cao, Jia-Peng; Shen, Feng-Cui; Luo, Xi-Ming; Cui, Chen-Hui; Lan, Ya-Qian; Xu, Yan","Proton conductivity resulting from different triazole-based ligands in two new bifunctional decavanadates","RSC Advances","2018","8","33","18560","","10.1039/C8RA02694G","","","0.71073","MoKα","","0.069","0.0475","","","0.1273","0.1382","","","","","","1.07","","","","has coordinates","207901","2020-10-21","18:00:00",""
"7230721","21.758","0.005","50.304","0.005","13.416","0.005","90","","90","","90","","14684","7","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C80 H70 Cl2 N6 O11 -","- C80 H70 Cl2 N6 O11 -","- C640 H560 Cl16 N48 O88 -","8","0.5","","Wang, Dong; Li, Linna; Feng, Hairong; Sun, Hua; Almeida-Veloso, Fabrice; Charavin, Marine; Yu, Peng; Désaubry, Laurent","Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles","Green Chemistry","2018","20","12","2775","","10.1039/C8GC00987B","","","0.71073","MoKα","","0.0607","0.0527","","","0.1321","0.1378","","","","","","1.082","","","","has coordinates","230124","2020-10-21","18:00:00",""
"7230722","12.043","0.003","13.174","0.004","13.616","0.004","98.819","0.009","97.641","0.006","98.079","0.005","2087","1","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 Cl2 N3 O4 -","- C48 H49 Cl2 N3 O4 -","- C96 H98 Cl4 N6 O8 -","2","1","","Wang, Dong; Li, Linna; Feng, Hairong; Sun, Hua; Almeida-Veloso, Fabrice; Charavin, Marine; Yu, Peng; Désaubry, Laurent","Catalyst-free three-component synthesis of highly functionalized 2,3-dihydropyrroles","Green Chemistry","2018","20","12","2775","","10.1039/C8GC00987B","","","0.71075","MoKα","","0.0874","0.0568","","","0.1415","0.1572","","","","","","1.056","","","","has coordinates","230124","2020-10-21","18:00:00",""
"7230723","8.3611","0.0002","10.3462","0.0002","10.3808","0.0003","106.747","0.003","113.735","0.003","103.091","0.003","724.61","0.05","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C30 H24 I4 N4 -","2","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0181","0.0171","","","0.04","0.0403","","","","","","1.059","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230724","11.6765","0.0002","22.8696","0.0004","8.3636","0.0001","90","","110.549","0.002","90","","2091.28","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.4 H12.8 Cl0.8 I2 N2 -","- C19.4 H12 Cl0.8 I2 N2 -","- C77.6 H48 Cl3.2 I8 N8 -","4","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","1.5418","CuKα","","0.0419","0.0386","","","0.112","0.1151","","","","","","0.976","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230725","17.8602","0.0006","17.9174","0.0006","11.0199","0.0004","90","","90","","90","","3526.5","0.2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C16 H14 Cl2 I2 N2 -","- C16 H14 Cl2 I2 N2 -","- C128 H112 Cl16 I16 N16 -","8","1","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.71073","MoKα","","0.0652","0.0646","","","0.1603","0.1611","","","","","","1.763","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230726","7.7955","0.0005","36.484","0.007","10.5534","0.0011","90","","105.088","0.007","90","","2898","0.7","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I2 N2 -","- C15 H12 I2 N2 -","- C120 H96 I16 N16 -","8","2","","González, Lucía; Graus, Sara; Tejedor, Rosa María; López, Pilar; Elguero, José; Serrano, José Luis; Uriel, Santiago","From diiodo Tröger's bases towards halogen-bonded porous organic crystalline materials","CrystEngComm","2018","20","23","3167","","10.1039/C8CE00557E","","","0.7107","MoKα","","0.0521","0.0387","","","0.072","0.0744","","","","","","1.151","","","","has coordinates","229105","2020-10-21","18:00:00",""
"7230727","11.314","0.006","15.217","0.009","17.158","0.01","106.412","0.007","98.879","0.006","105.061","0.006","2652","3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C45 H50 Cl3 N9 O19 Zn1.5 -","- C90 H100 Cl6 N18 O38 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0915","0.0672","","","0.1679","0.182","","","","","","1.027","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230728","11.3806","0.001","11.4717","0.001","11.9184","0.001","105.855","0.001","108.975","0.001","101.196","0.001","1345.2","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N4 O9 Zn1.5 -","- C24 H24 Cl N4 O9 Zn1.5 -","- C48 H48 Cl2 N8 O18 Zn3 -","2","1","","Colinas, Ian R.; Rojas-Andrade, Mauricio D.; Chakraborty, Indranil; Oliver, Scott R. J.","Two structurally diverse Zn-based coordination polymers with excellent antibacterial activity","CrystEngComm","2018","20","24","3353","","10.1039/C8CE00394G","","","0.71073","MoKα","","0.0631","0.0595","","","0.1381","0.1408","","","","","","1.036","","","","has coordinates","228886","2020-10-21","18:00:00",""
"7230729","28.576","0.002","28.576","0.002","17.986","0.001","90","","90","","90","","14687.1","1.7","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H28 Cu F6 N4 O9 S2 -","- C26 H16 Cu F6 N4 O9 S2 -","- C416 H256 Cu16 F96 N64 O144 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.0765","0.0716","","","0.2183","0.2233","","","","","","1.118","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230730","28.28","0.007","28.28","","19.059","0.005","90","","90","","90","","15243","5","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1937","0.1712","","","0.5198","0.5337","","","","","","2.194","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230731","17.338","0.001","42.746","0.002","43.404","0.002","90","","90","","90","","32168","3","150","2","150","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C24.375 H20.75 Cd Cl0.75 F6 N4 O6.5 S2 -","- C780 H664 Cd32 Cl24 F192 N128 O208 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.0968","0.0846","","","0.2594","0.2721","","","","","","1.077","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230732","16.993","0.009","42.006","0.002","42.426","0.002","90","","90","","90","","30284","16","120","2","120","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C22 H16.75 F6 Fe N4 O6.375 S2 -","- C22 H16 F6 Fe N4 O6.376 S2 -","- C704 H512 F192 Fe32 N128 O204.032 S64 -","32","1","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1178","0.1085","","","0.3232","0.3311","","","","","","1.472","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230733","28.481","0.004","28.481","","18.723","0.003","90","","90","","90","","15187","3","293","2","293","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C22 H16 Cu F6 N4 O6 S2 -","- C22 H16 Cu F6 N4 O6 S2 -","- C352 H256 Cu16 F96 N64 O96 S32 -","16","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","","0.71073","MoKα","","0.1482","0.1237","","","0.3788","0.3948","","","","","","1.54","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230734","7.852","0.003","15.069","0.006","23.107","0.01","90","","90","","90","","2734.1","1.9","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H20 F6 Fe N4 O8 S2 -","- C22 H20 F6 Fe N4 O8 S2 -","- C88 H80 F24 Fe4 N16 O32 S8 -","4","0.5","","Rizzato, Silvia; Moret, Massimo; Beghi, Fabio; Lo Presti, Leonardo","Crystallization and structural properties of a family of isotopological 3D-networks: the case of a 4,4′-bipy ligand‒M2+ triflate system","CrystEngComm","2018","20","26","3784","","10.1039/C8CE00653A","","x-ray","0.71073","MoKα","","0.1032","0.0804","","","0.2179","0.2479","","","","","","1.034","","","","has coordinates,has disorder","228989","2020-10-21","18:00:00",""
"7230735","9.5545","0.0019","16.926","0.003","7.8873","0.0016","90","","90.72","0.03","90","","1275.4","0.4","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cd F2 N12 O2 -","- C18 H28 Cd F2 N12 O2 -","- C36 H56 Cd2 F4 N24 O4 -","2","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0364","0.0248","","","0.0617","0.0661","","","","","","0.947","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230736","8.972","0.0013","8.972","0.0013","21.077","0.004","90","","90","","120","","1469.3","0.4","293","2","293.15","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C18 H32 Co F N13 O7 -","- C18 H31.9999 Co F N13 O7 -","- C36 H63.9998 Co2 F2 N26 O14 -","2","0.166667","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0542","0.0398","","","0.1113","0.12","","","","","","1.053","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230737","8.9","0.0018","21.14","0.004","15.03","0.003","90","","90","","90","","2827.8","1","293","2","293.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H34 F2 N12 Ni O5 -","- C18 H34 F2 N12 Ni O5 -","- C72 H136 F8 N48 Ni4 O20 -","4","0.5","","Jian, Fang Fang; Liu, E.; Ma, Jun Ying","Interesting fluorine anion water clusters [F−·(H2O)n] in metal complex crystals","CrystEngComm","2018","20","27","3849","","10.1039/C8CE00532J","","","0.71073","MoKα","","0.0418","0.0274","","","0.0775","0.0869","","","","","","1.036","","","","has coordinates","228914","2020-10-21","18:00:00",""
"7230738","7.22158","0.00015","9.60997","0.00016","13.4791","0.0003","90","","90","","90","","935.44","0.03","109.95","0.1","109.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0639","0.0646","","","","","","1.075","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230739","8.36693","0.00018","7.08624","0.00014","19.5336","0.0004","90","","93.2815","0.0018","90","","1156.25","0.04","110.05","0.1","110.05","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","2","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0381","0.0334","","","0.0811","0.0846","","","","","","1.051","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230740","13.5583","0.0002","13.5583","0.0002","45.7998","0.0006","90","","90","","120","","7291.3","0.18","110.05","0.1","110.05","0.1","","","","","","","","3","P 65","P 65","170","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C360 H336 O72 -","24","4","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0914","0.0909","","","0.2298","0.2302","","","","","","1.072","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230741","6.32713","0.00007","10.32552","0.0001","15.23806","0.00018","90","","90","","90","","995.516","0.019","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.021","0.0209","","","0.0563","0.0563","","","","","","1.046","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230742","9.50457","0.00013","9.59528","0.00011","11.4776","0.00013","90","","90","","90","","1046.75","0.02","110.1","0.14","110.1","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0257","0.0244","","","0.0604","0.0615","","","","","","1.084","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230743","6.47958","0.00016","7.89044","0.00019","22.4589","0.0006","90","","90","","90","","1148.25","0.05","109.9","0.2","109.9","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.036","0.0334","","","0.0839","0.0864","","","","","","1.067","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230744","5.94601","0.00013","5.17983","0.00013","18.2456","0.0005","90","","94.739","0.002","90","","560.03","0.02","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H11 Cl O3 -","- C13 H11 Cl O3 -","- C26 H22 Cl2 O6 -","2","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0371","0.0358","","","0.092","0.0934","","","","","","1.038","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230745","11.11016","0.0001","9.04172","0.00009","15.58673","0.00013","90","","95.3028","0.0008","90","","1559.06","0.02","110.05","0.1","110.05","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C78 H72 O18 -","6","3","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.03","0.0277","","","0.0673","0.0692","","","","","","1.06","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230746","9.6495","0.0009","25.376","0.002","14.0175","0.0013","90","","107.672","0.003","90","","3270.4","0.5","200","2","200","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Yu, Chin-Yang; Lai, Yu-Chun","Synthesis, aggregation induced emission and through space conjugation of triphenylvinylphenyl substituted [2.2]paracyclophane-1,9-diene","RSC Advances","2018","8","35","19341","","10.1039/C8RA03025A","","","0.71073","MoKα","","0.1113","0.0978","","","0.3319","0.3573","","","","","","1.603","","","","has coordinates","207984","2020-10-21","18:00:00",""
"7230747","13.883","0.0016","11.6713","0.0013","7.3807","0.0008","90","","92.738","0.004","90","","1194.5","0.2","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br -","- C16 H11 Br -","- C64 H44 Br4 -","4","1","","Yu, Chin-Yang; Lai, Yu-Chun","Synthesis, aggregation induced emission and through space conjugation of triphenylvinylphenyl substituted [2.2]paracyclophane-1,9-diene","RSC Advances","2018","8","35","19341","","10.1039/C8RA03025A","","","0.71073","MoKα","","0.0585","0.0434","","","0.1018","0.111","","","","","","1.048","","","","has coordinates","207984","2020-10-21","18:00:00",""
"7230748","9.3745","0.0002","11.453","0.0003","13.8901","0.0003","90","","90","","90","","1491.33","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","1","","Yu, Xuan; Bai, Hui; Wang, Dong; Qin, Zhaohai; Li, Jia-Qi; Fu, Bin","A convenient approach to difluoromethylated all-carbon quaternary centers via Ni(ii)-catalyzed enantioselective Michael addition","RSC Advances","2018","8","35","19402","","10.1039/C8RA02853B","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.061","","","","has coordinates","207985","2020-10-21","18:00:00",""
"7230749","28.4964","0.0013","8.1448","0.0003","15.5302","0.0007","90","","90","","90","","3604.5","0.3","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Sulfathiazoium besilate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate","","- C15 H15 N3 O5 S3 -","- C15 H15 N3 O5 S3 -","- C120 H120 N24 O40 S24 -","8","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.1032","0.0537","","","0.0998","0.122","","","","","","1.102","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230750","8.0557","0.0002","9.9422","0.0003","17.209","0.0005","90","","90.57","0.001","90","","1378.22","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Sulfathiazoium tetrafluoroborate","","- C9 H10 B F4 N3 O2 S2 -","- C9 H10 B F4 N3 O2 S2 -","- C36 H40 B4 F16 N12 O8 S8 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0422","0.0369","","","0.0963","0.1008","","","","","","1.096","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230751","14.9484","0.0004","8.2585","0.0002","22.9621","0.0006","90","","100.818","0.001","90","","2784.33","0.12","173","2","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazoium hydrogen dinitrate","4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium nitrate nitric acid","","- C18 H21 N9 O13 S4 -","- C18 H21 N9 O13 S4 -","- C72 H84 N36 O52 S16 -","4","1","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0638","0.039","","","0.0897","0.1022","","","","","","1.026","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230752","17.4737","0.0009","11.624","0.0005","11.7557","0.0005","90","","90.072","0.002","90","","2387.75","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Sulfathiazolium Sulfate Hydrate","","- C18 H22 N6 O9 S5 -","- C18 H20 N6 O9 S5 -","- C72 H80 N24 O36 S20 -","4","0.5","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0922","0.0504","","","0.0961","0.1134","","","","","","1.055","","","","has coordinates,has disorder","228890","2020-10-21","18:00:00",""
"7230753","13.1054","0.0004","13.3838","0.0003","17.8464","0.0004","109.958","0.001","92.029","0.002","111.591","0.001","2689","0.12","173","2","173.2","","","","","","","","","5","P -1","-P 1","2","N-(2-methyl-4-oxopentan-2-yl)sulfathiazoium tosylate","N-(2-methyl-4-oxopentan-2-yl)-4-(N-(thiazol-2(3H)-ylidene)sulfamoyl)benzenaminium 4-methylbenzenesulfonate","","- C22 H27 N3 O6 S3 -","- C22 H27 N3 O6 S3 -","- C88 H108 N12 O24 S12 -","4","2","","Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J.","Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs","CrystEngComm","2018","20","24","3428","","10.1039/C8CE00606G","","","0.71073","MoKα","","0.0978","0.0496","","","0.11","0.1382","","","","","","1.028","","","","has coordinates","228890","2020-10-21","18:00:00",""
"7230754","12.931","0.003","27.071","0.005","13.699","0.003","90","","118.15","0.03","90","","4228","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H48 N14 O34 Zn5 -","- C72 H48 N14 O34 Zn5 -","- C144 H96 N28 O68 Zn10 -","2","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.1529","0.0661","","","0.1346","0.1619","","","","","","0.872","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230755","10.748","0.002","12.175","0.002","19.15","0.004","90","","97.74","0.03","90","","2483.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C104 H64 N24 O24 Zn4 -","4","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0424","0.0308","","","0.0795","0.0847","","","","","","1.035","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230756","22.968","0.005","9.911","0.002","21.552","0.004","90","","107.46","0.03","90","","4680","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N6 O6 Zn -","- C26 H16 N6 O6 Zn -","- C208 H128 N48 O48 Zn8 -","8","1","","Wang, Jun-Jie; Zhang, You-Juan; Chen, Yan; Si, Pan-Pan; Pan, Ya-Ya; Yang, Jie; Fan, Rui-Yang; Li, Zhao-Yang","Three new Zn-based metal‒organic frameworks exhibiting selective fluorescence sensing and photocatalytic activity","CrystEngComm","2018","20","27","3877","","10.1039/C8CE00598B","","","0.71073","MoKα","","0.0657","0.0388","","","0.1005","0.1132","","","","","","1.004","","","","has coordinates","228911","2020-10-21","18:00:00",""
"7230757","11.4292","0.0009","8.7331","0.0016","8.876","0.0014","90","","96.18","0.01","90","","880.8","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dimethylammonium copper formate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41096","synchrotron","","0.0668","0.0442","","","0.103","0.134","","","","","","1.16","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230758","5.4601","0.0009","5.9181","0.0012","5.784","0.004","94.58","0.04","90","0.03","96.582","0.015","185.07","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1251","0.0823","","","0.2031","0.2183","","","","","","0.908","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230759","8.26613","0.00019","8.26613","0.00019","22.2627","0.0003","90","","90","","120","","1317.39","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0327","0.0285","","","0.0703","0.0759","","","","","","1.262","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230760","8.2046","0.0002","8.2046","0.0002","21.6892","0.0003","90","","90","","120","","1264.41","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0426","0.0369","","","0.0896","0.0973","","","","","","1.213","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230761","11.3613","0.0003","8.6208","0.0005","8.718","0.0005","90","","95.658","0.003","90","","849.71","0.07","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.047","0.033","","","0.0723","0.0914","","","","","","1.158","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230762","10.9738","0.0006","8.4692","0.0011","8.109","0.0009","90","","94.187","0.007","90","","751.63","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0623","0.0442","","","0.1076","0.1271","","","","","","1.12","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230763","11.39538","0.00018","8.6694","0.0004","8.7825","0.0004","90","","95.884","0.002","90","","863.06","0.06","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.048","0.0335","","","0.077","0.1008","","","","","","1.187","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230764","11.27196","0.00014","8.5295","0.0003","8.5611","0.0003","90","","95.1904","0.0017","90","","819.72","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0501","0.0359","","","0.0837","0.1012","","","","","","1.129","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230765","8.1738","0.0004","8.1738","0.0004","21.4104","0.0006","90","","90","","120","","1238.81","0.09","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0509","0.041","","","0.0982","0.1137","","","","","","1.24","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230766","5.3448","0.0017","5.871","0.002","5.67","0.006","96.33","0.08","88.41","0.06","96.33","0.03","175.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1021","0.0746","","","0.1838","0.2022","","","","","","1.055","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230767","8.1373","0.0006","8.1373","0.0006","21.1601","0.0007","90","","90","","120","","1213.41","0.13","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","0.166667","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0643","0.0532","","","0.1437","0.1643","","","","","","1.114","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230768","11.22268","0.00013","8.4953","0.0003","8.4836","0.0002","90","","94.9859","0.0018","90","","805.77","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0569","0.0401","","","0.092","0.1092","","","","","","1.149","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230769","11.08603","0.00018","8.4489","0.0004","8.2715","0.0003","90","","94.553","0.003","90","","772.3","0.05","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0734","0.0514","","","0.1259","0.1499","","","","","","1.082","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230770","8.25785","0.00019","8.25785","0.00019","22.5102","0.0006","90","","90","","120","","1329.36","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.4109","synchrotron","","0.0498","0.0394","","","0.1092","0.1239","","","","","","1.209","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230771","8.31888","0.00017","8.31888","0.00017","22.8731","0.0003","90","","90","","120","","1370.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0329","0.0277","","","0.0687","0.0758","","","","","","1.192","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230772","5.3066","0.0017","5.849","0.002","5.599","0.007","96.76","0.08","88.11","0.06","95.53","0.03","171.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1088","0.0872","","","0.2416","0.2522","","","","","","1.039","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230773","8.0626","0.0004","8.0626","0.0004","21.3349","0.0011","90","","90","","120","","1201.08","0.1","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0543","0.0433","","","0.0995","0.1118","","","","","","1.143","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230774","8.1069","0.0002","8.1069","0.0002","21.6257","0.0008","90","","90","","120","","1230.87","0.06","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0407","0.0351","","","0.0793","0.0863","","","","","","1.211","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230775","7.9888","0.001","7.9888","0.001","20.926","0.002","90","","90","","120","","1156.6","0.2","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0737","0.0549","","","0.1345","0.1556","","","","","","1.106","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230776","10.763","0.011","8.256","0.007","7.985","0.006","90.26","0.06","91.72","0.09","99.47","0.1","699.5","1.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","- C20 H44 Fe4 N4 O24 -","1","1","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.1347","0.079","","","0.1867","0.2059","","","","","","1.038","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230777","8.0225","0.0006","8.0225","0.0006","21.1076","0.0016","90","","90","","120","","1176.49","0.15","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0648","0.0522","","","0.1165","0.1288","","","","","","1.123","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230778","7.9495","0.0007","7.9495","0.0007","20.5428","0.0013","90","","90","","120","","1124.27","0.16","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0601","0.0475","","","0.115","0.1301","","","","","","1.122","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230779","8.30764","0.00016","8.30764","0.00016","22.6507","0.0003","90","","90","","120","","1353.84","0.04","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Mn N O6 -","- C5 H10.9998 Mn N0.9999 O6 -","- C30 H65.9988 Mn6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0331","0.0281","","","0.0718","0.0794","","","","","","1.137","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230780","8.17987","0.00018","8.17987","0.00018","22.0315","0.0006","90","","90","","120","","1276.64","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.0405","0.0351","","","0.0818","0.0894","","","","","","1.183","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230781","7.9763","0.0006","7.9763","0.0006","20.6525","0.0012","90","","90","","120","","1137.91","0.14","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41111","synchrotron","","0.051","0.0421","","","0.0998","0.1098","","","","","","1.093","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230782","11.3229","0.0005","8.5761","0.0008","8.6487","0.0008","90","","95.432","0.005","90","","836.07","0.12","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0498","0.0337","","","0.0786","0.0989","","","","","","1.146","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230783","11.16852","0.00013","8.4704","0.0003","8.3956","0.0002","90","","94.7845","0.0018","90","","791.47","0.04","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.063","0.0457","","","0.1054","0.122","","","","","","1.111","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230784","7.9947","0.0002","7.9947","0.0002","20.7241","0.0005","90","","90","","120","","1147.12","0.05","293","2","293","2","","","","","","","","5","R -3 c","-R 3 2""c","167","","","","- C5 H11 Fe N O6 -","- C5 H10.9998 Fe N0.9999 O6 -","- C30 H65.9988 Fe6 N5.9994 O36 -","6","","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41119","synchrotron","","0.0419","0.0377","","","0.103","0.1074","","","","","","1.198","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230785","5.4239","0.0008","5.9107","0.0012","5.755","0.005","95.38","0.04","89.33","0.04","96.927","0.015","182.35","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.1061","0.0732","","","0.1877","0.2012","","","","","","0.996","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230786","5.3901","0.0009","5.8969","0.0014","5.72","0.004","95.95","0.05","88.82","0.04","96.958","0.016","179.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 Cu N O6 -","- C5 Cu N O6 -","- C5 Cu N O6 -","1","0.5","","Collings, Ines; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Disorder‒order transitions in the perovskite metal‒organic frameworks [(CH3)2NH2][M(HCOO)3] at high pressure","CrystEngComm","2018","","","","","10.1039/C8CE00617B","","","0.41108","synchrotron","","0.0983","0.0743","","","0.1968","0.2072","","","","","","1.058","","","","has coordinates","208015","2020-10-21","18:00:00",""
"7230787","9.4626","0.001","12.2484","0.0014","12.7852","0.0013","84.367","0.009","71.2","0.009","74.329","0.01","1350.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 N7 O3 -","- C27 H33 N7 O3 -","- C54 H66 N14 O6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1455","0.0772","","","0.1809","0.2272","","","","","","1.13","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230788","15.4695","0.0014","25.496","0.002","12.3469","0.0017","90","","94.928","0.01","90","","4851.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N8 O7 P -","- C43 H71 N8 O7 P -","- C172 H284 N32 O28 P4 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.201","0.0862","","","0.1711","0.233","","","","","","0.995","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230789","12.4753","0.0015","12.4982","0.0009","16.6285","0.0016","102.863","0.007","96.291","0.009","97.109","0.008","2482.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H72 N8 O2 S3 -","- C45 H72 N8 O2 S3 -","- C90 H144 N16 O4 S6 -","2","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1529","0.0815","","","0.1752","0.2219","","","","","","0.966","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230790","10.343","0.0009","22.987","0.004","20.053","0.002","90","","100.231","0.01","90","","4691.9","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H69 Cl N8 S3 -","- C43 H69 Cl N8 S3 -","- C172 H276 Cl4 N32 S12 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.3175","0.0986","","","0.1306","0.2023","","","","","","0.998","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230791","30.643","0.004","13.4778","0.0016","23.218","0.003","90","","90","","90","","9589","2","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87 H138 N16 O3 S6 -","- C87 H138 N16 O3 S6 -","- C348 H552 N64 O12 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.2414","0.0704","","","0.1383","0.1985","","","","","","0.933","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230792","25.9879","0.0008","9.8507","0.0003","26.893","0.0011","90","","90","","90","","6884.6","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C54 H65 N14 S6 -","- C54 H65 N14 S6 -","- C216 H260 N56 S24 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.0951","0.0715","","","0.191","0.2072","","","","","","1.1","","","","has coordinates","228986","2020-10-21","18:00:00",""
"7230793","30.977","0.006","13.483","0.003","23.39","0.005","90","","90","","90","","9769","4","298","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C86 H138 N16 O4 S7 -","- C86 H138 N16 O4 S7 -","- C344 H552 N64 O16 S28 -","4","1","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1776","0.0662","","","0.153","0.2066","","","","","","0.902","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230794","13.85","0.001","13.85","0.001","43.014","0.004","90","","90","","120","","7145.6","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C43 H66 F N8 O6 -","- C42.9983 H66 F N8 O6 -","- C257.99 H396 F6 N48 O36 -","6","0.333333","","Manna, Utsab; Das, Gopal","Cyclic (H2O)6confined hexameric host‒guest assemblies and aerial CO2fixation by electron-rich neutral urea/thiourea scaffolds","CrystEngComm","2018","20","26","3741","","10.1039/C8CE00611C","","","0.71073","MoKα","","0.1189","0.0821","","","0.2513","0.2837","","","","","","1.18","","","","has coordinates,has disorder","228986","2020-10-21","18:00:00",""
"7230795","4.8172","0.0001","9.6864","0.0003","11.2302","0.0003","90","","96.724","0.003","90","","520.41","0.02","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","sulfanilamid sulfamic acid salt","4-aminobenzenosulfonamid sulfamic acid salt","","- C6 H11 N3 O5 S2 -","- C6 H11 N3 O5 S2 -","- C12 H22 N6 O10 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0474","0.0364","","","0.0766","0.0852","","","","","","1.058","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230796","17.2685","0.0004","6.2883","0.0002","7.9171","0.0002","90","","97.627","0.003","90","","852.11","0.04","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","sulfanilamide (4-sulfamoyl-phenyl)oxalamic acid salt","4-aminobenzenesulfonamide (4-sulfamoyl-phenyl)oxalamic acid salt","","- C14 H16 N4 O7 S2 -","- C14 H16 N4 O7 S2 -","- C28 H32 N8 O14 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna M.","Crystal engineering, optical properties and electron density distribution of polar multicomponent materials containing sulfanilamide","CrystEngComm","2018","20","26","3638","","10.1039/C8CE00568K","","x-ray","0.71073","MoKα","","0.0601","0.0385","","","0.0886","0.0926","","","","","","0.965","","","","has coordinates","228988","2020-10-21","18:00:00",""
"7230797","8.2375","0.0016","8.9686","0.0018","12.966","0.003","89.29","0.03","79.51","0.03","69.14","0.03","878.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C42 H40 O6 -","2","1","","Ye, Fei; Ma, Peng; Zhai, Yue; Yang, Fei; Gao, Shuang; Zhao, Li-Xia; Fu, Ying","Design, microwave-assisted synthesis, bioactivity and SAR of novel substituted 2-phenyl-2-cyclohexanedione enol ester derivatives","RSC Advances","2018","8","35","19883","","10.1039/C8RA02647E","","","0.71073","MoKα","","0.0577","0.0403","","","0.1111","0.1266","","","","","","1.051","","","","has coordinates","208020","2020-10-21","18:00:00",""
"7230798","16.677","0.001","17.848","0.001","27.356","0.002","90","","93.947","0.002","90","","8123.2","0.9","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H86 Cl3 N11 O22 Zn3 -","- C81 H70 Cl3 N11 O22 Zn3 -","- C324 H280 Cl12 N44 O88 Zn12 -","4","1","","Badetti, Elena; Carmo dos Santos, Nadia Alessandra; Scaramuzzo, Francesca A.; Bravin, Carlo; Wurst, Klaus; Licini, Giulia; Zonta, Cristiano","Diasteroselective multi-component assemblies from dynamic covalent imine condensation and metal-coordination chemistry: mechanism and narcissistic stereochemistry self-sorting","RSC Advances","2018","8","35","19494","","10.1039/C8RA03989E","","","0.71073","MoKα","","0.0887","0.0555","","","0.1257","0.1408","","","","","","1.036","","","","has coordinates,has disorder","208021","2020-10-21","18:00:00",""
"7230799","10.2134","0.0001","18.2798","0.0002","19.5856","0.0003","90","","90","","90","","3656.61","0.08","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C184 H152 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0386","0.0352","","","0.0845","0.0891","","","","","","1.044","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230800","19.207","0.0005","10.1247","0.0003","19.7884","0.0005","90","","90","","90","","3848.15","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N3 O -","- C23 H18 Br N3 O -","- C184 H144 Br8 N24 O8 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0371","0.0365","","","0.0939","0.0945","","","","","","1.027","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230801","28.8295","0.0007","4.6762","0.0001","20.3019","0.0005","90","","117.376","0.0006","90","","2430.44","0.1","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C120 H112 N16 O16 -","8","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0374","0.0365","","","0.0927","0.0935","","","","","","1.061","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230802","6.6642","0.0002","7.5948","0.0002","12.0893","0.0003","86.257","0.0007","87.5435","0.0007","79.1977","0.0007","599.46","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C30 H24 N4 O4 -","2","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0366","0.0355","","","0.0925","0.0936","","","","","","1.055","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230803","10.3326","0.0002","20.1095","0.0004","22.0811","0.0004","90","","95.5803","0.0008","90","","4566.34","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 Cl2 N6 O3 -","- C49 H42 Cl2 N6 O3 -","- C196 H168 Cl8 N24 O12 -","4","1","","Akula, Pavan Sudheer; Hong, Bor-Cherng; Lee, Gene-Hsiang","Visible-light-induced C(sp3)‒H activation for a C‒C bond forming reaction of 3,4-dihydroquinoxalin-2(1H)-one with nucleophiles using oxygen with a photoredox catalyst or under catalyst-free conditions","RSC Advances","2018","8","35","19580","","10.1039/C8RA03259A","","","1.54178","CuKα","","0.0539","0.0453","","","0.1194","0.1311","","","","","","1.034","","","","has coordinates","208023","2020-10-21","18:00:00",""
"7230804","10.3635","0.0002","16.879","0.0004","15.2483","0.0003","90","","90","","90","","2667.32","0.1","120","","120","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H38 Mg N4 O2 -","- C28 H38 Mg N4 O2 -","- C112 H152 Mg4 N16 O8 -","4","0.5","","Pousaneh, Elaheh; Rüffer, Tobias; Assim, Khaybar; Dzhagan, Volodymyr; Noll, Julian; Zahn, Dietrich R. T.; Mertens, Lutz; Mehring, Michael; Schulz, Stefan E.; Lang, Heinrich","Magnesium β-ketoiminates as CVD precursors for MgO formation","RSC Advances","2018","8","35","19668","","10.1039/C8RA01851K","","","1.54184","CuKα","","0.0483","0.0448","","","0.11","0.1124","","","","","","1.08","","","","has coordinates,has disorder","208024","2020-10-21","18:00:00",""
"7230805","20.7011","0.0017","6.2155","0.0004","18.0683","0.0013","90","","90","","90","","2324.8","0.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","3-({3-[(3-Hydroxy-naphthalen-2-ylmethylene)-amino]-naphthalen-2-ylamino}-methylene)-3<i>H</i>-naphthalen-2-one","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Rahman, Mohammed M.; Sheikh, Tahir Ali; El-Shishtawy, Reda M.; Arshad, Muhammad Nadeem; Al-Zahrani, Fatimah A. M.; Asiri, Abdullah M.","Fabrication of Sb3+ sensor based on 1,1′-(-(naphthalene-2,3-diylbis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-ol)/nafion/glassy carbon electrode assembly by electrochemical approach","RSC Advances","2018","8","35","19754","","10.1039/C8RA01827H","","","0.71073","MoKα","","0.1126","0.0543","","","0.1103","0.1369","","","","","","1.042","","","","has coordinates","208025","2020-10-21","18:00:00",""
"7230806","14.5906","0.0001","14.5906","0.0001","32.7775","0.0005","90","","90","","120","","6043","0.11","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0422333 Pb -","- C36 H180 I72 N36 O0.7602 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0399","0.0315","","","0.0364","0.0378","","","","1.66","1.66","1.49","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230807","14.5645","0.0001","14.5645","0.0001","32.7195","0.0004","90","","90","","120","","6010.75","0.09","293","","293","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H10 I4 N2 O0.042 Pb -","- C2 H10 I4 N2 O0.0423333 Pb -","- C36 H180 I72 N36 O0.762 Pb18 -","18","1","","Glushkova, Anastasiia; Arakcheeva, Alla; Pattison, Philip; Kollár, Márton; Andričević, Pavao; Náfrádi, Bálint; Forró, László; Horváth, Endre","Influence of the organic cation disorder on photoconductivity in ethylenediammonium lead iodide, NH3CH2CH2NH3PbI4","CrystEngComm","2018","20","25","3543","","10.1039/C8CE00259B","","x-ray","0.7129","synchrotron","","0.0448","0.0389","","","0.0467","0.048","","","","2","2","1.85","","","","has coordinates","229035","2020-10-21","18:00:00",""
"7230808","5.7015","0.0005","8.4154","0.0008","10.3538","0.0008","90","","90.374","0.003","90","","496.77","0.07","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","succinic acid","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C16 H24 O16 -","4","0.5","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","0.71073","MoKα","","0.0734","0.0472","","","0.0818","0.0887","","","","","","1.095","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230809","11.3126","0.0005","5.5869","0.0003","9.6891","0.0004","90","","92.866","0.002","90","","611.61","0.05","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","mono-methyl hydrogen succinate","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","1","","Lucaioli, Paolo; Nauha, Elisa; Gimondi, Ilaria; Price, Louise S.; Guo, Rui; Iuzzolino, Luca; Singh, Ishwar; Salvalaglio, Matteo; Price, Sarah L.; Blagden, Nicholas","Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction","CrystEngComm","2018","20","28","3971","","10.1039/C8CE00625C","","","1.54178","CuKα","","0.0598","0.0524","","","0.1194","0.1219","","","","","","1.257","","","","has coordinates","228880","2020-10-21","18:00:00",""
"7230810","11.453","0.005","7.332","0.003","10.107","0.005","90","","90","","90","","848.7","0.7","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 Cl4 Fe N -","- C H6 Cl4 Fe N -","- C4 H24 Cl16 Fe4 N4 -","4","0.5","","Yin, Jie; Shi, Shaozhen; Wei, Jiazhen; He, Guohang; Fan, Lin; Guo, Junxue; Zhang, Kaixuan; Xu, Wenli; Yuan, Cang; Wang, Yunying; Wang, Liwen; Pu, Xipeng; Li, Wenzhi; Zhang, Dafeng; Wang, Jie; Ren, Xiaozhen; Ma, Huiyan; Shao, Xin; Zhou, Huawei","Earth-abundant and environment friendly organic‒inorganic hybrid tetrachloroferrate salt CH3NH3FeCl4: structure, adsorption properties and photoelectric behavior","RSC Advances","2018","8","36","19958","","10.1039/C8RA03498B","","","0.71073","MoKα","","0.0615","0.0393","","","0.0971","0.1092","","","","","","1.069","","","","has coordinates","208046","2020-10-21","18:00:00",""
"7230811","11.9094","0.0003","15.1853","0.0003","18.4828","0.0005","88.647","0.002","78.856","0.002","74.191","0.002","3154.01","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76.005 N4 Ni4 O12 -","- C136 H152.01 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0602","0.0422","","","0.0974","0.1073","","","","","","1.043","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230812","14.847","0.0006","15.4487","0.0004","16.1018","0.0006","93.526","0.003","107.126","0.004","93.972","0.003","3508","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H90 N4 Ni4 O12 -","- C75 H87 N4 Ni4 O12 -","- C150 H174 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0944","0.0581","","","0.1425","0.1658","","","","","","1.063","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230813","12.2971","0.0005","15.3346","0.0005","18.3875","0.0006","87.653","0.003","76.413","0.003","73.288","0.003","3226.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 N4 Ni4 O12 -","- C71 H82 N4 Ni4 O12 -","- C142 H164 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1201","0.0651","","","0.1431","0.1666","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230814","12.2447","0.0017","15.152","0.002","18.04","0.003","86.793","0.011","81.407","0.012","74.996","0.012","3196.1","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H78 N4 Ni4 O12 -","- C69 H78 N4 Ni4 O12 -","- C138 H156 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.1227","0.0734","","","0.1586","0.1852","","","","","","0.992","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230815","14.9036","0.0004","15.4605","0.0003","16.1648","0.0004","93.592","0.002","106.783","0.002","94.242","0.002","3542.43","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H97 N4 Ni4 O12 -","- C76 H83 N4 Ni4 O12 -","- C152 H166 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0797","0.0532","","","0.136","0.1551","","","","","","1.046","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230816","21.5244","0.0003","20.8865","0.0003","14.2593","0.0002","90","","98.504","0.002","90","","6340.06","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H76 N4 Ni4 O12 -","- C68 H76 N4 Ni4 O12 -","- C272 H304 N16 Ni16 O48 -","4","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.0707","0.0448","","","0.0932","0.1037","","","","","","1.051","","","","has coordinates,has disorder","228910","2020-10-21","18:00:00",""
"7230817","12.5096","0.0004","15.2713","0.0006","18.3851","0.0009","88.708","0.004","76.212","0.004","74.125","0.003","3277.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 N4 Ni4 O12 -","- C72 H84 N4 Ni4 O12 -","- C144 H168 N8 Ni8 O24 -","2","1","","Torić, Filip; Pavlović, Gordana; Pajić, Damir; Cindrić, Marina; Zadro, Krešo","Tetranuclear Ni4 cubane complexes with high χT maxima: magneto-structural analysis","CrystEngComm","2018","20","27","3917","","10.1039/C8CE00566D","","","0.71073","MoKα","","0.06","0.0417","","","0.0986","0.1095","","","","","","1.043","","","","has coordinates","228910","2020-10-21","18:00:00",""
"7230818","9.54533","0.00014","14.9685","0.0002","17.9615","0.0003","90","","90","","90","","2566.33","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Fluorobenzathiazole aniline","Fluorobenzathiazole aniline","","- C14 H13 F N2 O S -","- C14 H13 F N2 O S -","- C112 H104 F8 N16 O8 S8 -","8","1","","Hughes, Eleri; Griffin, John M.; Coogan, Michael P.; Middleton, David A.","Average orientation of a fluoroaromatic molecule in lipid bilayers from DFT-informed NMR measurements of <sup>1</sup>H-<sup>19</sup>F dipolar couplings.","Physical chemistry chemical physics : PCCP","2018","20","27","18207","18215","10.1039/c8cp01064a","","x-ray","1.54184","CuKα","","0.0396","0.0379","","","0.1072","0.1089","","","","","","1.06","","","","has coordinates","230905","2020-10-21","18:00:00",""
"7230819","25.89","0.005","18.024","0.005","18.699","0.005","90","","127.821","0.005","90","","6893","3","200","2","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H76 N6 O12 Zn -","- C78 H76 N6 O12 Zn -","- C312 H304 N24 O48 Zn4 -","4","0.5","","Soury, Raoudha; Jabli, Mahjoub; Saleh, Tawfik A.; Abdul-Hassan, Wathiq Sattar; Saint-Aman, Eric; Loiseau, Frédérique; Philouze, Christian; Nasri, Habib","Tetrakis(ethyl-4(4-butyryl)oxyphenyl)porphyrinato zinc complexes with 4,4′-bpyridin: synthesis, characterization, and its catalytic degradation of Calmagite","RSC Advances","2018","8","36","20143","","10.1039/C8RA01134F","","x-ray","0.71073","MoKα","","0.113","0.0798","","","0.2129","0.2634","","","","","","1.119","","","","has coordinates,has disorder","208090","2020-10-21","18:00:00",""
"7230820","7.7651","0.0006","16.4066","0.0012","14.1404","0.0015","90","","90","","90","","1801.5","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 O5 S -","- C22 H16 O5 S -","- C88 H64 O20 S4 -","4","1","","Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg","Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide","Green Chemistry","2018","20","13","3059","","10.1039/C8GC00838H","","","0.71073","MoKα","","0.0359","0.0299","","","0.0632","0.0647","","","","","","0.976","","","","has coordinates","230102","2020-10-21","18:00:00",""
"7230821","12.8859","0.0012","5.6317","0.0003","25.025","0.002","90","","92.804","0.008","90","","1813.9","0.2","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C21 H13 Cl O4 S -","- C21 H13 Cl O4 S -","- C84 H52 Cl4 O16 S4 -","4","2","","Chen, Zhengkai; Liu, Nai-Wei; Bolte, Michael; Ren, Hongjun; Manolikakes, Georg","Visible-light mediated 3-component synthesis of sulfonylated coumarins from sulfur dioxide","Green Chemistry","2018","20","13","3059","","10.1039/C8GC00838H","","","0.71073","MoKα","","0.086","0.0708","","","0.1858","0.1986","","","","","","0.954","","","","has coordinates","230102","2020-10-21","18:00:00",""
"7230822","15.5941","0.0004","25.2063","0.0006","17.8185","0.0004","90","","90","","90","","7003.9","0.3","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H40 Cl2 N2 O8 -","- C39 H40 Cl2 N2 O8 -","- C312 H320 Cl16 N16 O64 -","8","1","","Ikai, Tomoyuki; Nagata, Naoya; Awata, Seiya; Wada, Yuya; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Optically active distorted cyclic triptycenes: chiral stationary phases for HPLC","RSC Advances","2018","8","37","20483","","10.1039/C8RA04434A","","","1.54178","CuKα","","0.0424","0.0403","","","0.1031","0.1047","","","","","","1.06","","","","has coordinates,has disorder","208126","2020-10-21","18:00:00",""
"7230823","28.625","0.005","16.4514","0.0014","16.8783","0.001","90","","90","","90","","7948.4","1.6","295","","295","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H16 Cl2 Co F16 I4 N4 -","- C28 H16 Cl2 Co F16 I4 N4 -","- C224 H128 Cl16 Co8 F128 I32 N32 -","8","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0671","0.0328","","","0.0623","0.0665","","","","","","0.8","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230824","16.5798","0.0017","15.3912","0.0009","16.652","0.002","90","","119.758","0.016","90","","3688.9","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0551","0.0302","","","0.0591","0.0619","","","","","","0.836","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230825","13.4604","0.0009","23.4681","0.0015","9.7735","0.0009","90","","102.252","0.007","90","","3017","0.4","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C120 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1068","0.0474","","","0.0623","0.0795","","","","","","0.996","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230826","14.5049","0.0005","8.5031","0.0004","30.2853","0.0013","90","","90","","90","","3735.3","0.3","295","","295","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C32 H16 Cl2 Co F8 I4 N4 -","- C32 H16 Cl2 Co F8 I4 N4 -","- C128 H64 Cl8 Co4 F32 I16 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0494","0.0288","","","0.0551","0.0577","","","","","","0.858","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230827","7.9892","0.0004","13.5176","0.0007","33.897","0.002","90","","92.075","0.005","90","","3658.3","0.3","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H16 Cl2 Co F10 I2 N4 -","- C36 H16 Cl2 Co F10 I2 N4 -","- C144 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0563","0.0338","","","0.0534","0.0598","","","","","","1.053","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230828","13.7036","0.0012","15.5273","0.001","15.8979","0.0011","90","","111.746","0.009","90","","3142","0.5","295","","295","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C28 H16 Cl2 Co F8 I2 N4 -","- C28 H16 Cl2 Co F8 I2 N4 -","- C112 H64 Cl8 Co4 F32 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0713","0.0599","","","0.1486","0.1582","","","","","","1.074","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230829","8.2507","0.0006","12.9627","0.0013","32.399","0.002","90","","92.121","0.006","90","","3462.7","0.5","295","","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Cl2 Co F10 I2 N4 -","- C32 H16 Cl2 Co F10 I2 N4 -","- C128 H64 Cl8 Co4 F40 I8 N16 -","4","0.5","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0566","0.045","","","0.0702","0.0736","","","","","","1.172","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230830","7.8226","0.0006","25.788","0.002","14.3532","0.0009","90","","99.146","0.007","90","","2858.6","0.4","295","","295","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.107","0.0474","","","0.0812","0.106","","","","","","0.911","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230831","12.687","0.0008","14.1661","0.001","16.011","0.0012","90","","104.732","0.007","90","","2783","0.3","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Cl2 Co F4 I2 N4 -","- C26 H16 Cl2 Co F4 I2 N4 -","- C104 H64 Cl8 Co4 F16 I8 N16 -","4","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0982","0.0476","","","0.0759","0.0938","","","","","","0.995","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230832","8.5903","0.0005","12.701","0.0007","16.295","0.0011","69.852","0.006","88.6","0.005","84.665","0.005","1661.79","0.19","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Cl2 Co F3 I3 N4 O -","- C28 H22 Cl2 Co F3 I3 N4 O -","- C56 H44 Cl4 Co2 F6 I6 N8 O2 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.1091","0.035","","","0.0417","0.0478","","","","","","0.646","","","","has coordinates,has disorder","228977","2020-10-21","18:00:00",""
"7230833","9.576","0.0004","13.1124","0.0006","21.2891","0.001","100.877","0.004","99.44","0.004","96.238","0.004","2562.5","0.2","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H16 Cl2 Co F9 I9 N4 -","- C42 H16 Cl2 Co F9 I9 N4 -","- C84 H32 Cl4 Co2 F18 I18 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0858","0.0485","","","0.0973","0.1161","","","","","","1.028","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230834","8.1204","0.0007","13.9649","0.0008","14.147","0.0007","99.902","0.004","100.089","0.005","105.734","0.006","1478.96","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 Cl2 Co F4 I2 N4 -","- C30 H16 Cl2 Co F4 I2 N4 -","- C60 H32 Cl4 Co2 F8 I4 N8 -","2","1","","Lisac, Katarina; Cinčić, Dominik","Simple design for metal-based halogen-bonded cocrystals utilizing the M‒Cl⋯I motif","CrystEngComm","2018","20","39","5955","","10.1039/C8CE00754C","","","0.71073","MoKα","","0.0735","0.0382","","","0.0696","0.0744","","","","","","0.806","","","","has coordinates","228977","2020-10-21","18:00:00",""
"7230835","20.6757","0.0004","10.9903","0.0002","11.8544","0.0002","90","","90","","90","","2693.7","0.08","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C18 H44 N4 O P2 S Se2 -","- C18 H44 N4 O P2 S Se2 -","- C72 H176 N16 O4 P8 S4 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0224","0.0187","","","0.0442","0.0456","","","","","","1.024","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230836","50.3437","0.0018","17.142","0.0005","10.2119","0.0003","90","","90","","90","","8812.8","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C57 H138 N18 O3 P6 Se6 -","- C57 H138 N18 O3 P6 Se6 -","- C228 H552 N72 O12 P24 Se24 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0403","0.0293","","","0.0556","0.0586","","","","","","1.013","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230837","10.6563","0.0006","11.7263","0.0006","21.0354","0.001","90","","91.8","0.002","90","","2627.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H41 N5 P2 Se2 -","- C18 H41 N5 P2 Se2 -","- C72 H164 N20 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.1048","0.0521","","","0.1108","0.1343","","","","","","1.06","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230838","21.8437","0.0006","10.7274","0.0003","11.5787","0.0004","90","","90","","90","","2713.19","0.14","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N5 O P2 Se2 -","- C19 H44 N5 O P2 Se2 -","- C76 H176 N20 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0278","0.0223","","","0.0509","0.0527","","","","","","1.073","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230839","9.151","0.0002","16.1119","0.0003","11.5547","0.0002","90","","112.908","0.0007","90","","1569.26","0.05","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H38 Br2 F4 N4 P2 Se2 -","- C22 H37.5 Br2 F4 N4 P2 Se2 -","- C44 H75 Br4 F8 N8 P4 Se4 -","2","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0321","0.0235","","","0.0499","0.0521","","","","","","1.027","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230840","17.5948","0.0003","17.2259","0.0003","18.9346","0.0004","90","","91.9478","0.0008","90","","5735.5","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H46 N6 O P2 Se2 -","- C19 H46 N6 O P2 Se2 -","- C152 H368 N48 O8 P16 Se16 -","8","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0685","0.0347","","","0.0625","0.0722","","","","","","1.004","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230841","11.2306","0.0005","15.1878","0.0006","15.8046","0.0006","90","","107.635","0.0014","90","","2569.07","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H42 N4 O P2 Se2 -","- C17 H42 N4 O P2 Se2 -","- C68 H168 N16 O4 P8 Se8 -","4","1","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0826","0.0406","","","0.078","0.0898","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230842","16.1729","0.0003","23.0961","0.0003","33.2406","0.0005","90","","90","","90","","12416.4","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H51 N7 P2 Se2 -","- C21 H51 N7 P2 Se2 -","- C336 H816 N112 P32 Se32 -","16","2","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0904","0.0412","","","0.0694","0.0842","","","","","","1.007","","","","has coordinates","228981","2020-10-21","18:00:00",""
"7230843","20.57","0.003","11.104","0.002","12.117","0.002","90","","90","","90","","2767.6","0.8","240","2","240","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H44 N4 O P2 Se2 -","- C19 H43 N4 O P2 Se2 -","- C76 H172 N16 O4 P8 Se8 -","4","0.5","","Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe","cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks","CrystEngComm","2018","20","39","5998","","10.1039/C8CE00395E","","","0.71073","MoKα","","0.0785","0.0384","","","0.0849","0.1037","","","","","","0.984","","","","has coordinates,has disorder","228981","2020-10-21","18:00:00",""
"7230844","7.6381","0.0005","8.0021","0.0005","8.1572","0.0005","109.201","0.004","105.966","0.004","109.054","0.004","402.13","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C16 H6 I2 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0382","0.0368","","","0.0918","0.0928","","","","","","1.059","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230845","6.9085","0.0006","7.7205","0.0005","9.6719","0.0007","93.192","0.003","110.609","0.004","94.05","0.003","479.86","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C16 H4 I4 N4 -","2","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0617","0.0586","","","0.1776","0.1784","","","","","","1.159","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230846","7.9954","0.0006","15.2187","0.0011","7.5106","0.0005","90","","116.649","0.004","90","","816.81","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phthalonitrile","","","- C8 H3 I N2 -","- C8 H3 I N2 -","- C32 H12 I4 N8 -","4","1","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0486","0.0403","","","0.1021","0.1067","","","","","","1.054","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230847","21.305","0.007","4.1552","0.0014","21.526","0.007","90","","95.091","0.009","90","","1898.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phthalonitrile","","","- C8 H2 I2 N2 -","- C8 H2 I2 N2 -","- C64 H16 I16 N16 -","8","2","","Ateş, Özge Dilara; Zorlu, Yunus; Kanmazalp, Sibel Demir; Chumakov, Yurii; Gürek, Ayşe Gül; Ayhan, Mehmet Menaf","Halogen bonding driven crystal engineering of iodophthalonitrile derivatives","CrystEngComm","2018","20","27","3858","","10.1039/C8CE00594J","","","0.71073","MoKα","","0.0999","0.0682","","","0.1604","0.1788","","","","","","0.982","","","","has coordinates","228912","2020-10-21","18:00:00",""
"7230848","8.411","0.003","15.202","0.005","26.348","0.009","86.9","0.016","89.438","0.015","84.427","0.017","3348","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H51 N3 -","- C42 H51 N3 -","- C168 H204 N12 -","4","2","","Reig, Marta; Bagdziunas, Gintautas; Ramanavicius, Arunas; Puigdollers, Joaquim; Velasco, Dolores","Interface engineering and solid-state organization for triindole-based p-type organic thin-film transistors.","Physical chemistry chemical physics : PCCP","2018","20","26","17889","17898","10.1039/c8cp02963f","","","0.71073","MoKα","","0.2746","0.0795","","","0.1683","0.2293","","","","","","0.866","","","","has coordinates,has disorder","230915","2020-10-21","18:00:00",""
"7230849","11.962","0.006","32.625","0.016","15.124","0.008","90","","93.619","0.008","90","","5891","5","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C96 H60 O -","- C96 H60 O1.856 -","- C192 H120 O3.712 -","2","0.5","","Mei, Peifeng; Matsumoto, Akinobu; Hayashi, Hironobu; Suzuki, Mitsuharu; Aratani, Naoki; Yamada, Hiroko","1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot Suzuki‒Miyaura coupling and the complex of the hexamer with C60","RSC Advances","2018","8","37","20872","","10.1039/C8RA03601B","","","0.71073","MoKα","","0.1996","0.1193","","","0.3092","0.339","","","","","","1.109","","","","has coordinates,has disorder","208184","2020-10-21","18:00:00",""
"7230850","11.11","0.005","14.775","0.006","17.361","0.007","94.214","0.007","94.286","0.007","101.721","0.007","2771","2","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C180 H80 Cl4 -","- C180 H80 Cl4 -","- C180 H80 Cl4 -","1","0.5","","Mei, Peifeng; Matsumoto, Akinobu; Hayashi, Hironobu; Suzuki, Mitsuharu; Aratani, Naoki; Yamada, Hiroko","1,3-Phenylene-bridged naphthalene wheels synthesized by one-pot Suzuki‒Miyaura coupling and the complex of the hexamer with C60","RSC Advances","2018","8","37","20872","","10.1039/C8RA03601B","","","0.71073","MoKα","","0.15","0.0691","","","0.1522","0.2025","","","","","","1.036","","","","has coordinates,has disorder","208184","2020-10-21","18:00:00",""
"7230851","9.4289","0.0007","38.395","0.003","9.9447","0.0007","90","","107.876","0.001","90","","3426.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetracarbonyl-bis(triphenylphosphine)-molybdenum","","- C40 H30 Mo O4 P2 -","- C40 H30 Mo O4 P2 -","- C160 H120 Mo4 O16 P8 -","4","1","","Tshabang, Never; Makgatle, Gaone P.; Bourne, Susan A.; Kann, Nina; Evans, Jack D.; Coudert, François-Xavier; Öhrström, Lars","Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals","CrystEngComm","2018","20","35","5137","","10.1039/C8CE00337H","","","0.71073","MoKα","","0.0627","0.0392","","","0.0771","0.0857","","","","","","1.016","","","","has coordinates","229128","2020-10-21","18:00:00",""
"7230852","10.9175","0.0002","11.1262","0.0002","11.6716","0.0002","92.504","0.001","96.84","0.001","91.789","0.001","1405.37","0.04","563","2","563","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C64 H52 Br4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0699","0.0362","","","0.0844","0.096","","","","","","0.958","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230853","10.902","0.0005","11.0152","0.0005","11.5729","0.0005","80.9869","0.0012","89.8172","0.0012","88.0995","0.0014","1371.85","0.11","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C64 H52 Cl4 N4 O4 -","2","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0636","0.0402","","","0.0906","0.1034","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230854","18.9319","0.0013","9.4899","0.0006","14.4526","0.001","90","","90","","90","","2596.6","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H26 Cl2 N2 O2 -","- C32 H26 Cl2 N2 O2 -","- C128 H104 Cl8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.0801","0.0532","","","0.0962","0.107","","","","","","1.027","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230855","17.251","0.002","9.2852","0.0011","17.34","0.002","90","","97.35","0.003","90","","2754.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Br2 N2 O2 -","- C32 H26 Br2 N2 O2 -","- C128 H104 Br8 N8 O8 -","4","1","","Grobelny, Anna L.; Rath, Nigam P.; Groeneman, Ryan H.","Varying the regiochemistry of a [2 + 2] cycloaddition reaction within isostructural hydrogen bonded cocrystals containing 4-stilbazole","CrystEngComm","2018","20","28","3951","","10.1039/C8CE00447A","","","0.71073","MoKα","","0.1206","0.0693","","","0.1532","0.1735","","","","","","1.06","","","","has coordinates","228881","2020-10-21","18:00:00",""
"7230856","10.536","0.002","10.734","0.0014","10.9542","0.0019","88.266","0.012","64.71","0.02","82.158","0.014","1109.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","- C46.6 H28 Cl2 Co N8 O10.6 -","1","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","1.54178","CuKα","","0.0707","0.0601","","","0.1802","0.2016","","","","","","1.057","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230857","17.0537","0.0005","13.2958","0.0004","15.2889","0.0004","90","","103.065","0.003","90","","3376.91","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33.8 H21 Co N8 O12.8 -","- C33.8 H21 Co N8 O12.8 -","- C135.2 H84 Co4 N32 O51.2 -","4","1","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.0766","0.0426","","","0.0885","0.0929","","","","","","1.084","","","","has coordinates","228915","2020-10-21","18:00:00",""
"7230858","16.409","0.0008","27.965","0.002","12.6898","0.0008","90","","106.692","0.006","90","","5577.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C99 H69 Cl15 Co2 N20 O18 S4 -","- C198 H138 Cl30 Co4 N40 O36 S8 -","2","0.5","","Li, Guo-Bi; Yang, Qing-Yuan; Pan, Rong-Kai; Liu, Sheng-Gui","Diverse cobalt(ii) coordination polymers for water/ethanol separation and luminescence for water sensing applications","CrystEngComm","2018","20","27","3891","","10.1039/C8CE00709H","","","0.71073","MoKα","","0.1693","0.1352","","","0.2592","0.2735","","","","","","1.078","","","","has coordinates,has disorder","228915","2020-10-21","18:00:00",""
"7230859","9.5173","0.0005","13.2143","0.0007","20.6062","0.001","105.758","0.004","92.806","0.004","107.008","0.005","2361.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","OxoSpiro-Chlorin","8-oxo-7-spiro((3,6-dipirydin-2-yl)-2,5-dihydro-1,2,4-triazinyl)5,10,15,20-tetraphenyl chlorin","","- C57 H39 Cl2 N9 O -","- C57 H39 Cl2 N9 O -","- C114 H78 Cl4 N18 O2 -","2","1","","Śniechowska, Justyna; Paluch, Piotr; Pawlak, Tomasz; Bujacz, Grzegorz D.; Danikiewicz, Witold; Potrzebowski, Marek J.","New synthetic pathway leading to oxospirochlorins","RSC Advances","2018","8","38","21354","","10.1039/C8RA02445F","","x-ray","1.54184","CuKα","","0.1109","0.0751","","","0.202","0.2445","","","","","","1.026","","","","has coordinates,has disorder","208298","2020-10-21","18:00:00",""
"7230860","16.6173","0.0002","11.1707","0.0001","12.4074","0.0002","90","","90","","90","","2303.15","0.05","100","2","100","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C13 H13 N5 -","- C13 H13 N5 -","- C104 H104 N40 -","8","1","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines","RSC Advances","2018","8","38","21495","","10.1039/C8RA03703E","","x-ray","1.54178","CuKα","","0.0337","0.0317","","","0.0832","0.0854","","","","","","1.036","","","","has coordinates","208299","2020-10-21","18:00:00",""
"7230861","10.7534","0.0002","11.8995","0.0002","12.1124","0.0003","71.918","0.002","68.962","0.002","78.712","0.002","1368.92","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H17 N5 -","- C15 H17 N5 -","- C60 H68 N20 -","4","2","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A one-pot, multicomponent reaction for the synthesis of novel 2-alkyl substituted 4-aminoimidazo[1,2-a][1,3,5]triazines","RSC Advances","2018","8","38","21495","","10.1039/C8RA03703E","","x-ray","1.54178","CuKα","","0.0369","0.0343","","","0.0899","0.0923","","","","","","1.029","","","","has coordinates","208299","2020-10-21","18:00:00",""
"7230862","24.0818","0.0008","24.0818","0.0008","13.5997","0.0009","90","","90","","90","","7886.9","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C38 H38 Cl Eu N4 O12 -","- C38 H30 Cl Eu N4 O12 -","- C304 H240 Cl8 Eu8 N32 O96 -","8","0.5","","Huang, Yong-Qing; Chen, Huai-Ying; Wang, Yang; Ren, Yong-He; Li, Zong-Ge; Li, Lu-Chao; Wang, Yan","A channel-structured Eu-based metal‒organic framework with a zwitterionic ligand for selectively sensing Fe3+ ions","RSC Advances","2018","8","38","21444","","10.1039/C8RA02809E","","","0.71073","MoKα","","0.0412","0.0306","","","0.0815","0.087","","","","","","1.059","","","","has coordinates","208300","2020-10-21","18:00:00",""
"7230863","10.2664","0.0008","17.7456","0.0011","22.3759","0.0014","85.142","0.004","86.718","0.004","88.258","0.004","4053.9","0.5","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","{[Cd(NH3)5]2[Cd(NH3)4]3[Re3Mo3Se8(CN)6]2}Â.5H2O","","- C12 H66 Cd5 Mo6 N34 O5 Re6 Se16 -","- C12 H66 Cd5 Mo6.006 N34 O5 Re5.994 Se16 -","- C24 H132 Cd10 Mo12.012 N68 O10 Re11.988 Se32 -","2","1","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.142","0.062","","","0.1149","0.1453","","","","","","0.964","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230864","15.3596","0.0014","15.3596","","15.3897","0.0013","90","","90","","120","","3144.3","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","","","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 I Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 I3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0302","0.0277","","","0.0724","0.0745","","","","","","1.077","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230865","15.0363","0.0008","15.0363","0.0008","15.3935","0.0009","90","","90","","120","","3014","0.3","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Cl","","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C6 H36 Cd3 Cl Mo3 N18 Re3 Se8 -","- C18 H108 Cd9 Cl3 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0363","0.0271","","","0.0672","0.0713","","","","","","1.088","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230866","15.2258","0.001","15.2258","0.001","15.3834","0.0011","90","","90","","120","","3088.5","0.4","150","2","150","2","","","","","","","synthesis as described","8","R -3","-R 3","148","","{[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}Br","","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C6 H36 Br Cd3 Mo3 N18 Re3 Se8 -","- C18 H108 Br3 Cd9 Mo9 N54 Re9 Se24 -","3","","","Muravieva, Viktoria K.; Gayfulin, Yakov M.; Lemoine, Pierric; Cordier, stéphane; Naumov, Nikolay G.","Stabilization of interpenetrating cluster-based frameworks promoted by N-H…X hydrogen bonds: synthesis, structures and properties of {[Cd(NH3)4]3[Re3Mo3Se8(CN)6]}X (X = Cl, Br and I)","CrystEngComm","2018","","","","","10.1039/C8CE00527C","","x-ray","0.71073","MoKα","","0.0176","0.0148","","","0.034","0.0349","","","","","","1.109","","","","has coordinates","208321","2020-10-21","18:00:00",""
"7230867","8.6476","0.0003","15.247","0.0004","20.5679","0.0007","90","","90","","90","","2711.88","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Br2 Cu N8 S -","- C21 H20 Br2 Cu N8 S -","- C84 H80 Br8 Cu4 N32 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0465","0.0442","","","0.1269","0.1294","","","","","","1.082","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230868","8.77","0.0003","14.9616","0.0004","20.7948","0.0006","90","","90","","90","","2728.55","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C21 H24 Br2 Cu N7 O1.5 S -","- C21 H24 Br2 Cu N7 O1.5 S -","- C84 H96 Br8 Cu4 N28 O6 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0564","0.0552","","","0.1563","0.1579","","","","","","1.096","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230869","8.8761","0.0003","15.2703","0.0005","21.1399","0.0011","90","","90","","90","","2865.3","0.2","293","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H26 Br2 Cu N6 O2 S -","- C22 H26 Br2 Cu N6 O2 S -","- C88 H104 Br8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0514","0.046","","","0.1388","0.1473","","","","","","1.09","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230870","8.4816","0.0006","15.3597","0.0017","19.7243","0.0015","90","","90","","90","","2569.6","0.4","112","19","112","19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18.5 H16.25 Br2 Cu N6.75 S -","- C18.5 H16.25 Br2 Cu N6.75 S -","- C74 H65 Br8 Cu4 N27 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0954","0.0843","","","0.2284","0.242","","","","","","1.066","","","","has coordinates,has disorder","228885","2020-10-21","18:00:00",""
"7230871","8.752","0.0002","15.3925","0.0003","20.4584","0.0004","90","","90","","90","","2756.06","0.1","100.01","0.1","100.01","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C20 H24 Br2 Cl2 Cu N6 O2 S -","- C80 H96 Br8 Cl8 Cu4 N24 O8 S4 -","4","1","","Wu, Xiang-Wen; Pan, Feng; Yin, Shi; Ge, Jing-Yuan; Jin, Guo-Xia; Wang, Peng; Ma, Jian-Ping","Solvent-induced structural transformation and magnetic modulation in 1D copper(ii) polymers based on a semi-rigid ligand containing 4-amino-1,2,4-triazole","CrystEngComm","2018","20","28","3955","","10.1039/C8CE00820E","","x-ray","1.54184","CuKα","","0.0442","0.0405","","","0.1083","0.1107","","","","","","1.08","","","","has coordinates","228885","2020-10-21","18:00:00",""
"7230872","7.7414","0.0005","7.7414","0.0005","7.0841","0.0007","90","","90","","120","","367.67","0.05","295","2","295","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","MA2AgInBr6","","","- C2 H12 Ag Br6 In N2 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","- C2.0004 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutrons","","0.0628","0.0545","","","0.1144","0.1202","","","","","","1.041","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230873","7.6324","0.0004","7.6324","","7.0554","0.0006","90","","90","","120","","355.94","0.04","95","2","95","2","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.6","neutron","","0.0352","0.0348","","","0.066","0.0662","","","","","","1.105","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230874","7.6399","0.0011","7.6399","0.0011","7.0651","0.0014","90","","90","","120","","357.13","0.1","95","1","95","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","- C2 H12 Ag Br6 In N2 -","1","0.166667","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","x-ray","0.71073","MoKα","","0.0204","0.0204","","","0.0486","0.0486","","","","","","1.14","","","","has coordinates","228974","2020-10-21","18:00:00",""
"7230875","7.702","0.001","7.702","0.001","7.072","0.001","90","","90","","120","","363.31","0.08","213","2","213","2","","","","","","","","6","P -3 m 1","-P 3 2""","164","","","","- C2 H12 Ag Br6 In N2 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","- C1.0002 H12.0024 Ag Br6 In N2.0004 -","1","0.0833333","","Tran, Thao T.; Quintero, Michael A.; Arpino, Kathryn E.; Kelly, Zachary A.; Panella, Jessica R.; Wang, Xiaoping; McQueen, Tyrel M.","Chemically controlled crystal growth of (CH3NH3)2AgInBr6","CrystEngComm","2018","20","39","5929","","10.1039/C8CE00702K","","","0.71075","MoKα","","0.0246","0.0237","","","0.0569","0.0576","","","","","","1.136","","","","has coordinates,has disorder","228974","2020-10-21","18:00:00",""
"7230876","9.1895","0.0006","10.5129","0.0006","11.6426","0.0008","104.52","0.005","101.61","0.006","108.748","0.006","981.14","0.13","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","- C40 H34 Ag2 F6 N4 O4 P2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.0653","0.0455","","","0.1016","0.1172","","","","","","1.047","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230877","15.6022","0.0006","16.5942","0.0006","16.3829","0.0006","90","","90","","90","","4241.6","0.3","283","2","283","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C37 H35 Ag2 Cl3 N4 O4 P2 S -","- C148 H140 Ag8 Cl12 N16 O16 P8 S4 -","4","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1364","0.0689","","","0.2027","0.2548","","","","","","1.026","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230878","9.3658","0.0019","10.897","0.002","12.166","0.002","104.48","0.03","106.68","0.03","105.64","0.03","1070.8","0.5","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","- C38 H34 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1168","0.1132","","","0.3334","0.3401","","","","","","1.029","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230879","9.2258","0.0009","16.0663","0.0016","15.1632","0.0017","90","","90.09","","90","","2247.6","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Ag N2 O3 P -","- C25 H22 Ag N2 O3 P -","- C100 H88 Ag4 N8 O12 P4 -","4","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1324","0.0741","","","0.1695","0.2095","","","","","","1.032","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230880","15.3788","0.0005","17.2961","0.0006","16.4091","0.0006","90","","90","","90","","4364.7","0.3","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C20 H17 Ag N3 O4 P -","- C20 H17 Ag N3 O4 P -","- C160 H136 Ag8 N24 O32 P8 -","8","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.1056","0.071","","","0.1961","0.2228","","","","","","1.036","","","","has coordinates,has disorder","228879","2020-10-21","18:00:00",""
"7230881","9.5636","0.0006","9.8309","0.0005","13.581","0.0007","97.163","0.004","92.151","0.005","117.293","0.006","1119.35","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Ag N2 O2 P -","- C25 H22 Ag N2 O2 P -","- C50 H44 Ag2 N4 O4 P2 -","2","1","","Xu, Lin-Yan; Yang, Wei; Liu, Chao-Fan; Ren, Zhi-Gang; Lang, Jian-Ping","Assembly of silver-oxo complexes based on N-diphenylphosphanylmethyl-3-aminopyridine and their structures, photocatalysis and photocurrent responses","CrystEngComm","2018","20","28","4049","","10.1039/C8CE00715B","","","0.71073","MoKα","","0.086","0.0505","","","0.0743","0.0892","","","","","","1.072","","","","has coordinates","228879","2020-10-21","18:00:00",""
"7230882","8.9159","0.0018","9.228","0.0019","10.159","0.002","105.035","0.005","98.43","0.005","102.959","0.005","767.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C36 H38 N2 O4 S2 -","2","1","","Herold, Sebastian; Bafaluy, Daniel; Muñiz, Kilian","Anodic benzylic C(sp3)‒H amination: unified access to pyrrolidines and piperidines","Green Chemistry","2018","20","14","3191","","10.1039/C8GC01411F","","","0.71073","MoKα","","0.0476","0.0389","","","0.1008","0.1063","","","","","","1.066","","","","has coordinates","230107","2020-10-21","18:00:00",""
"7230883","39.756","0.004","6.2412","0.0007","31.125","0.003","90","","123.261","0.002","90","","6457.7","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 F6 N O3 S -","- C14 H15 F6 N O3 S -","- C224 H240 F96 N16 O48 S16 -","16","2","","Herold, Sebastian; Bafaluy, Daniel; Muñiz, Kilian","Anodic benzylic C(sp3)‒H amination: unified access to pyrrolidines and piperidines","Green Chemistry","2018","20","14","3191","","10.1039/C8GC01411F","","","0.71073","MoKα","","0.1017","0.0641","","","0.1453","0.1599","","","","","","1.071","","","","has coordinates","230107","2020-10-21","18:00:00",""
"7230884","10.8814","0.0006","16.0497","0.0011","19.4459","0.0013","74.097","0.004","74.566","0.003","72.105","0.003","3046.1","0.3","150","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 N4 O25 Tb2 -","- C54.02 H50.08 N4.01 O25.01 Tb2 -","- C108.04 H100.16 N8.02 O50.02 Tb4 -","2","1","","Ju, Ping; Zhang, Ensheng; Jiang, Long; Zhang, Ze; Hou, Xiangyang; Zhang, Yuqi; Yang, Hua; Wang, Jijiang","A novel microporous Tb-MOF fluorescent sensor for highly selective and sensitive detection of picric acid","RSC Advances","2018","8","39","21671","","10.1039/C8RA02602E","","","0.71073","MoKα","","0.1156","0.0655","","","0.1331","0.1597","","","","","","1.046","","","","has coordinates,has disorder","208335","2020-10-21","18:00:00",""
"7230885","8.5756","0.0001","15.1244","0.0002","18.2776","0.0005","112.516","0.001","99.834","0.004","98.038","0.003","2102.17","0.09","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.23 H82.45 Cl2.45 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","- C85.226 H82.452 Cl2.452 O10 P4 Sn4 -","1","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.7107","MoKα","","0.0427","0.0403","","","0.1016","0.1091","","","","","","1.086","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230886","9.8918","0.001","14.2582","0.0013","39.597","0.003","90","","93.948","0.002","90","","5571.5","0.9","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.87 H87.74 Au4 Cl11.73 O10 P4 Sn4 -","- C87.876 H87.752 Au4 Cl11.752 O10 P4 Sn4 -","- C175.752 H175.504 Au8 Cl23.504 O20 P8 Sn8 -","2","0.5","","Jobbágy, Csaba; Baranyai, Péter; Gömöry, Ágnes; Deák, Andrea","A H-shaped heterometallic Sn4Au4 system with guest-tuneable multicolour and selective luminescence sensing properties","CrystEngComm","2018","20","39","5935","","10.1039/C8CE00652K","","","0.71075","MoKα","","0.0941","0.0686","","","0.1628","0.1782","","","","","","1.073","","","","has coordinates","228985","2020-10-21","18:00:00",""
"7230887","8.9121","0.0004","10.6028","0.0006","10.607","0.0006","107.362","0.002","95.433","0.002","110.176","0.002","875.81","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C36 H42 N2 O12 -","2","1","","Wang, Yinling; Du, Yiman; He, Jianghua; Zhang, Yuetao","Transformation of lignin model compounds to N-substituted aromatics via Beckmann rearrangement","Green Chemistry","2018","20","14","3318","","10.1039/C8GC00920A","","","0.71073","MoKα","","0.0617","0.0476","","","0.1139","0.1232","","","","","","1.017","","","","has coordinates","230105","2020-10-21","18:00:00",""
"7230888","11.417","0.002","12.317","0.003","15.889","0.003","73.446","0.002","79.252","0.002","65.891","0.002","1948.6","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","triethylammonium (m3-hydroxido)(tris-m-pyrazolido)tribenzoato tricopper(II)","","- C36 H43 Cu3 N7 O8 -","- C36 H43 Cu3 N7 O8 -","- C72 H86 Cu6 N14 O16 -","2","1","","Mathivathanan, Logesh; Boudalis, Athanassios K.; Turek, Philippe; Pissas, Michael; Sanakis, Yiannis; Raptis, Raphael G.","Interactions between H-bonded [Cu(μ<sub>3</sub>-OH)] triangles; a combined magnetic susceptibility and EPR study.","Physical chemistry chemical physics : PCCP","2018","20","25","17234","17244","10.1039/c8cp02643b","","","0.71073","MoKα","","0.0505","0.0314","","","0.0776","0.0867","","","","","","0.997","","","","has coordinates","230929","2020-10-21","18:00:00",""
"7230889","7.6089","0.0018","7.2802","0.0017","18.485","0.004","90","","90","","90","","1024","0.4","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 O5 Zn -","- C8 H8 N4 O5 Zn -","- C32 H32 N16 O20 Zn4 -","4","0.5","","Wang, Yan-Qin; Wang, Kun; Gao, En-Qing","Mixed metal CoII1−xZnIIx‒organic frameworks based on chains with mixed carboxylate and azide bridges: magnetic coupling and slow relaxation","RSC Advances","2018","8","39","22046","","10.1039/C8RA03273D","","","0.71073","MoKα","","0.0834","0.0438","","","0.104","0.1213","","","","","","1.015","","","","has coordinates","208384","2020-10-21","18:00:00",""
"7230890","7.611","0.015","10.47","0.02","10.55","0.02","89.45","0.03","81.87","0.03","76.75","0.03","810","3","298","","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Enhancement of dissipated energy by large bending of an organic single crystal undergoing twinning deformation","RSC Advances","2018","8","39","21933","","10.1039/C8RA02499E","","","0.71073","MoKα","","0.1034","0.0601","","","0.1588","0.1786","","","","","","1.071","","","","has coordinates","208385","2020-10-21","18:00:00",""
"7230891","7.636","0.013","10.426","0.019","10.52","0.018","89.28","0.03","81.8","0.03","76.32","0.03","805","2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","2","","Mir, Sajjad Husain; Takasaki, Yuichi; Engel, Emile R.; Takamizawa, Satoshi","Enhancement of dissipated energy by large bending of an organic single crystal undergoing twinning deformation","RSC Advances","2018","8","39","21933","","10.1039/C8RA02499E","","","0.71073","MoKα","","0.1523","0.1016","","","0.3201","0.3546","","","","","","1.161","","","","has coordinates","208385","2020-10-21","18:00:00",""
"7230892","6.513","0.004","18.564","0.015","14.116","0.007","90","","92.67","0.06","90","","1704.9","1.9","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","Steroid","","","- C40 H60 O6 -","- C40 H60 O6 -","- C80 H120 O12 -","2","1","","Farooq, Rabia; Hussain, Nusrat; Yousuf, Sammer; Atia-tul-Wahab, Atia-tul-Wahab; Ahmad, Malik Shoaib; Atta-ur-Rahman, Atta-ur-Rahman; Choudhary, M. Iqbal","Microbial transformation of mestanolone by Macrophomina phaseolina and Cunninghamella blakesleeana and anticancer activities of the transformed products","RSC Advances","2018","8","39","21985","","10.1039/C8RA01309H","","","1.54178","CuKα","","0.0799","0.0641","","","0.1595","0.1669","","","","","","1.115","","","","has coordinates","208386","2020-10-21","18:00:00",""
"7230893","10.596","0.001","12.337","0.0012","13.722","0.002","90","","102.789","0.013","90","","1749.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1R*,2S*)-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.105","0.0551","","","0.1083","0.1307","","","","","","0.985","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230894","9.2194","0.0006","10.2234","0.0005","17.0821","0.0009","90","","99.026","0.005","90","","1590.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0776","0.0374","","","0.0663","0.072","","","","","","0.802","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230895","20.6565","0.0013","4.9157","0.0003","16.516","0.001","90","","90","","90","","1677.05","0.18","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H19 N5 O4 -","- C16 H19 N5 O4 -","- C64 H76 N20 O16 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0677","0.0386","","","0.0584","0.0627","","","","","","0.806","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230896","10.7168","0.0006","11.1292","0.0005","15.2937","0.0008","90","","106.246","0.006","90","","1751.23","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}cyclohexanecarboxylic acid","","- C19 H21 N5 O3 -","- C19 H21 N5 O3 -","- C76 H84 N20 O12 -","4","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0847","0.05","","","0.0947","0.1024","","","","","","0.925","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230897","10.5625","0.0009","11.9958","0.001","14.2676","0.001","90","","104.793","0.008","90","","1747.9","0.3","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}benzoic acid","","- C19 H15 N5 O3 -","- C19 H15 N5 O3 -","- C76 H60 N20 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1104","0.0713","","","0.1724","0.2033","","","","","","1.036","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230898","10.645","0.001","9.879","0.001","15.864","0.002","90","","92.52","0.01","90","","1666.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinecarbonyl}nicotinic acid","","- C18 H14 N6 O3 -","- C18 H14 N6 O3 -","- C72 H56 N24 O12 -","4","1","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.0769","0.0519","","","0.1058","0.1213","","","","","","1.041","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230899","9.7517","0.0007","21.1933","0.0015","14.2957","0.001","90","","103.149","0.007","90","","2877","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-oxo-4-{2-[pyridin-2-yl(pyridin-2-ylamino)methylidene]hydrazinyl}butanoic acid","","- C15 H15 N5 O3 -","- C15 H15 N5 O3 -","- C120 H120 N40 O24 -","8","2","","Mazur, Liliana; Sączewski, Jarosław; Jarzembska, Katarzyna N.; Szwarc-Karabyka, Katarzyna; Paprocka, Renata; Modzelewska-Banachiewicz, Bożena","Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies","CrystEngComm","2018","20","29","4179","","10.1039/C8CE00701B","","","0.71073","MoKα","","0.1341","0.0645","","","0.1056","0.1283","","","","","","0.996","","","","has coordinates","228876","2020-10-21","18:00:00",""
"7230900","20.275","0.002","10.7573","0.0011","17.3839","0.0017","90","","95.541","0.002","90","","3773.8","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1085","0.0979","","","0.3693","0.3919","","","","","","1.842","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230901","20.0103","0.0008","10.5732","0.0005","17.375","0.0008","90","","96.172","0.001","90","","3654.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Clozapine","","","- C19 H23 Cl N4 O -","- C19 H23 Cl N4 O -","- C152 H184 Cl8 N32 O8 -","8","1","","Verma, Vivek; Bannigan, Pauric; Lusi, Matteo; Crowley, Clare M.; Hudson, Sarah; Hodnett, Benjamin K.; Davern, Peter","The heterogeneous crystallization of a novel solvate of clozapine base in the presence of excipients","CrystEngComm","2018","20","31","4370","","10.1039/C8CE00663F","","","0.71073","MoKα","","0.1061","0.063","","","0.1434","0.172","","","","","","1.075","","","","has coordinates,has disorder","229088","2020-10-21","18:00:00",""
"7230902","9.6735","0.001","9.813","0.001","9.8262","0.0012","102.69","0.003","102.936","0.004","114.855","0.003","771.22","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C42 H30 N2 O4 -","2","1","","Jillella, Raveendra; Oh, Chang Ho","Copper-catalyzed tandem reaction of 2-alkynylanilines with benzoquinones: efficient access to 3-indolylquinones","RSC Advances","2018","8","39","22122","","10.1039/C8RA03712D","","","0.71073","MoKα","","0.0814","0.0662","","","0.1552","0.1615","","","","","","1.004","","","","has coordinates","208410","2020-10-21","18:00:00",""
"7230903","14.081","0.0014","14.4862","0.0011","16.112","0.0015","90","","113.689","0.012","90","","3009.6","0.5","297","2","297","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 O -","- C20 H18 O -","- C160 H144 O8 -","8","1","","Senadi, Gopal Chandru; Wang, Jeh-Jeng","p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C‒O scission strategy","Green Chemistry","2018","20","15","3420","","10.1039/C8GC00749G","","x-ray","0.71073","MoKα","","0.1185","0.0714","","","0.1846","0.2261","","","","","","1.03","","","","has coordinates","230113","2020-10-21","18:00:00",""
"7230904","6.3828","0.0008","10.3101","0.0016","11.896","0.002","104.198","0.014","100.779","0.012","97.652","0.012","732.2","0.2","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C38 H32 O4 -","2","1","","Senadi, Gopal Chandru; Wang, Jeh-Jeng","p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C‒O scission strategy","Green Chemistry","2018","20","15","3420","","10.1039/C8GC00749G","","x-ray","0.71073","MoKα","","0.1215","0.0636","","","0.182","0.2617","","","","","","0.867","","","","has coordinates","230113","2020-10-21","18:00:00",""
"7230905","9.52","0.0017","13.2012","0.002","8.3853","0.0014","90","","112.716","0.019","90","","972.1","0.3","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Senadi, Gopal Chandru; Wang, Jeh-Jeng","p-TsOH promoted synthesis of benzo-fused O-heterocycles from alkynolsviaring contraction and C‒O scission strategy","Green Chemistry","2018","20","15","3420","","10.1039/C8GC00749G","","x-ray","0.71073","MoKα","","0.0995","0.0549","","","0.117","0.1454","","","","","","1.046","","","","has coordinates","230113","2020-10-21","18:00:00",""
"7230906","28.6436","0.0009","28.6436","0.0009","13.5364","0.0005","90","","90","","90","","11106","0.6","100","","100","","","","","","","","","7","I -4","I -4","82","","","","- C53 H44 Cl F6 N4 P3 Ru -","- C53 H44 Cl F6 N4 P3 Ru -","- C424 H352 Cl8 F48 N32 P24 Ru8 -","8","1","","Chakrabarti, Kaushik; Mishra, Anju; Panja, Dibyajyoti; Paul, Bhaskar; Kundu, Sabuj","Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources","Green Chemistry","2018","20","14","3339","","10.1039/C8GC00863A","","","0.71073","MoKα","","0.1039","0.0714","","","0.1913","0.2157","","","","","","1.119","","","","has coordinates","230104","2020-10-21","18:00:00",""
"7230907","8.0024","0.0002","9.6519","0.0003","10.0837","0.0003","102.814","0.001","96.576","0.001","91.473","0.001","753.4","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","monobenzoylpyrene","phenyl(pyren-1-yl)methanone","","- C23 H14 O -","- C23 H14 O -","- C46 H28 O2 -","2","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0511","0.0377","","","0.1208","0.1458","","","","","","1.151","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230908","8.3434","0.0007","6.0678","0.0004","14.7523","0.0012","90","","103.178","0.004","90","","727.18","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H14 O -","- C21 H14 O -","- C42 H28 O2 -","2","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0459","0.0336","","","0.0842","0.0929","","","","","","0.965","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230909","6.215","0.005","12.803","0.005","15.398","0.005","90","0.005","90","0.005","90","0.005","1225.2","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0385","0.0353","","","0.09","0.093","","","","","","1.073","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230910","6.635","0.005","15.315","0.005","19.049","0.005","90","0.005","98.654","0.005","90","0.005","1913.6","1.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O -","- C29 H18 O -","- C116 H72 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.054","0.0357","","","0.085","0.0969","","","","","","1.024","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230911","25.998","0.003","8.5054","0.0012","7.748","0.0011","90","","90","","90","","1713.3","0.4","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0644","0.0471","","","0.1161","0.1271","","","","","","1.058","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230912","14.081","0.005","7.291","0.005","15.214","0.005","90","0.005","106.982","0.005","90","0.005","1493.8","1.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0801","0.0557","","","0.1517","0.1753","","","","","","1.026","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230913","30.059","0.002","30.059","0.002","5.9369","0.0006","90","","90","","90","","5364.2","0.7","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.29 H2.12 Co0.24 N0.24 O1.18 -","- C3.29412 H2.11765 Co0.235294 N0.235294 O1.17647 -","- C224 H144 Co16 N16 O80 -","68","8.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.055","0.0389","","","0.0811","0.086","","","","","","1.009","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230914","30.168","0.003","30.168","0.003","6.0186","0.0008","90","","90","","90","","5477.6","1.1","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C3.2 H2.06 Mn0.23 N0.23 O1.14 -","- C3.2 H2.05714 Mn0.228571 N0.228571 O1.14286 -","- C224 H144 Mn16 N16 O80 -","70","8.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0864","0.0623","","","0.161","0.174","","","","","","0.995","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230915","10.2945","0.0004","10.6512","0.0004","14.9173","0.0006","81.017","0.001","74.262","0.001","86.402","0.001","1554.68","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.4 H2.5 Co0.2 N0.3 O -","- C3.4 H2.5 Co0.2 N0.3 O -","- C68 H50 Co4 N6 O20 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0683","0.0419","","","0.0919","0.1059","","","","","","1.037","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230916","19.532","0.004","8.8486","0.0017","14.171","0.003","90","","98.193","0.006","90","","2424.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.35 H2.71 Co0.19 N0.26 O1.42 -","- C3.35484 H2.70968 Co0.193548 N0.258065 O1.41935 -","- C104 H84 Co6 N8 O44 -","31","7.75","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0848","0.0534","","","0.1277","0.1401","","","","","","1.096","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230917","10.9348","0.0018","11.2863","0.0019","13.509","0.002","74.363","0.006","81.277","0.006","74.499","0.006","1541.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.95 H3.58 N0.21 Ni0.21 O1.68 -","- C2.94737 H3.57895 N0.210526 Ni0.210526 O1.68421 -","- C56 H68 N4 Ni4 O32 -","19","9.5","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1283","0.0669","","","0.1694","0.2073","","","","","","1.039","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230918","11.0005","0.0016","11.3676","0.0017","13.521","0.002","74.175","0.005","81.702","0.005","74.789","0.005","1564.9","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C2.8 H3.4 Co0.2 N0.2 O1.6 -","- C56 H68 Co4 N4 O32 -","20","10","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.0782","0.0514","","","0.1214","0.1339","","","","","","1.042","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230919","23.7839","0.0006","23.7839","0.0006","36.666","0.002","90","","90","","90","","20741","1.4","296","2","296","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C2.22 H2.09 N0.25 Ni0.25 O0.98 -","- C2.21538 H2.09231 N0.246154 Ni0.246154 O0.984615 -","- C576 H544 N64 Ni64 O256 -","260","","","Yue, Qi; Liu, Xu; Guo, Wei-Xiao; Gao, En-Qing","Structural diversity and magnetic properties of Co(II)/Mn(II)/Ni(II) coordination polymers constructed from an unsymmetrical tetracarboxylic acid and varying N-donor ligands","CrystEngComm","2018","","","","","10.1039/C8CE00692J","","","0.71073","MoKα","","0.1139","0.0522","","","0.1238","0.1357","","","","","","0.982","","","","has coordinates","208504","2020-10-21","18:00:00",""
"7230920","22.6151","0.0005","22.6151","0.0005","6.5646","0.0003","90","","90","","90","","3357.42","0.19","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0576","0.0449","","","0.0793","0.0858","","","","","","1.007","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230921","22.2989","0.0005","22.2989","0.0005","6.6471","0.0002","90","","90","","90","","3305.21","0.14","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0309","0.0275","","","0.0537","0.0554","","","","","","1.017","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230922","22.5083","0.0008","22.5083","0.0008","6.5855","0.0004","90","","90","","90","","3336.4","0.3","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0709","0.0532","","","0.0888","0.0982","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230923","22.6482","0.0005","22.6482","0.0005","6.5591","0.0002","90","","90","","90","","3364.43","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0498","0.0453","","","0.1083","0.1121","","","","","","1.053","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230924","22.5635","0.0005","22.5635","0.0005","6.5794","0.0002","90","","90","","90","","3349.65","0.15","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0529","0.0428","","","0.0762","0.0824","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230925","22.7194","0.0019","22.7194","0.0019","6.5611","0.0008","90","","90","","90","","3386.7","0.6","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0511","0.043","","","0.0936","0.0975","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230926","22.7012","0.0019","22.7012","0.0019","6.5603","0.0009","90","","90","","90","","3380.8","0.6","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1497","0.0957","","","0.188","0.2319","","","","","","1.054","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230927","22.6722","0.0006","22.6722","0.0006","6.5648","0.0003","90","","90","","90","","3374.5","0.2","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.062","0.0449","","","0.0709","0.0769","","","","","","1.028","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230928","22.738","0.002","22.738","0.002","6.5434","0.0009","90","","90","","90","","3383","0.6","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0774","0.0641","","","0.1559","0.1663","","","","","","1.045","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230929","22.3673","0.0005","22.3673","0.0005","6.6855","0.0002","90","","90","","90","","3344.73","0.15","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.045","0.0376","","","0.0782","0.0808","","","","","","1.064","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230930","22.37","0.0006","22.37","0.0006","6.6942","0.0003","90","","90","","90","","3349.9","0.2","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0476","0.0388","","","0.0745","0.0776","","","","","","1.066","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230931","22.4172","0.0008","22.4172","0.0008","6.6766","0.0005","90","","90","","90","","3355.2","0.3","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0522","0.0394","","","0.0567","0.0611","","","","","","0.997","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230932","22.739","0.002","22.739","0.002","6.5506","0.0008","90","","90","","90","","3387.1","0.6","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0555","0.0443","","","0.0919","0.0966","","","","","","1.021","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230933","22.3068","0.0003","22.3068","0.0003","6.6532","0.0002","90","","90","","90","","3310.59","0.12","170","2","170","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0346","0.0283","","","0.0428","0.0448","","","","","","0.996","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230934","22.358","0.002","22.358","0.002","6.6738","0.0014","90","","90","","90","","3336.1","0.8","250","2","250","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0957","0.0786","","","0.1671","0.1811","","","","","","1.053","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230935","22.543","0.002","22.543","0.002","6.6249","0.0012","90","","90","","90","","3366.7","0.7","220","2","220","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1381","0.1062","","","0.2114","0.2401","","","","","","1.046","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230936","22.3926","0.0019","22.3926","0.0019","6.6569","0.0013","90","","90","","90","","3338","0.8","240","2","240","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1158","0.0883","","","0.1673","0.1896","","","","","","1.042","","","","has coordinates","228978","2020-10-21","18:00:00",""
"7230937","22.4161","0.0005","22.4161","0.0005","6.6101","0.0003","90","","90","","90","","3321.45","0.18","150","2","150","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0566","0.0456","","","0.0818","0.0881","","","","","","1.038","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230938","22.6358","0.0009","22.6358","0.0009","6.5964","0.0004","90","","90","","90","","3379.9","0.3","200","2","200","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0549","0.0411","","","0.0559","0.0608","","","","","","0.978","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230939","22.5343","0.0009","22.5343","0.0009","6.6415","0.0005","90","","90","","90","","3372.5","0.3","210","2","210","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0543","0.0416","","","0.06","0.0643","","","","","","0.981","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230940","22.7219","0.0011","22.7219","0.0011","6.589","0.0006","90","","90","","90","","3401.8","0.4","175","2","175","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.0871","0.0635","","","0.0985","0.1109","","","","","","1.024","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230941","22.581","0.002","22.581","0.002","6.665","0.0014","90","","90","","90","","3398.5","0.8","230","2","230","2","","","","","","","","5","I -4","I -4","82","","Nitro-(4,4'-dimethoxy-2,2'-bipyridine)-rhenium(I)-tricarbonyl","","- C15 H12 N3 O7 Re -","- C15 H12 N3 O7 Re -","- C120 H96 N24 O56 Re8 -","8","1","","Hatcher, Lauren E.","Understanding solid-state photoswitching in [Re(OMe2-bpy)(CO)3(η1-NO2)] crystals via in situ photocrystallography","CrystEngComm","2018","20","39","5990","","10.1039/C8CE00774H","","","0.71073","MoKα","","0.1282","0.0934","","","0.1922","0.2233","","","","","","1.035","","","","has coordinates,has disorder","228978","2020-10-21","18:00:00",""
"7230942","10.1352","0.0005","13.2429","0.0007","16.5954","0.0008","110.962","0.005","96.295","0.004","91.276","0.004","2062.93","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(3S,10aS)-1-((4-bromophenyl)sulfonyl)-7-methyl-3,4-diphenyl-9-tosyl-3,9,10,10a-tetrahydropyrrolo[2,3-b]carbazol-2(1H)-one","","- C42 H36 Br Cl2 N2 O5.5 S2 -","- C40 H31 Br N2 O5 S2 -","- C80 H62 Br2 N4 O10 S4 -","2","1","","Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu","Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles","Green Chemistry","2018","20","14","3271","","10.1039/C8GC01534A","","x-ray","1.54184","CuKα","","0.2899","0.1978","","","0.4901","0.5161","","","","","","1.981","","","","has coordinates","230106","2020-10-21","18:00:00",""
"7230943","18.5095","0.0015","10.9007","0.0008","10.3745","0.0008","90","","103.857","0.008","90","","2032.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3R,3aS,4R,9aS)-1-(methylsulfonyl)-3,4-diphenyl-3a,4,9,9a-tetrahydro-1H-benzo[f]indol-2(3H)-one","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu","Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles","Green Chemistry","2018","20","14","3271","","10.1039/C8GC01534A","","x-ray","1.54184","CuKα","","0.0881","0.0583","","","0.1418","0.1675","","","","","","1.028","","","","has coordinates","230106","2020-10-21","18:00:00",""
"7230944","11.7246","0.0004","12.2563","0.0006","16.5665","0.0007","90","","98.55","0.004","90","","2354.15","0.17","99.97","0.1","99.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3R,9aS)-3,4-diphenyl-1-tosyl-9,9a-dihydro-1H-benzo[f]indol-2(3H)-one","","- C31 H25 N O3 S -","- C31 H25 N O3 S -","- C124 H100 N4 O12 S4 -","4","1","","Wang, Cai-Ming; Qi, Lin-Jun; Sun, Qing; Zhou, Bo; Zhang, Zhi-Xin; Shi, Zai-Fa; Lin, Shui-Chao; Lu, Xin; Gong, Lei; Ye, Long-Wu","Transition-metal-free oxidative cyclization of N-propargyl ynamides: stereospecific construction of linear polycyclic N-heterocycles","Green Chemistry","2018","20","14","3271","","10.1039/C8GC01534A","","x-ray","1.54184","CuKα","","0.0498","0.043","","","0.1092","0.1149","","","","","","1.035","","","","has coordinates","230106","2020-10-21","18:00:00",""
"7230945","17.0463","0.0015","11.4307","0.0011","18.4621","0.0016","90","","107.898","0.002","90","","3423.3","0.5","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","","Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols","Green Chemistry","2018","20","15","3476","","10.1039/C8GC01034J","","","0.71073","MoKα","","0.1499","0.0645","","","0.1741","0.2243","","","","","","0.993","","","","has coordinates","230115","2020-10-21","18:00:00",""
"7230946","14.9117","0.0012","9.0532","0.0008","16.0374","0.0014","90","","99.025","0.002","90","","2138.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Sha, Hong-Kai; Liu, Feng; Lu, Juan; Liu, Zhang-Qin; Hao, Wen-Juan; Tang, Jia-Le; Tu, Shu-Jiang; Jiang, Bo","Metal-free benzannulation of yne-allenone esters for atom economical synthesis of functionalized 1-naphthols","Green Chemistry","2018","20","15","3476","","10.1039/C8GC01034J","","","0.71073","MoKα","","0.2188","0.1367","","","0.3854","0.4177","","","","","","1.138","","","","has coordinates","230115","2020-10-21","18:00:00",""
"7230947","23.3793","0.0003","7.2329","0.0001","19.5343","0.0003","90","","92.653","0.001","90","","3299.71","0.08","298.87","0.12","298.87","0.12","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 N3 S -","- C21 H15 N3 S -","- C168 H120 N24 S8 -","8","1","","Guo, Xiaolong; Wang, Luyao; Hu, Jing; Zhang, Mengmeng","CuI nanoparticle-catalyzed synthesis of tetracyclic benzo[e]benzo[4,5]imidazo[1,2-c][1,3]thiazin-6-imine heterocycles by SNAr-type C‒S, C‒N bond formation from isothiocyanatobenzenes and benzimidazoles","RSC Advances","2018","8","39","22259","","10.1039/C8RA02552E","","x-ray","1.54184","CuKα","","0.05","0.0471","","","0.1295","0.1321","","","","","","1.094","","","","has coordinates","208527","2020-10-21","18:00:00",""
"7230948","7.661","0.0003","14.6847","0.0011","30.005","0.002","88.511","0.006","89.235","0.004","85.054","0.005","3361.6","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H100 B44 N6 Na2 O8 -","- C28 H100 B44 N6 Na2 O8 -","- C56 H200 B88 N12 Na4 O16 -","2","1","","Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon","Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−","RSC Advances","2018","8","40","22447","","10.1039/C8RA03067G","","","0.71073","MoKα","","0.1656","0.1413","","","0.2968","0.3087","","","","","","1.146","","","","has coordinates","208528","2020-10-21","18:00:00",""
"7230949","9.1861","0.0005","11.3166","0.0006","13.6234","0.0006","71.718","0.003","83.92","0.004","72.759","0.004","1284.19","0.12","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 B11 I N2 O -","- C16 H36 B11 I N2 O -","- C32 H72 B22 I2 N4 O2 -","2","1","","Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon","Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−","RSC Advances","2018","8","40","22447","","10.1039/C8RA03067G","","","1.34139","GaKα","","0.0901","0.0664","","","0.1701","0.1905","","","","","","1.011","","","","has coordinates","208528","2020-10-21","18:00:00",""
"7230950","8.5876","0.0001","9.0979","0.0001","14.2064","0.0001","90","","100.893","0.001","90","","1089.94","0.019","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Lim, Felicia Phei Lin; Tan, Lin Yuing; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Synthesis of 3-(5-amino-1H-1,2,4-triazol-3-yl)propanamides and their tautomerism","RSC Advances","2018","8","40","22351","","10.1039/C8RA04576C","","x-ray","1.54184","CuKα","","0.0328","0.0321","","","0.0798","0.0806","","","","","","1.038","","","","has coordinates","208529","2020-10-21","18:00:00",""
"7230951","25.068","0.005","42.667","0.002","13.8078","0.0011","90","","90","","90","","14768","3","100.01","0.1","100.01","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C42 H18 O16 Zr3 -","- C42 H18 O16 Zr3 -","- C336 H144 O128 Zr24 -","8","0.5","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54184","CuKα","","0.101","0.0711","","","0.1909","0.216","","","","","","0.943","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230952","42.7196","0.0015","23.6272","0.0018","21.5936","0.0009","90","","120.317","0.004","90","","18814.8","1.9","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 Cu2 O10 -","- C42 H22 Cu2 O10 -","- C336 H176 Cu16 O80 -","8","1","","Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong","Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning","CrystEngComm","2018","20","39","6018","","10.1039/C8CE00779A","","x-ray","1.54178","CuKα","","0.1478","0.0991","","","0.2629","0.2937","","","","","","1.04","","","","has coordinates","228976","2020-10-21","18:00:00",""
"7230953","4.8969","0.0007","14.198","0.002","14.446","0.002","110.345","0.003","91.603","0.003","94.335","0.003","937.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","- C38 H24 Co N2 O8 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0841","0.0623","","","0.1593","0.1733","","","","","","1.043","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230954","7.1065","0.0008","11.5273","0.0012","32.724","0.003","90","","90","","90","","2680.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 Ni O14 -","- C22 H36 N2 Ni O14 -","- C88 H144 N8 Ni4 O56 -","4","1","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0596","0.0571","","","0.1362","0.1378","","","","","","1.118","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7230955","9.8329","0.001","14.8689","0.0016","15.4142","0.0016","83.428","0.002","72.557","0.002","71.871","0.002","2042.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","- C92 H70 Co5 N4 O34 -","1","0.5","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.1281","0.097","","","0.203","0.213","","","","","","1.145","","","","has coordinates","228878","2020-10-21","18:00:00",""
"7230956","7.632","0.006","17.468","0.009","5.313","0.005","90","","95.791","0.007","90","","704.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H10 O6 U -","- C14 H10 O6 U -","- C28 H20 O12 U2 -","2","0.25","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0322","0.0322","","","","","","1.145","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230957","5.1074","0.0004","17.6516","0.0015","9.0688","0.0008","90","","94.061","0.009","90","","815.53","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Br2 O6 U -","- C14 H8 Br2 O6 U -","- C28 H16 Br4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0325","0.0223","","","0.0478","0.0512","","","","","","1.022","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230958","5.0806","0.0004","17.9621","0.0012","9.3867","0.0006","90","","93.553","0.008","90","","854.97","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 I2 O6 U -","- C14 H8 I2 O6 U -","- C28 H16 I4 O12 U2 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0263","0.0233","","","0.0558","0.057","","","","","","1.089","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230959","18.391","0.008","8.604","0.005","10.512","0.007","90","","90.911","0.006","90","","1663.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cl4 O14 U2 -","- C28 H20 Cl4 O14 U2 -","- C56 H40 Cl8 O28 U4 -","2","0.5","","Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.","Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study","CrystEngComm","2018","20","34","4916","","10.1039/C8CE00682B","","x-ray","0.71073","MoKα","","0.0349","0.0246","","","0.0555","0.058","","","","","","1.045","","","","has coordinates","229137","2020-10-21","18:00:00",""
"7230960","7.3141","0.0009","15.403","0.0017","10.0589","0.001","90","","107.288","0.008","90","","1082","0.2","143","","143","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N4 O3 -","- C9 H9 Cl N4 O3 -","- C36 H36 Cl4 N16 O12 -","4","1","","Kitamura, Masanori; Sasaki, Suguru; Nishikawa, Riho; Yamada, Kohei; Kunishima, Munetaka","Imido-substituted triazines as dehydrative condensing reagents for the chemoselective formation of amides in the presence of free hydroxy groups","RSC Advances","2018","8","40","22482","","10.1039/C8RA03057J","","","0.71075","MoKα","","0.0445","0.0343","","","0.0809","0.0847","","","","","","1.04","","","","has coordinates","208563","2020-10-21","18:00:00",""
"7230961","10.896","0.0017","11.116","0.0018","12.346","0.002","106.385","0.003","108.807","0.003","105.418","0.003","1248.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H44 Co2 Cr Mo6 N14 O38 -","- C18 H44 Co2 Cr Mo6 N14 O38 -","- C18 H44 Co2 Cr Mo6 N14 O38 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0607","0.039","","","0.0891","0.1011","","","","","","1.017","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230962","10.881","0.0004","12.329","0.0005","12.458","0.0005","106.843","0.001","113.571","0.001","102.689","0.001","1354.64","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Mo8 N14 Ni3 O42 -","- C18 H44 Mo8 N14 Ni3 O42 -","- C18 H44 Mo8 N14 Ni3 O42 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0307","0.0252","","","0.057","0.0594","","","","","","1.029","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230963","10.915","0.0004","12.401","0.0005","12.514","0.0005","107.495","0.001","113.374","0.001","102.098","0.001","1374.33","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H44 Co3 Mo8 N14 O42 -","- C18 H44 Co3 Mo8 N14 O42 -","- C18 H44 Co3 Mo8 N14 O42 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.077","0.0441","","","0.0864","0.0988","","","","","","1.008","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230964","10.565","0.0007","11.42","0.0008","12.126","0.0008","94.449","0.001","114.079","0.001","95.083","0.001","1320.03","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H40 Mo8 N14 Ni3 O40 -","- C18 H40 Mo8 N14 Ni3 O40 -","- C18 H40 Mo8 N14 Ni3 O40 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0248","0.0214","","","0.0512","0.0529","","","","","","1.045","","","","has coordinates,has disorder","208564","2020-10-21","18:00:00",""
"7230965","10.922","0.0006","11.063","0.0005","21.274","0.001","100.843","0.001","97.796","0.001","94.739","0.001","2485.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Co3 Mo6 N14 O37 Te -","- C18 H40 Co3 Mo6 N14 O37 Te -","- C36 H80 Co6 Mo12 N28 O74 Te2 -","2","1","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Wang, Xiang; Liu, Guocheng","A series of new polyoxometalate-based metal‒organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties","RSC Advances","2018","8","40","22676","","10.1039/C8RA03277G","","","0.71069","MoKα","","0.0725","0.0392","","","0.0736","0.0864","","","","","","0.989","","","","has coordinates","208564","2020-10-21","18:00:00",""
"7230966","8.1334","0.0013","9.0145","0.0015","14.731","0.002","94.156","0.005","102.111","0.004","102.813","0.005","1021.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O5 S -","- C18 H20 N4 O5 S -","- C36 H40 N8 O10 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.191","0.1093","","","0.3032","0.3491","","","","","","1.028","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230967","8.2173","0.0008","8.3786","0.0009","14.5475","0.0015","92.588","0.004","103.511","0.003","103.084","0.003","943.49","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S2 -","- C15 H16 N4 O4 S2 -","- C30 H32 N8 O8 S4 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0927","0.0702","","","0.205","0.2222","","","","","","1.056","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230968","19.0354","0.0009","9.4928","0.0004","14.2722","0.0007","90","","109.631","0.0016","90","","2429.1","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O5 S -","- C25 H24 N4 O5 S -","- C100 H96 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.058","0.0426","","","0.1011","0.1087","","","","","","1.022","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230969","8.1029","0.0009","31.573","0.003","8.6015","0.0008","90","","101.122","0.003","90","","2159.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O5 S -","- C19 H22 N4 O5 S -","- C76 H88 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1481","0.0851","","","0.1948","0.2226","","","","","","1.099","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230970","6.393","0.0004","12.563","0.0006","13.1829","0.0007","69.16","0.0015","76.3073","0.0018","84.3478","0.0017","961.28","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N4 O4 S -","- C18 H18 N4 O4 S -","- C36 H36 N8 O8 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1187","0.0663","","","0.1723","0.1996","","","","","","1.021","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230971","8.4873","0.0016","34.193","0.005","8.7571","0.0016","90","","97.759","0.006","90","","2518.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1409","0.0603","","","0.0953","0.116","","","","","","1.008","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230972","6.0489","0.0003","11.7701","0.0006","14.2912","0.0007","106.846","0.0017","91.1007","0.0018","94.0053","0.0019","970.61","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O4 S -","- C18 H20 N4 O4 S -","- C36 H40 N8 O8 S2 -","2","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0903","0.0545","","","0.1294","0.1447","","","","","","1.029","","","","has coordinates,has disorder","208565","2020-10-21","18:00:00",""
"7230973","17.559","","17.5588","0.0013","8.3081","0.0006","90","","90","","90","","2561.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H28 N4 O5 S -","- C26 H28 N4 O5 S -","- C104 H112 N16 O20 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.1454","0.0606","","","0.0965","0.1157","","","","","","0.917","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230974","8.4154","0.0017","34.97","0.007","8.6188","0.0018","90","","100.377","0.007","90","","2494.9","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 N4 O5 S -","- C25 H26 N4 O5 S -","- C100 H104 N16 O20 S4 -","4","2","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.0749","0.0465","","","0.0912","0.1005","","","","","","1.024","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230975","18.926","0.003","9.4145","0.0014","15.008","0.003","90","","112.887","0.005","90","","2463.6","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H24 N4 O4 S -","- C25 H24 N4 O4 S -","- C100 H96 N16 O16 S4 -","4","1","","Sun, Jing; Zhang, Yu; Yan, Chao-Guo","Tandem four-component reaction for efficient synthesis of dihydrothiophene with substituted amino acid ethyl esters","RSC Advances","2018","8","40","22498","","10.1039/C8RA03605E","","","0.71073","MoKα","","0.11","0.0535","","","0.0994","0.1158","","","","","","1.003","","","","has coordinates","208565","2020-10-21","18:00:00",""
"7230976","14.89","0.008","10.564","0.005","23.285","0.011","90","","107.455","0.006","90","","3494","3","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 Eu O8 P -","- C21 H14 Eu O8 P -","- C84 H56 Eu4 O32 P4 -","4","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.1846","0.0714","","","0.1614","0.2032","","","","","","0.913","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230977","10.4402","0.0006","14.6618","0.0008","23.087","0.0013","72.521","0.002","88.719","0.002","87.591","0.002","3367.6","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Dy2 O16 P2 -","- C42 H28 Dy2 O16 P2 -","- C84 H56 Dy4 O32 P4 -","2","1","","Hu, Tuoping; Zhao, Qiannan; Huo, Liangqin; Gao, Lingling; Zhang, Jie; Wang, Xiaoqing; Fan, Liming","Two lanthanide metal‒organic frameworks constructed from tris(4-carboxyphenyl)phosphane oxide with gas adsorption and magnetic properties","CrystEngComm","2018","20","30","4291","","10.1039/C8CE00661J","","","0.71073","MoKα","","0.0642","0.06","","","0.1437","0.1461","","","","","","1.117","","","","has coordinates,has disorder","229081","2020-10-21","18:00:00",""
"7230978","15.06","0.003","17.24","0.003","18.79","0.004","92.09","0.03","100.49","0.03","115.21","0.03","4304","2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H77 Co4 N14 O39.5 -","- C90 H74 Co4 N14 O39.5 -","- C180 H148 Co8 N28 O79 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.125","0.088","","","0.2352","0.2699","","","","","","1.007","","","","has coordinates,has disorder","228875","2020-10-21","18:00:00",""
"7230979","16.464","0.003","9.18","0.0018","25.501","0.005","90","","101.94","0.03","90","","3770.8","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Co N6 O16 -","- C40 H32 Co N6 O16 -","- C160 H128 Co4 N24 O64 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0561","0.0508","","","0.1344","0.1385","","","","","","1.052","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230980","9.669","0.0019","13.649","0.003","14.082","0.003","109.91","0.03","106.2","0.03","99.92","0.03","1602.8","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 N4 O8 Zn -","- C30 H18 N4 O8 Zn -","- C60 H36 N8 O16 Zn2 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1466","0.0972","","","0.2803","0.3216","","","","","","1.058","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230981","26.66","0.005","7.272","0.0015","27.642","0.006","90","","90","","90","","5359","1.9","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C60 H54 Co2 N8 O18 -","- C60 H54 Co2 N8 O18 -","- C240 H216 Co8 N32 O72 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0929","0.0781","","","0.2057","0.2171","","","","","","1.032","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230982","27.105","0.005","14.012","0.003","7.495","0.0015","90","","94.37","0.03","90","","2838.3","1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N4 O10 -","- C28 H30 Cu N4 O10 -","- C112 H120 Cu4 N16 O40 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","Synchrotron","","0.1425","0.0849","","","0.2502","0.2917","","","","","","1.045","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230983","11.713","0.002","11.938","0.002","12.993","0.003","115.19","0.03","105.01","0.03","96.15","0.03","1538.1","0.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cu N4 O8 -","- C30 H18 Cu N4 O8 -","- C60 H36 Cu2 N8 O16 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1171","0.0775","","","0.1915","0.2173","","","","","","1.055","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230984","7.251","0.0015","18.38","0.004","17.791","0.004","90","","92.74","0.03","90","","2368.4","0.9","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Co N4 O8 -","- C28 H16 Co N4 O8 -","- C112 H64 Co4 N16 O32 -","4","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0682","0.0657","","","0.1422","0.1444","","","","","","1.218","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230985","16.827","0.003","28.485","0.006","7.4","0.0015","90","","90.71","0.03","90","","3546.7","1.2","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11.5 N2 O10.25 Zn -","- C18 H11 N2 O10.25 Zn -","- C144 H88 N16 O82 Zn8 -","8","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0977","0.0866","","","0.2614","0.2687","","","","","","1.079","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230986","16.468","0.003","9.169","0.0018","25.512","0.005","90","","102.04","0.03","90","","3767.4","1.3","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N6 O16 Zn -","- C40 H32 N6 O16 Zn -","- C160 H128 N24 O64 Zn4 -","4","0.5","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.1341","0.0901","","","0.222","0.2552","","","","","","1.043","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230987","9.864","0.002","13.216","0.003","13.312","0.003","113.74","0.03","98.29","0.03","92.58","0.03","1561.7","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Cu N5 O13 -","- C32 H27 Cu N5 O13 -","- C64 H54 Cu2 N10 O26 -","2","1","","Kyratzis, Nicholas; Cao, Winnie; Izgorodina, Ekaterina I.; Turner, David R.","Structural changes in coordination polymers in response to small changes in steric bulk (H vs. Me): an experimental and theoretical study","CrystEngComm","2018","20","29","4115","","10.1039/C8CE00744F","","","0.7108","synchrotron","","0.0842","0.0684","","","0.1913","0.2073","","","","","","1.038","","","","has coordinates","228875","2020-10-21","18:00:00",""
"7230988","10.1188","0.0007","10.942","0.0011","11.7024","0.001","63.853","0.009","82.358","0.006","72.588","0.007","1109.8","0.19","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H13 N3 O8.18 Zn -","- C23 H13 N3 O8.168 Zn -","- C46 H26 N6 O16.336 Zn2 -","2","1","","Shi, Ying; Song, Tian-Qun; Cao, Chun-Shuai; Zhao, Bin","A two-fold interpenetrated zinc‒organic framework: luminescence detection of CrO42−/Cr2O72− and chemical conversion of CO2","CrystEngComm","2018","20","39","6040","","10.1039/C8CE00673C","","x-ray","0.71073","MoKα","","0.0761","0.0544","","","0.1313","0.1459","","","","","","0.941","","","","has coordinates","228979","2020-10-21","18:00:00",""
"7230989","8.0233","0.0005","7.9864","0.0006","9.3673","0.0006","90","","95.686","0.002","90","","597.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H16 N4 O7 -","- C8 H16 N4 O7 -","- C16 H32 N8 O14 -","2","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0284","0.0282","","","0.0752","0.0756","","","","","","1.068","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230990","31.8791","0.0012","5.0676","0.0002","8.8564","0.0004","90","","96.049","0.004","90","","1422.79","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C48 H96 N8 O16 -","4","0.5","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.046","0.0435","","","0.1163","0.1188","","","","","","1.085","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230991","9.4044","0.0002","8.2033","0.0002","7.775","0.0002","90","","101.659","0.001","90","","587.44","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O3 -","- C4 H8 N2 O3 -","- C16 H32 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0332","0.0329","","","0.0882","0.0885","","","","","","1.009","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230992","4.9064","0.0003","8.7118","0.0006","17.1527","0.0014","102.543","0.007","96.249","0.005","90.472","0.005","711.03","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","- C24 H48 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","x-ray","1.54178","CuKα","","0.0528","0.0453","","","0.1155","0.1207","","","","","","1.049","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230993","9.8954","0.0004","19.31","0.0009","8.9868","0.0004","90","","90","","90","","1717.2","0.13","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H12 N2 O4 -","- C6 H12 N2 O4 -","- C48 H96 N16 O32 -","8","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0455","0.0371","","","0.0996","0.106","","","","","","1.025","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230994","5.0193","0.0003","8.6051","0.0006","10.2069","0.0007","69.005","0.004","77.721","0.004","89.513","0.004","401.06","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","- C12 H24 N4 O7 -","1","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0394","0.0389","","","0.096","0.0968","","","","","","1.045","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230995","19.637","0.004","4.9347","0.0013","8.4645","0.0017","90","","92.281","0.012","90","","819.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0734","0.0628","","","0.1894","0.2231","","","","","","1.137","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230996","8.0175","0.0004","8.1062","0.0004","9.2562","0.0004","90","","95.619","0.002","90","","598.68","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N2 O4 -","- C4 H8 N2 O4 -","- C16 H32 N8 O16 -","4","1","","Pinter, Emily N.; Cantrell, Lee S.; Day, Graeme M.; Wheeler, Kraig A.","Pasteur's tartaramide/malamide quasiracemates: new entries and departures from near inversion symmetry","CrystEngComm","2018","20","30","4213","","10.1039/C8CE00791H","","","1.54178","CuKα","","0.0333","0.033","","","0.0857","0.086","","","","","","1.18","","","","has coordinates","229082","2020-10-21","18:00:00",""
"7230997","14.8822","0.0007","14.2697","0.0007","12.8142","0.0006","90","","106.409","0.002","90","","2610.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil anisole solvate","","- C51 H68 N12 O9 S2 -","- C51 H68 N12 O9 S2 -","- C102 H136 N24 O18 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0658","0.0585","","","0.1644","0.1704","","","","","","1.037","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7230998","15.6055","0.0005","13.5523","0.0004","12.5064","0.0004","90","","106.362","0.001","90","","2537.86","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sildenafil dioxane solvate","","- C24 H34 N6 O5 S -","- C24 H34 N6 O5 S -","- C96 H136 N24 O20 S4 -","4","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0661","0.0405","","","0.0955","0.1181","","","","","","0.999","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7230999","14.8287","0.0006","14.3781","0.0006","12.7277","0.0005","90","","106.483","0.001","90","","2602.13","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-[2-ethoxy-5-(4-methylpiperazin-1-yl) sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one","Sildenafil toluene solvate","","- C51 H68 N12 O8 S2 -","- C51 H68 N12 O8 S2 -","- C102 H136 N24 O16 S4 -","2","0.5","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.0415","0.0339","","","0.0949","0.0994","","","","","","1.044","","","","has coordinates,has disorder","228927","2020-10-21","18:00:00",""
"7231000","16.3399","0.0007","8.5767","0.0003","40.1148","0.0016","90","","90","","90","","5621.8","0.4","301","2","301","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Sildenafil chloroform solvate","","- C23 H31 Cl3 N6 O4 S -","- C23 H31 Cl3 N6 O4 S -","- C184 H248 Cl24 N48 O32 S8 -","8","1","","Barbas, Rafael; Prohens, Rafel; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates","CrystEngComm","2018","20","32","4526","","10.1039/C8CE00567B","","","0.71073","MoKα","","0.1117","0.0661","","","0.1718","0.1981","","","","","","1.026","","","","has coordinates","228927","2020-10-21","18:00:00",""
"7231001","7.176","0.002","13.512","0.005","11.93","0.004","90","","106.582","0.005","90","","1108.7","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-Bromo-1-adamantyl)acetic acid, 3-Bromotricyclo[3.3.1.13,7]decane-1-acetic acid","3-bromoadamantane-1-acetic acid","","- C12 H17 Br O2 -","- C12 H17 Br O2 -","- C48 H68 Br4 O8 -","4","1","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0232","0.0188","","","0.0482","0.0499","","","","","","1.062","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231002","18.173","0.013","6.598","0.005","18.585","0.013","90","","111.339","0.011","90","","2076","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1-Adamantylacetic acid","1-Adamantaneacetic acid","","- C12 H18 O2 -","- C12 H18 O2 -","- C96 H144 O16 -","8","2","","Mohamed, Sharmarke; Li, Liang","From serendipity to supramolecular design: assessing the utility of computed crystal form landscapes in inferring the risks of crystal hydration in carboxylic acids","CrystEngComm","2018","20","39","6026","","10.1039/C8CE00758F","","","0.71073","MoKα","","0.0737","0.0426","","","0.0938","0.1094","","","","","","1.026","","","","has coordinates","228973","2020-10-21","18:00:00",""
"7231003","4.9952","0.0004","5.9493","0.0005","13.8126","0.0012","95.593","0.013","90.98","0.012","90.965","0.011","408.4","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0904","0.0659","","","0.1615","0.1743","","","","","","1.107","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231004","9.6161","0.0008","18.9415","0.0018","9.993","0.0009","90","","90","","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1277","0.0506","","","0.1188","0.1662","","","","","","0.892","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231005","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1348","0.0499","","","0.1264","0.179","","","","","","0.945","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231006","11.288","0.0008","10.062","0.0007","23.0573","0.0016","90","","103.722","0.004","90","","2544.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0653","0.0392","","","0.105","0.1279","","","","","","0.878","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231007","9.1728","0.0007","17.8422","0.0014","10.42","0.0008","90","","90","","90","","1705.4","0.2","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca0.61 N3 O6 Sr0.4 -","- C9 H21 Br2 Ca0.605 N3 O6 Sr0.395 -","- C36 H84 Br8 Ca2.42 N12 O24 Sr1.58 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0787","0.0384","","","0.112","0.1421","","","","","","0.895","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231008","5.0003","0.0005","5.9936","0.0006","13.845","0.0015","95.502","0.019","91.031","0.019","91.228","0.017","412.84","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","- C6 H18 Ca I2 N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0886","0.0422","","","0.1041","0.1271","","","","","","0.64","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231009","9.8652","0.0007","19.267","0.0015","10.3186","0.0008","90","","90","","90","","1961.3","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0916","0.0421","","","0.0964","0.1239","","","","","","0.977","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231010","11.3056","0.0007","10.0982","0.0007","23.1494","0.0016","90","","103.484","0.008","90","","2570","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 Ca I2 N4 O10 -","- C12 H32 Ca I2 N4 O10 -","- C48 H128 Ca4 I8 N16 O40 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1344","0.0545","","","0.136","0.1725","","","","","","0.826","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231011","4.7711","0.0004","5.3186","0.0004","13.5193","0.0012","84.365","0.012","82.08","0.012","87.969","0.012","338.06","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.092","0.0625","","","0.2379","0.2468","","","","","","1.639","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231012","8.7723","0.0006","10.5359","0.0007","36.582","0.0003","90","","90","","90","","3381.1","0.3","173","2","173","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0445","0.0307","","","0.1102","0.1299","","","","","","1.015","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231013","8.793","0.0006","10.3957","0.0007","17.9","0.0013","90","","91.982","0.006","90","","1635.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0955","0.0451","","","0.1118","0.1431","","","","","","0.857","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231014","4.8078","0.0004","5.3548","0.0004","13.662","0.0012","83.825","0.012","82.288","0.012","87.503","0.012","346.37","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","- C6 H18 Cl2 Mn N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0777","0.0429","","","0.1082","0.1289","","","","","","0.815","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231015","8.7535","0.0006","10.3752","0.0007","17.8337","0.0013","90","","91.867","0.006","90","","1618.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C9 H21 Cl2 N3 O6 Sr -","- C9 H21 Cl2 N3 O6 Sr -","- C36 H84 Cl8 N12 O24 Sr4 -","4","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0768","0.039","","","0.1001","0.1262","","","","","","0.823","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231016","8.8611","0.0006","10.5404","0.0007","36.611","0.0003","90","","90","","90","","3419.5","0.3","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C9 H21 Br2 N3 O6 Sr -","- C9 H21 Br2 N3 O6 Sr -","- C72 H168 Br16 N24 O48 Sr8 -","8","1","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0845","0.0501","","","0.1551","0.1782","","","","","","1.165","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231017","4.7825","0.0005","5.3422","0.0005","13.6722","0.0014","84.343","0.017","80.426","0.017","88.026","0.017","342.71","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","- C6 H18 Cl2 Mg N2 O6 -","1","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.1018","0.0648","","","0.2188","0.2299","","","","","","1.335","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231018","9.2414","0.0006","17.6966","0.0013","10.3565","0.0007","90","","90","","90","","1693.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H21 Br2 Ca N3 O6 -","- C9 H21 Br2 Ca N3 O6 -","- C36 H84 Br8 Ca4 N12 O24 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0333","0.0274","","","0.0902","0.0957","","","","","","0.799","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231019","9.5844","0.0006","18.9445","0.0013","9.9448","0.0006","90","","90","","90","","1805.7","0.2","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 Br2 Mg N3 O8 -","- C9 H25 Br2 Mg N3 O8 -","- C36 H100 Br8 Mg4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.051","0.0288","","","0.0868","0.109","","","","","","0.794","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231020","8.9965","0.0007","17.6045","0.0003","10.3191","0.0015","90","","90","","90","","1634.3","0.3","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C9 H21 Ca0.57 Cl2 N3 O6 Sr0.43 -","- C9 H21 Ca0.566 Cl2 N3 O6 Sr0.434 -","- C36 H84 Ca2.264 Cl8 N12 O24 Sr1.736 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0666","0.0522","","","0.146","0.1521","","","","","","1.079","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231021","9.8288","0.0007","19.216","0.0015","10.2845","0.0008","90","","90","","90","","1942.4","0.3","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H25 I2 Mn N3 O8 -","- C9 H25 I2 Mn N3 O8 -","- C36 H100 I8 Mn4 N12 O32 -","4","0.5","","Clulow, Rebecca; Lightfoot, Philip","New sarcosine‒metal halide complexes related to ferroelectric TSCC","CrystEngComm","2018","20","28","4012","","10.1039/C8CE00719E","","","0.71075","MoKα","","0.0799","0.0406","","","0.0947","0.1149","","","","","","0.978","","","","has coordinates","228884","2020-10-21","18:00:00",""
"7231022","11.8036","0.0001","33.2827","0.0004","12.5383","0.0001","90","","109.616","0.001","90","","4639.87","0.08","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate","","- C81 H96 Ag2 B2 F8 N14 O22 -","- C81 H92 Ag2 B2 F8 N14 O22 -","- C162 H184 Ag4 B4 F16 N28 O44 -","2","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.0754","0.0704","","","0.2009","0.208","","","","","","1.036","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231023","34.7067","0.0011","20.143","0.0005","32.4896","0.0013","90","","103.879","0.004","90","","22050.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II)nitrate","","- C114 H84 Co3 N18 O48 -","- C114 H84 Co3 N12 O30 -","- C456 H336 Co12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1043","0.0841","","","0.2736","0.2882","","","","","","1.107","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231024","13.6325","0.0004","14.2524","0.0002","14.6263","0.0006","81.277","0.003","67.96","0.003","79.096","0.002","2576.42","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate","","- C60 H43 N7 O13 -","- C60 H43 N7 O13 -","- C120 H86 N14 O26 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1011","0.0642","","","0.1879","0.2075","","","","","","0.969","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231025","35.931","0.0011","20.5186","0.0005","32.4986","0.0015","90","","111.33","0.003","90","","22318.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C120 H86 Br6 Co3 N14 O26 -","- C120 H86 Br6 Co3 N14 O26 -","- C480 H344 Br24 Co12 N56 O104 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","0.6889","synchrotron","","0.1114","0.0884","","","0.2873","0.303","","","","","","1.06","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231026","35.226","0.003","20.1867","0.0012","33.622","0.002","90","","110.454","0.009","90","","22401","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","hexachlorobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide","","- C114 H72 Cl6 Co3 N12 O24 -","- C114 H72 Cl6 Co3 N12 O24 -","- C456 H288 Cl24 Co12 N48 O96 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1674","0.1297","","","0.3405","0.3663","","","","","","1.08","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231027","34.8581","0.0012","20.3238","0.0007","30.9326","0.0009","90","","97.984","0.003","90","","21701.8","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","hexaaquobis{hexakis(isonicotinoyl)cyclotricatechylene}tricopper(II)nitrate","","- C114 H84 Cu3 N18 O48 -","- C114 H72 Cu3 N12 O30 -","- C456 H288 Cu12 N48 O120 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1204","0.0957","","","0.2812","0.3043","","","","","","0.999","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231028","19.6665","0.0004","19.6665","0.0004","31.6873","0.001","90","","90","","120","","10613.8","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","trisbromotriscarbonylbis{hexakis(isonicotinoyl)cyclotricatechylene}trirhenium(I) nitromethane clathrate","","- C119 H90 Br3 N14 O37 Re3 -","- C116 H78.12 Br3 N14 O33.96 Re3 -","- C348 H234.36 Br9 N42 O101.88 Re9 -","3","0.0833333","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.1518","0.1496","","","0.497","0.5003","","","","","","2.517","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231029","35.4694","0.0008","20.3503","0.0005","33.3657","0.0007","90","","110.579","0.003","90","","22547","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetraquobis{hexakis(isonicotinoyl)cyclotricatechylene}diiodotricobalt(II) iodide","","- C114 H81 Co3 I6 N12 O28.5 -","- C114 H72 Co3 I4 N12 O28.5 -","- C456 H288 Co12 I16 N48 O114 -","4","0.5","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","","1.54184","CuKα","","0.162","0.1409","","","0.393","0.4171","","","","","","1.559","","","","has coordinates,has disorder","228882","2020-10-21","18:00:00",""
"7231030","18.1806","0.0011","18.4809","0.0011","19.4599","0.0013","103.319","0.006","109.243","0.006","103.091","0.005","5672.3","0.7","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","[hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II)","","","- C69 H40 Cu2 F9 N7 O20 -","- C69 H40 Cu2 F9 N7 O20 -","- C138 H80 Cu4 F18 N14 O40 -","2","1","","Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.","2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand","CrystEngComm","2018","20","28","3960","","10.1039/C8CE00806J","","x-ray","1.54184","CuKα","","0.1792","0.1249","","","0.3474","0.3868","","","","","","1.054","","","","has coordinates","228882","2020-10-21","18:00:00",""
"7231031","8.9164","0.0006","16.6045","0.001","16.3908","0.0011","90","","101.409","0.003","90","","2378.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 F6 N2 -","- C29 H18 F6 N2 -","- C116 H72 F24 N8 -","4","2","","Panda, Manas K.; Ravi, Nayana; Asha, P.; Prakasham, A. P.","High contrast mechanochromic and thermochromic luminescence switching by a deep red emitting organic crystal","CrystEngComm","2018","20","39","6046","","10.1039/C8CE00696B","","","0.71073","MoKα","","0.1183","0.0836","","","0.2499","0.2874","","","","","","1.045","","","","has coordinates","228968","2020-10-21","18:00:00",""
"7231032","20.84368","0.00081","20.84368","0.00081","24.3675","0.0025","90","","90","","120","","9168.3","1.1","","","298","","","","","","","","","4","P 63/m","-P 6c","176","","Hf-CAU-39","Hf-CAU-39","- C72 Hf12 N24 O104.38 -","- C72 Hf12 N24 O104.38 -","- C144 Hf24 N48 O208.76 -","2","0.166667","","Waitschat, Steve; Reinsch, Helge; Arpacioglu, Merve; Stock, Norbert","Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBUs","CrystEngComm","2018","20","35","5108","","10.1039/C8CE00949J","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","229125","2020-10-21","18:00:00",""
"7231033","16.9172","0.0002","16.9172","0.0002","17.9975","0.0003","90","","90","","120","","4460.67","0.11","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C65 H64 Fe N12 O7 -","- C65 H59 Fe N12 O6 -","- C195 H177 Fe3 N36 O18 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.043","0.0381","","","0.0979","0.1048","","","","","","1.069","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231034","17.079","0.0013","17.079","0.0013","17.9429","0.0016","90","","90","","120","","4532.6","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C65 H66 Co N12 O8 -","- C57 H36 Co N12 O4 -","- C171 H108 Co3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0612","0.0506","","","0.133","0.1468","","","","","","1.044","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231035","17.008","0.0015","17.008","0.0015","18.496","0.0018","90","","90","","120","","4633.6","0.7","150","0.1","150","0.1","","","","","","","","5","P 31","P 31","144","","","","- C69 H70 Fe N12 O7 -","- C61 H43 Fe N12 O5 -","- C183 H129 Fe3 N36 O15 -","3","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.1264","0.0828","","","0.1954","0.2231","","","","","","0.938","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231036","17.7212","0.0004","18.6855","0.0006","20.2478","0.0004","90","","90","","90","","6704.6","0.3","150","0.1","150","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C68 H68 F9 Fe N12 O11 -","- C62 H36 F9 Fe N12 O -","- C248 H144 F36 Fe4 N48 O4 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.0721","0.0618","","","0.1705","0.1839","","","","","","1.063","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231037","17.0059","0.0002","17.0059","0.0002","17.2491","0.0002","90","","90","","120","","4320.13","0.09","150","0.1","150","0.1","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C57 H44 Fe N12 O5 -","- C57 H39 Fe N12 O4 -","- C171 H117 Fe3 N36 O12 -","3","0.166667","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.038","0.0378","","","0.1089","0.1092","","","","","","1.088","","","","has coordinates","228877","2020-10-21","18:00:00",""
"7231038","18.1082","0.0008","15.7956","0.0005","20.1176","0.0008","90","","100.471","0.004","90","","5658.4","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H47 Co F9 N12 O4 -","- C60 H31 Co F9 N12 O2 -","- C240 H124 Co4 F36 N48 O8 -","4","1","","Abhervé, Alexandre; Benmansour, Samia; Gómez-García, Carlos José; Avarvari, Narcis","Iron(ii) and cobalt(ii) complexes based on anionic phenanthroline-imidazolate ligands: reversible single-crystal-to-single-crystal transformations","CrystEngComm","2018","20","29","4141","","10.1039/C8CE00561C","","","1.54184","CuKα","","0.111","0.0772","","","0.2246","0.2542","","","","","","1.059","","","","has coordinates,has disorder","228877","2020-10-21","18:00:00",""
"7231039","10.7372","0.0007","19.6819","0.0013","10.9938","0.0007","90","","114.163","0.002","90","","2119.7","0.2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 P S4 -","- C21 H21 P S4 -","- C84 H84 P4 S16 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0431","0.0337","","","0.0809","0.0853","","","","","","1.055","","","","has coordinates","208712","2020-10-21","18:00:00",""
"7231040","10.8302","0.0004","19.7686","0.0008","10.947","0.0004","90","","112.874","0.0013","90","","2159.43","0.14","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 P S3 Se -","- C21 H21 P S3 Se -","- C84 H84 P4 S12 Se4 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0314","0.026","","","0.0608","0.0631","","","","","","1.074","","","","has coordinates","208712","2020-10-21","18:00:00",""
"7231041","10.1402","0.0005","20.3778","0.001","10.7202","0.0005","90","","114.969","0.0016","90","","2008.13","0.17","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O P S3 -","- C21 H21 O P S3 -","- C84 H84 O4 P4 S12 -","4","1","","Davidson, Ross J.; Milan, David C.; Al-Owaedi, Oday A.; Ismael, Ali K.; Nichols, Richard J.; Higgins, Simon J.; Lambert, Colin J.; Yufit, Dmitry S.; Beeby, Andrew","Conductance of ‘bare-bones’ tripodal molecular wires","RSC Advances","2018","8","42","23585","","10.1039/C8RA01257A","","x-ray","0.71073","MoKα","","0.0483","0.0344","","","0.0755","0.0807","","","","","","1.038","","","","has coordinates","208712","2020-10-21","18:00:00",""
"7231042","10.0155","0.0003","11.6906","0.0003","11.8211","0.0004","97.673","0.002","99.525","0.001","112.778","0.001","1228.49","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 N6 Na O7 Pb -","- C21 H23 N6 Na O7 Pb -","- C42 H46 N12 Na2 O14 Pb2 -","2","1","","Wu, Xiren; Shen, Xin; Fan, Shuran; Trivedi, Manoj; Li, Boahong; Kumar, Abhinav; Liu, Jianqiang","The utilization of a stable 2D bilayer MOF for simultaneous study of luminescent and photocatalytic properties: experimental studies and theoretical analysis","RSC Advances","2018","8","42","23529","","10.1039/C8RA04145H","","","0.71073","MoKα","","0.0539","0.0352","","","0.0643","0.0694","","","","","","1.012","","","","has coordinates,has disorder","208713","2020-10-21","18:00:00",""
"7231043","11.7141","0.0003","18.6463","0.0005","27.0913","0.0007","90","","90","","90","","5917.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","0.71073","MoKα","","0.0857","0.059","","","0.1475","0.1639","","","","","","1.08","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231044","5.0771","0.0006","10.394","0.0019","33.371","0.007","90","","90","","90","","1761","0.5","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C60 H112 N8 O20 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","1.54184","CuKα","","0.1034","0.0806","","","0.2175","0.2645","","","","","","1.067","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231045","9.9154","0.0008","9.9154","0.0008","21.343","0.002","90","","90","","90","","2098.3","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0217","0.0191","","","0.0485","0.0505","","","","","","1.092","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231046","9.9138","0.0003","9.9138","0.0003","21.3276","0.0008","90","","90","","90","","2096.15","0.12","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0204","0.0203","","","0.0538","0.0539","","","","","","1.143","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231047","9.9041","0.0003","9.9041","0.0003","21.3545","0.0007","90","","90","","90","","2094.69","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0197","","","0.0507","0.0507","","","","","","1.134","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231048","9.8663","0.0006","9.8663","0.0006","21.1146","0.0017","90","","90","","90","","2055.4","0.2","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0187","0.0178","","","0.0473","0.0477","","","","","","1.137","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231049","9.9077","0.0012","9.9077","0.0012","21.33","0.003","90","","90","","90","","2093.8","0.5","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","1.54178","CuKα","","0.0197","0.0193","","","0.0502","0.0509","","","","","","1.127","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231050","9.8592","0.0004","9.8592","0.0004","21.122","0.001","90","","90","","90","","2053.14","0.15","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Λ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0162","0.016","","","0.044","0.0442","","","","","","1.129","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231051","9.8258","0.0019","9.8258","0.0019","21.005","0.005","90","","90","","90","","2028","0.7","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0164","0.0156","","","0.0405","0.0408","","","","","","1.08","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231052","9.8329","0.0012","9.8329","0.0012","21.061","0.002","90","","90","","90","","2036.3","0.4","95","2","95","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","Δ-bis[N-2-(pyridyl)salicylaldiminato-κ^2^N,O]zinc(II)","","- C24 H18 N4 O2 Zn -","- C24 H18 N4 O2 Zn -","- C96 H72 N16 O8 Zn4 -","4","0.5","","Enamullah, Mohammed; Vasylyeva, Vera; Quddus, Mohammad Abdul; Islam, Mohammad Khairul; Höfert, Simon-Patrick; Janiak, Christoph","Spontaneous resolution of a Δ/Λ-chiral-at-metal pseudo-tetrahedral Schiff-base zinc complex to a racemic conglomerate with C‒H⋯O organized 41- and 43-helices","CrystEngComm","2018","20","33","4724","","10.1039/C8CE00839F","","","0.71073","MoKα","","0.0266","0.0235","","","0.0565","0.0575","","","","","","1.04","","","","has coordinates","228948","2020-10-21","18:00:00",""
"7231053","11.9876","0.0006","11.6755","0.0004","11.8909","0.0005","90","","109.447","0.005","90","","1569.32","0.13","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dithiocianato-bis(1-methylimidazole)zinc(II)","","- C10 H12 N6 S2 Zn -","- C10 H12 N6 S2 Zn -","- C40 H48 N24 S8 Zn4 -","4","1","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0771","0.0393","","","0.0803","0.0985","","","","","","1.006","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231054","8.4322","0.0003","12.5613","0.0005","13.9647","0.0005","90","","90","","90","","1479.13","0.1","297","2","297","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","dithiocianato-bis(2-methylimidazole)zinc(II)","","- C10 H12 N6 S2 Zn -","- C10 H12 N6 S2 Zn -","- C40 H48 N24 S8 Zn4 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0603","0.0368","","","0.0717","0.0796","","","","","","1.064","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231055","8.1914","0.0003","8.7859","0.0006","9.4685","0.0006","90.962","0.006","112.629","0.005","104.257","0.005","604.85","0.07","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","dithiocianato-tetraquis(1-methylimidazole)cadmium(II)","","- C18 H24 Cd N10 S2 -","- C18 H24 Cd N10 S2 -","- C18 H24 Cd N10 S2 -","1","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0262","0.025","","","0.0622","0.063","","","","","","1.062","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231056","13.9249","0.0004","14.7811","0.0004","6.9732","0.0002","90","","90","","90","","1435.26","0.07","297","2","297","2","","","","","","","","5","C m c 21","C 2c -2","36","","bis(2-methylimidazole)di(μ-S,N-thiocyanate) cadmium(II)","","- C10 H12 Cd N6 S2 -","- C10 H12 Cd N6 S2 -","- C40 H48 Cd4 N24 S8 -","4","0.5","","Di Santo, Alejandro; Pérez, Hiram; Echeverría, Gustavo A.; Piro, Oscar E.; Iglesias, Rodrigo A.; Carbonio, Raúl E.; Ben Altabef, Aida; Gil, Diego M.","Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties","RSC Advances","2018","8","42","23891","","10.1039/C8RA04452J","","x-ray","0.71073","MoKα","","0.0205","0.0194","","","0.0436","0.0441","","","","","","1.032","","","","has coordinates","208737","2020-10-21","18:00:00",""
"7231057","4.5145","0.0004","12.0237","0.0011","28.87","0.003","90","","90","","90","","1567.1","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N12 O10 -","- C8 H6 N12 O10 -","- C32 H24 N48 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0733","0.0431","","","0.0876","0.0991","","","","","","1.041","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231058","4.7645","0.0006","6.9326","0.0008","12.4985","0.0014","100.528","0.004","93.057","0.004","108.417","0.004","382.35","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","- C8 K2 N12 O8 -","1","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0783","0.0419","","","0.0696","0.0791","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231059","8.0468","0.0005","16.0227","0.001","8.3828","0.0004","90","","105.085","0.002","90","","1043.56","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0558","0.0369","","","0.0766","0.0837","","","","","","1.026","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231060","11.9711","0.0012","6.8493","0.0006","13.2618","0.0012","90","","102.882","0.003","90","","1060.02","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N20 O8 -","- C12 H10 N20 O8 -","- C24 H20 N40 O16 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0864","0.0453","","","0.082","0.0942","","","","","","1.048","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231061","14.701","0.003","4.1634","0.0007","14.187","0.0019","90","","110.503","0.007","90","","813.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O10 -","- C8 H8 N14 O10 -","- C16 H16 N28 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1322","0.0606","","","0.0982","0.1195","","","","","","1.047","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231062","28.666","0.003","4.5532","0.0005","14.061","0.0016","90","","95.658","0.004","90","","1826.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 N16 O10 -","- C9 H10 N16 O10 -","- C36 H40 N64 O40 -","4","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.1185","0.0629","","","0.1186","0.1414","","","","","","1.051","","","","has coordinates,has disorder","229080","2020-10-21","18:00:00",""
"7231063","7.0523","0.0007","19.0738","0.0019","9.4159","0.0012","90","","111.758","0.004","90","","1176.3","0.2","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N22 O10 -","- C12 H16 N22 O10 -","- C24 H32 N44 O20 -","2","0.5","","Sun, Qi; Lin, Qiuhan; Lu, Ming","Nitramino-functionalized tetracyclic oxadiazoles as energetic materials with high performance and high stability: crystal structures and energetic properties","CrystEngComm","2018","20","30","4321","","10.1039/C8CE00857D","","","0.71073","MoKα","","0.0868","0.0486","","","0.0865","0.0978","","","","","","1.043","","","","has coordinates","229080","2020-10-21","18:00:00",""
"7231064","10.147","0.0009","20.9021","0.0016","11.86","0.0009","90","","109.529","0.002","90","","2370.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.0822","0.055","","","0.1555","0.1674","","","","","","1.072","","","","has coordinates","208779","2020-10-21","18:00:00",""
"7231065","10.1592","0.0018","13.747","0.002","17.824","0.003","90.023","0.005","93.75","0.005","101.015","0.005","2438","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 F N O8 -","- C26 H24 F N O8 -","- C104 H96 F4 N4 O32 -","4","2","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.1095","0.0596","","","0.1479","0.1735","","","","","","1.008","","","","has coordinates","208779","2020-10-21","18:00:00",""
"7231066","10.557","0.003","11.363","0.003","12.92","0.003","112.497","0.007","102.659","0.007","105.65","0.007","1285.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N O9 -","- C27 H27 N O9 -","- C54 H54 N2 O18 -","2","1","","Huang, Ying; Huang, Yi-Xin; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of dispirooxindoles via [3+2] cycloaddition of azomethine ylides to 3-phenacylideneoxindoles and evaluation of their cytotoxicity","RSC Advances","2018","8","42","23990","","10.1039/C8RA04375B","","","0.71073","MoKα","","0.2146","0.0841","","","0.185","0.2341","","","","","","1.01","","","","has coordinates","208779","2020-10-21","18:00:00",""
"7231069","19.8185","0.0005","19.8185","0.0005","26.1867","0.0006","90","","90","","90","","10285.4","0.4","99.96","","99.96","","","","","","","","","5","I -4","I -4","82","","","","- As4 Na5.35 O182.4 U2 W40 -","- As4 Na5.35 O182.4 U2 W40 -","- As8 Na10.7 O364.8 U4 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","","0.71073","MoKα","","0.0743","0.0457","","","0.0917","0.1017","","","","","","0.994","","","","has coordinates","208810","2020-10-21","18:00:00",""
"7231070","23.184","0.002","29.532","0.003","14.5168","0.0013","90","","90","","90","","9939.2","1.6","100","","100","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C3.5 As4 Na13 O226 U4 W40 -","- C3.5 As4 Na13 O226 U4 W40 -","- C7 As8 Na26 O452 U8 W80 -","2","0.25","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.56086","AgKα","","0.0524","0.0408","","","0.1149","0.138","","","","","","1.049","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231071","19.5645","0.0007","26.6677","0.001","38.3039","0.0015","106.064","0.002","96.373","0.002","90.129","0.002","19074.3","1.3","99.97","","99.97","","","","","","","","","6","P -1","-P 1","2","","","","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C3.5 As4 Na7.5 O186.5 U2 W40 -","- C14 As16 Na30 O746 U8 W160 -","4","2","","DUFAYE, Maxime; Duval, Sylvain; Hirsou, Bastien; Stoclet, Grégory; Loiseau, Thierry","Complexation of tetravalent uranium cations by the As4W40O140 cryptand","CrystEngComm","2018","","","","","10.1039/C8CE00873F","","x-ray","0.71073","MoKα","","0.1385","0.0769","","","0.1438","0.1672","","","","","","1.03","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231072","8.42518","0.00012","8.39871","0.00016","20.2469","0.0003","90","","91.5852","0.0013","90","","1432.14","0.04","150.04","0.1","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.0628","0.0587","","","0.1684","0.1727","","","","","","1.03","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231073","8.4668","0.0007","8.4576","0.0008","20.568","0.002","90","","90.676","0.009","90","","1472.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B N O5 -","- C10 H26 B N O5 -","- C40 H104 B4 N4 O20 -","4","1","","Ploszajski, Anna R.; Billing, Matthew; Cockcroft, Jeremy K.; Skipper, Neal T.","Crystalline structure of an ammonia borane‒polyethylene oxide cocrystal: a material investigated for its hydrogen storage potential","CrystEngComm","2018","20","31","4436","","10.1039/C8CE00872H","","x-ray","1.54184","CuKα","","0.119","0.0649","","","0.1692","0.2091","","","","","","1.064","","","","has coordinates","229085","2020-10-21","18:00:00",""
"7231074","28.4389","0.0004","15.9129","0.0002","56.0834","0.0009","90","","91.1396","0.0014","90","","25375.3","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H168 N15 O17 P S -","- C128 H168 N15 O17 P S -","- C1024 H1344 N120 O136 P8 S8 -","8","1","","Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor","Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations.","Physical chemistry chemical physics : PCCP","2018","20","32","20796","20811","10.1039/c8cp02576b","","x-ray","1.54184","CuKα","","0.1164","0.1102","","","0.3782","0.3924","","","","","","1.869","","","","has coordinates,has disorder","230907","2020-10-21","18:00:00",""
"7231075","9.638","0.007","10.144","0.008","15.997","0.011","102.159","0.013","95.626","0.01","101.283","0.007","1483.5","1.9","100","2","100","2","","","","","","","Nathalie Busschaert","5","P -1","-P 1","2","","bis phenylsquaramide","","- C30 H30 N4 O6 S2 -","- C30 H30 N4 O6 S2 -","- C60 H60 N8 O12 S4 -","2","1","","Marques, Igor; Costa, Pedro M. R.; Q Miranda, Margarida; Busschaert, Nathalie; Howe, Ethan N. W.; Clarke, Harriet J.; Haynes, Cally J. E.; Kirby, Isabelle L.; Rodilla, Ananda M.; Pérez-Tomás, Ricardo; Gale, Philip A.; Félix, Vítor","Full elucidation of the transmembrane anion transport mechanism of squaramides using in silico investigations.","Physical chemistry chemical physics : PCCP","2018","20","32","20796","20811","10.1039/c8cp02576b","","","0.71075","MoKα","","0.1013","0.064","","","0.1591","0.1685","","","","","","0.95","","","","has coordinates","230907","2020-10-21","18:00:00",""
"7231076","11.9028","0.0004","12.4757","0.0004","14.8516","0.0005","84.354","0.003","77.044","0.003","75.399","0.003","2077.79","0.12","130","0.1","130","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H24 Cl2 F16 Ir N6 P -","- C39 H24 Cl2 F16 Ir N6 P -","- C78 H48 Cl4 F32 Ir2 N12 P2 -","2","1","","Soulsby, Lachlan C.; Hayne, David J.; Doeven, Egan H.; Wilson, David J. D.; Agugiaro, Johnny; Connell, Timothy U.; Chen, Lifen; Hogan, Conor F.; Kerr, Emily; Adcock, Jacqui L.; Donnelly, Paul S.; White, Jonathan M.; Francis, Paul S.","Mixed annihilation electrogenerated chemiluminescence of iridium(iii) complexes.","Physical chemistry chemical physics : PCCP","2018","20","28","18995","19006","10.1039/c8cp01737a","","x-ray","0.71073","MoKα","","0.0543","0.0439","","","0.1068","0.1119","","","","","","1.032","","","","has coordinates,has disorder","230898","2020-10-21","18:00:00",""
"7231077","13.436","0.003","19.819","0.003","13.591","0.003","90","","118.29","0.02","90","","3186.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl3 N7 O3 -","- C30 H36 Cl3 N7 O3 -","- C120 H144 Cl12 N28 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3471","0.1065","","","0.155","0.2133","","","","","","1.106","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231078","16.7927","0.0012","21.2995","0.0013","14.8349","0.0006","90","","90","","90","","5306.1","0.5","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C46 H72 Br Cl3 N8 O3 -","- C46 H72 Br Cl3 N8 O3 -","- C184 H288 Br4 Cl12 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2022","0.0901","","","0.1589","0.2352","","","","","","0.836","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231079","8.9493","0.0005","22.5028","0.0014","25.721","0.002","90","","90.732","0.006","90","","5179.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 Br3 F N8 O3 -","- C46 H72 Br3 F N8 O3 -","- C184 H288 Br12 F4 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1567","0.0677","","","0.1564","0.2007","","","","","","1.103","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231080","15.372","0.006","21.983","0.006","26.797","0.009","90","","92.632","0.01","90","","9046","5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Br6 F6 N14 O6 Si -","- C60 H70 Br6 F6 N14 O6 Si -","- C240 H280 Br24 F24 N56 O24 Si4 -","4","0.5","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.3126","0.0927","","","0.209","0.2246","","","","","","1.101","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231081","13.6203","0.0007","16.4617","0.0006","25.0998","0.0013","108.871","0.004","95.521","0.004","91.523","0.004","5290.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H143 Cl6 N16 O10 S -","- C92 H143 Cl6 N16 O10 S -","- C184 H286 Cl12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2075","0.0964","","","0.2502","0.312","","","","","","1.173","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231082","19.3717","0.0013","22.5639","0.0014","19.5218","0.001","90","","92.14","0.006","90","","8527","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C77 H110 Cl6 N16 O9 -","- C77 H110 Cl6 N16 O9 -","- C308 H440 Cl24 N64 O36 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2546","0.0973","","","0.1486","0.2015","","","","","","1.161","","","","has coordinates,has disorder","229087","2020-10-21","18:00:00",""
"7231083","13.738","0.002","16.583","0.003","25.631","0.004","108.151","0.015","97.637","0.012","93.047","0.014","5471.6","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H144 Br6 N16 O10 S -","- C92 H144 Br6 N16 O10 S -","- C184 H288 Br12 N32 O20 S2 -","2","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1626","0.099","","","0.2657","0.3247","","","","","","1.193","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231084","13.5642","0.0008","29.3201","0.0014","17.5854","0.0014","90","","109.811","0.008","90","","6579.9","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 N7 O3 -","- C30 H36 Br3 N7 O3 -","- C240 H288 Br24 N56 O24 -","8","2","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.2589","0.0703","","","0.141","0.2393","","","","","","0.884","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231085","16.6856","0.0013","21.5029","0.0018","14.7395","0.0013","90","","90","","90","","5288.4","0.8","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H71 Cl4 N8 O3 -","- C46 H71 Cl4 N8 O3 -","- C184 H284 Cl16 N32 O12 -","4","1","","Manna, Utsab; Das, Gopal","Halo-methylphenyl substituted neutral tripodal receptors for cation-assisted encapsulation of anionic guests of varied dimensionality","CrystEngComm","2018","20","31","4406","","10.1039/C8CE00885J","","","0.71073","MoKα","","0.1871","0.0956","","","0.1837","0.2218","","","","","","1.19","","","","has coordinates","229087","2020-10-21","18:00:00",""
"7231086","19.954","0.003","9.7592","0.0012","7.2875","0.001","90","","90","","90","","1419.1","0.3","173","0.1","173","0.1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0582","0.0449","","","0.099","0.1091","","","","","","1.059","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231087","12.4512","0.0009","19.7388","0.0014","14.6081","0.0015","90","","90","","90","","3590.3","0.5","172.8","0.3","172.8","0.3","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H35 N4 O4 -","- C48 H35 N4 O4 -","- C192 H140 N16 O16 -","4","0.5","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0847","0.0559","","","0.1299","0.1477","","","","","","1.033","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231088","21.627","0.002","7.3399","0.0007","20.281","0.003","90","","117.943","0.007","90","","2844.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21.7 N2 O6.85 -","- C29 H21.7 N2 O6.85 -","- C116 H86.8 N8 O27.4 -","4","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1492","0.0821","","","0.2051","0.2523","","","","","","0.992","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231089","7.1365","0.0009","22.3829","0.0014","30.1328","0.0015","90","","90","","90","","4813.3","0.7","200","0.1","200","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C256 H192 N16 O16 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1141","0.0593","","","0.1003","0.1224","","","","","","1.005","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231090","13.1102","0.0005","14.3955","0.0006","30.2012","0.0014","90","","90","","90","","5699.8","0.4","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C31 H25.5 N2.5 O7 -","- C31 H23 N2.5 O7 -","- C248 H184 N20 O56 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.1011","0.068","","","0.1947","0.2262","","","","","","1.035","","","","has coordinates","229083","2020-10-21","18:00:00",""
"7231091","52.2362","0.0018","7.4175","0.0003","32.1601","0.0012","90","","104.831","0.004","90","","12045.7","0.8","200.05","0.1","200.05","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H55.5 N6 O10.75 -","- C72 H55.5 N6 O10.75 -","- C576 H444 N48 O86 -","8","1","","Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius","Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors","CrystEngComm","2018","20","31","4463","","10.1039/C8CE00945G","","","0.71073","MoKα","","0.0938","0.0655","","","0.1671","0.1859","","","","","","1.052","","","","has coordinates,has disorder","229083","2020-10-21","18:00:00",""
"7231092","28.5523","0.0008","28.5523","0.0008","28.3085","0.001","90","","90","","120","","19986.2","1.1","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","poly-{[tris(mu7-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':k2O'''',O''''':kO'''':kO''''')bis(mu9-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO:kO':kO'':kO'':kO''':kO'''':kO'''':kO''''')(mu6-1,3,5-tris(4-carboxyphenyl)benzene-kO:kO':kO'':kO''':kO'''':kO''''')nonakis(dimethylformamide)octadecacalcium(II)] heneicosa(dimetylfomramide)}","","- C84 H100 Ca3 N10 O22 -","- C66 H58 Ca3 N4 O16 -","- C594 H522 Ca27 N36 O144 -","9","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0933","0.0637","","","0.1558","0.1697","","","","","","0.991","","","","has coordinates","228950","2020-10-21","18:00:00",""
"7231093","10.8141","0.0012","10.8141","0.0012","10.244","0.002","90","","90","","120","","1037.5","0.3","100","2","100","2","","","","","","","","5","P 31","P 31","144","","poly-[(mu5-2-amino-1,4-benzenedicarboxylate -kO:k2O,O':kO':k2O'',O''':kO'')(dimethylformamide)barium(II)]","","- C11 H12 Ba N2 O5 -","- C11 H5 Ba N2 O5 -","- C33 H15 Ba3 N6 O15 -","3","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0386","0.0359","","","0.074","0.0759","","","","","","1.041","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231094","12.54","0.005","6.683","0.005","19.46","0.005","90","","116.17","0.02","90","","1463.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly-{[diaqua(mu-1,4-benzenedicarboxylate-k2O,O':k2O'',O''')(mu6-1,4-benzenedicarboxylate-?O:?2O,O':?O':?O'':?2O'',O''':?O''' ) bis(dimethylformamide)dicalcium(II)] tetrahydrate}","","- C11 H17 Ca N O8 -","- C11 H13 Ca N O6 -","- C44 H52 Ca4 N4 O24 -","4","1","","Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando","Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior","CrystEngComm","2018","20","33","4793","","10.1039/C8CE00479J","","","0.71073","MoKα","","0.0581","0.0502","","","0.1472","0.1543","","","","","","1.061","","","","has coordinates,has disorder","228950","2020-10-21","18:00:00",""
"7231095","9.7181","0.0005","11.6016","0.0007","12.0845","0.0007","69.98","0.004","78.308","0.004","71.223","0.004","1205.45","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-(9H-fluoren-9-yl)-1,2,3,4-tetrahydroisoquinoline","","- C29 H29 N5 -","- C29 H29 N5 -","- C58 H58 N10 -","2","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.0888","0.0599","","","0.1354","0.1544","","","","","","0.978","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231096","8.154","0.0014","14.767","0.002","16.628","0.003","90.056","0.011","100.409","0.011","90.188","0.011","1969.2","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","5-(1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-tert-butyl-1H-tetrazole","","- C22 H25 N5 -","- C22 H25 N5 -","- C88 H100 N20 -","4","2","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.1677","0.1109","","","0.2542","0.3007","","","","","","0.931","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231097","9.5211","0.001","11.9295","0.0007","20.9205","0.0017","90","","100.11","0.008","90","","2339.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((2S,5R)-5-(1-(4-chlorobenzyl)-1H-tetrazol-5-yl)-1-(9H-fluoren-9-yl)pyrrolidin-2-yl)methanol","","- C26 H24 Cl N5 O -","- C26 H24 Cl N5 O -","- C104 H96 Cl4 N20 O4 -","4","2","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.1806","0.0723","","","0.0854","0.1282","","","","","","0.961","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231098","10.7702","0.0004","13.9788","0.0004","15.802","0.0006","90","","109.391","0.004","90","","2244.11","0.15","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","5-(1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-(2,6-dimethylphenyl)-1H-tetrazole","","- C26 H25 N5 -","- C26 H25 N5 -","- C104 H100 N20 -","4","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.0788","0.0536","","","0.1447","0.1626","","","","","","1.002","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231099","13.8953","0.0007","9.4127","0.0005","16.851","0.0008","90","","97.186","0.004","90","","2186.67","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-((R)-1-(9H-fluoren-9-yl)pyrrolidin-2-yl)-1-((R)-1-phenylethyl)-1H-tetrazole","","- C26 H25 N5 -","- C26 H25 N5 -","- C104 H100 N20 -","4","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.1018","0.0786","","","0.22","0.2368","","","","","","0.979","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231100","11.3769","0.0003","17.6453","0.0005","11.4216","0.0003","90","","96.532","0.002","90","","2277.99","0.11","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-(1-tert-butyl-1H-tetrazol-5-yl)-2-(9H-fluoren-9-yl)-1,2,3,4-tetrahydroisoquinoline","","- C1.61 H1.61 N0.3 -","- C1.61194 H1.61194 N0.298507 -","- C108 H108 N20 -","67","16.75","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.0622","0.0492","","","0.1581","0.1694","","","","","","1.442","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231101","9.5012","0.001","15.8064","0.0015","18.7456","0.0017","90","","90","","90","","2815.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-(9H-fluoren-9-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(1-((R)-1-phenylethyl)-1H-tetrazol-5-yl)isoquinoline","","- C33 H31 N5 O2 -","- C33 H31 N5 O2 -","- C132 H124 N20 O8 -","4","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.067","0.0434","","","0.088","0.0972","","","","","","0.95","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231102","21.5521","0.0008","7.4568","0.0003","11.8391","0.0005","90","","97.832","0.002","90","","1884.91","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O S3 -","- C17 H18 N4 O S3 -","- C68 H72 N16 O4 S12 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0564","0.0525","","","0.1455","0.1492","","","","","","1.043","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231103","13.212","0.0012","8.2301","0.0008","28.449","0.002","90","","95.856","0.006","90","","3077.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C128 H112 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1091","0.0966","","","0.2433","0.2531","","","","","","1.039","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231104","8.4909","0.0002","10.4575","0.0002","17.7945","0.0004","90","","100.289","0.001","90","","1554.63","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N4 S2 -","- C16 H14 N4 S2 -","- C64 H56 N16 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0393","0.0357","","","0.0937","0.0961","","","","","","1.035","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231105","6.7644","0.0005","7.2881","0.0005","21.7998","0.0015","92.975","0.003","93.114","0.002","101.098","0.003","1050.93","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H14 Br N4 O3 Re S2 -","- C19 H14 Br N4 O3 Re S2 -","- C38 H28 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0325","0.0288","","","0.0717","0.0739","","","","","","1.054","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231106","13.674","0.0003","10.4643","0.0002","19.2746","0.0004","90","","110.406","0.001","90","","2584.9","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cl N4 O3 Re S2 -","- C25 H18 Cl N4 O3 Re S2 -","- C100 H72 Cl4 N16 O12 Re4 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0303","0.0285","","","0.0775","0.08","","","","","","1.002","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231107","7.658","0.003","8.649","0.003","16.281","0.011","90.16","0.03","97.44","0.04","99.22","0.02","1055.2","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C4.75 H3.5 Cl0.25 N O0.75 Re0.25 S0.5 -","- C38 H28 Cl2 N8 O6 Re2 S4 -","8","4","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0229","0.0211","","","0.0534","0.0546","","","","","","1.061","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231108","10.2951","0.0008","16.0225","0.0016","13.4259","0.0011","90","","104.251","0.006","90","","2146.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C40 H30 Br0 N8 O6 Re2 S4 -","- C40 H30 N8 O6 Re2 S4 -","- C80 H60 N16 O12 Re4 S8 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0903","0.0461","","","0.0922","0.1031","","","","","","0.907","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231109","7.0142","0.001","10.5833","0.0015","26.777","0.004","90","","92.457","0.008","90","","1985.9","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O2 S2 -","- C19 H22 N4 O2 S2 -","- C76 H88 N16 O8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0982","0.0768","","","0.2154","0.2405","","","","","","1.072","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231110","11.1685","0.0011","11.8169","0.0012","14.2696","0.0015","67.082","0.004","69.126","0.003","83.278","0.004","1620.2","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Br N4 O3 Re S2 -","- C32 H26 Br N4 O3 Re S2 -","- C64 H52 Br2 N8 O6 Re2 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0296","0.0263","","","0.0665","0.0688","","","","","","1.082","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231111","8.6134","0.0003","11.6521","0.0005","12.9674","0.0005","65.0899","0.0012","83.9903","0.0015","89.3394","0.0018","1173.13","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br N4 O5 Re S -","- C20 H16 Br N4 O5 Re S -","- C40 H32 Br2 N8 O10 Re2 S2 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0353","0.0344","","","0.1029","0.1047","","","","","","1.146","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231112","7.0286","0.0003","7.2375","0.0003","21.0132","0.0009","93.789","0.003","96.875","0.002","116.45","0.003","941.55","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O2 S2 -","- C18 H20 N4 O2 S2 -","- C36 H40 N8 O4 S4 -","2","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1158","0.0622","","","0.1508","0.185","","","","","","1.016","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231113","24.5508","0.0005","4.84793","0.00009","31.325","0.0006","90","","106.774","0.0009","90","","3569.69","0.12","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 N4 S2 -","- C17 H16 N4 S2 -","- C136 H128 N32 S16 -","8","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0419","0.0376","","","0.1276","0.1417","","","","","","0.617","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231114","7.6843","0.0002","12.5075","0.0003","16.6105","0.0004","72.8951","0.0007","82.2567","0.0008","83.5158","0.001","1507.39","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","- C64 H50 N8 O6 Re2 S4 -","1","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.033","0.0293","","","0.0732","0.075","","","","","","1.078","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231115","15.0539","0.001","17.4103","0.0012","20.9041","0.0014","74.153","0.004","73.586","0.004","88.641","0.004","5047.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H33 N8 O6.5 Re2 S4 -","- C48 H30 N8 O6 Re2 S4 -","- C192 H120 N32 O24 Re8 S16 -","4","2","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.1513","0.1087","","","0.282","0.3034","","","","","","1.106","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231116","9.8797","0.0009","15.051","0.0013","18.02","0.0017","90","","96.779","0.003","90","","2660.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl0 N8 O8 Re2 S2 -","- C50 H34 N8 O8 Re2 S2 -","- C100 H68 N16 O16 Re4 S4 -","2","0.5","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","0.71073","MoKα","","0.0569","0.0461","","","0.0827","0.0852","","","","","","1.212","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231117","10.5694","0.0007","14.1822","0.001","20.5737","0.0014","90","","98.892","0.003","90","","3046.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N4 O8 Re2 S2 -","- C26 H24 N4 O8 Re2 S2 -","- C104 H96 N16 O32 Re8 S8 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0435","0.0394","","","0.1091","0.1146","","","","","","1.062","","","","has coordinates","228947","2020-10-21","18:00:00",""
"7231118","10.3658","0.0015","10.1221","0.0015","38.934","0.005","90","","94.518","0.006","90","","4072.4","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N8 O6 Re2 S4 -","- C38 H26 N8 O6 Re2 S4 -","- C152 H104 N32 O24 Re8 S16 -","4","1","","Pino-Cuevas, Arantxa; Graña, Ana; Abram, Ulrich; Carballo, Rosa; Vázquez-López, Ezequiel M.","Structural study of mono-, di- and tetranuclear complexes of the {Re(CO)3}+ fragment with thiosemicarbazone/thiosemicarbazonate ligands containing benzothiazole or benzoxazole groups","CrystEngComm","2018","20","33","4781","","10.1039/C8CE00874D","","","1.54178","CuKα","","0.0374","0.0336","","","0.0948","0.0979","","","","","","1.002","","","","has coordinates,has disorder","228947","2020-10-21","18:00:00",""
"7231119","6.8413","0.0003","6.8413","0.0003","18.8196","0.0012","90","","90","","90","","880.82","0.08","101.8","","101.8","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","3-Nitro-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","1","","Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping","Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole","RSC Advances","2018","8","43","24627","","10.1039/C8RA04116D","","","0.7107","MoKα","","0.041","0.0375","","","0.086","0.0883","","","","","","1.098","","","","has coordinates","208964","2020-10-21","18:00:00",""
"7231120","8.7895","0.0006","10.0707","0.0008","9.9645","0.0005","90","","107.082","0.006","90","","843.11","0.1","101.8","","101.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Nitro-1,2,4-triazole","","- C2 H2 N4 O2 -","- C2 H2 N4 O2 -","- C16 H16 N32 O16 -","8","2","","Zhang, Pengcheng; Zhao, Xiuxiu; Du, Yao; Gozin, Michael; Li, Shenghua; Pang, Siping","Polymorphism, phase transformation and energetic properties of 3-nitro-1,2,4-triazole","RSC Advances","2018","8","43","24627","","10.1039/C8RA04116D","","","0.7107","MoKα","","0.0378","0.0318","","","0.0734","0.0772","","","","","","1.078","","","","has coordinates","208964","2020-10-21","18:00:00",""
"7231121","12.0843","0.0006","19.092","0.0009","20.1439","0.001","90","","91.114","0.002","90","","4646.6","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C47 H36 Co2 N8 O13 -","- C47 H36 Co2 N8 O13 -","- C188 H144 Co8 N32 O52 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.1127","0.0656","","","0.1122","0.1294","","","","","","1.09","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231122","13.2168","0.0005","13.4274","0.0005","13.7151","0.0005","74.321","0.001","70.086","0.001","61.743","0.001","1998.2","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H35 Cd2 N6 O12 -","- C44 H35 Cd2 N6 O12 -","- C88 H70 Cd4 N12 O24 -","2","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0398","0.0356","","","0.0966","0.0993","","","","","","1.064","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231123","13.928","0.005","22.935","0.008","21.219","0.006","90","","107.49","0.02","90","","6465","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C140 H98 Mn5 N16 O46 -","- C140 H98 Mn5 N16 O46 -","- C280 H196 Mn10 N32 O92 -","2","0.5","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.107","0.0634","","","0.1741","0.2025","","","","","","1.032","","","","has coordinates,has disorder","228946","2020-10-21","18:00:00",""
"7231124","25.7978","0.0013","14.0191","0.0005","26.2388","0.0009","90","","114.875","0.003","90","","8609.2","0.6","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C164 H128 Cd8 N24 O54 -","- C164 H128 Cd8 N24 O54 -","- C328 H256 Cd16 N48 O108 -","2","0.25","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0827","0.0587","","","0.1533","0.1667","","","","","","1.041","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231125","11.051","0.0004","29.4197","0.0011","10.4787","0.0004","90","","97.215","0.001","90","","3379.8","0.2","293","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cd2 N4 O11 -","- C37 H26 Cd2 N4 O11 -","- C148 H104 Cd8 N16 O44 -","4","1","","Fan, Liming; Zhang, Yujuan; Liang, Jinfang; Wang, Xiaoqing; Lv, Hongxiao; Wang, Jiang; Zhao, Li; Zhang, Xiutang","Structural diversity, magnetic properties, and luminescence sensing of five 3D coordination polymers derived from designed 3,5-di(2′,4′-dicarboxylphenyl)benozoic acid","CrystEngComm","2018","20","33","4752","","10.1039/C8CE00877A","","","0.71073","MoKα","","0.0652","0.0398","","","0.0844","0.0927","","","","","","1.02","","","","has coordinates","228946","2020-10-21","18:00:00",""
"7231126","9.6","0.0004","9.86","0.0004","37.7277","0.0017","90","","90","","90","","3571.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br3 Dy N6 O8 -","- C30 H34 Br3 Dy N6 O8 -","- C120 H136 Br12 Dy4 N24 O32 -","4","1","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0654","0.0451","","","0.0504","0.0534","","","","","","1.085","","","","has coordinates","228924","2020-10-21","18:00:00",""
"7231127","18.0243","0.0008","10.3625","0.0004","20.7752","0.0009","90","","107.417","0.002","90","","3702.4","0.3","166","2","166","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Cl2 Dy N7 O17 -","- C30 H30 Cl2 Dy N7 O17 -","- C120 H120 Cl8 Dy4 N28 O68 -","4","2","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0471","0.0535","","","","","","1.033","","","","has coordinates,has disorder","228924","2020-10-21","18:00:00",""
"7231128","6.866","0.004","23.629","0.015","10.181","0.006","90","","107.96","0.02","90","","1571.2","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl6 Cu N4 O0.5 Re -","- C8 H6 Cl6 Cu N4 O0.5 Re -","- C32 H24 Cl24 Cu4 N16 O2 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0422","0.0373","","","0.125","0.1287","","","","","","1.023","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231129","6.8596","0.0002","24.0998","0.0009","12.4418","0.0005","90","","102.665","0.002","90","","2006.77","0.13","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br2 Cl7 Cu N4 Re -","- C9 H7 Br2 Cl7 Cu N4 Re -","- C36 H28 Br8 Cl28 Cu4 N16 Re4 -","4","1","","Armentano, Donatella; Sanchis-Perucho, Adrián; Rojas-Dotti, Carlos; Martínez-Lillo, José","Halogen⋯halogen interactions in the self-assembly of one-dimensional 2,2′-bipyrimidine-based CuIIReIV systems","CrystEngComm","2018","20","32","4575","","10.1039/C8CE00996A","","","0.71073","MoKα","","0.0346","0.0312","","","0.0932","0.0948","","","","","","1.181","","","","has coordinates","228926","2020-10-21","18:00:00",""
"7231130","10.09473","0.00011","10.11978","0.00011","16.43719","0.00017","78.2801","0.0009","76.5644","0.0009","78.9663","0.0009","1580.73","0.03","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H26 Si2 -","- C40 H26 Si2 -","- C80 H52 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0404","0.0369","","","0.1129","0.1167","","","","","","0.9496","","","","has coordinates","209025","2020-10-21","18:00:00",""
"7231131","10.3826","0.0002","11.6392","0.0002","14.3255","0.0002","98.55","0.001","97.125","0.001","107.149","0.001","1609.8","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Cl2 O Si2 -","- C41 H28 Cl2 O Si2 -","- C82 H56 Cl4 O2 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0415","0.0395","","","0.1059","0.108","","","","","","1.0346","","","","has coordinates","209025","2020-10-21","18:00:00",""
"7231132","10.0656","0.0001","11.6376","0.0001","17.0207","0.0001","81.018","0.001","82.595","0.001","71.977","0.001","1865.81","0.03","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 Si2 -","- C48 H42 Si2 -","- C96 H84 Si4 -","2","1","","Tokoro, Yuichiro; Ohtsuka, Nobuhiko; Fukuzawa, Shin-ichi; Oyama, Toshiyuki","Intra- and intermolecular interaction of anthracene moieties in 7,8-disilabicyclo[3.3.0]octadienyl-bridged bisanthracenes","RSC Advances","2018","8","44","25177","","10.1039/C8RA05293J","","x-ray","1.54184","CuKα","","0.0492","0.0449","","","0.1286","0.1325","","","","","","1.0351","","","","has coordinates,has disorder","209025","2020-10-21","18:00:00",""
"7231133","19.385","0.002","21.884","0.002","9.657","0.002","90","0","90","0","90","0","4096.7","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 N O5 -","- C50 H49 N O5 -","- C200 H196 N4 O20 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.066","","","","0.059","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231134","9.453","0.003","40.907","0.005","9.917","0.003","90","","91.57","0.02","90","","3833.4","1.7","248","","248","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H47 N O6 -","- C45 H47 N O6 -","- C180 H188 N4 O24 -","4","2","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","1.54184","CuKα","","0.049","0.041","","","","0.122","","","","","","1.05","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231135","5.51895","0.00007","15.5145","0.0002","22.2271","0.0003","90","","94.4499","0.0012","90","","1897.43","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H43.95 B N5 O10 -","- C41 H43.95 B N5 O10 -","- C82 H87.9 B2 N10 O20 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1029","0.1045","","","","","","1.042","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231136","30.9663","0.0009","13.3119","0.0004","7.0955","0.0003","90","","93.965","0.003","90","","2917.91","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H32 B N5 O8 -","- C32 H32 B N5 O8 -","- C128 H128 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0485","0.0425","","","0.1147","0.117","","","","","","1.043","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231137","28.62","0.0011","5.25819","0.00014","28.609","0.0009","90","","113.834","0.004","90","","3938.2","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H42 B N5 O8 -","- C41 H42 B N5 O8 -","- C164 H168 B4 N20 O32 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0396","0.0364","","","0.095","0.0972","","","","","","1.039","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231138","18.536","0.004","23.101","0.003","8.508","0.003","90","","90","","90","","3643.1","1.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H45 N O6 -","- C176 H180 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","0.186","0.06","","","","0.125","","","","","","1.07","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231139","18.496","0.004","23.466","0.004","8.523","0.005","90","","90","","90","","3699","2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H41.8 N O6 -","- C176 H167.2 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.113","","","","0.154","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231140","5.5624","0.00009","19.1848","0.0003","16.7363","0.0003","90","","95.1248","0.0015","90","","1778.85","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H42 B N5 O8 -","- C36.9999 H41.9997 B N5 O8 -","- C73.9998 H83.9994 B2 N10 O16 -","2","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","x-ray","1.54184","CuKα","","0.0322","0.03","","","0.0702","0.0714","","","","","","1.011","","","","has coordinates,has disorder","228942","2020-10-21","18:00:00",""
"7231141","8.4955","0.0014","27.439","0.004","16.401","0.002","90","","95.394","0.005","90","","3806.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.3528","0.1526","","","0.3991","0.5001","","","","","","1.096","","","","has coordinates,has disorder","228969","2020-10-21","18:00:00",""
"7231142","8.4607","0.001","27.278","0.003","16.4849","0.0019","90","","95.116","0.003","90","","3789.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.2795","0.104","","","0.2785","0.3753","","","","","","0.96","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231143","8.2378","0.0007","16.8515","0.001","27.139","0.002","90","","97.961","0.005","90","","3731.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(2-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.119","0.0628","","","0.1501","0.1994","","","","","","1.065","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231144","8.3729","0.0005","15.8749","0.001","27.9083","0.0016","90","","94.283","0.004","90","","3699.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate)(1-cyanoethyl)bis(dimethylglyoximato)cobalt(III)","","- C37 H41 Co N8 O9 -","- C37 H41 Co N8 O9 -","- C148 H164 Co4 N32 O36 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","0.78344","Synchrotron","","0.2174","0.0924","","","0.2383","0.3357","","","","","","0.936","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231145","22.4072","0.0006","8.3342","0.0003","12.0143","0.0004","90","","90.452","0.002","90","","2243.55","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethyl isonicotinate","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","Sekine, Akiko; Tanaka, Masato; Uekusa, Hidehiro; Yasuda, Nobuhiro","In situ control of photochromic behavior through dual photo-isomerization using cobaloxime complexes with a spiropyran derivative and 2-cyanoethyl ligands","CrystEngComm","2018","20","39","6061","","10.1039/C8CE00982A","","","1.54186","CuKα","","0.048","0.0434","","","0.1222","0.1259","","","","","","1.112","","","","has coordinates","228969","2020-10-21","18:00:00",""
"7231146","12.212","0.005","14.092","0.005","16.78","0.006","90","","95.617","0.009","90","","2873.8","1.9","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C25 H24 Co N4 O4 S -","- C25 H24 Co N4 O4 S -","- C100 H96 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.1463","0.0966","","","0.2684","0.3101","","","","","","1.073","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231147","11.3482","0.0004","18.4529","0.0007","14.3356","0.0005","90","","96.578","0.007","90","","2982.22","0.19","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Co N6 O7 S -","- C30 H27 Co N6 O7 S -","- C120 H108 Co4 N24 O28 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.70932","","","0.0736","0.0538","","","0.0985","0.1048","","","","","","1.121","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231148","11.5511","0.0006","8.067","0.0005","29.2049","0.0015","90","","99.972","0.003","90","","2680.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 Co N6 O5 -","- C31 H24 Co N6 O5 -","- C124 H96 Co4 N24 O20 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0789","0.0743","","","0.2239","0.2332","","","","","","1.051","","","","has coordinates","229142","2020-10-21","18:00:00",""
"7231149","22.37","0.004","12.624","0.003","15.05","0.003","90","","125.507","0.002","90","","3459.8","1.2","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H28 Co N4 O4 S -","- C41 H28 Co N4 O4 S -","- C164 H112 Co4 N16 O16 S4 -","4","1","","Fan, Chuanbin; Zong, Ziao; Zhang, Xia; Xu, Cungang; Zhu, Zheng; Meng, Xiangmin; Bi, Shuangyu; Fan, Yuhua","Rational assembly of functional Co-MOFs via a mixed-ligand strategy: synthesis, structure, topological variation, photodegradation properties and dye adsorption","CrystEngComm","2018","20","34","4973","","10.1039/C8CE00868J","","","0.71073","MoKα","","0.0557","0.0511","","","0.1424","0.1461","","","","","","1.09","","","","has coordinates,has disorder","229142","2020-10-21","18:00:00",""
"7231150","7.4917","0.0003","10.1964","0.0005","10.7392","0.0005","87.751","0.002","88.834","0.002","83.063","0.002","813.62","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0227","0.0218","","","0.0585","0.0592","","","","","","1.031","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231151","7.5057","0.0003","10.1962","0.0004","10.7404","0.0004","87.714","0.001","88.893","0.002","83.112","0.002","815.29","0.05","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0232","0.022","","","0.0586","0.0593","","","","","","1.08","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231152","7.4983","0.0004","10.1975","0.0005","10.7404","0.0005","87.741","0.002","88.851","0.002","83.088","0.002","814.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0234","0.0222","","","0.0576","0.0584","","","","","","1.067","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231153","7.5903","0.0003","10.1829","0.0005","10.727","0.0005","87.424","0.002","89.206","0.002","83.038","0.002","822.13","0.06","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0253","0.0232","","","0.062","0.0632","","","","","","1.073","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231154","7.5714","0.0003","10.1868","0.0004","10.7325","0.0004","87.5","0.002","89.133","0.002","83.101","0.002","820.96","0.06","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0258","0.0238","","","0.0641","0.0654","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231155","7.6514","0.0004","10.1654","0.0005","10.7076","0.0005","87.165","0.002","89.37","0.002","82.714","0.002","825.09","0.07","320","2","320","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0287","0.0248","","","0.0667","0.07","","","","","","1.078","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231156","7.5146","0.0003","10.1954","0.0005","10.7392","0.0005","87.694","0.002","88.929","0.002","83.133","0.002","816.13","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0236","0.0222","","","0.0593","0.0602","","","","","","1.074","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231157","7.6329","0.0003","10.1735","0.0005","10.7153","0.0004","87.25","0.002","89.324","0.002","82.838","0.002","824.62","0.06","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0271","0.0243","","","0.0665","0.0681","","","","","","1.129","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231158","7.6121","0.0004","10.1784","0.0005","10.7213","0.0005","87.353","0.002","89.26","0.002","82.962","0.002","823.51","0.07","280","2","280","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0259","0.0235","","","0.0649","0.0664","","","","","","1.089","","","","has coordinates,has disorder","228943","2020-10-21","18:00:00",""
"7231159","7.5387","0.0003","10.1927","0.0004","10.7387","0.0004","87.619","0.001","89.025","0.002","83.164","0.002","818.52","0.06","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0244","0.0227","","","0.061","0.062","","","","","","1.09","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231160","7.5253","0.0003","10.195","0.0005","10.7396","0.0005","87.661","0.002","88.969","0.002","83.149","0.002","817.31","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.0241","0.0226","","","0.0606","0.0613","","","","","","1.07","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231161","7.5544","0.0004","10.1904","0.0005","10.7369","0.0005","87.569","0.002","89.073","0.002","83.151","0.002","819.86","0.07","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","- C22 H34 Co N2 O24 Zn2 -","1","0.5","","Shrivastava, Ashutosh; Negi, Lalita; Das, Dinabandhu","Area negative thermal expansion in a mixed metal mixed organic MOF: “elevator-platform” mechanism induced by O‒H⋯O hydrogen bonding","CrystEngComm","2018","20","33","4719","","10.1039/C8CE00939B","","","0.71073","MoKα","","0.025","0.0233","","","0.0629","0.0638","","","","","","1.086","","","","has coordinates","228943","2020-10-21","18:00:00",""
"7231162","14.726","0.002","15.126","0.002","13.5397","0.0018","90","","116.871","0.006","90","","2690.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Mg3 O20 -","- C36 H22 Mg3 O20 -","- C72 H44 Mg6 O40 -","2","0.5","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.1926","0.0883","","","0.1995","0.2344","","","","","","0.996","","","","has coordinates","209074","2020-10-21","18:00:00",""
"7231163","8.0079","0.0007","16.83","0.0015","19.043","0.0016","90","","100.254","0.002","90","","2525.5","0.4","295","2","295.38","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Mg N2 O12 -","- C24 H26 Mg N2 O12 -","- C96 H104 Mg4 N8 O48 -","4","1","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.0953","0.0694","","","0.1722","0.1886","","","","","","1.083","","","","has coordinates,has disorder","209074","2020-10-21","18:00:00",""
"7231164","16.8934","0.0015","14.199","0.0013","12.0673","0.0011","90","","115.993","0.002","90","","2601.8","0.4","295","2","295.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Mg-110","","","- C18 H16 Mg2 O13 -","- C18 H16 Mg2 O13 -","- C72 H64 Mg8 O52 -","4","0.5","","Yang, Zhu-Xi; Qian, Yin; Yu, Jing-Wei; Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming","Dimensionality of luminescent coordination polymers of magnesium ions and 1,1′-ethynebenzene-3,3′,5,5′-tetracarboxylic acid modulated by structural inducing agents","RSC Advances","2018","8","45","25489","","10.1039/C8RA04875D","","","0.71073","MoKα","","0.0857","0.0562","","","0.1408","0.1542","","","","","","1.038","","","","has coordinates","209074","2020-10-21","18:00:00",""
"7231165","11.9891","0.001","12.0802","0.001","15.8425","0.0014","92.359","0.003","109.803","0.002","108.441","0.003","2019.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H31 Fe2 O8 Ru2 S2 -","- C43 H31 Fe2 O8 Ru2 S2 -","- C86 H62 Fe4 O16 Ru4 S4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0601","0.0435","","","0.0911","0.1041","","","","","","1.097","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231166","17.659","0.003","10.0342","0.0019","33.191","0.007","90","","101.971","0.005","90","","5753.3","1.9","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H12 Fe O11 Ru3 S -","- C27 H12 Fe O11 Ru3 S -","- C216 H96 Fe8 O88 Ru24 S8 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0301","0.0255","","","0.0497","0.0511","","","","","","1.193","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231167","9.8872","0.0005","24.2002","0.0012","15.6004","0.0008","90","","96.503","0.002","90","","3708.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Fe2 O8 Ru2 -","- C44 H28 Fe2 O8 Ru2 -","- C176 H112 Fe8 O32 Ru8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0315","0.0245","","","0.0501","0.0529","","","","","","1.074","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231168","12.0452","0.0005","18.9355","0.0008","16.732","0.0008","90","","107.767","0.002","90","","3634.3","0.3","154","2","154","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Fe2 O8 Ru2 S2 -","- C40 H24 Fe2 O8 Ru2 S2 -","- C160 H96 Fe8 O32 Ru8 S8 -","4","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0298","0.0259","","","0.0614","0.0632","","","","","","1.097","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231169","14.508","0.004","8.676","0.003","34.637","0.01","90","","99.749","0.01","90","","4297","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5.03 H2.74 Fe0.23 O1.37 Ru0.34 S0.23 -","- C5.02857 H2.74286 Fe0.228571 O1.37143 Ru0.342857 S0.228571 -","- C176 H96 Fe8 O48 Ru12 S8 -","35","8.75","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.1147","0.1088","","","0.2718","0.275","","","","","","1.094","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231170","12.42","0.002","12.656","0.002","14.05","0.002","94.236","0.005","106.349","0.005","107.077","0.005","1996","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 Fe2 O8 Ru2 -","- C44 H28 Fe2 O8 Ru2 -","- C88 H56 Fe4 O16 Ru4 -","2","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0323","0.0294","","","0.0695","0.0711","","","","","","1.108","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231171","22.884","0.0019","15.4397","0.0013","23.772","0.002","90","","90","","90","","8399.2","1.2","153","2","153","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C45 H30 Cl2 Fe2 N2 O10 Ru2 -","- C360 H240 Cl16 Fe16 N16 O80 Ru16 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.0319","0.0248","","","0.0553","0.0594","","","","","","1.064","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231172","13.995","0.004","11.729","0.004","34.893","0.012","90","","90","","90","","5728","3","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H15 Fe N O11 Ru3 -","- C29 H15 Fe N O11 Ru3 -","- C232 H120 Fe8 N8 O88 Ru24 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.039","0.027","","","0.0592","0.0651","","","","","","0.888","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231173","29.747","0.009","19.893","0.006","15.727","0.006","90","","114.924","0.012","90","","8440","5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Fe2 N2 O8 Ru2 -","- C44 H30 Fe2 N2 O8 Ru2 -","- C352 H240 Fe16 N16 O64 Ru16 -","8","1","","Xu, Lei; Jiang, Liping; Li, Shasha; Zhang, Guofang; Zhang, Weiqiang; Gao, Ziwei","Reaction of FcCCC(O)R (Fc = ferrocenyl) with Ru3(CO)12 leading to unexpected nitro-group reduced ruthenoles and 1,2-CO-inserted triruthenium clusters","RSC Advances","2018","8","45","25268","","10.1039/C8RA04548H","","","0.71073","MoKα","","0.072","0.0533","","","0.1256","0.1396","","","","","","1.072","","","","has coordinates","209075","2020-10-21","18:00:00",""
"7231174","11.31549","0.00016","9.66903","0.00015","9.86401","0.00015","90","","96.4687","0.0013","90","","1072.35","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","0.5","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","","1.54187","CuKα","","0.0528","0.0497","","","0.1383","0.1424","","","","","","1.07","","","","has coordinates","229115","2020-10-21","18:00:00",""
"7231175","9.7334","0.0002","9.9244","0.0002","12.491","0.0003","89.585","0.002","69.561","0.002","67.774","0.002","1035.74","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O2 -","- C24 H22 Cl2 N2 O2 -","- C48 H44 Cl4 N4 O4 -","2","1","","So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya","Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements","CrystEngComm","2018","20","36","5317","","10.1039/C8CE00940F","","x-ray","1.54184","CuKα","","0.045","0.0417","","","0.1185","0.1215","","","","","","1.059","","","","has coordinates,has disorder","229115","2020-10-21","18:00:00",""
"7231176","10.986","0.0004","21.7326","0.0007","8.8856","0.0004","90","","108.941","0.004","90","","2006.6","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N14 O4 Pb2 -","- C38 H34 N14 O4 Pb2 -","- C76 H68 N28 O8 Pb4 -","2","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","1.5418","CuKα","","0.0854","0.0721","","","0.1757","0.1875","","","","","","0.999","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231177","9.2807","0.0013","10.2962","0.0015","10.9703","0.0013","103.736","0.002","105.229","0.003","102.2","0.002","939.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Br N4 O2 Pb -","- C18 H15 Br N4 O2 Pb -","- C36 H30 Br2 N8 O4 Pb2 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.033","0.0294","","","0.067","0.0703","","","","","","1.145","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231178","9.7763","0.0006","11.3341","0.0007","15.058","0.001","105.607","0.007","91.747","0.006","101.222","0.006","1570.19","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","- C62 H48 N16 O2 Pb2 S4 -","1","0.5","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0577","0.0509","","","0.1336","0.1367","","","","","","1.003","","","","has coordinates,has disorder","229140","2020-10-21","18:00:00",""
"7231179","9.0368","0.0007","11.3777","0.001","7.6503","0.0006","90","","112.279","0.004","90","","727.87","0.1","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H10 N6 Pb S3 -","- C10 H10 N6 Pb S3 -","- C20 H20 N12 Pb2 S6 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","x-ray","0.7107","MoKα","","0.0229","0.0217","","","0.0461","0.0467","","","","","","1.05","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231180","10.3837","0.0002","11.5738","0.0003","14.337","0.0003","95.216","0.001","90.12","0.001","113.736","0.001","1569.31","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H24 N8 O3 Pb S2 -","- C29 H24 N8 O3 Pb S2 -","- C58 H48 N16 O6 Pb2 S4 -","2","1","","Seth, Saikat Kumar; Bauzá, Antonio; Mahmoudi, Ghodrat; Stilinović, Vladimir; López-Torres, Elena; Zaragoza, Guillermo; Keramidas, Anastasios D.; Frontera, Antonio","On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds","CrystEngComm","2018","20","34","5033","","10.1039/C8CE00919H","","","0.71073","MoKα","","0.0569","0.0388","","","0.0823","0.09","","","","","","1.025","","","","has coordinates","229140","2020-10-21","18:00:00",""
"7231181","9.3083","0.0002","10.4819","0.0002","22.1487","0.0004","90","","96.098","0.002","90","","2148.79","0.07","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Co1.5 N3 O7 -","- C19 H12 Co1.5 N3 O7 -","- C76 H48 Co6 N12 O28 -","4","1","","Zhou, Wei; Wu, Ya-Pan; Wang, Xiao; Tian, Jun-Wu; Huang, Dan-Dan; Zhao, Jun; Lan, Ya-Qian; Li, Dong-Sheng","Improved conductivity of a new Co(ii)-MOF by assembled acetylene black for efficient hydrogen evolution reaction","CrystEngComm","2018","20","33","4804","","10.1039/C8CE00921J","","x-ray","1.54184","CuKα","","0.067","0.0612","","","0.162","0.1668","","","","","","1.057","","","","has coordinates","228949","2020-10-21","18:00:00",""
"7231182","26.906","0.004","7.5367","0.0009","17.21","0.002","90","","92.375","0.004","90","","3486.9","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 Cd N6 O12 -","- C38 H24 Cd N6 O12 -","- C152 H96 Cd4 N24 O48 -","4","0.5","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0742","0.044","","","0.0873","0.0975","","","","","","0.99","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231183","7.8706","0.001","10.2356","0.0013","19.467","0.003","90.351","0.002","94.25","0.002","111.416","0.002","1455","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H15 Cd N6 O10 -","- C31 H15 Cd N6 O10 -","- C62 H30 Cd2 N12 O20 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.029","0.0263","","","0.0697","0.0709","","","","","","1.061","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231184","10.1261","0.0007","13.8772","0.0009","14.7762","0.001","88.202","0.001","72.861","0.001","71.667","0.001","1879.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Cd N7 O11 -","- C37 H24 Cd N7 O11 -","- C74 H48 Cd2 N14 O22 -","2","1","","Fu, Chen; Wang, Hai-Yu; Zhang, Guo-Shuai; Li, Li; Sun, Ya-Nan; Fu, Jia-Wei; Zhang, Hong","The influence of the secondary building linker geometry on the photochromism of naphthalenediimide-based metal‒organic frameworks","CrystEngComm","2018","20","33","4849","","10.1039/C8CE00892B","","","0.71073","MoKα","","0.0412","0.0362","","","0.1005","0.1031","","","","","","1.031","","","","has coordinates","228944","2020-10-21","18:00:00",""
"7231185","14.1118","0.0005","14.5427","0.0005","15.5885","0.0005","90","","90","","90","","3199.13","0.19","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-31","","- C32 H40 O5 -","- C32 H40 O5 -","- C128 H160 O20 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A‒F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0976","0.0959","","","0.2701","0.2729","","","","","","1.068","","","","has coordinates","209124","2020-10-21","18:00:00",""
"7231186","7.3802","0.0002","14.7759","0.0005","23.5281","0.0007","90","","90","","90","","2565.72","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-2","","- C30 H36 O4 -","- C30 H36 O4 -","- C120 H144 O16 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A‒F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0438","0.0416","","","0.129","0.1348","","","","","","0.66","","","","has coordinates","209124","2020-10-21","18:00:00",""
"7231187","15.517","0.0011","11.9307","0.0007","18.3226","0.0015","90","","111.801","0.009","90","","3149.4","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 N3 P2 -","- C38 H29 N3 P2 -","- C152 H116 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0785","0.0555","","","0.1341","0.1586","","","","","","1.059","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231188","14.1841","0.0003","11.2966","0.0002","25.2699","0.0006","90","","97.008","0.002","90","","4018.8","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cl3 Mo N3 O4 P2 -","- C43 H30 Cl3 Mo N3 O4 P2 -","- C172 H120 Cl12 Mo4 N12 O16 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0543","0.0472","","","0.1132","0.1198","","","","","","1.033","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231189","12.5915","0.0003","20.0214","0.0006","15.3286","0.0004","90","","92.147","0.002","90","","3861.62","0.18","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H29 Au Cl N3 O4 P2 W -","- C42 H29 Au Cl N3 O4 P2 W -","- C168 H116 Au4 Cl4 N12 O16 P8 W4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0398","0.0323","","","0.0739","0.0781","","","","","","1.034","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231190","14.1865","0.0003","11.2881","0.0003","25.1974","0.0009","90","","97.169","0.002","90","","4003.5","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Cl3 N3 O4 P2 W -","- C43 H30 Cl3 N3 O4 P2 W -","- C172 H120 Cl12 N12 O16 P8 W4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0453","0.0379","","","0.0889","0.095","","","","","","1.04","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231191","13.351","0.0004","11.0729","0.0002","25.9296","0.0006","90","","95.69","0.002","90","","3814.4","0.16","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Cl5 N3 P2 Pd -","- C39 H30 Cl5 N3 P2 Pd -","- C156 H120 Cl20 N12 P8 Pd4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0545","0.0406","","","0.0765","0.0835","","","","","","1.053","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231192","12.615","0.0006","13.342","0.0009","14.0151","0.0008","71.437","0.005","69.756","0.005","65.94","0.005","1977.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H29 N3 O4 P2 W -","- C42 H29 N3 O4 P2 W -","- C84 H58 N6 O8 P4 W2 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.041","0.0336","","","0.0825","0.0861","","","","","","1.054","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231193","10.2544","0.0003","12.3816","0.0004","28.9853","0.0011","90","","90","","90","","3680.1","0.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Cl5 N3 P2 Pt -","- C39 H30 Cl5 N3 P2 Pt -","- C156 H120 Cl20 N12 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0613","0.0562","","","0.1305","0.134","","","","","","1.109","","","","has coordinates,has disorder","209125","2020-10-21","18:00:00",""
"7231194","13.7636","0.0003","14.7629","0.0004","22.1839","0.0005","76.1417","0.0019","85.9054","0.0018","85.3961","0.0019","4355.89","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C87 H69 Cl5 N6 P4 Ru2 -","- C87 H69 Cl5 N6 P4 Ru2 -","- C174 H138 Cl10 N12 P8 Ru4 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0785","0.0582","","","0.1362","0.1493","","","","","","1.054","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231195","12.7908","0.0007","15.2107","0.001","15.2959","0.001","114.525","0.006","103.851","0.005","102.567","0.005","2453.7","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H43 Cl2 N3 P2 Ru -","- C48 H43 Cl2 N3 P2 Ru -","- C96 H86 Cl4 N6 P4 Ru2 -","2","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.1201","0.084","","","0.2048","0.2392","","","","","","1.037","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7231196","12.7791","0.0005","14.3916","0.0006","20.6657","0.0008","90","","95.247","0.004","90","","3784.7","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H30 Au2 Cl5 N3 P2 -","- C39 H30 Au2 Cl5 N3 P2 -","- C156 H120 Au8 Cl20 N12 P8 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0337","0.0269","","","0.061","0.065","","","","","","1.025","","","","has coordinates","209125","2020-10-21","18:00:00",""
"7231197","7.5242","0.0003","7.9258","0.0003","19.5829","0.0008","90","","90","","90","","1167.83","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0332","0.0291","","","0.0682","0.0699","","","","","","1.054","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231198","7.5194","0.0003","7.9248","0.0003","19.5768","0.0008","90","","90","","90","","1166.58","0.08","293","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0185","0.0169","","","0.0352","0.0356","","","","","","1.032","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231199","7.45","0.002","27.279","0.005","27.574","0.005","82.32","0.02","88.01","0.02","89.19","0.02","5550","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H29 N O11 P3 -","- C8 H29 N O11 P3 -","- C96 H348 N12 O132 P36 -","12","6","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0697","0.0562","","","0.1748","0.2005","","","","","","1.031","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231200","20.084","0.006","14.699","0.004","16.117","0.005","90","","108.06","0.03","90","","4524","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N O7.5 P2.5 -","- C16 H40 N O7.5 P2.5 -","- C128 H320 N8 O60 P20 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0645","0.0421","","","0.0919","0.1018","","","","","","1.039","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231201","14.764","0.003","17.203","0.004","19.266","0.005","73.32","0.03","88.05","0.02","89.94","0.02","4684","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H41.05 N O8.02 P2.5 -","- C16 H41 N O8.029 P2.5 -","- C128 H328 N8 O64.232 P20 -","8","4","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0889","0.0547","","","0.1148","0.1299","","","","","","1.017","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231202","7.582","0.003","8.718","0.003","12.892","0.004","75.28","0.03","80.42","0.03","70.98","0.03","775.9","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H28 Cl N O6 P -","- C8 H28 Cl N O6 P -","- C16 H56 Cl2 N2 O12 P2 -","2","1","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","1.5418","CuKα","","0.0597","0.0524","","","0.1428","0.1498","","","","","","1.069","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231203","8.898","0.002","8.964","0.002","9.226","0.003","78.96","0.02","66.16","0.03","79.15","0.02","655.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","- C16 H46 N2 O12 P4 -","1","0.5","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0557","0.0492","","","0.1325","0.1398","","","","","","1.065","","","","has coordinates","229132","2020-10-21","18:00:00",""
"7231204","10.781","0.002","15.964","0.003","31.201","0.006","90","","99.6","0.02","90","","5294.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H42 N O10.5 P3.5 -","- C16 H42 N O10.5 P3.5 -","- C128 H336 N8 O84 P28 -","8","2","","Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl","Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates","CrystEngComm","2018","20","35","5209","","10.1039/C8CE00880A","","","0.71073","MoKα","","0.0992","0.0597","","","0.131","0.1504","","","","","","1.006","","","","has coordinates,has disorder","229132","2020-10-21","18:00:00",""
"7231205","7.43953","0.00014","20.7625","0.0004","8.8754","0.00015","90","","102.766","0.0018","90","","1337.03","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N O3 -","- C17 H14 N O3 -","- C68 H56 N4 O12 -","4","1","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0477","0.0423","","","0.1195","0.1252","","","","","","1.072","","","","has coordinates","229084","2020-10-21","18:00:00",""
"7231206","25.1697","0.0004","7.1655","0.0001","16.6823","0.0002","90","","90","","90","","3008.71","0.07","296","1","296","1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C27 H19 Co N O5.5 -","- C27 H19 Co N O5.5 -","- C108 H76 Co4 N4 O22 -","4","0.25","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0591","0.0535","","","0.1631","0.1712","","","","","","1.07","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231207","16.59874","0.00019","7.14697","0.00012","50.2201","0.0008","90","","90","","90","","5957.65","0.15","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H38 Mg2 N2 O10 -","- C54 H38 Mg2 N2 O10 -","- C216 H152 Mg8 N8 O40 -","4","0.5","","Kunicki, Hannah; Chamberlain, Thomas W.; Clarkson, Guy J.; Kashtiban, Reza J.; Hooper, Joseph E.; Dawson, Daniel M.; Ashbrook, Sharon E.; Walton, Richard I.","An expanded MIL-53-type coordination polymer with a reactive pendant ligand","CrystEngComm","2018","20","31","4355","","10.1039/C8CE00891D","","x-ray","1.54184","CuKα","","0.0819","0.0772","","","0.2424","0.2474","","","","","","1.064","","","","has coordinates,has disorder","229084","2020-10-21","18:00:00",""
"7231208","8.4181","0.001","9.1433","0.0007","10.4688","0.0009","74.013","0.007","72.64","0.009","69.444","0.009","706.85","0.13","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O2 S -","- C17 H14 N2 O2 S -","- C34 H28 N4 O4 S2 -","2","1","","Chen, En; Shao, Jiaan; Tang, Pai; Shu, Ke; Chen, Wenteng; Yu, Yongping","Catalyst-free three-component sequencing for efficient assembly of [1,3] oxazine N-fused imidazole-2-thiones","Green Chemistry","2018","20","16","3696","","10.1039/C8GC01766B","","","0.71073","MoKα","","0.0622","0.048","","","0.1078","0.1218","","","","","","1.063","","","","has coordinates","230101","2020-10-21","18:00:00",""
"7231209","11.5429","0.0007","14.3317","0.0008","16.9947","0.001","90","","109.552","0.002","90","","2649.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'2,6-Di-tretbutyl-4-[1-oxi-(4-(biphenyl-4-yl)-5,5-dimethyl-1H-imidazol -2(5H)-yliden]cyclohexa-2,5-dienone'","","- C31 H35 N2 O2 -","- C31 H35 N2 O2 -","- C124 H140 N8 O8 -","4","1","","Ten, Yury A.; Salnikov, Oleg G.; Amitina, Svetlana A.; Stass, Dmitri V.; Rybalova, Tatyana V.; Kazantsev, Maxim S.; Bogomyakov, Artem S.; Mostovich, Evgeny A.; Mazhukin, Dmitrii G.","The Suzuki‒Miyaura reaction as a tool for modification of phenoxyl-nitroxyl radicals of the 4H-imidazole N-oxide series","RSC Advances","2018","8","46","26099","","10.1039/C8RA05103H","","","0.71073","MoKα","","0.1501","0.0954","","","0.2911","0.3367","","","","","","1.308","","","","has coordinates","209159","2020-10-21","18:00:00",""
"7231210","10.8799","0.0006","13.3677","0.0007","13.9345","0.0008","62.953","0.003","68.018","0.003","82.371","0.003","1672.04","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-bromophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C32 H38 Br2 N4 O4 -","- C32 H38 Br2 N4 O4 -","- C64 H76 Br4 N8 O8 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.124","0.0553","","","0.1291","0.1531","","","","","","1.034","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231211","26.04","0.003","9.0972","0.0011","13.8867","0.0019","90","","91.957","0.01","90","","3287.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","pyrazole-Br","'ethyl 1 tert-butyl-3-(4-bromophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Br N2 O2 -","- C16 H19 Br N2 O2 -","- C128 H152 Br8 N16 O16 -","8","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0335","0.0319","","","0.0843","0.0855","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231212","9.077","0.002","6.9098","0.0015","13.708","0.002","90","","107.735","0.007","90","","818.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,5-pirazole-Cl","'ethyl 1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C32 H38 Cl2 N4 O4 -","2","0.5","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0681","0.0443","","","0.1127","0.1257","","","","","","1.035","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231213","8.0704","0.0009","10.6122","0.0013","17.698","0.004","90","","93.13","0.011","90","","1513.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-Ph-pyrazole","'ethyl-5-(phenyl)-1-(t-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","1.54178","CuKα","","0.077","0.0725","","","0.1928","0.1967","","","","","","1.052","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231214","6.9381","0.0007","18.463","0.003","12.6","0.002","90","","103.702","0.01","90","","1568.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyrazole 1,3 F","'ethyl 1-(t-butil)-5-(4-fluorophenyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C64 H76 F4 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","1.54178","CuKα","","0.0516","0.0438","","","0.1194","0.1264","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231215","8.5662","0.0003","8.9965","0.0003","10.0893","0.0004","92.86","0.002","100.776","0.002","91.266","0.002","762.49","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","pyrazole","'ethyl 1 tert-butyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate'","","- C16 H19 F N2 O2 -","- C16 H19 F N2 O2 -","- C32 H38 F2 N4 O4 -","2","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0474","0.0394","","","0.126","0.143","","","","","","0.636","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231216","10.9637","0.0005","13.2546","0.0006","13.9344","0.0006","62.661","0.002","67.366","0.002","81.873","0.003","1658.68","0.13","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","pyrazole","'ethyl 5-(4-clorophenyl)-1-(tert-butyl)-1H-pyrazole-3-carboxylate'","","- C16 H19 Cl N2 O2 -","- C16 H19 Cl N2 O2 -","- C64 H76 Cl4 N8 O8 -","4","2","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","x-ray","0.71073","MoKα","","0.1641","0.0707","","","0.1897","0.2439","","","","","","1.03","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231217","8.9","0.005","8.307","0.004","19.352","0.011","90","","91.44","0.02","90","","1430.3","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pirazol-1,5-Ph","'ethyl 3-(phenyl)-1-(t-butyl)1H-pyrazole-5-carboxylate'","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","","Zimmer, Geórgia C.; Pagliari, Anderson B.; Bender, Caroline R.; Salbego, Paulo R. S.; Orlando, Tainára; Hörner, Manfredo; Zanatta, Nilo; Bonacorso, Helio G.; Martins, Marcos A. P.","Insights on conformation in the solid state: a case study ‒ s-cis and/or s-trans crystallization of 5(3)-aryl-3(5)-carboxyethyl-1-tert-butylpyrazoles","CrystEngComm","2018","20","35","5154","","10.1039/C8CE00984H","","","0.71073","MoKα","","0.0557","0.0417","","","0.0993","0.1061","","","","","","1.04","","","","has coordinates","229130","2020-10-21","18:00:00",""
"7231218","7.098","0.0011","9.8","0.0016","11.2043","0.0017","66.923","0.002","73.598","0.002","84.72","0.003","687.68","0.19","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","[(phenyl-1,3,5-tricarboxylate)tetraaquasodium(I)zinc(II)] sesquihydrate","","- C9 H14 Na O11.5 Zn -","- C9 H14 Na O11.5 Zn -","- C18 H28 Na2 O23 Zn2 -","2","1","","Ye, Ranfeng; Ni, Min; Xu, Yuanyuan; Chen, Hao; Li, Shengqing","Synthesis of Zn-based metal‒organic frameworks in ionic liquid microemulsions at room temperature","RSC Advances","2018","8","46","26237","","10.1039/C8RA04573A","","","0.71073","MoKα","","0.1089","0.0512","","","0.0923","0.113","","","","","","0.967","","","","has coordinates,has disorder","209214","2020-10-21","18:00:00",""
"7231219","8.7905","0.0017","12.014","0.002","16.205","0.003","84.36","0.003","85.808","0.003","88.853","0.003","1698.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 B F10 O P -","- C38 H30 B F10 O P -","- C76 H60 B2 F20 O2 P2 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0891","0.0576","","","0.1764","0.2174","","","","","","1.007","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231220","18.51","0.02","9.944","0.011","17.597","0.019","90","","95.165","0.014","90","","3226","6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 B F10 N O P -","- C35 H27 B F10 N O P -","- C140 H108 B4 F40 N4 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0721","0.0447","","","0.1025","0.1117","","","","","","0.91","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231221","12.078","0.005","8.875","0.004","29.647","0.012","90","","90.449","0.005","90","","3178","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 B F10 O P -","- C35 H30 B F10 O P -","- C140 H120 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0687","0.0444","","","0.106","0.1151","","","","","","0.936","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231222","13.951","0.002","15.282","0.002","16.319","0.002","82.719","0.002","79.714","0.002","89.784","0.002","3395","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H56 B2 F20 O2 P2 -","- C76 H56 B2 F20 O2 P2 -","- C152 H112 B4 F40 O4 P4 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.1414","0.0738","","","0.1927","0.2396","","","","","","1.162","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231223","9.7242","0.0003","22.4308","0.0007","13.8977","0.0004","90","","108.5","0.001","90","","2874.74","0.15","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B F10 O P -","- C30 H24 B F10 O P -","- C120 H96 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","1.34138","GaKα","","0.053","0.0458","","","0.1196","0.1249","","","","","","1.064","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231224","10.5258","0.0005","20.8548","0.001","13.077","0.0006","90","","109.292","0.002","90","","2709.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B F10 O P -","- C30 H22 B F10 O P -","- C120 H88 B4 F40 O4 P4 -","4","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","1.34138","GaKα","","0.0927","0.0747","","","0.1942","0.212","","","","","","1.04","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231225","11.8184","0.0016","11.8406","0.0017","15.532","0.002","70.423","0.002","79.484","0.002","67.364","0.002","1886.5","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 B F10 O3 P -","- C41 H37 B F10 O3 P -","- C82 H74 B2 F20 O6 P2 -","2","1","","Wang, Yiheng; Li, Zhen Hua; Wang, Huadong","Synthesis of an oxygen-linked germinal frustrated Lewis pair and its application in small molecule activation","RSC Advances","2018","8","46","26271","","10.1039/C8RA05108A","","","0.71073","MoKα","","0.0745","0.0568","","","0.1867","0.2334","","","","","","1.119","","","","has coordinates","209215","2020-10-21","18:00:00",""
"7231226","23.9553","0.0012","13.6376","0.0007","18.6167","0.001","90","","111.831","0.002","90","","5645.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 La2 N4 O15 -","- C66 H40 La2 N4 O15 -","- C264 H160 La8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0721","0.0385","","","0.0671","0.0794","","","","","","1.059","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231227","13.0373","0.0012","22.5614","0.0019","19.432","0.0017","90","","90.949","0.001","90","","5714.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Eu2 N4 O15 -","- C66 H40 Eu2 N4 O15 -","- C264 H160 Eu8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0833","0.0409","","","0.0543","0.0613","","","","","","0.869","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231228","13.0186","0.0011","22.5402","0.0018","19.4272","0.0016","90","","90.845","0.003","90","","5700.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 N4 O15 Tb2 -","- C66 H40 N4 O15 Tb2 -","- C264 H160 N16 O60 Tb8 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0703","0.0379","","","0.0722","0.0875","","","","","","1.04","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231229","13.0264","0.0006","22.5481","0.0009","19.4308","0.0008","90","","90.919","0.002","90","","5706.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H40 Gd2 N4 O15 -","- C66 H40 Gd2 N4 O15 -","- C264 H160 Gd8 N16 O60 -","4","1","","Li, Jing-Ming; Li, Rui; Li, Xia","Construction of metal‒organic frameworks (MOFs) and highly luminescent Eu(iii)-MOF for the detection of inorganic ions and antibiotics in aqueous medium","CrystEngComm","2018","20","34","4962","","10.1039/C8CE00915E","","","0.71073","MoKα","","0.0666","0.0379","","","0.0795","0.0945","","","","","","1.02","","","","has coordinates","229141","2020-10-21","18:00:00",""
"7231230","17.7431","0.0006","15.6583","0.0006","26.3446","0.0008","90","","95.567","0.003","90","","7284.7","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Ag2 F12 N8 O4 P2 -","- C66 H64 Ag2 F12 N8 O4 P2 -","- C264 H256 Ag8 F48 N32 O16 P8 -","4","1","","Chiu, Chien-Cheng; Chiu, Hui-Tzu; Lee, Dong-Sheng; Lu, Ta-Jung","An efficient class of bis-NHC salts: applications in Pd-catalyzed reactions under mild reaction conditions","RSC Advances","2018","8","46","26407","","10.1039/C8RA04094J","","x-ray","0.71073","MoKα","","0.11","0.0733","","","0.178","0.2013","","","","","","1.014","","","","has coordinates,has disorder","209230","2020-10-21","18:00:00",""
"7231231","12.6608","0.001","17.192","0.0014","18.8963","0.0015","87.943","0.003","84.738","0.003","76.841","0.003","3987.7","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H68 Cl7 F6 N8 O4 P Pd2 -","- C68 H68 Cl7 F6 N8 O4 P Pd2 -","- C136 H136 Cl14 F12 N16 O8 P2 Pd4 -","2","1","","Chiu, Chien-Cheng; Chiu, Hui-Tzu; Lee, Dong-Sheng; Lu, Ta-Jung","An efficient class of bis-NHC salts: applications in Pd-catalyzed reactions under mild reaction conditions","RSC Advances","2018","8","46","26407","","10.1039/C8RA04094J","","x-ray","0.71073","MoKα","","0.1375","0.1096","","","0.283","0.3036","","","","","","1.067","","","","has coordinates,has disorder","209230","2020-10-21","18:00:00",""
"7231232","7.8831","0.0004","14.6869","0.0008","14.5239","0.0008","102.504","0.002","100.89","0.002","92.406","0.002","1606.07","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Co N4 O4 -","- C36 H26 Cl4 Co N4 O4 -","- C72 H52 Cl8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0559","0.0397","","","0.0945","0.1036","","","","","","1.034","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231233","7.3112","0.0007","7.7033","0.0007","13.0401","0.0012","79.183","0.003","86.649","0.003","88.692","0.003","720.09","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 O2 -","- C18 H13 Cl N2 O2 -","- C36 H26 Cl2 N4 O4 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0478","0.0338","","","0.0795","0.085","","","","","","1.069","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231234","7.8598","0.0004","14.7496","0.0009","14.7874","0.0008","102.704","0.002","101.054","0.002","93.104","0.002","1632.97","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 Hg N4 O4 -","- C36 H26 Cl4 Hg N4 O4 -","- C72 H52 Cl8 Hg2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0553","0.0485","","","0.101","0.1047","","","","","","1.047","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231235","7.9049","0.001","14.7046","0.0018","14.5448","0.0019","102.479","0.006","100.932","0.006","92.276","0.006","1615","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cl4 N4 O4 Zn -","- C36 H26 Cl4 N4 O4 Zn -","- C72 H52 Cl8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.09","0.0717","","","0.1704","0.1786","","","","","","1.101","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231236","7.933","0.002","14.728","0.004","14.966","0.005","102.65","0.01","100.863","0.009","93.145","0.009","1667.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Co N4 O4 -","- C36 H26 Br4 Co N4 O4 -","- C72 H52 Br8 Co2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.082","0.0458","","","0.1176","0.1303","","","","","","1.029","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231237","7.766","0.0006","55.312","0.004","7.4689","0.0005","90","","91.983","0.002","90","","3206.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 Cu N4 O4 -","- C36 H26 Cl4 Cu N4 O4 -","- C144 H104 Cl16 Cu4 N16 O16 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0919","0.0696","","","0.121","0.1264","","","","","","1.263","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231238","13.5398","0.0016","7.7569","0.0009","15.201","0.0017","90","","112.641","0.003","90","","1473.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Br N2 O2 -","- C18 H13 Br N2 O2 -","- C72 H52 Br4 N8 O8 -","4","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0233","0.0208","","","0.0542","0.0554","","","","","","1.043","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231239","7.8678","0.0007","14.7568","0.0013","14.8082","0.0013","102.75","0.004","100.866","0.004","93.071","0.004","1638.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Cd Cl4 N4 O4 -","- C36 H26 Cd Cl4 N4 O4 -","- C72 H52 Cd2 Cl8 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.062","0.0363","","","0.0692","0.0767","","","","","","1.025","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231240","7.67","0.0004","7.6942","0.0005","28.269","0.0019","87.564","0.003","89.895","0.002","89.559","0.002","1666.72","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 Cu N4 O4 -","- C36 H26 Br4 Cu N4 O4 -","- C72 H52 Br8 Cu2 N8 O8 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0717","0.055","","","0.131","0.1372","","","","","","1.06","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231241","7.9152","0.0003","14.7377","0.0006","14.9796","0.0006","102.541","0.001","100.913","0.001","93.439","0.001","1665.52","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Br4 N4 O4 Zn -","- C36 H26 Br4 N4 O4 Zn -","- C72 H52 Br8 N8 O8 Zn2 -","2","1","","Beebeejaun-Boodoo, B. M. P.; Erasmus, R.; Rademeyer, M.","Tetrahalometallate salts of N-(4-picolinium)-1,8-naphthalimide: structures and solid-state fluorescence","CrystEngComm","2018","20","33","4875","","10.1039/C8CE00292D","","","0.71073","MoKα","","0.0364","0.0299","","","0.0776","0.0814","","","","","","1.062","","","","has coordinates","228945","2020-10-21","18:00:00",""
"7231242","5.8293","0.0003","9.3602","0.0005","10.5304","0.0006","77.907","0.001","80.183","0.001","78.031","0.001","544.74","0.05","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C24 H28 N4 O2 -","2","1","","Pelliccia, Sveva; Abbate, Vincenzo; Meneghetti, Fiorella; Frascione, Nunzianda; Hider, Robert Charles; Novellino, Ettore; Tron, Gian Cesare; Giustiniano, Mariateresa","On-water pyrrolidine-mediated domino synthesis of 2-iminoisatins","Green Chemistry","2018","20","17","3912","","10.1039/C8GC01090K","","x-ray","0.71073","MoKα","","0.0549","0.0462","","","0.1311","0.1414","","","","","","1.061","","","","has coordinates","230094","2020-10-21","18:00:00",""
"7231243","22.8345","0.0007","15.0703","0.0005","27.8444","0.0009","90","","92.926","0.001","90","","9569.4","0.5","150","2","150.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C90 H78 Cl N9 O5 P6 Ru2 -","- C90 H78 Cl N9 O5 P6 Ru2 -","- C360 H312 Cl4 N36 O20 P24 Ru8 -","4","1","","Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei","Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes","Green Chemistry","2018","20","18","4201","","10.1039/C8GC02186D","","","1.54178","CuKα","","0.0679","0.0597","","","0.1731","0.1793","","","","","","1.081","","","","has coordinates","230116","2020-10-21","18:00:00",""
"7231244","12.2479","0.0014","20.634","0.002","25.309","0.003","106.192","0.004","93.516","0.004","106.236","0.004","5829.8","1.1","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 N3 O P3 Ru -","- C48 H40 N3 O P3 Ru -","- C192 H160 N12 O4 P12 Ru4 -","4","2","","Guan, Chao; Pan, Yupeng; Ang, Eleanor Pei Ling; Hu, Jinsong; Yao, Changguang; Huang, Mei-Hui; Li, Huaifeng; Lai, Zhiping; Huang, Kuo-Wei","Conversion of CO2 from air into formate using amines and phosphorus-nitrogen PN3P-Ru(ii) pincer complexes","Green Chemistry","2018","20","18","4201","","10.1039/C8GC02186D","","","0.71073","MoKα","","0.099","0.077","","","0.1976","0.2072","","","","","","1.06","","","","has coordinates","230116","2020-10-21","18:00:00",""
"7231245","12.509","0.003","13.689","0.003","14.613","0.003","94.72","0.03","115.28","0.03","114.86","0.03","1945.6","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C36 H37.5 Cl4 Cu2 N6 O6.75 -","- C72 H75 Cl8 Cu4 N12 O13.5 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.63","synchrotron","","0.1008","0.0644","","","0.17","0.191","","","","","","1.178","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231246","9.263","0.003","11.838","0.004","17.404","0.006","85.27","0.012","89.651","0.012","86.12","0.012","1897.6","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cl4 Cu2 N6 O2 -","- C38 H32 Cl4 Cu2 N6 O2 -","- C76 H64 Cl8 Cu4 N12 O4 -","2","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0955","0.0726","","","0.1798","0.1939","","","","","","1.214","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231247","9.081","0.005","10.926","0.006","12.055","0.007","113.957","0.018","111.576","0.017","91.514","0.016","994.5","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","- C36 H39 Cl4 Cu2 N6 O7.5 -","1","0.5","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.0755","0.058","","","0.1398","0.1506","","","","","","1.048","","","","has coordinates,has disorder","229122","2020-10-21","18:00:00",""
"7231248","8.9606","0.0005","20.9052","0.0013","20.0946","0.001","90","","91.24","0.002","90","","3763.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C19.5 H15.5 Cl2 Cu N3.5 O0.5 -","- C156 H124 Cl16 Cu8 N28 O4 -","8","1","","Kwon, Hyunchul; Lee, Eunsung","Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding","CrystEngComm","2018","20","35","5233","","10.1039/C8CE00918J","","","0.71073","MoKα","","0.056","0.0372","","","0.0659","0.0722","","","","","","1.07","","","","has coordinates","229122","2020-10-21","18:00:00",""
"7231249","10.2461","0.0001","14.3724","0.0002","29.2362","0.0004","81.57","0.002","88.939","0.001","82.321","0.003","4220.64","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","- C160 H108 N18 O44 Pr2 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0529","0.0307","","","0.0558","0.0621","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231250","10.2483","0.0007","14.4377","0.0009","29.0278","0.0019","81.977","0.002","89.188","0.001","82.246","0.002","4214","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","- C160 H108 Ho2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0521","0.0322","","","0.0575","0.0627","","","","","","1.039","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231251","10.234","0.0009","14.4042","0.0018","29.053","0.003","81.864","0.002","89.103","0.001","82.241","0.001","4200.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","- C160 H108 N18 O44 S14 Tb2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0489","0.0299","","","0.0603","0.0665","","","","","","1.025","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231252","10.668","0.002","20.152","0.004","23.297","0.005","109.308","0.003","101.972","0.003","93.617","0.003","4576.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H65 N13 O28 S5 U5 -","- C85 H65 N13 O28 S5 U5 -","- C170 H130 N26 O56 S10 U10 -","2","1","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.1064","0.0824","","","0.1996","0.2082","","","","","","1.213","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231253","10.2255","0.0003","14.405","0.0003","29.0078","0.0007","81.949","0.001","89.133","0.003","82.242","0.002","4191.93","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","- C160 H108 Gd2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0557","0.0313","","","0.0595","0.0664","","","","","","1.02","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231254","10.2491","0.0003","14.3958","0.0005","29.1628","0.001","81.715","0.001","89.029","0.002","82.284","0.001","4219.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","- C160 H108 N18 O44 S14 Sm2 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0632","0.0341","","","0.063","0.0717","","","","","","0.998","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231255","10.2216","0.0008","14.4037","0.0011","29.008","0.002","81.961","0.002","89.146","0.001","82.246","0.001","4190.1","0.5","293","2","293","3","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","- C160 H108 Dy2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0522","0.0317","","","0.0651","0.0714","","","","","","1.017","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231256","10.407","0.008","14.594","0.011","29.68","0.02","81.683","0.012","88.909","0.014","82.39","0.011","4421","6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","- C160 H108 N18 Nd2 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0437","0.0314","","","0.0718","0.0771","","","","","","1.065","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231257","10.2461","0.0003","14.4076","0.0005","29.1376","0.001","81.788","0.001","89.038","0.001","82.266","0.001","4218.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","- C160 H108 Eu2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0546","0.0319","","","0.0584","0.0639","","","","","","1.004","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231258","10.2447","0.0003","14.4393","0.0005","28.987","0.0009","82.023","0.002","89.223","0.001","82.245","0.002","4207.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","- C160 H108 Er2 N18 O44 S14 U6 -","1","0.5","","Ridenour, J. August; Cahill, Christopher L.","Nine isomorphous lanthanide‒uranyl f‒f bimetallic materials with 2-thiophenecarboxylic acid and terpyridine: structure and concomitant luminescent properties","CrystEngComm","2018","20","34","4997","","10.1039/C8CE00811F","","x-ray","0.71073","MoKα","","0.0401","0.0252","","","0.0499","0.0534","","","","","","1.003","","","","has coordinates,has disorder","229139","2020-10-21","18:00:00",""
"7231259","5.4363","0.0007","10.3418","0.0013","11.8349","0.0017","90","","99.739","0.005","90","","655.78","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0592","0.0422","","","0.0814","0.0875","","","","","","1.034","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231260","5.4205","0.0007","10.3464","0.0013","11.5006","0.0015","90","","99.5","0.004","90","","636.14","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6.47 H7.93 Li0.5 N0.5 O2.47 -","- C6.4665 H7.933 Li0.5 N0.5 O2.4665 -","- C25.866 H31.732 Li2 N2 O9.866 -","4","2","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0503","0.04","","","0.0767","0.0787","","","","","","1.073","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231261","10.1119","0.0018","10.5584","0.0019","11.746","0.002","90","","90","","90","","1254.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.108","0.0664","","","0.1352","0.1516","","","","","","1.063","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231262","10.0666","0.0009","10.5869","0.0008","11.7836","0.0008","90","","90","","90","","1255.83","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8.05 H9.44 Li0.67 N0.67 O2.72 -","- C8.06 H9.45333 Li0.666667 N0.666667 O2.72667 -","- C48.36 H56.72 Li4 N4 O16.36 -","6","1.5","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0497","0.0483","","","0.1282","0.1293","","","","","","1.154","","","","has coordinates,has disorder","228982","2020-10-21","18:00:00",""
"7231263","5.417","0.0003","10.359","0.0006","11.4916","0.0006","90","","99.552","0.001","90","","635.91","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 Li N O5 -","- C13 H16 Li N O5 -","- C26 H32 Li2 N2 O10 -","2","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.02","0.0192","","","0.0479","0.0484","","","","","","1.102","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231264","10.0679","0.0005","10.5702","0.0006","11.7537","0.0007","90","","90","","90","","1250.83","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H14 Li N O4 -","- C12 H14 Li N O4 -","- C48 H56 Li4 N4 O16 -","4","1","","Lestari, Monica; Lusi, Matteo; O'Leary, Aoife; O'Nolan, Daniel; Zaworotko, Michael J.","Hygroscopicity of lithium coordination polymers and their solid solutions","CrystEngComm","2018","20","39","5940","","10.1039/C8CE00905H","","","0.71073","MoKα","","0.0476","0.045","","","0.1234","0.1268","","","","","","1.114","","","","has coordinates","228982","2020-10-21","18:00:00",""
"7231265","9.596","0.007","10.606","0.008","13.967","0.01","76.205","0.009","84.844","0.009","84.742","0.009","1371.3","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni O10 -","- C28 H22 N2 Ni O10 -","- C56 H44 N4 Ni2 O20 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1031","0.0662","","","0.1756","0.1979","","","","","","1.096","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231266","13.498","0.003","15.706","0.004","15.066","0.004","90","","110.796","0.003","90","","2985.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 Ni O10 -","- C28 H22 N2 Ni O9 -","- C112 H88 N8 Ni4 O36 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1136","0.0857","","","0.2897","0.3175","","","","","","1.181","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231267","10.173","0.006","13.321","0.007","13.327","0.007","72.941","0.005","83.845","0.006","81.978","0.006","1705.5","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N3 Ni1.5 O11 -","- C34 H27 N3 Ni1.5 O11 -","- C68 H54 N6 Ni3 O22 -","2","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.0702","0.048","","","0.1261","0.1432","","","","","","1.055","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231268","15.224","0.006","11.113","0.004","19.333","0.007","90","","108.501","0.005","90","","3102","2","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 N2 Ni2 O11 -","- C28 H21 N2 Ni2 O11 -","- C112 H84 N8 Ni8 O44 -","4","1","","Lu, Sheng-Quan; Fang, Kang; Liu, Yong-Yao; Li, Ming-Xing; Liu, Sui-Jun; He, Xiang","Multivariant synthesis, crystal structures and properties of four nickel coordination polymers based on flexible ligands","CrystEngComm","2018","20","34","5045","","10.1039/C8CE00837J","","","0.71073","MoKα","","0.1225","0.066","","","0.1896","0.223","","","","","","1.025","","","","has coordinates","229144","2020-10-21","18:00:00",""
"7231269","7.372","0.0015","14.623","0.003","28.356","0.009","90","","90","","90","","3056.8","1.3","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co N4 O8 -","- C30 H32 Co N4 O8 -","- C120 H128 Co4 N16 O32 -","4","1","","Yu, Fan","A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene","CrystEngComm","2018","20","34","5074","","10.1039/C8CE00899J","","","0.71073","MoKα","","0.052","0.0483","","","0.1076","0.1096","","","","","","1.123","","","","has coordinates","229143","2020-10-21","18:00:00",""
"7231270","10.7786","0.0004","15.484","0.0005","18.0102","0.0006","109.584","0.0014","97.1583","0.0015","103.258","0.0018","2689.1","0.17","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H106 O14 Si10 -","- C120 H106 O14 Si10 -","- C120 H106 O14 Si10 -","1","0.5","","Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.","Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials","RSC Advances","2018","8","48","27400","","10.1039/C8RA05954C","","","1.54178","CuKα","","0.0389","0.0351","","","0.092","0.0951","","","","","","1.067","","","","has coordinates","209335","2020-10-21","18:00:00",""
"7231271","13.9131","0.0002","14.5885","0.0003","23.0779","0.0004","97.0446","0.001","102.95","0.0009","111.091","0.0008","4151.42","0.13","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H76 O14 Si10 -","- C90 H76 O14 Si10 -","- C180 H152 O28 Si20 -","2","1","","Moore, Levi M. J.; Zavala, Jacob J.; Lamb, Jason T.; Reams, Josiah T.; Yandek, Gregory R.; Guenthner, Andrew J.; Haddad, Timothy S.; Ghiassi, Kamran B.","Bis-phenylethynyl polyhedral oligomeric silsesquioxanes: new high-temperature, processable thermosetting materials","RSC Advances","2018","8","48","27400","","10.1039/C8RA05954C","","","1.54178","CuKα","","0.042","0.0371","","","0.0986","0.1022","","","","","","1.023","","","","has coordinates,has disorder","209335","2020-10-21","18:00:00",""
"7231272","14.577","0.0005","14.577","0.0005","14.577","0.0005","90","","90","","90","","3097.45","0.18","293","","293","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- C3 Ca Na4 O9 -","- C3 Ca0.9997 Na4.0003 O9 -","- C48 Ca15.9952 Na64.0048 O144 -","16","0.166667","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Arefiev, Anton V.; Seryotkin, Yurii V.; Litasov, Konstantin D.","Na4Ca(CO3)3: a novel carbonate analog of borate optical materials","CrystEngComm","2018","20","35","5228","","10.1039/C8CE00745D","","x-ray","0.71073","MoKα","","0.0671","0.0462","","","0.0927","0.0965","","","","2.87","2.87","2.54","","","","has coordinates","229126","2020-10-21","18:00:00",""
"7231273","24.1738","0.0004","9.45562","0.00019","17.836","0.0003","90","","90","","90","","4076.92","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,3,5-trifluoro-2,4,6-triiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F3 I3 N2 O -","- C18 H10 F3 I3 N2 O -","- C144 H80 F24 I24 N16 O8 -","8","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0351","0.0247","","","0.0501","0.0539","","","","","","1.039","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231274","5.3298","0.0005","5.9839","0.0004","15.276","0.002","90.196","0.008","93.824","0.009","100.428","0.007","478.02","0.08","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","- C19 H11 F4 I2 N O -","1","0.5","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0621","0.0448","","","0.0896","0.1016","","","","","","0.994","","","","has coordinates,has disorder","229119","2020-10-21","18:00:00",""
"7231275","4.1899","0.0003","29.106","0.002","24.6798","0.0018","90","","92.834","0.007","90","","3006.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F3 I3 N4 O2 -","- C30 H20 F3 I3 N4 O2 -","- C120 H80 F12 I12 N16 O8 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","x-ray","0.71073","MoKα","","0.0669","0.0465","","","0.0742","0.081","","","","","","1.118","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231276","7.2968","0.0005","15.2068","0.0012","19.3646","0.0015","110.783","0.007","91.701","0.006","100.999","0.006","1960.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","1,2,3,5-tetrafluoro-4,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:1 cocrystal","1,2,3,5-tetrafluoro-4,6-diiodobenzene; 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol","","- C18 H10 F4 I2 N2 O -","- C18 H10 F4 I2 N2 O -","- C72 H40 F16 I8 N8 O4 -","4","2","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0481","0.0323","","","0.0638","0.072","","","","","","1.019","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231277","15.3516","0.0005","5.75781","0.00016","16.8675","0.0006","90","","105.671","0.003","90","","1435.52","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2,4,5-tetrafluoro-3,6-diiodobenzene 2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol 1:2 cocrystal","1,2,4,5-tetrafluoro-3,6-diiodobenzene; bis(2-[(1E)-[(pyridin-3-yl)imino]methyl]phenol)","","- C15 H10 F2 I N2 O -","- C15 H10 F2 I N2 O -","- C60 H40 F8 I4 N8 O4 -","4","1","","Carletta, Andrea; Zbačnik, Marija; Vitković, Matea; Tumanov, Nikolay; Stilinović, Vladimir; Wouters, Johan; Cinčić, Dominik","Halogen-bonded cocrystals of N-salicylidene Schiff bases and iodoperfluorinated benzenes: hydroxyl oxygen as a halogen bond acceptor","CrystEngComm","2018","20","36","5332","","10.1039/C8CE01145A","","","0.71073","MoKα","","0.0433","0.0299","","","0.0622","0.068","","","","","","1.033","","","","has coordinates","229119","2020-10-21","18:00:00",""
"7231278","15.1118","0.0004","15.4367","0.0005","40.6572","0.0013","90","","95.516","0.003","90","","9440.4","0.5","173","0.14","173","0.14","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H41 O16.5 Si3 -","- C46 H40 O16.5 Si3 -","- C368 H320 O132 Si24 -","8","2","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","1.54184","CuKα","","0.1005","0.0761","","","0.2181","0.2439","","","","","","1.039","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231279","18.9725","0.0006","19.7061","0.0005","25.3721","0.0005","90","","98.476","0.002","90","","9382.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H100 Mn3 N10 O24 Si3 -","- C74 H100 Mn3 N10 O24 Si3 -","- C296 H400 Mn12 N40 O96 Si12 -","4","0.5","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","x-ray","0.71075","MoKα","K-L~3~","0.1112","0.0833","","","0.2471","0.2836","","","","","","1.078","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231280","32.1888","0.0009","13.9804","0.0003","30.8839","0.0008","90","","95.684","0.003","90","","13829.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59.25 H67.25 N4.75 O19.75 Si3 Zn3 -","- C46 H33 O16 Si3 Zn3 -","- C368 H264 O128 Si24 Zn24 -","8","1","","Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Horton, Peter N.; Coles, Simon J.; Lickiss, Paul D.; Davies, Robert P.","Trisiloxane-centred metal‒organic frameworks and hydrogen bonded assemblies","CrystEngComm","2018","20","32","4541","","10.1039/C8CE00662H","","","1.54184","CuKα","","0.0558","0.0471","","","0.1332","0.1406","","","","","","1.062","","","","has coordinates,has disorder","228925","2020-10-21","18:00:00",""
"7231281","5.8641","0.0004","9.4679","0.0006","11.6419","0.0007","90","","94.465","0.006","90","","644.4","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Shi, Ting; Hou, Xue-Mei; Li, Zhi-Yong; Cao, Fei; Zhang, Ya-Hui; Yu, Jia-Yin; Zhao, Dong-Lin; Shao, Chang-Lun; Wang, Chang-Yun","Harzianumnones A and B: two hydroxyanthraquinones from the coral-derived fungus Trichoderma harzianum","RSC Advances","2018","8","49","27596","","10.1039/C8RA04865G","","","1.54184","CuKα","","0.0516","0.0424","","","0.0997","0.1107","","","","","","1.041","","","","has coordinates","209377","2020-10-21","18:00:00",""
"7231282","10.557","0.002","17.598","0.004","12.593","0.003","90","","103.25","0.03","90","","2277.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Mn N2 O8 -","- C27 H18 Mn N2 O8 -","- C108 H72 Mn4 N8 O32 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.72","synchrotron","","0.0781","0.0644","","","0.1677","0.1748","","","","","","1.053","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231283","9.915","0.003","10.052","0.003","25.117","0.007","99.939","0.01","96.406","0.01","97.933","0.01","2418.5","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Mn2 N8 O15 -","- C54 H38 Mn2 N8 O15 -","- C108 H76 Mn4 N16 O30 -","2","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.1667","0.0623","","","0.1131","0.1478","","","","","","1.002","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231284","12.39","0.003","16.177","0.003","13.367","0.006","90","","120.16","0.02","90","","2316.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O9 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71","synchrotron","","0.0804","0.0762","","","0.2339","0.2364","","","","","","1.068","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231285","11.8697","0.0009","11.566","0.0009","16.8792","0.0013","90","","101.036","0.003","90","","2274.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Li, Shaodong; Lu, Liping; Zhu, Miaoli; Feng, Sisi; Su, Feng; Zhao, Xuefeng","Exploring the syntheses, structures, topologies, luminescence sensing and magnetism of Zn(ii) and Mn(ii) coordination polymers based on a semirigid tricarboxylate ligand","CrystEngComm","2018","20","36","5442","","10.1039/C8CE00947C","","","0.71073","MoKα","","0.0795","0.0483","","","0.1422","0.1601","","","","","","1.022","","","","has coordinates","229120","2020-10-21","18:00:00",""
"7231286","18.1925","0.0005","40.2091","0.0013","9.548","0.0003","90","","90","","90","","6984.4","0.4","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C58 H73 Co3 N14 O20 -","- C58 H73 Co3 N14 O20 -","- C232 H292 Co12 N56 O80 -","4","0.5","","Gao, Xiang; Zhang, Shan-Shan; Yan, Hui; Li, Yun-Wu; Liu, Qing-Yun; Wang, Xing-Po; Tung, Chen-Ho; Ma, Hui-Yan; Sun, Di","A pillar-layered porous CoII-MOF with dual active sites for selective gas adsorption","CrystEngComm","2018","20","34","4905","","10.1039/C8CE01118D","","x-ray","1.54184","CuKα","","0.0847","0.0684","","","0.1865","0.2033","","","","","","1.046","","","","has coordinates,has disorder","229138","2020-10-21","18:00:00",""
"7231287","31.3723","0.0017","5.5593","0.0005","23.8849","0.0014","90","","101.048","0.006","90","","4088.5","0.5","130","2","130","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C43 H51 N6 O3.5 -","- C43 H51 N6 O3.5 -","- C172 H204 N24 O14 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1302","0.1033","","","0.2555","0.293","","","","","","1.007","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231288","6.0032","0.0001","30.9388","0.0003","33.6555","0.0002","90","","90","","90","","6250.9","0.13","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 Cl6 N6 O6 -","- C68 H56 Cl6 N6 O6 -","- C272 H224 Cl24 N24 O24 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0484","0.047","","","0.1246","0.1263","","","","","","1.054","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231289","5.7811","0.0003","15.3719","0.0009","23.4378","0.0008","102.629","0.004","90.481","0.003","95.883","0.004","2020.72","0.18","130","2","130","2","","","","","","","","4","P 1","P 1","1","","","","- C42 H48 N6 O3 -","- C42 H48 N6 O3 -","- C84 H96 N12 O6 -","2","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.1063","0.0683","","","0.1605","0.1827","","","","","","0.986","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231290","9.8047","0.0001","43.1344","0.0004","19.4077","0.0002","90","","92.935","0.001","90","","8197.14","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.4 H48.4 Cl1.2 N6 O3 -","- C42.4 H48.4 Cl1.2 N6 O3 -","- C339.2 H387.2 Cl9.6 N48 O24 -","8","2","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0586","0.0579","","","0.147","0.1475","","","","","","1.072","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231291","4.2455","0.0015","46.493","0.015","8.218","0.002","90","","93.584","0.008","90","","1618.9","0.9","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0694","0.0474","","","0.0997","0.1087","","","","","","1.054","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231292","4.362","0.003","51.35","0.04","8.268","0.005","90","","93.56","0.02","90","","1848","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1659","0.066","","","0.1205","0.1481","","","","","","1.019","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231293","4.2498","0.0017","8.217","0.003","24.826","0.007","97.903","0.009","93.317","0.009","93.732","0.008","854.9","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.115","0.0574","","","0.1105","0.1298","","","","","","1.031","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231294","4.3773","0.0018","46.183","0.015","8.215","0.003","90","","93.759","0.006","90","","1657.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0903","0.0512","","","0.1107","0.1267","","","","","","1.028","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231295","4.3797","0.0017","8.22","0.003","24.683","0.008","98.313","0.013","93.051","0.008","93.777","0.006","875.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1438","0.0608","","","0.1136","0.143","","","","","","1.006","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231296","4.2348","0.0019","51.591","0.019","8.261","0.003","90","","93.622","0.011","90","","1801.2","1.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.1554","0.0837","","","0.1418","0.1628","","","","","","1.109","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231297","8.395","0.003","8.853","0.003","23.938","0.009","89.528","0.011","80.712","0.014","62.6","0.02","1554.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N2 O6 -","- C38 H38 N2 O6 -","- C76 H76 N4 O12 -","2","1","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0971","0.0551","","","0.1154","0.1333","","","","","","1.01","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231298","4.1696","0.0015","46.595","0.014","8.214","0.003","90","","93.529","0.01","90","","1592.8","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O6 -","- C40 H42 N2 O6 -","- C80 H84 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0655","0.0458","","","0.0959","0.1043","","","","","","1.059","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231299","4.168","0.0014","8.217","0.003","24.901","0.007","97.81","0.01","93.453","0.007","93.834","0.006","840.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","- C42 H46 N2 O6 -","1","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0972","0.0536","","","0.1049","0.1199","","","","","","1.018","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231300","4.154","0.002","51.72","0.02","8.253","0.003","90","","93.663","0.012","90","","1769.5","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 N2 O6 -","- C44 H50 N2 O6 -","- C88 H100 N4 O12 -","2","0.5","","Dharmarwardana, Madushani; Arimilli, Bhargav S.; Luzuriaga, Michael A.; Kwon, Sunah; Lee, Hamilton; Appuhamillage, Gayan A.; McCandless, Gregory T.; Smaldone, Ronald A.; Gassensmith, Jeremiah J.","The thermo-responsive behavior in molecular crystals of naphthalene diimides and their 3D printed thermochromic composites","CrystEngComm","2018","20","39","6054","","10.1039/C8CE00798E","","","0.71073","MoKα","","0.0933","0.0551","","","0.1056","0.1178","","","","","","1.062","","","","has coordinates","228972","2020-10-21","18:00:00",""
"7231301","10.2719","0.0002","16.6231","0.0003","19.0321","0.0004","90","","98.982","0.001","90","","3209.9","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H42 N2 O14 Zn2 -","- C47 H42 N2 O14 Zn2 -","- C94 H84 N4 O28 Zn4 -","2","1","","Tanaka, Koichi; Kinoshita, Maya; Kayahara, Jun; Uebayashi, Yutaro; Nakaji, Kazusada; Morawiak, Maja; Urbanczyk-Lipkowska, Zofia","Asymmetric ring-opening reaction of meso-epoxides with aromatic amines using homochiral metal‒organic frameworks as recyclable heterogeneous catalysts","RSC Advances","2018","8","49","28139","","10.1039/C8RA05163A","","","1.54178","CuKα","","0.0725","0.0664","","","0.1725","0.1811","","","","","","1.08","","","","has coordinates,has disorder","209412","2020-10-21","18:00:00",""
"7231302","9.906","0.003","20.872","0.005","10.617","0.003","90","","102.655","0.003","90","","2141.8","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Saavedra-Olavarría, Jorge; Madrid-Rojas, Matías; Almodovar, Iriux; Hermosilla-Ibáñez, Patricio; Pérez, Edwin G.","Synthesis of β-alkoxy-N-protected phenethylamines via one-pot copper-catalyzed aziridination and ring opening","RSC Advances","2018","8","49","27919","","10.1039/C8RA03815E","","","0.71073","MoKα","","0.0927","0.064","","","0.1846","0.2161","","","","","","1","","","","has coordinates","209413","2020-10-21","18:00:00",""
"7231303","35.286","0.009","35.286","0.009","35.286","0.009","90","","90","","90","","43935","19","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O33.08 Se1.56 -","- C18 H6 Hf6 O33.08 Se1.56 -","- C288 H96 Hf96 O529.28 Se24.96 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0994","0.0636","","","0.152","0.1722","","","","","","0.944","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231304","35.0872","0.0011","35.0872","0.0011","35.0872","0.0011","90","","90","","90","","43196","2","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C18 H6 Hf6 O34.16 Se1.44 -","- C18 H6 Hf6 O34.16 Se1.44 -","- C288 H96 Hf96 O546.56 Se23.04 -","16","","","Drout, Riki J.; Howarth, Ashlee J.; Otake, Ken-ichi; Islamoglu, Timur; Farha, Omar K.","Efficient extraction of inorganic selenium from water by a Zr metal‒organic framework: investigation of volumetric uptake capacity and binding motifs","CrystEngComm","2018","","","","","10.1039/C8CE00992A","","","1.54178","CuKα","","0.0409","0.0363","","","0.111","0.1134","","","","","","1.125","","","","has coordinates,has disorder","209459","2020-10-21","18:00:00",""
"7231310","29.9695","0.0015","8.1566","0.0005","12.1516","0.0007","90","","90.466","0.005","90","","2970.4","0.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O8 -","- C36 H32 N2 O8 -","- C144 H128 N8 O32 -","4","0.5","","Chen, Shaojin; Liu, Wei; Ge, Zhaohai; Zhang, Wenxuan; Wang, Kun-Peng; Hu, Zhi-Qiang","Dimethylamine substituted bisbenzocoumarins: solvatochromic, mechanochromic and acidochromic properties","CrystEngComm","2018","20","36","5432","","10.1039/C8CE01034J","","x-ray","1.54184","CuKα","","0.0909","0.0743","","","0.2221","0.2329","","","","","","1.023","","","","has coordinates","229121","2020-10-21","18:00:00",""
"7231311","5.6803","0.0005","22.15","0.002","23.2022","0.0016","90","","90.281","0.007","90","","2919.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14.5 F3 N3 O0.25 -","- C16 H14.5 F3 N3 O0.25 -","- C128 H116 F24 N24 O2 -","8","2","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","1.54184","CuKα","","0.1511","0.0915","","","0.2392","0.2987","","","","","","1.028","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231312","5.35503","0.00014","10.169","0.0002","32.73","0.0007","90","","92.72","0.002","90","","1780.31","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N3 O4 -","- C18 H23 N3 O4 -","- C72 H92 N12 O16 -","4","2","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","1.54184","CuKα","","0.0606","0.0493","","","0.1235","0.1355","","","","","","1.072","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231313","27.0703","0.0018","5.7522","0.0004","8.0156","0.0005","90","","90","","90","","1248.14","0.14","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H12 F3 N -","- C15 H12 F3 N -","- C60 H48 F12 N4 -","4","1","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","0.71073","MoKα","","0.0536","0.0489","","","0.1187","0.1228","","","","","","1.136","","","","has coordinates","230095","2020-10-21","18:00:00",""
"7231314","12.8362","0.0005","11.1053","0.0004","11.7668","0.0004","90","","92.584","0.004","90","","1675.65","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O2 -","- C18 H23 N3 O2 -","- C72 H92 N12 O8 -","4","1","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","0.71073","MoKα","","0.0659","0.0431","","","0.0875","0.0989","","","","","","1.014","","","","has coordinates","230095","2020-10-21","18:00:00",""
"7231315","5.66625","0.00019","18.3197","0.0005","17.6253","0.0006","90","","90.314","0.003","90","","1829.55","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","2","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","0.71073","MoKα","","0.0544","0.0421","","","0.0743","0.0791","","","","","","1.046","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231316","12.8553","0.0005","5.5968","0.0002","24.4632","0.0009","90","","92.11","0.003","90","","1758.9","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Sebest, Filip; Casarrubios, Luis; Rzepa, Henry S.; White, Andrew J. P.; Díez-González, Silvia","Thermal azide‒alkene cycloaddition reactions: straightforward multi-gram access to Δ2-1,2,3-triazolines in deep eutectic solvents","Green Chemistry","2018","20","17","4023","","10.1039/C8GC01797B","","","1.54184","CuKα","","0.0587","0.0421","","","0.1036","0.1185","","","","","","1.037","","","","has coordinates,has disorder","230095","2020-10-21","18:00:00",""
"7231317","8.7748","0.0006","8.9163","0.0007","13.3043","0.001","90","","98.065","0.003","90","","1030.62","0.13","100","2","99.98","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H29 Br I3 N -","- C13 H29 Br I3 N -","- C26 H58 Br2 I6 N2 -","2","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0529","0.0523","","","0.1327","0.1336","","","","","","1.062","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231318","8.7174","0.0005","8.8068","0.0005","13.2169","0.0007","90","","97.763","0.003","90","","1005.39","0.1","100","2","99.86","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C13 H29 Cl I3 N -","- C13 H29 Cl I3 N -","- C26 H58 Cl2 I6 N2 -","2","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0315","0.0291","","","0.0604","0.0614","","","","","","1.076","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231319","15.9191","0.0006","17.5775","0.0007","17.8152","0.0006","90","","90","","90","","4985","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H37 I4 N -","- C17 H37 I4 N -","- C136 H296 I32 N8 -","8","1","","Watson, Brandon; Grounds, Olivia; Borley, William; Rosokha, Sergiy V.","Resolving the halogen vs. hydrogen bonding dichotomy in solutions: intermolecular complexes of trihalomethanes with halide and pseudohalide anions.","Physical chemistry chemical physics : PCCP","2018","20","34","21999","22007","10.1039/c8cp03505a","","","0.71073","MoKα","","0.0474","0.035","","","0.0703","0.0797","","","","","","1.295","","","","has coordinates","230943","2020-10-21","18:00:00",""
"7231320","7.9648","0.0003","7.9932","0.0003","31.0201","0.0011","90","","96.409","0.002","90","","1962.53","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Co N10 O2 -","- C18 H21 Co N10 O2 -","- C72 H84 Co4 N40 O8 -","4","1","","Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities","RSC Advances","2018","8","49","28216","","10.1039/C8RA03035A","","","0.71073","MoKα","","0.0607","0.0547","","","0.1194","0.1219","","","","","","1.185","","","","has coordinates","209470","2020-10-21","18:00:00",""
"7231321","16.1282","0.0004","7.7871","0.0002","18.6891","0.0005","90","","104.133","0.001","90","","2276.15","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Co N10 O2 -","- C20 H25 Co N10 O2 -","- C80 H100 Co4 N40 O8 -","4","1","","Ghosh, Kousik; Banerjee, Abhisek; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","One pot synthesis of two cobalt(iii) Schiff base complexes with chelating pyridyltetrazolate and exploration of their bio-relevant catalytic activities","RSC Advances","2018","8","49","28216","","10.1039/C8RA03035A","","","0.71073","MoKα","","0.0325","0.0271","","","0.0714","0.0745","","","","","","1.053","","","","has coordinates","209470","2020-10-21","18:00:00",""
"7231322","21.884","0.0007","9.4228","0.0003","27.0076","0.0011","90","","113.472","0.002","90","","5108.4","0.3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H42 N6 -","- C23 H42 N6 -","- C184 H336 N48 -","8","1","","Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah","Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids","RSC Advances","2018","8","50","28313","","10.1039/C8RA05558K","","","0.71073","MoKα","","0.0744","0.0444","","","0.1369","0.1665","","","","","","1.16","","","","has coordinates,has disorder","209471","2020-10-21","18:00:00",""
"7231323","23.212","0.0004","9.0056","0.0001","13.5409","0.0002","90","","104.386","0.002","90","","2741.81","0.07","120.01","0.1","120.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 N6 O -","- C11 H20 N6 O -","- C88 H160 N48 O8 -","8","1","","Curnow, Owen J.; Polson, Matthew I. J.; Walst, Kelvin J.; Yunis, Ruhamah","Synthesis and physical properties of tris(dialkylamino)cyclopropenium dicyanamide ionic liquids","RSC Advances","2018","8","50","28313","","10.1039/C8RA05558K","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.1079","0.1103","","","","","","1.078","","","","has coordinates","209471","2020-10-21","18:00:00",""
"7231324","14.014","0.003","14.014","0.003","6.5964","0.0012","90","","90","","120","","1121.9","0.4","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1308","0.0839","","","0.2217","0.2382","","","","","","0.968","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231325","7.1163","0.0006","11.996","0.0011","14.4685","0.0013","90","","97.492","0.001","90","","1224.59","0.19","140","2","140","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0723","0.058","","","0.1449","0.1566","","","","","","1.08","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231326","14.3565","0.0005","14.3565","0.0005","6.5749","0.0002","90","","90","","120","","1173.59","0.07","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0528","0.0497","","","0.1347","0.1365","","","","","","1.104","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231327","14.205","0.004","14.205","0.004","6.6233","0.0018","90","","90","","120","","1157.4","0.6","100","2","100","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C42 H54 O6 -","3","0.5","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1262","0.0718","","","0.1622","0.1868","","","","","","0.943","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231328","6.9574","0.001","12.3167","0.0017","14.993","0.002","90","","97.665","0.002","90","","1273.3","0.3","340","2","340","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1157","0.0646","","","0.1974","0.2429","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231329","7.1268","0.0007","11.9819","0.0011","14.4375","0.0013","90","","97.432","0.001","90","","1222.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0755","0.0614","","","0.1452","0.1564","","","","","","1.056","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231330","6.9814","0.0012","12.218","0.002","14.914","0.003","90","","97.532","0.003","90","","1261.2","0.4","300","2","300","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0967","0.0598","","","0.1767","0.2077","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231331","7.1352","0.0006","11.9641","0.001","14.4049","0.0012","90","","97.366","0.001","90","","1219.54","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0775","0.0666","","","0.1593","0.1682","","","","","","1.065","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231332","6.967","0.0014","12.261","0.002","14.96","0.003","90","","97.58","0.003","90","","1266.8","0.4","320","2","320","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.1051","0.0618","","","0.1915","0.2282","","","","","","1.078","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231333","7.112","0.0006","12.0123","0.0011","14.5","0.0013","90","","97.558","0.001","90","","1227.99","0.19","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0727","0.0571","","","0.1457","0.1608","","","","","","1.064","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231334","14.25","0.007","14.25","0.007","6.62","0.007","90","","90","","120","","1164.2","1.5","173","2","100","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C10.5 H13.5 N0 O1.5 -","- C10.5 H13.5 O1.5 -","- C42 H54 O6 -","4","0.666667","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.2045","0.0835","","","0.2036","0.2461","","","","","","0.838","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231335","6.993","0.0008","12.1747","0.0014","14.8694","0.0018","90","","97.493","0.002","90","","1255.1","0.3","280","2","280","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0902","0.0578","","","0.1624","0.1906","","","","","","1.058","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231336","7.0442","0.0007","12.0864","0.0011","14.7091","0.0014","90","","97.509","0.001","90","","1241.6","0.2","220","2","220","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0783","0.0566","","","0.1472","0.1647","","","","","","1.063","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231337","7.0671","0.0007","12.0636","0.0011","14.6451","0.0013","90","","97.534","0.001","90","","1237.8","0.2","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0746","0.0558","","","0.1465","0.1622","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231338","7.0251","0.0008","12.1145","0.0013","14.77","0.0016","90","","97.488","0.002","90","","1246.3","0.2","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0803","0.0561","","","0.1498","0.168","","","","","","1.062","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231339","7.0911","0.0007","12.0408","0.0011","14.5761","0.0013","90","","97.552","0.001","90","","1233.7","0.2","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0732","0.0565","","","0.1467","0.1605","","","","","","1.076","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231340","7.0076","0.0008","12.142","0.0015","14.8216","0.0018","90","","97.481","0.002","90","","1250.4","0.3","260","2","260","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-Bis(1-hydroxycyclopentyl)buta-1,3-diyne","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Das, Dinabandhu; Barbour, Leonard J.","Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal","CrystEngComm","2018","20","35","5123","","10.1039/C8CE01169A","","","0.71073","MoKα","","0.0843","0.0561","","","0.1527","0.1754","","","","","","1.055","","","","has coordinates","229131","2020-10-21","18:00:00",""
"7231341","12.9994","0.0008","12.9994","0.0008","29.744","0.002","90","","90","","90","","5026.3","0.6","170","2","170","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C50 H54 N6 O15 S2 -","- C50 H54 N6 O15 S2 -","- C200 H216 N24 O60 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.0949","0.06","","","0.1552","0.1776","","","","","","1.06","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231342","13.13","0.0003","13.13","0.0003","28.8287","0.0006","90","","90","","90","","4969.98","0.19","50","","50","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C51 H55 N8 O16 S2 -","- C51 H55 N8 O16 S2 -","- C204 H220 N32 O64 S8 -","4","0.5","","Wang, Feng-Yuan; Zhang, Qi; Zhang, Zaiyong; Gong, Xiaoyi; Wang, Jian-Rong; Mei, Xuefeng","Solid-state characterization and solubility enhancement of apremilast drug‒drug cocrystals","CrystEngComm","2018","20","39","5945","","10.1039/C8CE00689J","","","0.71073","MoKα","","0.1237","0.1208","","","0.2959","0.2985","","","","","","1.05","","","","has coordinates,has disorder","228971","2020-10-21","18:00:00",""
"7231343","12.872","0.002","18.867","0.003","9.9383","0.0015","90","","90","","90","","2413.6","0.6","173","2","173.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H32 Cd N4 O4 -","- C24 H32 Cd N4 O4 -","- C96 H128 Cd4 N16 O16 -","4","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.0493","0.0357","","","0.0937","0.1046","","","","","","1.062","","","","has coordinates,has disorder","229148","2020-10-21","18:00:00",""
"7231344","4.9673","0.0002","11.0634","0.0008","14.1225","0.0008","88.044","0.005","83.108","0.004","82.997","0.004","764.6","0.08","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","- C32 H40 Cd2 N4 O8 -","1","0.5","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.029","0.0268","","","0.0625","0.064","","","","","","1.059","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231345","7.5109","0.0006","10.1052","0.0007","15.4694","0.0011","89.61","0.001","88.201","0.001","84.586","0.001","1168.29","0.15","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28.5 Cd N4 O4.25 -","- C24 H28.5 Cd N4 O4.25 -","- C48 H57 Cd2 N8 O8.5 -","2","1","","LaDuca, Andrew R.; LaDuca, Robert L.","Nitroaromatic-detecting cadmium cyclohexyldicarboxylate coordination polymers with bis(4-pyridylmethyl)piperazine coligands and unprecedented 2D and 3D topologies","CrystEngComm","2018","20","38","5677","","10.1039/C8CE01041B","","","0.71073","MoKα","","0.032","0.0288","","","0.0605","0.0623","","","","","","1.13","","","","has coordinates","229148","2020-10-21","18:00:00",""
"7231346","11.2915","0.0004","16.6242","0.0006","32.7927","0.0012","90","","90","","90","","6155.6","0.4","199.9","0.4","199.9","0.4","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Cl9 Ir N2 O4 S -","- C18 H26 Cl9 Ir N2 O4 S -","- C144 H208 Cl72 Ir8 N16 O32 S8 -","8","1","","Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.","Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water","Green Chemistry","2018","20","17","4094","","10.1039/C8GC01933A","","x-ray","0.71073","MoKα","","0.0386","0.0325","","","0.0791","0.0845","","","","","","1.065","","","","has coordinates","230096","2020-10-21","18:00:00",""
"7231347","8.592","0.0002","10.2464","0.0003","12.6648","0.0003","78.655","0.002","82.445","0.002","67.017","0.003","1004.56","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Ir N2 O2 -","- C22 H27 Ir N2 O2 -","- C44 H54 Ir2 N4 O4 -","2","1","","Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.","Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water","Green Chemistry","2018","20","17","4094","","10.1039/C8GC01933A","","x-ray","0.71073","MoKα","","0.0494","0.0399","","","0.094","0.1087","","","","","","1.141","","","","has coordinates,has disorder","230096","2020-10-21","18:00:00",""
"7231348","11.2529","0.0005","21.6653","0.0007","12.9575","0.0005","90","","111.582","0.005","90","","2937.5","0.2","200","0.1","200","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cl2 F6 Ir N2 O8 S2 -","- C18 H29 Cl2 F6 Ir N2 O8 S2 -","- C72 H116 Cl8 F24 Ir4 N8 O32 S8 -","4","1","","Borja, Pilar; Vicent, Cristian; Baya, Miguel; García, Hermenegildo; Mata, Jose A.","Iridium complexes catalysed the selective dehydrogenation of glucose to gluconic acid in water","Green Chemistry","2018","20","17","4094","","10.1039/C8GC01933A","","x-ray","0.71073","MoKα","","0.0343","0.0302","","","0.0739","0.0769","","","","","","1.059","","","","has coordinates","230096","2020-10-21","18:00:00",""
"7231349","8.5166","0.0006","6.3092","0.0004","11.828","0.0008","90","","107.898","0.007","90","","604.8","0.07","293","2","293","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Dixit, Manish Kumar; Dubey, Mrigendra","Li<sup>+</sup>-Induced fluorescent metallogel: a case of ESIPT-CHEF and ICT phenomenon.","Physical chemistry chemical physics : PCCP","2018","20","36","23762","23772","10.1039/c8cp04579h","","x-ray","0.71073","MoKα","","0.0791","0.0693","","","0.2005","0.2152","","","","","","1.0311","","","","has coordinates","230941","2020-10-21","18:00:00",""
"7231350","7.6101","0.0013","8.0298","0.0007","8.5371","0.0009","81.12","0.006","65.955","0.012","73.612","0.011","456.6","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Iodo-5-nitroisoquinoline","","- C9 H5 I N2 O2 -","- C9 H5 I N2 O2 -","- C18 H10 I2 N4 O4 -","2","1","","Vinueza, Nelson R.; Jankiewicz, Bartłomiej J; Gallardo, Vanessa A.; Nash, John J.; Kenttämaa, Hilkka I","Effects of hydrogen bonding on the gas-phase reactivity of didehydroisoquinolinium cation isomers.","Physical chemistry chemical physics : PCCP","2018","20","33","21567","21572","10.1039/c8cp03350a","","","1.54178","CuKα","","0.0365","0.0364","","","0.0972","0.0973","","","","","","1.041","","","","has coordinates","230909","2020-10-21","18:00:00",""
"7231351","13.4441","0.0009","13.8945","0.0009","15.6741","0.001","67.977","0.004","69.106","0.004","86.313","0.004","2527.6","0.3","147","2","147","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H41 B Cl4 F2 N2 O2 -","- C59 H41 B Cl4 F2 N2 O2 -","- C118 H82 B2 Cl8 F4 N4 O4 -","2","1","","Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.","Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications","RSC Advances","2018","8","50","28533","","10.1039/C8RA03384F","","","1.54178","CuKα","","0.075","0.0538","","","0.1432","0.1578","","","","","","1.042","","","","has coordinates","209559","2020-10-21","18:00:00",""
"7231352","10.832","0.0005","13.6752","0.0005","18.0475","0.0007","77.65","0.002","74.953","0.002","73.617","0.002","2448.18","0.18","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H37 B F2 N2 O2 -","- C57 H37 B F2 N2 O2 -","- C114 H74 B2 F4 N4 O4 -","2","1","","Yousaf, Muhammad; Zarate, Ximena; Schott, Eduardo; Lough, Alan J.; Koivisto, Bryan D.","Photophysical behaviour of BODIPY-phenylacetylene macrocyclic dyads for light-harvesting applications","RSC Advances","2018","8","50","28533","","10.1039/C8RA03384F","","","1.54178","CuKα","","0.0687","0.0474","","","0.1177","0.1298","","","","","","1.039","","","","has coordinates","209559","2020-10-21","18:00:00",""
"7231353","10.1548","0.0004","10.837","0.0004","12.2962","0.0005","91.796","0.001","98.909","0.001","112.907","0.001","1225.16","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 N12 O4 Zn -","- C22 H14 N12 O4 Zn -","- C44 H28 N24 O8 Zn2 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0352","0.0336","","","0.1046","0.1057","","","","","","1.038","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231354","10.713","0.003","6.9055","0.0016","18.844","0.004","90","","100.097","0.004","90","","1372.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N7 O5 Zn -","- C11 H7 N7 O5 Zn -","- C44 H28 N28 O20 Zn4 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.057","0.0385","","","0.0906","0.0995","","","","","","1.035","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231355","6.0986","0.001","15.19","0.003","13.895","0.002","90","","100.349","0.005","90","","1266.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 N12 O4 Zn2 -","- C22 H14 Cl2 N12 O4 Zn2 -","- C44 H28 Cl4 N24 O8 Zn4 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0289","0.0254","","","0.0985","0.1038","","","","","","1.002","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231356","9.174","0.008","11.395","0.009","10.554","0.008","90","","101.254","0.013","90","","1082.1","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","0.5","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0363","0.0291","","","0.0768","0.0817","","","","","","1.062","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231357","12.146","0.005","18.094","0.008","7.506","0.003","90","","107.505","0.007","90","","1573.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N7 O7 -","- C11 H7 Cd N7 O7 -","- C44 H28 Cd4 N28 O28 -","4","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.1372","0.1174","","","0.3045","0.3122","","","","","","1.038","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231358","4.4245","0.0003","26.1617","0.0019","9.5862","0.0007","90","","92.754","0.002","90","","1108.34","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H14 Cd N12 O4 -","- C22 H14 Cd N12 O4 -","- C44 H28 Cd2 N24 O8 -","2","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0262","0.0261","","","0.0682","0.0683","","","","","","1.02","","","","has coordinates","228909","2020-10-21","18:00:00",""
"7231359","34.2197","0.0012","7.8669","0.0003","18.949","0.0007","90","","104.802","0.001","90","","4931.8","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cd N12 O5 -","- C21.9999 H13.9999 Cd N11.9999 O5 -","- C175.999 H111.999 Cd8 N95.9992 O40 -","8","1","","Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process","CrystEngComm","2018","20","37","5531","","10.1039/C8CE01233D","","","0.71073","MoKα","","0.0306","0.0265","","","0.0723","0.0745","","","","","","1.059","","","","has coordinates,has disorder","228909","2020-10-21","18:00:00",""
"7231362","27.56","0.004","27.56","0.004","12.012","0.002","90","","90","","90","","9124","2","293","2","293","2","","","","","","","","7","I 41/a m d","-I 4bd 2","141","","","","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C48 H40 Mo24 N16 O80 P2 Zn8 -","- C96 H80 Mo48 N32 O160 P4 Zn16 -","2","","","Peng, Hai-Yue; Yang, Xiao-Jian; Ma, Yuan-Yuan; Liu, Jia-Ning; Wang, Yong-Hui; Tan, Huaqiao; Li, Yang-Guang","Polyoxometalate-based metal-organic framework loading with ultra-low amount of Pt as efficient electrocatalyst for hydrogen production","CrystEngComm","2018","","","","","10.1039/C8CE01151F","","","0.71073","MoKα","","0.0778","0.0669","","","0.1675","0.1782","","","","","","1.035","","","","has coordinates","209658","2020-10-21","18:00:00",""
"7231363","6.7038","0.0011","9.1027","0.0015","21.146","0.003","90","","91.335","0.002","90","","1290","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N3 Si2 -","- C8 H19 N3 Si2 -","- C32 H76 N12 Si8 -","4","1","","Roshandel, Sahar; Suri, Suresh C.; Marcischak, Jacob C.; Rasul, Golam; Surya Prakash, G. K.","Catalyst and solvent free microwave-assisted synthesis of substituted 1,2,3-triazoles","Green Chemistry","2018","20","16","3700","","10.1039/C8GC01516C","","","0.71073","MoKα","","0.0685","0.0655","","","0.1652","0.1665","","","","","","1.046","","","","has coordinates","209659","2020-10-21","18:00:00",""
"7231364","7.9386","0.0005","7.9386","0.0005","21.494","0.003","90","","90","","120","","1173.1","0.19","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C6 H14 Cr N2 Na O12 -","- C6 H14 Cr N2 Na O12 -","- C18 H42 Cr3 N6 Na3 O36 -","3","0.166667","","Ptak, Maciej; Stefańska, Dagmara; Gągor, Anna; Svane, Katrine L.; Walsh, Aron; Paraguassu, Waldeci","Heterometallic perovskite-type metal-organic framework with an ammonium cation: structure, phonons, and optical response of [NH<sub>4</sub>]Na<sub>0.5</sub>Cr<sub>x</sub>Al<sub>0.5-x</sub>(HCOO)<sub>3</sub> (x = 0, 0.025 and 0.5).","Physical chemistry chemical physics : PCCP","2018","20","34","22284","22295","10.1039/c8cp03788d","","","0.71073","MoKα","","0.0658","0.0399","","","0.0827","0.0918","","","","","","1.018","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231365","10.0029","0.0012","10.0029","0.0012","13.0457","0.0016","90","","90","","120","","1130.4","0.2","120","2","120","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","beta-sodium uranium(IV) pentafluoride","beta-sodium pentafluorouranate","","- F5 Na U -","- F15 Na2.9999 U3 -","- F60 Na11.9996 U12 -","4","0.333333","","Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.","Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O","RSC Advances","2018","8","50","28642","","10.1039/C8RA05780J","","","0.71073","MoKα","","0.0215","0.02","","","0.0378","0.0382","","","","","","1.353","","","","has coordinates","209663","2020-10-21","18:00:00",""
"7231366","7.957","0.003","7.027","0.002","8.792","0.003","90","","108.678","0.007","90","","465.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","beta-sodium uranium(IV) pentafluoride hydrate","beta-sodium pentafluorouranate monohydrate","","- F5 H2 Na O U -","- F5 H2 Na O U -","- F20 H8 Na4 O4 U4 -","4","1","","Chemey, Alexander T.; Sperling, Joseph M.; Albrecht-Schmitt, Thomas E.","Expanding pentafluorouranates: hydrothermal synthesis and characterization of β-NaUF5 and β-NaUF5·H2O","RSC Advances","2018","8","50","28642","","10.1039/C8RA05780J","","","0.71073","MoKα","","0.0416","0.036","","","0.1016","0.1046","","","","","","1.068","","","","has coordinates","209663","2020-10-21","18:00:00",""
"7231367","10.3713","0.0008","12.4965","0.0009","11.9806","0.0009","90","","94.277","0.008","90","","1548.4","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 Cl2 N2 O2 Zn -","- C10 H20 Cl2 N2 O2 Zn -","- C40 H80 Cl8 N8 O8 Zn4 -","4","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0971","0.0518","","","0.1247","0.1395","","","","","","0.841","","","","has coordinates,has disorder","209664","2020-10-21","18:00:00",""
"7231368","6.63584","0.00015","11.8221","0.0003","34.9929","0.0008","90","","90","","90","","2745.18","0.11","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Cl2 Cu N2 O2 -","- C10 H22 Cl2 Cu N2 O2 -","- C80 H176 Cl16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0792","0.072","","","0.1792","0.1818","","","","","","1.268","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231369","6.68836","0.00015","12.3506","0.0003","35.1567","0.0008","90","","90","","90","","2904.13","0.12","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Br2 Cu N2 O2 -","- C10 H22 Br2 Cu N2 O2 -","- C80 H176 Br16 Cu8 N16 O16 -","8","1","","Mardani, Zahra; Kazemshoar-Duzduzani, Reza; Moeini, Keyvan; Hajabbas-Farshchi, Alireza; Carpenter-Warren, Cameron; Slawin, Alexandra M. Z.; Woollins, J. Derek","Anticancer activities of a β-amino alcohol ligand and nanoparticles of its copper(ii) and zinc(ii) complexes evaluated by experimental and theoretical methods","RSC Advances","2018","8","50","28810","","10.1039/C8RA04578J","","","0.71075","MoKα","","0.0236","0.0206","","","0.0532","0.0541","","","","","","1.06","","","","has coordinates","209664","2020-10-21","18:00:00",""
"7231370","5.7789","0.0003","12.3293","0.0007","24.9401","0.0014","90","","90","","90","","1776.98","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0559","0.0361","","","0.104","0.1268","","","","","","0.933","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231371","9.5641","0.0007","20.0364","0.001","30.4887","0.0017","90","","90","","90","","5842.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 F3 N5 O6 S -","- C27 H32 F3 N5 O6 S -","- C216 H256 F24 N40 O48 S8 -","8","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.1115","0.0657","","","0.1271","0.1437","","","","","","1.009","","","","has coordinates,has disorder","229129","2020-10-21","18:00:00",""
"7231372","5.5932","0.0003","6.0945","0.0004","16.8563","0.0008","97.308","0.004","94.713","0.004","107.291","0.005","539.79","0.06","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 F N4 O3 -","- C9 H13 F N4 O3 -","- C18 H26 F2 N8 O6 -","2","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","1.54178","CuKα","","0.0426","0.0417","","","0.1117","0.1137","","","","","","1.047","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231373","11.185","0.0009","8.9191","0.0009","17.2838","0.0015","90","","96.393","0.009","90","","1713.5","0.3","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N5 O4 S2 -","- C14 H19 N5 O4 S2 -","- C56 H76 N20 O16 S8 -","4","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0921","0.0556","","","0.1151","0.1332","","","","","","0.973","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231374","13.114","0.002","22.015","0.004","9.2346","0.0016","90","","105.66","0.005","90","","2567.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C124 H100 Cl4 N8 O12 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1589","0.0652","","","0.141","0.1742","","","","","","1.01","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231375","7.9309","0.0008","8.1886","0.0008","18.5826","0.0019","96.559","0.003","100.627","0.004","98.478","0.003","1160.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C54 H56 N4 O6 -","2","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1012","0.0591","","","0.1385","0.156","","","","","","1.03","","","","has coordinates,has disorder","209705","2020-10-21","18:00:00",""
"7231376","8.5245","0.0008","9.0785","0.0009","25.005","0.003","90","","90","","90","","1935.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1346","0.0565","","","0.1107","0.1328","","","","","","1.005","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231377","15.3274","0.0014","10.9875","0.001","15.7022","0.0014","90","","106.769","0.003","90","","2532","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Br N2 O4 -","- C31 H25 Br N2 O4 -","- C124 H100 Br4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.097","0.0437","","","0.0842","0.0979","","","","","","1.011","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231378","15.2082","0.001","10.9099","0.0006","15.7373","0.0011","90","","106.78","0.002","90","","2500","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 Cl N2 O4 -","- C31 H25 Cl N2 O4 -","- C124 H100 Cl4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1411","0.0554","","","0.1033","0.1257","","","","","","1.008","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231379","14.2605","0.0005","13.5158","0.0005","14.5519","0.0005","90","","115.111","0.0009","90","","2539.68","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Br Cl N2 O4 -","- C30 H22 Br Cl N2 O4 -","- C120 H88 Br4 Cl4 N8 O16 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.0886","0.0476","","","0.1261","0.1499","","","","","","1.042","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231380","29.349","0.002","11.9764","0.0009","11.579","0.0009","90","","90","","90","","4070","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H23 Cl N2 O5 -","- C20 H23 Cl N2 O5 -","- C160 H184 Cl8 N16 O40 -","8","1","","Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing","Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner","RSC Advances","2018","8","51","28874","","10.1039/C8RA05264F","","","0.71073","MoKα","","0.0673","0.063","","","0.1718","0.1755","","","","","","1.119","","","","has coordinates","209706","2020-10-21","18:00:00",""
"7231381","11.4132","0.0008","18.7392","0.0012","19.1989","0.0011","71.434","0.005","73.347","0.005","81.818","0.005","3723.3","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Henicosa-[μ~3~-oxido]-nonadeca-[μ~3~-hydroxido]-octa-[μ-hydroxido]-tetraicosa-[μ-formiato-κ^2^O1:O2]-tetra-[formiato-κ^2^O1:O2]-hepta-[formiato-κO]-pentaaqua-hexaicosazirconium(IV) penta-formic acid solvate pentadecahydrate","","- C40 H82 O133 Zr26 -","- C40 H40 O133 Zr26 -","- C40 H40 O133 Zr26 -","1","0.5","","Nateghi, Bahareh; Boldog, Ishtvan; Domasevitch, Konstiantyn V.; Janiak, Christoph","More versatility than thought: large {Zr26} oxocarboxylate cluster by corner-sharing of standard octahedral subunits","CrystEngComm","2018","20","35","5132","","10.1039/C8CE01064A","","","1.54186","CuKα","","0.0719","0.0561","","","0.1533","0.1625","","","","","","0.981","","","","has coordinates,has disorder","229123","2020-10-21","18:00:00",""
"7231382","13.274","0.003","14.344","0.003","6.1256","0.0012","90","","101.518","0.009","90","","1142.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 F4 N -","- C14 H7 F4 N -","- C56 H28 F16 N4 -","4","1","","Charpe, Vaibhav Pramod; Hande, Aniket A.; Sagadevan, Arunachalam; Hwang, Kuo Chu","Visible-light induced copper(i)-catalysed denitrogenative oxidative coupling of hydrazinylpyridines with terminal alkynes","Green Chemistry","2018","20","21","4859","","10.1039/C8GC01180J","","","0.71073","MoKα","","0.0735","0.046","","","0.1159","0.1476","","","","","","1.111","","","","has coordinates","230119","2020-10-21","18:00:00",""
"7231383","13.9928","0.0003","15.6007","0.0003","9.13185","0.00019","90","","102.292","0.002","90","","1947.76","0.07","150","0.02","150","0.02","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Fe O3 S6 -","- C12 H21 Fe O3 S6 -","- C48 H84 Fe4 O12 S24 -","4","1","","Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul","Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors","RSC Advances","2018","8","51","29096","","10.1039/C8RA04917C","","x-ray","0.71073","MoKα","","0.0194","0.0177","","","0.0439","0.0446","","","","","","1.035","","","","has coordinates","209774","2020-10-21","18:00:00",""
"7231384","9.8787","0.0002","9.6899","0.0002","21.8298","0.0005","90","","101.469","0.002","90","","2047.9","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Fe O3 S6 -","- C12 H21 Fe O3 S6 -","- C48 H84 Fe4 O12 S24 -","4","1","","Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul","Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors","RSC Advances","2018","8","51","29096","","10.1039/C8RA04917C","","x-ray","0.71073","MoKα","","0.0288","0.0231","","","0.0517","0.0537","","","","","","1.029","","","","has coordinates","209774","2020-10-21","18:00:00",""
"7231385","12.402","","14.734","","20.85","","90","","90","","90","","3809.94","","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","tetra(isonicotinato)-(acetato)-di(aqua)-(?3-hydroxo)-tri-manganese(ii)","","- C26 H22 Mn3 N4 O12 -","- C26 H22 Mn3 N4 O12 -","- C104 H88 Mn12 N16 O48 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.049","0.0437","","","0.1258","0.1285","","","","","","1.125","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231386","19.582","0.0011","20.1291","0.0007","12.0113","0.0004","90","","90","","90","","4734.5","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","tetra(isonicotinato)-di(N,N-dimethylacetamide)-(aqua)-(?3-hydroxo)-tri-cobalt(ii)","","- C32 H37 Cl Co3 N6 O16 -","- C32 H37 Cl Co3 N6 O16 -","- C128 H148 Cl4 Co12 N24 O64 -","4","0.5","","Zhou, Lei; Zhou, Baolei; Cui, Zheng; Qin, Bowen; Zhang, Xiaoying; Li, Wenliang; Zhang, Jingping","Charge control of the formation of two neutral/cationic metal‒organic frameworks based on neutral/cationic triangular clusters and isonicotinic acid: structure, gas adsorption and magnetism","CrystEngComm","2018","20","36","5402","","10.1039/C8CE00997J","","","0.71073","MoKα","","0.0959","0.0786","","","0.2223","0.2356","","","","","","1.061","","","","has coordinates,has disorder","229116","2020-10-21","18:00:00",""
"7231387","5.8605","0.0004","13.6144","0.0009","19.3605","0.0014","90","","105.582","0.003","90","","1487.95","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Co N2 O9 P -","- C9 H18 Co N2 O9 P -","- C36 H72 Co4 N8 O36 P4 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.1058","0.0845","","","0.1963","0.2057","","","","","","1.058","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231388","15.3007","0.0009","8.2832","0.0005","16.2601","0.001","90","","113.487","0.002","90","","1890","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Co2 N2 O14 P2 -","- C10 H20 Co2 N2 O14 P2 -","- C40 H80 Co8 N8 O56 P8 -","4","1","","Gao, Fan; Huang, Liangliang; Xiu, Zhijia; Yin, Yanzhen; Ma, Yike; Bi, Yanfeng; Zheng, Zhiping","Solvent-free synthesis and room temperature proton conductivity of new cobalt phosphite‒oxalates","CrystEngComm","2018","20","37","5544","","10.1039/C8CE01198B","","","0.71073","MoKα","","0.0565","0.0377","","","0.081","0.0876","","","","","","1.006","","","","has coordinates","228908","2020-10-21","18:00:00",""
"7231389","15.459","","9.19","","23.79","","90","","95.25","","90","","3365.62","","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Choline trichlorostanate","","- C15 H45 Cl9 N3 O4.5 Sn3 -","- C15 H42 Cl9 N3 O4.5 Sn3 -","- C60 H168 Cl36 N12 O18 Sn12 -","4","1","","Bayu, Asep; Yoshida, Akihiro; Karnjanakom, Surachai; Kusakabe, Katsuki; Hao, Xiaogang; Prakoso, Tirto; Abudula, Abuliti; Guan, Guoqing","Catalytic conversion of biomass derivatives to lactic acid with increased selectivity in an aqueous tin(ii) chloride/choline chloride system","Green Chemistry","2018","20","17","4112","","10.1039/C8GC01022F","","","0.71075","MoKα","","0.1029","0.0904","","","0.2148","0.2223","","","","","","1.022","","","","has coordinates","230097","2020-10-21","18:00:00",""
"7231390","26.685","0.005","4.809","0.001","36.125","0.007","90","","107.56","0.03","90","","4419.8","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H55 Cl2 N7 O16 -","- C32 H41 Cl2 N7 O16 -","- C128 H164 Cl8 N28 O64 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.8","Synchrotron","","0.2381","0.142","","","0.2954","0.3499","","","","","","1.136","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231391","28.206","0.006","4.803","0.001","35.888","0.007","90","","97.44","0.03","90","","4820.9","1.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H64 I2 N7 O20.5 -","- C32 H41 I2 N7 O20.5 -","- C128 H164 I8 N28 O82 -","4","1","","Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Metrangolo, Pierangelo","Halogen bonding at the wet interfaces of an amyloid peptide structure","CrystEngComm","2018","20","36","5321","","10.1039/C8CE01205A","","","0.7","Synchrotron","","0.096","0.0714","","","0.1751","0.1904","","","","","","1.026","","","","has coordinates,has disorder","229118","2020-10-21","18:00:00",""
"7231392","10.742","0.0016","12.7566","0.0017","16.96","0.002","85.703","0.011","80.218","0.012","66.118","0.013","2094.1","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 Dy F9 N2 O9 -","- C45 H32 Dy F9 N2 O9 -","- C90 H64 Dy2 F18 N4 O18 -","2","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo","Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)","RSC Advances","2018","8","52","29513","","10.1039/C8RA06240D","","","1.54184","CuKα","","0.0961","0.0635","","","0.1479","0.1863","","","","","","1.027","","","","has coordinates","210015","2020-10-21","18:00:00",""
"7231393","11.5704","0.0011","12.1367","0.0011","15.4949","0.0013","98.652","0.007","100.231","0.008","102.305","0.008","2051.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H23 Cl3 Dy F9 N2 O6 -","- C42 H23 Cl3 Dy F9 N2 O6 -","- C84 H46 Cl6 Dy2 F18 N4 O12 -","2","1","","Zhang, Sheng; Mo, Wenjiao; Zhang, Jiangwei; Wu, Haipeng; Li, Min; Lü, Xingqiang; Yin, Bing; Yang, Desuo","Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (‒Cl/‒OCH3)","RSC Advances","2018","8","52","29513","","10.1039/C8RA06240D","","x-ray","1.54184","CuKα","","0.1255","0.0639","","","0.0855","0.1123","","","","","","1.008","","","","has coordinates,has disorder","210015","2020-10-21","18:00:00",""
"7231394","7.3902","0.0004","8.3748","0.0005","43.293","0.003","90","","90","","90","","2679.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Luo, Dong-Dong; Peng, Kai; Yang, Jia-Yu; Piyachaturawat, Pawinee; Saengsawang, Witchuda; Ao, Lei; Zhao, Wan-Zhou; Tang, Yu; Wan, Sheng-Biao","Structural modification of oridonin via DAST induced rearrangement","RSC Advances","2018","8","52","29548","","10.1039/C8RA05728A","","","1.54184","CuKα","","0.0564","0.0506","","","0.1164","0.1218","","","","","","1.159","","","","has coordinates","210016","2020-10-21","18:00:00",""
"7231395","19.911","0.003","20.945","0.003","23.811","0.004","106.471","0.003","107.031","0.003","108.096","0.003","8223","2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C90 H101 N6 O12 -","- C90 H101 N6 O12 -","- C360 H404 N24 O48 -","4","2","","Zhu, Xin-Qi; Yuan, Han; Sun, Qing; Zhou, Bo; Han, Xiao-Qin; Zhang, Zhi-Xin; Lu, Xin; Ye, Long-Wu","Benign catalysis with zinc: atom-economical and divergent synthesis of nitrogen heterocycles by formal [3 + 2] annulation of isoxazoles with ynol ethers","Green Chemistry","2018","20","18","4287","","10.1039/C8GC02051E","","","0.71073","MoKα","","0.1043","0.0635","","","0.1576","0.1816","","","","","","1.024","","","","has coordinates","230117","2020-10-21","18:00:00",""
"7231396","13.407","0.006","20.998","0.009","13.171","0.006","90","","104.296","0.006","90","","3593","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H52 Cu4 N12 O60 Si W12 -","- C20 H16 Cu4 N12 O51 Si W12 -","- C40 H32 Cu8 N24 O102 Si2 W24 -","2","0.5","","Luo, Yu-Hui; Yi, Li-Qiang; Lu, Jia-Ni; Dong, Long-Zhang; Lan, Ya-Qian","A stable polyoxometalate-based porous coordination polymer with high proton conductivity","CrystEngComm","2018","20","39","6077","","10.1039/C8CE00693H","","","0.71073","MoKα","","0.1333","0.0802","","","0.1763","0.1984","","","","","","1.035","","","","has coordinates,has disorder","228975","2020-10-21","18:00:00",""
"7231397","33.908","0.002","17.5051","0.0013","15.7559","0.0013","90","","115.591","0.005","90","","8434.7","1.1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-zinc(II)-N,N'-dimethylformamide solvate]","","- C48 H35 N7 O7 Zn -","- C48 H35 N7 O7 Zn -","- C384 H280 N56 O56 Zn8 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0829","0.0623","","","0.1664","0.1826","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231398","16.2604","0.0006","17.381","0.0006","30.3417","0.001","90","","101.28","0.002","90","","8409.6","0.5","100","2","99.99","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N'-dimethylformamide solvate]","","- C48.75 H36.75 Mn N7.25 O7.25 -","- C48.75 H36.75 Mn N7.25 O7.25 -","- C390 H294 Mn8 N58 O58 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","","1.54178","CuKα","","0.0781","0.0636","","","0.1723","0.1847","","","","","","1.029","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231399","34.7205","0.0018","17.3089","0.0006","15.8202","0.0007","90","","115.923","0.002","90","","8550.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.1 H32.9 N6.7 Ni O6.7 -","- C45 H28 N6 Ni O6 -","- C360 H224 N48 Ni8 O48 -","8","1","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","1.54178","CuKα","","0.1612","0.0996","","","0.2742","0.3409","","","","","","1.045","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231400","16.281","0.003","17.516","0.003","30.291","0.004","90","","100.546","0.003","90","","8492","2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H35 Cd N7 O7 -","- C48 H35 Cd N7 O7 -","- C384 H280 Cd8 N56 O56 -","8","2","","Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang","Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers","CrystEngComm","2018","20","35","5127","","10.1039/C8CE01211C","","x-ray","0.71073","MoKα","","0.1881","0.1267","","","0.251","0.2798","","","","","","1.185","","","","has coordinates,has disorder","229124","2020-10-21","18:00:00",""
"7231401","11.52","0.004","12.109","0.004","12.548","0.003","112.79","0.02","100.47","0.03","102.1","0.02","1509.3","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H22 F9 O15 Rb3 S3 -","- C13 H22 F9 O15 Rb3 S3 -","- C26 H44 F18 O30 Rb6 S6 -","2","1","","Dankert, Fabian; Heine, Johanna; Rienmüller, Julia; von Hänisch, Carsten","Sila-polyethers as innocent crystallization reagents for heavy alkali metal compounds","CrystEngComm","2018","20","36","5370","","10.1039/C8CE01097H","","","0.71073","MoKα","","0.0481","0.0328","","","0.0778","0.0818","","","","","","1.001","","","","has coordinates","229117","2020-10-21","18:00:00",""
"7231402","7.3678","0.0007","7.3678","0.0007","8.4912","0.0009","90","","90","","120","","399.19","0.07","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0489","0.0413","","","0.0987","0.112","","","","","","1.193","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231403","7.32804","0.00014","7.32804","0.00014","8.4964","0.00019","90","","90","","120","","395.131","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0359","0.0301","","","0.0665","0.0788","","","","","","1.249","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231404","7.33778","0.00019","7.33778","0.00019","8.4822","0.0003","90","","90","","120","","395.52","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0338","0.0272","","","0.06","0.068","","","","","","1.151","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231405","6.714","0.005","7.119","0.004","14.031","0.005","90","","89.99","0.04","90","","670.6","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1952","0.1402","","","0.1499","0.1631","","","","3.74","3.74","2.97","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231406","6.64","0.0019","8.4889","0.0018","7.422","0.002","90","","116.45","0.04","90","","374.6","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.088","0.0687","","","0.0798","0.0851","","","","2.38","2.38","2.14","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231407","6.68","0.003","7.097","0.003","13.944","0.005","90","","89.98","0.03","90","","661.1","0.5","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1947","0.135","","","0.1583","0.1706","","","","4.3","4.3","3.46","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231408","6.443","0.003","8.496","0.002","7.372","0.005","90","","115.64","0.08","90","","363.8","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.1206","0.0964","","","0.1167","0.1235","","","","3.65","3.65","3.2","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231409","6.47","0.002","8.0553","0.0008","7.263","0.002","90","","116.33","0.04","90","","339.26","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1163","0.0896","","","0.101","0.1075","","","","2.55","2.55","2.12","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231410","6.607","0.003","8.0559","0.001","7.27","0.002","90","","116.96","0.05","90","","344.9","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1079","0.0916","","","0.1136","0.1165","","","","3.57","3.57","3.2","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231411","6.426","0.003","8.0477","0.001","7.255","0.003","90","","116.12","0.05","90","","336.9","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.105","0.0853","","","0.0945","0.0997","","","","2.69","2.69","2.35","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231412","6.537","0.002","8.4865","0.0016","7.405","0.003","90","","116.09","0.04","90","","368.9","0.2","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0876","0.0754","","","0.0923","0.095","","","","3.14","3.14","2.87","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231413","7.3163","0.00011","7.3163","0.00011","8.31849","0.00016","90","","90","","120","","385.619","0.011","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0354","0.0277","","","0.0629","0.077","","","","","","1.241","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231414","6.651","0.003","7.067","0.003","13.839","0.004","90","","89.96","0.03","90","","650.5","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Mn2 N2 O12 -","- C6 H6 Mn2 N2 O12 -","- C12 H12 Mn4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2059","0.1587","","","0.1768","0.1856","","","","4.69","4.69","3.76","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231415","7.1831","0.0002","7.1831","0.0002","8.0511","0.0002","90","","90","","120","","359.757","0.017","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0379","0.0315","","","0.061","0.0668","","","","","","1.253","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231416","7.3249","0.0003","7.3249","0.0003","8.3197","0.0004","90","","90","","120","","386.58","0.03","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0324","0.0262","","","0.0578","0.0659","","","","","","1.262","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231417","7.1272","0.0003","7.1272","0.0003","8.0615","0.0003","90","","90","","120","","354.64","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0631","0.0476","","","0.0871","0.0976","","","","","","1.123","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231418","7.24917","0.00009","7.24917","0.00009","8.04612","0.00012","90","","90","","120","","366.179","0.008","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0299","0.0249","","","0.0556","0.0628","","","","","","1.221","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231419","7.28439","0.00016","7.28439","0.00016","8.3359","0.0002","90","","90","","120","","383.062","0.015","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0355","0.026","","","0.057","0.0704","","","","","","1.254","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231420","7.2211","0.0002","7.2211","0.0002","8.049","0.0003","90","","90","","120","","363.48","0.02","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0333","0.0298","","","0.0587","0.0622","","","","","","1.27","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231421","7.3044","0.00013","7.3044","0.00013","8.31833","0.00018","90","","90","","120","","384.358","0.013","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0335","0.0262","","","0.0603","0.0723","","","","","","1.258","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231422","6.8121","0.0017","8.3238","0.0009","7.3916","0.0017","90","","117.39","0.03","90","","372.14","0.17","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Fe N O6 -","- C3 H3 Fe N O6 -","- C6 H6 Fe2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0925","0.0781","","","0.096","0.0989","","","","3.24","3.24","2.92","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231423","6.589","0.0012","7.004","0.002","13.771","0.006","90","","90","0.02","90","","635.5","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2025","0.1447","","","0.1689","0.1751","","","","4.78","4.78","3.59","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231424","7.2789","0.00018","7.2789","0.00018","8.0555","0.0002","90","","90","","120","","369.619","0.016","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0296","0.0249","","","0.0569","0.0625","","","","","","1.244","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231425","6.741","0.003","8.486","0.003","7.44","0.003","90","","116.87","0.05","90","","379.6","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 Mn N O6 -","- C3 H3 Mn N O6 -","- C6 H6 Mn2 N2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.0816","0.066","","","0.0759","0.0792","","","","2.58","2.58","2.36","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231426","7.29055","0.00013","7.29055","0.00013","8.32778","0.00017","90","","90","","120","","383.337","0.012","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Fe N O6 -","- C3 H7.0002 Fe N O6 -","- C6 H14.0004 Fe2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0335","0.026","","","0.0541","0.067","","","","","","1.203","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231427","7.15551","0.00017","7.15551","0.00017","8.05112","0.00017","90","","90","","120","","357","0.014","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0539","0.0395","","","0.0706","0.0858","","","","","","1.214","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231428","6.599","0.005","6.957","0.005","13.695","0.011","90","","90.19","0.07","90","","628.7","0.8","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41111","synchrotron","","0.2354","0.1408","","","0.1638","0.1765","","","","3.8","3.8","2.37","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231429","6.558","0.006","6.9977","0.0019","13.697","0.004","90","","90.05","0.05","90","","628.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H14 Fe2 N2 O12 -","- C6 H6 Fe2 N2 O12 -","- C12 H12 Fe4 N4 O24 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.29464","synchrotron","","0.1675","0.0883","","","0.2026","0.2461","","","","","","1.311","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231430","7.2974","0.0003","7.2974","0.0003","8.485","0.0005","90","","90","","120","","391.31","0.03","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 Mn N O6 -","- C3 H7.0002 Mn N O6 -","- C6 H14.0004 Mn2 N2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41111","synchrotron","","0.0615","0.0482","","","0.1111","0.1271","","","","","","1.144","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231431","7.28362","0.00013","7.28362","0.00013","8.04848","0.00018","90","","90","","120","","369.776","0.012","293","2","293","2","","","","","","","","5","P 63 2 2","P 6c 2c","182","","","","- C3 H7 N Ni O6 -","- C3 H7.0002 N Ni O6 -","- C6 H14.0004 N2 Ni2 O12 -","2","0.166667","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","","0.41128","synchrotron","","0.0366","0.0285","","","0.0588","0.0722","","","","","","1.21","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231432","6.373","0.005","8.036","0.002","7.247","0.005","90","","115.83","0.09","90","","334.1","0.4","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C3 H7 N Ni O6 -","- C3 H3 N Ni O6 -","- C6 H6 N2 Ni2 O12 -","2","1","","Collings, Ines E.; Manna, Rudra Sekhar; Tsirlin, Alexander A.; Bykov, Maxim; Bykova, Elena; Hanfland, Michael; Gegenwart, Philipp; van Smaalen, Sander; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Pressure dependence of spin canting in ammonium metal formate antiferromagnets.","Physical chemistry chemical physics : PCCP","2018","20","37","24465","24476","10.1039/c8cp03761b","","x-ray","0.41128","synchrotron","","0.1304","0.1037","","","0.1186","0.1251","","","","3.07","3.07","2.59","","","","has coordinates","230902","2020-10-21","18:00:00",""
"7231433","5.6186","0.0002","28.314","0.0012","9.5145","0.0004","90","","92.382","0.003","90","","1512.31","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 S -","- C17 H18 O4 S -","- C68 H72 O16 S4 -","4","1","","Elagawany, Mohamed; Hegazy, Lamees; Cao, Feng; Donlin, Maureen J.; Rath, Nigam; Tavis, John; Elgendy, Bahaa","Identification of 4-isopropyl‒thiotropolone as a novel anti-microbial: regioselective synthesis, NMR characterization, and biological evaluation","RSC Advances","2018","8","52","29967","","10.1039/C8RA06297H","","","0.71073","MoKα","","0.0584","0.0412","","","0.0966","0.1051","","","","","","1.039","","","","has coordinates,has disorder","210115","2020-10-21","18:00:00",""
"7231434","9.5307","0.0004","9.5307","0.0004","12.9688","0.0007","90","","90","","120","","1020.19","0.08","130","2","130","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H19 N0 O2 -","- C17 H19 O2 -","- C51 H57 O6 -","3","1","","Jiang, Qian; Zhang, Mingguang; Wang, Zhonglong; Song, Jie; Yang, Yiqin; Li, Wenchao; Gu, Wen; Xu, Xu; Xu, Haijun; Wang, Shifa","Nopinone-based aggregation-induced emission (AIE)-active difluoroboron β-diketonate complex: photophysical, electrochemical and electroluminescence properties","RSC Advances","2018","8","52","30055","","10.1039/C8RA05031G","","","0.71073","MoKα","","0.0886","0.0696","","","0.1416","0.1517","","","","","","1.03","","","","has coordinates","210127","2020-10-21","18:00:00",""
"7231435","10.8707","0.0006","12.3194","0.0007","13.1341","0.0008","87.958","0.005","74.654","0.005","70.533","0.005","1596.57","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 F3 N O5 -","- C34 H28 F3 N O5 -","- C68 H56 F6 N2 O10 -","2","1","","Dang, Xinxin; He, Yu; Liu, Yingtian; Chen, Xuehong; Li, Jun-Long; Zhou, Xian-Li; Jiang, Hezhong; Li, Jiahong","Rh(iii)-catalyzed synthesis of tetracyclic isoquinolinium salts via C‒H activation and [4+2] annulation of 1-phenyl-3,4-dihydroisoquinolines and alkynes in ethanol","RSC Advances","2018","8","52","30050","","10.1039/C8RA05443F","","","0.71073","MoKα","","0.0952","0.0619","","","0.187","0.2164","","","","","","1.119","","","","has coordinates,has disorder","210128","2020-10-21","18:00:00",""
"7231436","15.9161","0.0015","9.2678","0.0008","17.748","0.0016","90","","116.527","0.003","90","","2342.4","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C16 H20 Co0.75 Eu Fe0.25 N8 O7 -","- C64 H80 Co3 Eu4 Fe N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0171","0.015","","","0.0346","0.0351","","","","","","1.094","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231437","15.9157","0.0005","9.2572","0.0003","17.735","0.0006","90","","116.547","0.001","90","","2337.49","0.13","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co Eu N8 O7 -","- C16 H20 Co Eu N8 O7 -","- C64 H80 Co4 Eu4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0188","0.0168","","","0.0497","0.0503","","","","","","1.243","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231438","15.914","0.002","9.2658","0.0011","17.8","0.002","90","","116.489","0.005","90","","2349.2","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C16 H20 Co0.25 Eu Fe0.75 N8 O7 -","- C64 H80 Co Eu4 Fe3 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0226","0.0193","","","0.0454","0.0465","","","","","","1.07","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231439","15.869","0.004","9.274","0.003","17.72","0.007","90","","116.259","0.01","90","","2338.7","1.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C16 H20 Co0.97 Eu Fe0.03 N8 O7 -","- C64 H80 Co3.88 Eu4 Fe0.12 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.028","0.0271","","","0.0746","0.0751","","","","","","1.348","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231440","15.922","0.003","9.2557","0.0015","17.732","0.003","90","","116.446","0.006","90","","2339.7","0.7","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C16 H20 Co0.94 Eu Fe0.06 N8 O7 -","- C64 H80 Co3.76 Eu4 Fe0.24 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0197","0.0172","","","0.0421","0.043","","","","","","1.028","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231441","15.9088","0.001","9.2677","0.0006","17.7418","0.0016","90","","116.514","0.002","90","","2340.7","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C16 H20 Co0.85 Eu Fe0.15 N8 O7 -","- C64 H80 Co3.4 Eu4 Fe0.6 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0196","0.017","","","0.043","0.0438","","","","","","1.1","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231442","15.9155","0.0018","9.2628","0.0011","17.822","0.002","90","","116.366","0.003","90","","2354","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Eu Fe N8 O7 -","- C16 H20 Eu Fe N8 O7 -","- C64 H80 Eu4 Fe4 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0254","0.0181","","","0.0553","0.1044","","","","","","1.475","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231443","15.9056","0.0018","9.258","0.0011","17.746","0.002","90","","116.54","0.004","90","","2337.8","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C16 H20 Co0.88 Eu Fe0.12 N8 O7 -","- C64 H80 Co3.52 Eu4 Fe0.48 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0183","0.0157","","","0.0381","0.039","","","","","","1.013","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231444","15.9139","0.0007","9.2609","0.0004","17.7694","0.0008","90","","116.419","0.001","90","","2345.31","0.18","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C16 H20 Co0.5 Eu Fe0.5 N8 O7 -","- C64 H80 Co2 Eu4 Fe2 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0156","","","0.0372","0.0377","","","","","","1.117","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231445","15.907","0.003","9.268","0.002","17.718","0.004","90","","116.505","0.004","90","","2337.6","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C16 H20 Co0.91 Eu Fe0.09 N8 O7 -","- C64 H80 Co3.64 Eu4 Fe0.36 N32 O28 -","4","0.5","","Chorazy, Szymon; Zakrzewski, Jakub J.; Wang, Junhao; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Incorporation of hexacyanidoferrate(iii) ion in photoluminescent trimetallic Eu(3-pyridone)[Co1−xFex(CN)6] chains exhibiting tunable visible light absorption and emission properties","CrystEngComm","2018","20","38","5695","","10.1039/C8CE01020J","","x-ray","0.71073","MoKα","","0.0172","0.0155","","","0.0386","0.0394","","","","","","1.026","","","","has coordinates","229150","2020-10-21","18:00:00",""
"7231446","8.7461","0.0003","10.7477","0.0005","13.2654","0.0006","83.381","0.004","75.005","0.004","69.554","0.004","1128.19","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd N4 O4 S -","- C26 H16 Cd N4 O4 S -","- C52 H32 Cd2 N8 O8 S2 -","2","1","","Huang, Jia; Zhang, Jie; He, Runhua; Fu, Zhiyong","Structure of a Cd(ii) mixed-ligand coordination polymer: single crystalline conductance switch involving photoinduced electron transfer and photocoloration","CrystEngComm","2018","20","38","5663","","10.1039/C8CE01251B","","","0.71073","MoKα","","0.052","0.0486","","","0.1062","0.1079","","","","","","1.081","","","","has coordinates","229149","2020-10-21","18:00:00",""
"7231447","9.6565","0.0005","17.991","0.0009","5.8635","0.0003","90","","113.819","0.002","90","","931.9","0.08","223","2","223","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C19 H19 N4 O Si -","- C19 H19 N4 O Si -","- C38 H38 N8 O2 Si2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0837","0.0659","","","0.1423","0.1557","","","","","","1.063","","","","has coordinates,has disorder","230942","2020-10-21","18:00:00",""
"7231448","17.0182","0.0006","20.5047","0.0007","3.8678","0.0001","90","","90","","90","","1349.68","0.07","223","2","223","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H11 N4 O -","- C16 H11 N4 O -","- C64 H44 N16 O4 -","4","1","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","1.54178","CuKα","","0.0472","0.0401","","","0.0925","0.0974","","","","","","1.05","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231449","11.27","0.0008","16.9544","0.0011","3.7589","0.0002","90","","96.64","0.002","90","","713.42","0.08","104","2","104","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C18 H11 N4 O -","- C18 H11 N4 O -","- C36 H22 N8 O2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0315","0.0267","","","0.0572","0.0592","","","","","","1.116","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231450","5.9346","0.0002","16.9487","0.0006","10.0933","0.0004","90","","99.999","0.002","90","","999.8","0.06","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C21 H19 N4 O Si -","- C21 H19 N4 O Si -","- C42 H38 N8 O2 Si2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0476","0.0385","","","0.0885","0.093","","","","","","1.061","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231451","11.085","0.002","12.074","0.003","20.89","0.004","93.358","0.002","90.469","0.004","104.074","0.003","2706.6","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C120 H128 N16 O12 -","4","2","","Wu, Jieyun; Wang, Wen; Wang, Nan; He, Juan; Deng, Guowei; Li, Zhonghui; Zhang, Xiaoling; Xiao, Hongyan; Chen, Kaixin","Structure-property analysis of julolidine-based nonlinear optical chromophores for the optimization of microscopic and macroscopic nonlinearity.","Physical chemistry chemical physics : PCCP","2018","20","36","23606","23615","10.1039/c8cp04470h","","","0.71073","MoKα","","0.0722","0.0557","","","0.1326","0.1444","","","","","","1.002","","","","has coordinates,has disorder","230940","2020-10-21","18:00:00",""
"7231452","10.143","0.004","9.497","0.003","19.05","0.007","90","","99.453","0.011","90","","1810.1","1.1","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F2 N O -","- C21 H17 F2 N O -","- C84 H68 F8 N4 O4 -","4","1","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.1079","0.0615","","","0.1708","0.1998","","","","","","1.064","","","","has coordinates","210216","2020-10-21","18:00:00",""
"7231453","13.5024","0.0011","9.0647","0.0008","22.691","0.002","90","","97.115","0.002","90","","2755.9","0.4","304","2","304","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cl N O -","- C34 H28 Cl N O -","- C136 H112 Cl4 N4 O4 -","4","1","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0693","0.0439","","","0.1254","0.1448","","","","","","1.09","","","","has coordinates","210216","2020-10-21","18:00:00",""
"7231454","9.5843","0.0005","10.5582","0.0005","19.241","0.0009","77.833","0.001","83.469","0.001","66.8","0.001","1748.38","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","2","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0544","0.0351","","","0.0925","0.1003","","","","","","1.098","","","","has coordinates","210216","2020-10-21","18:00:00",""
"7231455","11.3526","0.0006","38.9014","0.0018","13.5468","0.0007","90","","114.621","0.002","90","","5438.8","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C252 H216 Br12 N12 O12 -","12","3","","Li, Yuting; Zhu, Yan; Tu, Guangliang; Zhang, Jingyu; Zhao, Yingsheng","Silver-catalyzed direct benzylation of acetanilide: a highly efficient approach to unsymmetrical triarylmethanes","RSC Advances","2018","8","53","30374","","10.1039/C8RA06780E","","","0.71073","MoKα","","0.0489","0.0357","","","0.077","0.0809","","","","","","1.021","","","","has coordinates","210216","2020-10-21","18:00:00",""
"7231456","15.055","0.0007","5.2838","0.0002","11.1874","0.0005","90","","111.335","0.003","90","","828.94","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0451","0.0277","","","0.0496","0.0523","","","","","","0.89","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231457","15.0878","0.0005","5.2804","0.0002","11.2408","0.0004","90","","111.346","0.002","90","","834.11","0.05","229","2","229","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0504","0.0295","","","0.0499","0.053","","","","","","0.869","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231458","15.1069","0.0005","5.2772","0.0002","11.2674","0.0004","90","","111.344","0.002","90","","836.65","0.05","249","2","249","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0498","0.0294","","","0.0584","0.0641","","","","","","1.024","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231459","15.0775","0.0009","5.2848","0.0003","11.2151","0.0007","90","","111.405","0.004","90","","832","0.09","209","2","209","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0462","0.0277","","","0.0493","0.052","","","","","","0.87","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231460","15.1283","0.0005","5.2745","0.0001","11.2948","0.0004","90","","111.348","0.002","90","","839.42","0.05","269","2","269","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Br2 F4 N2 -","- C18 H8 Br2 F4 N2 -","- C36 H16 Br4 F8 N4 -","2","0.5","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0534","0.0303","","","0.0596","0.0664","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231461","15.6409","0.0008","5.2384","0.0003","11.0229","0.0005","90","","90","","90","","903.14","0.08","191","2","191","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0328","0.0309","","","0.0748","0.0758","","","","","","1.085","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231462","15.6537","0.0005","5.2381","0.0002","11.0524","0.0003","90","","90","","90","","906.25","0.05","211","2","211","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0185","0.0166","","","0.0406","0.0415","","","","","","1.131","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231463","15.6966","0.0009","5.2398","0.0003","11.1314","0.0006","90","","90","","90","","915.52","0.09","276","2","276","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0208","0.0182","","","0.0448","0.0461","","","","","","1.115","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231464","3.9366","0.0003","13.2445","0.001","18.2177","0.0016","72.763","0.002","85.794","0.002","83.955","0.002","901.25","0.13","209","2","209","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0664","0.0527","","","0.1264","0.1303","","","","","","0.994","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231465","3.9272","0.0003","13.2313","0.0011","18.2212","0.0016","72.682","0.002","85.789","0.002","83.9","0.002","897.9","0.13","189","2","189","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0625","0.0507","","","0.1258","0.1298","","","","","","0.965","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231466","3.9684","0.0004","13.277","0.0014","18.217","0.002","73.014","0.003","85.807","0.003","84.125","0.003","912.19","0.17","269","2","269","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0516","0.032","","","0.0678","0.074","","","","","","1.02","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231467","3.9578","0.0003","13.2665","0.0011","18.2186","0.0018","72.926","0.003","85.798","0.003","84.065","0.002","908.6","0.14","249","2","249","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.047","0.0305","","","0.0662","0.0715","","","","","","1.006","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231468","15.686","0.0007","5.2395","0.0002","11.1083","0.0005","90","","90","","90","","912.96","0.07","256","2","256","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.02","0.0178","","","0.0422","0.0431","","","","","","1.12","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231469","15.6785","0.0006","5.2396","0.0002","11.086","0.0004","90","","90","","90","","910.7","0.06","231","2","231","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H8 F4 I2 N2 -","- C18 H8 F4 I2 N2 -","- C36 H16 F8 I4 N4 -","2","0.25","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0191","0.0174","","","0.0428","0.0435","","","","","","1.125","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231470","3.9472","0.0003","13.2528","0.001","18.2138","0.0015","72.838","0.002","85.776","0.002","83.982","0.002","904.43","0.12","229","2","229","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H10 Br4 N2 -","- C18 H10 Br4 N2 -","- C36 H20 Br8 N4 -","2","1","","Hutchins, Kristin M.; Unruh, Daniel K.; Carpenter, Dontrell D.; Groeneman, Ryan H.","Thermal expansion along one-dimensional chains and two-dimensional sheets within co-crystals based on halogen or hydrogen bonds","CrystEngComm","2018","20","45","7232","","10.1039/C8CE01090K","","","0.71073","MoKα","","0.0701","0.053","","","0.1277","0.1329","","","","","","0.966","","","","has coordinates","229133","2020-10-21","18:00:00",""
"7231471","5.6628","","5.3723","","10.9143","0.0001","90","","92.021","0.001","90","","331.831","0.003","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C12 H8 N4 O8 -","2","0.5","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0115","0.0107","","","0.0241","0.0244","","","","","","0.928","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231472","6.2062","0.00005","5.25334","0.00004","11.18373","0.00009","90","","105.503","0.0008","90","","351.359","0.005","90","2","90","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0063","0.0063","","","0.0139","0.0139","","","","","","0.989","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231473","4.544","0.0001","15.2652","0.0002","20.3342","0.0002","90","","90","","90","","1410.48","0.04","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O8 -","- C14 H14 N2 O8 -","- C56 H56 N8 O32 -","4","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0215","0.0181","","","0.03","0.0307","","","","","","1.036","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231474","6.2062","0.00005","5.25334","0.00004","11.18373","0.00009","90","","105.503","0.0008","90","","351.359","0.005","90","2","90","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C5 H7 B Cl N O2 -","- C5 H7 B Cl N O2 -","- C10 H14 B2 Cl2 N2 O4 -","2","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0136","0.0135","","","0.0457","0.0459","","","","","","0.45","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231475","5.66357","0.00003","5.37326","0.00003","10.91612","0.00007","90","","92.0201","0.0005","90","","331.991","0.003","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N2 O4 -","- C6 H4 N2 O4 -","- C12 H8 N4 O8 -","2","0.5","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0296","0.0288","","","0.1033","0.1041","","","","","","1.139","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231476","4.54306","0.00006","15.2647","0.0002","20.3244","0.0003","90","","90","","90","","1409.47","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O8 -","- C14 H14 N2 O8 -","- C56 H56 N8 O32 -","4","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0382","0.0308","","","0.0796","0.0827","","","","","","1.001","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231477","9.1398","0.0018","11.737","0.002","19.444","0.005","90","","117.68","0.02","90","","1847.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cl6 Cu N2 -","- C8 H22 Cl6 Cu N2 -","- C32 H88 Cl24 Cu4 N8 -","4","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.1806","0.0697","","","0.1338","0.1789","","","","","","1.026","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231478","6.3887","0.0013","8.7893","0.0018","9.6997","0.0019","66.57","0.03","82.91","0.03","79","0.03","489.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0236","0.0211","","","0.0502","0.0511","","","","","","1.083","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231479","6.411","0.0008","8.835","","9.7295","0.0002","66.616","0.013","82.87","0.02","79.14","0.02","496.02","0.08","343","2","343","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Cl4 Cu N -","- C4 H11 Cl4 Cu N -","- C8 H22 Cl8 Cu2 N2 -","2","1","","Mei, Ying-Xuan; Hua, Xiu-Ni; Gao, Ji-Xing; Liao, Wei-Qiang","Switchable dielectric phase transition behaviors in two organic‒inorganic copper(ii) halides with distinct coordination geometries","CrystEngComm","2018","20","40","6261","","10.1039/C8CE01263F","","","0.71073","MoKα","","0.0389","0.0291","","","0.0561","0.0587","","","","","","0.992","","","","has coordinates","229051","2020-10-21","18:00:00",""
"7231480","8.0685","0.0004","11.3449","0.0004","11.37","0.0005","66.307","0.004","75.977","0.004","72.054","0.004","898.25","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","- C30 H26 Cd3 Cl6 N2 O10 -","1","0.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0394","0.0321","","","0.0803","0.086","","","","","","1.052","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231481","8.0365","0.0004","9.909","0.0007","12.1201","0.0008","94.619","0.006","95.775","0.005","94.636","0.005","953.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C2.91 H2.36 Eu0.18 N0.55 O2.18 -","- C2.90909 H2.36364 Eu0.181818 N0.545455 O2.18182 -","- C32 H26 Eu2 N6 O24 -","11","5.5","","Li, Lin-Ke; Li, Hai-Yang; Li, Ting; Quan, Li-Hong; Xu, Jing; Li, Fu-An; Zang, Shuang-Quan","Photochromic and photomodulated luminescence properties of two metal‒viologen complexes constructed by a tetracarboxylate-anchored bipyridinium-based ligand","CrystEngComm","2018","20","41","6412","","10.1039/C8CE01335G","","","0.71073","MoKα","","0.0895","0.0689","","","0.1663","0.2144","","","","","","1.093","","","","has coordinates","228922","2020-10-21","18:00:00",""
"7231482","5.4376","0.0002","8.0683","0.0004","17.0332","0.0009","77.328","0.003","84.635","0.003","80.612","0.003","718.02","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O2 S2 -","- C32 H28 N4 O2 S2 -","- C32 H28 N4 O2 S2 -","1","0.5","","Dutta, Basudeb; Datta, Joydeep; Maity, Suvendu; Sinha, Chittaranjan; Sun, Di; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Electrical property and Schottky behavior of a flexible Schiff-base compound: X-ray structure and stabilization of 1D water chain.","Physical chemistry chemical physics : PCCP","2018","20","38","24744","24749","10.1039/c8cp04569k","","","0.71073","MoKα","","0.0902","0.0552","","","0.1411","0.1625","","","","","","1.044","","","","has coordinates","230946","2020-10-21","18:00:00",""
"7231483","9.1613","0.0018","11.267","0.002","13.686","0.003","103","0.03","108.72","0.03","103.56","0.03","1229.6","0.6","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.0828","0.047","","","0.124","0.1399","","","","","","0.959","","","","has coordinates","230904","2020-10-21","18:00:00",""
"7231484","18.1516","0.0015","10.532","0.001","28.615","0.002","90","","90","","90","","5470.4","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H32 O3 -","- C36 H32 O3 -","- C288 H256 O24 -","8","1","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.152","0.0598","","","0.1331","0.1757","","","","","","0.934","","","","has coordinates","230904","2020-10-21","18:00:00",""
"7231485","15.885","0.003","7.3696","0.0015","12.251","0.003","90","","109.78","0.03","90","","1349.6","0.6","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 O2 -","- C36 H30 O2 -","- C72 H60 O4 -","2","0.5","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.0629","0.0482","","","0.1199","0.1277","","","","","","1.08","","","","has coordinates","230904","2020-10-21","18:00:00",""
"7231486","9.024","0.0007","8.3079","0.0006","17.6624","0.0013","90","","90.015","0.002","90","","1324.16","0.17","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 -","- C36 H30 -","- C72 H60 -","2","0.5","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.0748","0.0508","","","0.1276","0.1466","","","","","","1.043","","","","has coordinates","230904","2020-10-21","18:00:00",""
"7231487","28.335","0.012","5.014","0.002","19.7","0.009","90","","125.34","0.02","90","","2283.1","1.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 O2 -","- C34 H20 O2 -","- C136 H80 O8 -","4","0.5","","Yu, Binhong; Liu, Danyang; Wang, Yi; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Zhang, Sean Xiao-An","Strong and insusceptible photo-emissions from an intramolecular weak hydrogen bond strengthened twisted fluorophore.","Physical chemistry chemical physics : PCCP","2018","20","37","23851","23855","10.1039/c8cp04242j","","","0.71073","MoKα","","0.1408","0.0828","","","0.2307","0.2842","","","","","","0.991","","","","has coordinates,has disorder","230904","2020-10-21","18:00:00",""
"7231488","18.1126","0.0009","18.1126","0.0009","46.624","0.004","90","","90","","120","","13246.5","1.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H12 Co N O6.5 -","- C14 H9 Co N O5 -","- C504 H324 Co36 N36 O180 -","36","1","","He, Yuan-Chun; Yu, Yang; Wang, Lingyan; Yang, Jiaqin; Kan, Wei-Qiu; Yang, Yan; Fan, Yao-Yao; Jing, Zhihong; You, Jinmao","A novel metal‒organic framework based on hexanuclear Co(ii) clusters as an anode material for lithium-ion batteries","CrystEngComm","2018","20","37","5576","","10.1039/C8CE01039K","","","0.71073","MoKα","","0.0945","0.0661","","","0.1577","0.1737","","","","","","1.045","","","","has coordinates,has disorder","228907","2020-10-21","18:00:00",""
"7231489","7.838","0.002","10.632","0.003","10.783","0.003","114.411","0.004","94.739","0.005","104.111","0.005","776.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","- C28 H18 Co3 N2 O17 -","1","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0794","0.0637","","","0.1998","0.2501","","","","","","1.129","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231490","21.331","0.005","7.9294","0.0019","26.114","0.006","90","","90","","90","","4417","1.8","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H15 Cd N3 O7 -","- C24 H15 Cd N3 O7 -","- C192 H120 Cd8 N24 O56 -","8","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1114","0.0495","","","0.086","0.106","","","","","","0.985","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231491","7.5476","0.0013","11.701","0.002","14.477","0.003","109.368","0.003","100.819","0.003","102.451","0.003","1130.2","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N3 O9 -","- C24 H18 Co N3 O9 -","- C48 H36 Co2 N6 O18 -","2","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0922","0.069","","","0.195","0.2775","","","","","","1.166","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231492","13.39","0.008","9.643","0.006","15.34","0.01","90","","99.263","0.012","90","","1955","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cu N2 O8 -","- C19 H16 Cu N2 O8 -","- C76 H64 Cu4 N8 O32 -","4","1","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.1472","0.0681","","","0.1546","0.2017","","","","","","0.973","","","","has coordinates","229151","2020-10-21","18:00:00",""
"7231493","31.709","0.009","7.843","0.002","21.873","0.006","90","","131.327","0.004","90","","4084.9","1.9","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd3 N4 O16 -","- C38 H30 Cd3 N4 O16 -","- C152 H120 Cd12 N16 O64 -","4","0.5","","Bai, Nannan; Gao, Ruicheng; Wang, Haihua; Wu, Yunlong; Hou, Lei; Wang, Yao-Yu","Five transition metal coordination polymers driven by a semirigid trifunctional nicotinic acid ligand: selective adsorption and magnetic properties","CrystEngComm","2018","20","38","5726","","10.1039/C8CE01003J","","","0.71073","MoKα","","0.0391","0.0318","","","0.079","0.0837","","","","","","1.051","","","","has coordinates,has disorder","229151","2020-10-21","18:00:00",""
"7231494","16.4048","0.0013","6.0674","0.0005","8.349","0.0007","90","","91.077","0.007","90","","830.87","0.12","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.096","0.0969","","","","","","1.044","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231495","9.396","0.002","37.076","0.008","9.9611","0.0016","90","","90","","90","","3470.1","1.2","295","2","295","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","0.71073","MoKα","","0.2045","0.0876","","","0.1727","0.2136","","","","","","0.982","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231496","15.4733","0.0004","9.949","0.0002","15.8181","0.0006","90","","99.548","0.003","90","","2401.37","0.12","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Cu2 N2 O7 -","- C23 H30 Cu2 N2 O7 -","- C92 H120 Cu8 N8 O28 -","4","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","0.71073","MoKα","","0.0377","0.0299","","","0.0716","0.0761","","","","","","1.055","","","","has coordinates","210455","2020-10-21","18:00:00",""
"7231497","11.98914","0.00013","10.38861","0.00009","16.00151","0.00014","90","","110.579","0.0011","90","","1865.82","0.03","130","1","130","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu N2 O4 -","- C20 H23.991 Cu N2 O4 -","- C80 H95.964 Cu4 N8 O16 -","4","1","","Kaczmarek, Malgorzata T.; Skrobanska, Monika; Zabiszak, Michal; Wałęsa-Chorab, Monika; Kubicki, Maciej; Jastrzab, Renata","Coordination properties of N,N′-bis(5-methylsalicylidene)-2-hydroxy-1,3-propanediamine with d- and f-electron ions: crystal structure, stability in solution, spectroscopic and spectroelectrochemical studies","RSC Advances","2018","8","54","30994","","10.1039/C8RA03565B","","x-ray","1.54184","CuKα","","0.0423","0.0416","","","0.118","0.1186","","","","","","1.068","","","","has coordinates,has disorder","210455","2020-10-21","18:00:00",""
"7231498","11.7467","0.0003","9.7126","0.0002","12.6975","0.0003","90","","103.467","0.001","90","","1408.84","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H44 O8 -","- C31 H44 O8 -","- C62 H88 O16 -","2","1","","Li, Lei; Peng, Xing-Rong; Dong, Jin-Run; Lu, Shuang-Yang; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Rearranged lanostane-type triterpenoids with anti-hepatic fibrosis activities from Ganoderma applanatum","RSC Advances","2018","8","55","31287","","10.1039/C8RA05282D","","","1.54178","CuKα","","0.036","0.036","","","0.0977","0.0977","","","","","","1.061","","","","has coordinates","210479","2020-10-21","18:00:00",""
"7231499","5.1932","0.0008","5.1932","0.0008","11.426","0.004","90","","90","","90","","308.15","0.13","293","2","293","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- Gd2.28 Li1.16 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","- Gd2.288 Li1.144 Mo4 O16 -","1","","","Sun, Shijia; Qi, Wei; Chen, Weidong; Lou, Fei; Zhong, Degao; Hu, Chen; Zhang, Lizhen; Lin, Zhoubin; Teng, Bing","Li2Gd4(MoO4)7 crystal preparation and spectral properties applying to 2.0 μm lasers","CrystEngComm","2018","","","","","10.1039/C8CE01192C","","","0.71073","MoKα","","0.0452","0.0438","","","0.1433","0.1475","","","","","","1.172","","","","has coordinates","210546","2020-10-21","18:00:00",""
"7231500","9.884","0.005","10.055","0.005","21.401","0.01","93.574","0.008","91.624","0.008","112.313","0.008","1960.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","- C72 H80 Co3 N16 O23 S2 -","1","0.5","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0702","0.0487","","","0.1226","0.1317","","","","","","1.04","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231501","10.0679","0.0006","11.2018","0.0007","11.3853","0.0007","103.514","0.001","107.522","0.001","95.532","0.001","1171.13","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N4 Ni O7 -","- C23 H26 N4 Ni O7 -","- C46 H52 N8 Ni2 O14 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0825","0.0856","","","","","","1.039","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231502","8.1354","0.0017","16.294","0.003","16.793","0.003","108.688","0.004","90.416","0.004","94.18","0.004","2102","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 N8 Ni O10 S -","- C42 H44 N8 Ni O10 S -","- C84 H88 N16 Ni2 O20 S2 -","2","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0843","0.0527","","","0.1201","0.1374","","","","","","1.035","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231503","23.542","0.013","10.509","0.006","10.273","0.006","90","","104.604","0.008","90","","2459","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C23 H24 N4 Ni O9 -","- C23 H24 N4 Ni O9 -","- C92 H96 N16 Ni4 O36 -","4","1","","Lian, Zhaoxun; Zhao, Ning; Liu, Ping; An, Caixia; Wang, Airong; Yang, Fengxia","Crystal structures and investigation of the third-order nonlinear optical properties of four coordination polymers by using the Z-scan technique","CrystEngComm","2018","20","38","5833","","10.1039/C8CE01283K","","x-ray","0.71073","MoKα","","0.0474","0.037","","","0.0996","0.1092","","","","","","1.047","","","","has coordinates","229153","2020-10-21","18:00:00",""
"7231504","16.517","0.007","14.199","0.007","11.763","0.005","90","","117.976","0.008","90","","2436.3","1.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cd Cu2 N4 O10 -","- C46 H44 Cd Cu2 N4 O10 -","- C92 H88 Cd2 Cu4 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0834","0.0637","","","0.1557","0.1647","","","","","","1.115","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231505","33.368","0.01","11.339","0.004","22.334","0.007","90","","120.204","0.004","90","","7303","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cu4 Mn N8 O12 -","- C84 H84 Cu4 Mn N8 O12 -","- C336 H336 Cu16 Mn4 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0944","0.0499","","","0.1034","0.1239","","","","","","0.962","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231506","16.705","0.008","14.059","0.008","11.579","0.006","90","","117.522","0.009","90","","2412","2","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H44 Cu2 Mn N4 O10 -","- C46 H44 Cu2 Mn N4 O10 -","- C92 H88 Cu4 Mn2 N8 O20 -","2","0.25","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.1017","0.0841","","","0.2328","0.2425","","","","","","1.14","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231507","33.2826","0.0012","11.3712","0.0003","22.6379","0.0009","90","","120.453","0.003","90","","7385.7","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Cd Cu4 N8 O12 -","- C84 H84 Cd Cu4 N8 O12 -","- C336 H336 Cd4 Cu16 N32 O48 -","4","0.5","","Dutta, Sabarni; Jana, Subrata; Mahapatra, Prithwish; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Joining of trinuclear (CuL)2M (M = MnII and CdII) nodes by 1,3- and 1,4-benzenedicarboxylate linkers: positional isomeric effect on co-crystallization","CrystEngComm","2018","20","41","6490","","10.1039/C8CE01168K","","","0.71073","MoKα","","0.0308","0.0258","","","0.0957","0.1041","","","","","","0.907","","","","has coordinates","228920","2020-10-21","18:00:00",""
"7231508","7.566","0.0009","17.062","0.002","11.3231","0.0015","90","","99.531","0.004","90","","1441.5","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CaNDC_7","CaNDC","","- C56 H48 Ca4 O24 -","- C56 H48 Ca4 O24 -","- C56 H48 Ca4 O24 -","1","0.25","","Kojima, Daichi; Sanada, Tomoe; Wada, Noriyuki; Kojima, Kazuo","Synthesis, structure, and fluorescence properties of a calcium-based metal‒organic framework","RSC Advances","2018","8","55","31588","","10.1039/C8RA06043F","","","0.71073","MoKα","","0.0339","0.0304","","","0.1063","0.1109","","","","","","0.902","","","","has coordinates","210821","2020-10-21","18:00:00",""
"7231509","7.6565","0.0002","9.8198","0.0003","24.8755","0.0007","90","","90","","90","","1870.27","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Wang, Shuang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Feng, Tao; Liu, Ji-Kai","Polyellisin, a novel polyketide from cultures of the basidiomycete Polyporus ellisii","RSC Advances","2018","8","55","31538","","10.1039/C8RA06544F","","","1.54178","CuKα","","0.0313","0.0311","","","0.079","0.0792","","","","","","1.059","","","","has coordinates","210822","2020-10-21","18:00:00",""
"7231510","12.1515","0.001","13.1137","0.0011","16.5899","0.0014","98.339","0.001","105.425","0.001","104.474","0.001","2403.3","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H100 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","- C72 H48 N12 O38 Ru2 V4 -","1","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.0838","0.0752","","","0.2037","0.2151","","","","","","1.048","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231511","16.289","0.0017","16.476","0.0017","18.003","0.002","104.61","0.002","116.152","0.002","91.609","0.002","4142.5","0.8","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H48 Cl N12 O20 Ru2 V6 -","- C72 H48 Cl N12 O20 Ru2 V6 -","- C144 H96 Cl2 N24 O40 Ru4 V12 -","2","1","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1089","0.0926","","","0.2562","0.2771","","","","","","1.028","","","","has coordinates,has disorder","229052","2020-10-21","18:00:00",""
"7231512","26.468","0.004","15.103","0.002","23.374","0.003","90","","108.164","0.003","90","","8878","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H78 N12 O43 Ru2 V10 -","- C72 H48 N12 O43 Ru2 V10 -","- C288 H192 N48 O172 Ru8 V40 -","4","0.5","","Wang, Ke; Xu, Qiaofei; Ma, Pengtao; Zhang, Chao; Wang, Jingping; Niu, Jingyang","Polyoxovanadate catalysts for oxidation of 1-phenyl ethanol: from the discrete [V4O12]4− and [V10O28]6− anions to the anionic [V6O17]n4n− coordination polymer","CrystEngComm","2018","20","40","6273","","10.1039/C8CE01237G","","","0.71073","MoKα","","0.1342","0.0731","","","0.1721","0.2153","","","","","","1.025","","","","has coordinates","229052","2020-10-21","18:00:00",""
"7231513","8.902","0.0006","9.2715","0.0008","14.2635","0.0012","84.984","0.007","89.142","0.006","63.976","0.007","1053.47","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ BSAH","Albendazole benzene sulfonic acid hydrate","","- C18 H23 N3 O6 S2 -","- C18 H23 N3 O6 S2 -","- C36 H46 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1073","0.0639","","","0.1434","0.1709","","","","","","1.026","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231514","8.9","0.005","9.573","0.005","14.453","0.008","83.026","0.009","72.434","0.008","63.151","0.008","1047.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ABZ-PTSAH","Albendazole paratoulene sulfonic acid hydrate","","- C19 H25 N3 O6 S2 -","- C19 H25 N3 O6 S2 -","- C38 H50 N6 O12 S4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0734","0.0694","","","0.1889","0.1945","","","","","","1.046","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231515","15.2992","0.0017","9.742","0.0009","15.8825","0.0014","90","","115.573","0.012","90","","2135.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O5 S2 -","- C19 H23 N3 O5 S2 -","- C76 H92 N12 O20 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1227","0.074","","","0.1883","0.2105","","","","","","1.106","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231516","8.5042","0.0007","9.4678","0.0007","26.084","0.002","96.005","0.006","93.966","0.007","102.377","0.007","2031","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","ABZ-BSA","Albendazole benzenesulfonic acid","","- C18 H21 N3 O5 S2 -","- C18 H21 N3 O5 S2 -","- C72 H84 N12 O20 S8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.1844","0.0844","","","0.2121","0.2723","","","","","","0.991","","","","has coordinates","228923","2020-10-21","18:00:00",""
"7231517","5.2659","0.0007","28.337","0.004","11.2029","0.0015","90","","93.925","0.002","90","","1667.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-OAH","Albendazole oxalic acid hydrate","","- C14 H15 N3 O7 S -","- C14 H15 N3 O7 S -","- C56 H60 N12 O28 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0657","0.064","","","0.1589","0.1598","","","","","","1.326","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231518","17.176","0.005","9.293","0.003","25.789","0.008","90","","105.95","0.005","90","","3958","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ABZ-26DHBA","Albendazole-26dihydroxy benzoic acid","","- C38 H26 N6 O12 S2 -","- C38 H26 N6 O12 S2 -","- C152 H104 N24 O48 S8 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Novel pharmaceutical salts of albendazole","CrystEngComm","2018","20","41","6394","","10.1039/C8CE01311J","","","0.71073","MoKα","","0.0986","0.0758","","","0.1946","0.2099","","","","","","1.095","","","","has coordinates,has disorder","228923","2020-10-21","18:00:00",""
"7231519","11.44","0.004","28.561","0.009","18.045","0.006","90","","107.39","0.014","90","","5626","3","240","2","240","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","'compound 1'","","- C63 H51 Cu F6 N7 O P3 -","- C63 H51 Cu F6 N7 O P3 -","- C252 H204 Cu4 F24 N28 O4 P12 -","4","1","","Zhang, Ying; Traber, Philipp; Zedler, Linda; Kupfer, Stephan; Gräfe, Stefanie; Schulz, Martin; Frey, Wolfgang; Karnahl, Michael; Dietzek, Benjamin","Cu(i) vs. Ru(ii) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system.","Physical chemistry chemical physics : PCCP","2018","20","38","24843","24857","10.1039/c8cp04595j","","","0.71073","MoKα","","0.1092","0.0508","","","0.0991","0.1108","","","","","","1.053","","","","has coordinates,has disorder","230947","2020-10-21","18:00:00",""
"7231520","12.3503","0.0018","21.56","0.003","23.198","0.004","102.835","0.013","94.635","0.012","95.324","0.012","5963.9","1.6","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","'compound 2'","","- C63.25 H55.5 Cl0.5 Cu F6 N4 O1.5 P3 -","- C63.25 H55.5 Cl0.5 Cu F6 N4 O1.5 P3 -","- C253 H222 Cl2 Cu4 F24 N16 O6 P12 -","4","2","","Zhang, Ying; Traber, Philipp; Zedler, Linda; Kupfer, Stephan; Gräfe, Stefanie; Schulz, Martin; Frey, Wolfgang; Karnahl, Michael; Dietzek, Benjamin","Cu(i) vs. Ru(ii) photosensitizers: elucidation of electron transfer processes within a series of structurally related complexes containing an extended π-system.","Physical chemistry chemical physics : PCCP","2018","20","38","24843","24857","10.1039/c8cp04595j","","","1.54178","CuKα","","0.1926","0.0916","","","0.1957","0.2269","","","","","","1.05","","","","has coordinates,has disorder","230947","2020-10-21","18:00:00",""
"7231521","7.2684","0.0003","11.2015","0.0005","11.2573","0.0005","65.725","0.001","73.534","0.001","72.674","0.001","783.82","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H15 Ba O13 P3 -","- C6 H15 Ba O13 P3 -","- C12 H30 Ba2 O26 P6 -","2","1","","Athanasopoulos, Evangelos D.; Armakola, Eirini; Koutsoukos, Petros G.; Demadis, Konstantinos D.","Nucleation and crystal growth of barium sulfate: inhibition in the presence of rigid and flexible triphosphonate additives","CrystEngComm","2018","20","41","6589","","10.1039/C8CE01116H","","","0.71073","MoKα","","0.021","0.0199","","","0.0513","0.0517","","","","","","1.08","","","","has coordinates","228917","2020-10-21","18:00:00",""
"7231522","10.8415","0.0002","13.7771","0.0004","6.9369","0.0002","90","","102.685","0.001","90","","1010.84","0.05","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0803","0.0488","","","0.1247","0.1421","","","","","","1.062","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231523","11.526","0.0002","7.222","0.0002","26.949","0.0007","90","","90","","90","","2243.26","0.09","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H14 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0669","0.0384","","","0.1002","0.1173","","","","","","1.079","","","","has coordinates,has disorder","229053","2020-10-21","18:00:00",""
"7231524","12.217","0.0002","10.689","0.0002","18.218","0.0005","90","","90.039","0.001","90","","2379.04","0.09","90","0.2","90","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C104 H88 Cl8 N16 O16 -","8","1","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0442","0.0357","","","0.0885","0.0931","","","","","","1.07","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231525","13.818","0.0002","11.305","0.0002","13.56","0.0003","90","","107.686","0.0009","90","","2018.12","0.06","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C96 H80 N16 O16 -","8","2","","Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui","Zwitterion formation and subsequent carboxylate‒pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid","CrystEngComm","2018","20","40","6126","","10.1039/C8CE01255E","","","0.71073","MoKα","","0.0606","0.0415","","","0.1062","0.1162","","","","","","1.044","","","","has coordinates","229053","2020-10-21","18:00:00",""
"7231526","15.6345","0.0008","11.2144","0.0005","12.7553","0.0006","90","","90","","90","","2236.41","0.18","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H23 N3 O7 Zn -","- C20 H23 N3 O7 Zn -","- C80 H92 N12 O28 Zn4 -","4","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0262","0.0237","","","0.0636","0.0653","","","","","","1.032","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231527","37.298","0.006","13.1819","0.0019","19.249","0.005","90","","113.855","0.014","90","","8655","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H45 Co4 N12 O18 -","- C69 H45 Co4 N12 O18 -","- C276 H180 Co16 N48 O72 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0598","0.0458","","","0.1184","0.1233","","","","","","0.99","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231528","10.205","0.0003","14.3969","0.0004","16.594","0.0004","97.411","0.002","102.378","0.002","105.892","0.002","2244.14","0.11","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43 N9 O19 Zn2 -","- C39 H43 N9 O19 Zn2 -","- C78 H86 N18 O38 Zn4 -","2","1","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0463","0.0342","","","0.0844","0.0909","","","","","","1.038","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231529","19.9133","0.0004","12.3389","0.0004","14.9402","0.0003","90","","111.332","0.001","90","","3419.43","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 O17 Zn2 -","- C32 H30 N4 O17 Zn2 -","- C128 H120 N16 O68 Zn8 -","4","0.5","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0285","0.024","","","0.068","0.0703","","","","","","1.036","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231530","18.8612","0.0003","18.8612","0.0003","17.5446","0.0004","90","","90","","120","","5405.21","0.17","296","2","296.15","","","","","","","","","5","R -3","-R 3","148","","","","- C20 H14 Cu N4 O4 -","- C20 H14 Cu N4 O4 -","- C180 H126 Cu9 N36 O36 -","9","","","Behera, Jogendra Nath; Tiwari, Ranjay K.","Hybrid materials based on transition Metal-BTC-Benzimidazole: Solvent assisted crystallographic and structural switching","CrystEngComm","2018","","","","","10.1039/C8CE01299G","","","0.71073","MoKα","","0.0438","0.0394","","","0.1171","0.122","","","","","","1.095","","","","has coordinates","211033","2020-10-21","18:00:00",""
"7231531","13.658","0.003","13.839","0.003","8.1732","0.0016","90","","100.54","0.03","90","","1518.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N4 -","- C38 H34 N4 -","- C76 H68 N8 -","2","0.5","","Nikolaou, Vasilis; Plass, Fabian; Planchat, Aurélien; Charisiadis, Asterios; Charalambidis, Georgios; Angaridis, Panagiotis A.; Kahnt, Axel; Odobel, Fabrice; Coutsolelos, Athanassios G.","Effect of the triazole ring in zinc porphyrin-fullerene dyads on the charge transfer processes in NiO-based devices.","Physical chemistry chemical physics : PCCP","2018","20","37","24477","24489","10.1039/c8cp04060e","","","0.71073","MoKα","","0.0946","0.0571","","","0.1309","0.1372","","","","","","1.159","","","","has coordinates","230901","2020-10-21","18:00:00",""
"7231532","12.8523","0.0004","12.8523","0.0004","45.7558","0.0017","90","","90","","120","","6545.4","0.4","100","2","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","Sodium cerium iminodiacetato biphenyl dicarboxylate","Sodium cerium iminodiacetato biphenyl dicarboxylate","","- C54 H36 Ce3 N3 Na3 O28 -","- C54 H36 Ce3 N3 Na3 O28 -","- C162 H108 Ce9 N9 Na9 O84 -","3","0.166667","","Maity, Rahul; Chakraborty, Debanjan; Nandi, Shyamapada; Rinku, Kushwaha; Vaidhyanathan, Ramanathan","Microporous mixed-metal mixed-ligand metal organic framework for selective CO2 capture","CrystEngComm","2018","20","39","6088","","10.1039/C8CE00752G","","","1.54178","CuKα","","0.0359","0.0357","","","0.1199","0.12","","","","","","1.193","","","","has coordinates","228984","2020-10-21","18:00:00",""
"7231533","7.0572","0.0007","9.1203","0.0007","5.7992","0.0005","90","","105.878","0.004","90","","359.02","0.06","290","","290","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H6 Cu3 O8 -","- C2 H6 Cu3 O8 -","- C4 H12 Cu6 O16 -","2","0.5","","Fujita, Wataru","Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks","RSC Advances","2018","8","57","32490","","10.1039/C8RA07134A","","","0.71075","MoKα","","0.0436","0.0398","","","0.0962","0.0974","","","","","","1.069","","","","has coordinates","211081","2020-10-21","18:00:00",""
"7231534","3.2574","0.0012","5.9387","0.0014","7.246","0.003","90","","101.805","0.009","90","","137.21","0.08","130","","130","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C H2 Cu O3 -","- C H2 Cu O3 -","- C2 H4 Cu2 O6 -","2","0.5","","Fujita, Wataru","Crystal structures, and magnetic and thermal properties of basic copper formates with two-dimensional triangular-lattice magnetic networks","RSC Advances","2018","8","57","32490","","10.1039/C8RA07134A","","","0.71075","MoKα","","0.0319","0.0296","","","0.074","0.0755","","","","","","1.089","","","","has coordinates","211081","2020-10-21","18:00:00",""
"7231535","10.768","0.0005","12.2601","0.0006","13.3043","0.0006","97.054","0.002","101.999","0.002","98.839","0.002","1675.71","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cl2 N4 O6 -","- C38 H39 Cl2 N4 O6 -","- C76 H78 Cl4 N8 O12 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.044","0.0372","","","0.096","0.1006","","","","","","1.033","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231536","23.5127","0.0011","7.1104","0.0003","19.6874","0.0009","90","","108.636","0.002","90","","3118.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N4 O6 -","- C34 H34 Cl2 N4 O6 -","- C136 H136 Cl8 N16 O24 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule","CrystEngComm","2018","20","38","5667","","10.1039/C8CE01101J","","","1.54178","CuKα","","0.0335","0.0307","","","0.0867","0.089","","","","","","1.092","","","","has coordinates","229152","2020-10-21","18:00:00",""
"7231537","7.7589","0.0004","11.9715","0.0005","16.3035","0.0006","73.776","0.003","77.048","0.004","80.463","0.004","1408.44","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl2 F N4 O5 -","- C30 H29 Cl2 F N4 O5 -","- C60 H58 Cl4 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0994","0.0905","","","0.2509","0.2583","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231538","6.9178","0.0004","18.4663","0.001","20.0399","0.001","90","","92.316","0.005","90","","2557.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 F3 N3 O6 -","- C29 H25 F3 N3 O6 -","- C116 H100 F12 N12 O24 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","","","0.06","0.0522","","","0.1187","0.1222","","","","","","1.224","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231539","7.0624","0.0003","13.6301","0.0008","15.3041","0.0007","73.354","0.005","77.509","0.004","80.518","0.004","1369.7","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H33 F N4 O5 -","- C31 H33 F N4 O5 -","- C62 H66 F2 N8 O10 -","2","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0589","0.046","","","0.1102","0.1164","","","","","","1.11","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231540","18.5334","0.0007","6.7235","0.0003","25.4164","0.0012","90","","91.407","0.004","90","","3166.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl F N4 O8 -","- C35 H36 Cl F N4 O8 -","- C140 H144 Cl4 F4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Mondal, Amit; Soni, Saundray Raj; Das, Susobhan; Bhunia, Surojit; Bal Raju, K.; Ghosh, Animesh; Malla Reddy, C.","Multidrug salt forms of norfloxacin with non-steroidal anti-inflammatory drugs: solubility and membrane permeability studies","CrystEngComm","2018","20","41","6420","","10.1039/C8CE00900G","","x-ray","0.71073","MoKα","","0.0679","0.0503","","","0.152","0.1672","","","","","","1.077","","","","has coordinates","228916","2020-10-21","18:00:00",""
"7231541","10.49","0.003","11.48","0.003","11.803","0.003","71.177","0.005","80.96","0.005","69.147","0.004","1255.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H30 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","- C16 H10 Co3 Mo8 N16 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0761","0.0475","","","0.1185","0.1342","","","","","","1.002","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231542","10.63","0.0005","11.386","0.0005","11.491","0.0005","100.128","0.001","105.992","0.001","91.208","0.001","1312.58","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H40 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","- C16 H10 Co3 Mo6 N16 O38 Te -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.0341","0.0296","","","0.0918","0.0948","","","","","","1.036","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231543","10.653","0.0017","11.38","0.0018","12.165","0.002","93.925","0.004","114.034","0.003","96.044","0.003","1329.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","- C18 H12 Co3 Mo8 N14 O36 -","1","0.5","","Wang, Xiuli; Bai, Xue; Lin, Hongyan; Sun, Junjun; Liu, Guocheng; Wang, Xiang","Novel polyoxometalate-based cobalt complexes based on rigid pyridyl-triazole-tetrazole and pyridyl-bis(triazole) ligands","CrystEngComm","2018","20","41","6438","","10.1039/C8CE01158C","","","0.71069","MoKα","","0.1008","0.0605","","","0.157","0.1813","","","","","","1.015","","","","has coordinates","228919","2020-10-21","18:00:00",""
"7231544","6.2977","0.0002","7.4401","0.0002","18.2018","0.0006","90","","92.594","0.002","90","","851.98","0.05","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0317","0.0304","","","0.0795","0.0805","","","","","","1.073","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231545","6.4767","0.0004","6.7235","0.0005","20.8609","0.0014","90","","93.851","0.004","90","","906.36","0.11","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C42 H46 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0408","0.0386","","","0.0977","0.0995","","","","","","1.07","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231546","6.2884","0.0003","9.3902","0.0005","14.9711","0.0007","90","","98.263","0.002","90","","874.86","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","1.54178","CuKα","","0.0367","0.0359","","","0.0995","0.1005","","","","","","1.035","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231547","9.5492","0.0009","9.6708","0.0009","19.5238","0.0018","90","","90","","90","","1803","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","0.71073","MoKα","","0.0398","0.0348","","","0.0783","0.0815","","","","","","1.079","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231548","20.667","0.004","8.681","0.0017","9.051","0.0018","90","","91.06","0.03","90","","1623.6","0.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N10TM","","- C14 H29 N O4 -","- C14 H29 N O4 -","- C56 H116 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0919","0.0547","","","0.1561","0.1734","","","","","","1.005","","","","has coordinates","211107","2020-10-21","18:00:00",""
"7231549","23.076","0.005","8.676","0.0017","9.051","0.0018","90","","91.41","0.03","90","","1811.5","0.6","284","2","284","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N12TM","","- C16 H33 N O4 -","- C16 H33 N O4 -","- C64 H132 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0907","0.0688","","","0.2175","0.2292","","","","","","1.078","","","","has coordinates","211107","2020-10-21","18:00:00",""
"7231550","25.529","0.005","8.668","0.0017","9.046","0.0018","90","","93.26","0.03","90","","1998.5","0.7","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N14TM","","- C18 H37 N O4 -","- C18 H37 N O4 -","- C72 H148 N4 O16 -","4","1","","Megarajan, Sengan; Subramaniyan, Siva Bala; Muthuswamy, Sureshan; Anthony, Savarimuthu Philip; Arunachalam, Jothi; Moon, Dohyun; Veerappan, Anbazhagan","Synthesis, supramolecular organization and thermotropic phase behaviour of N-acyltris(hydroxymethyl)aminomethane","RSC Advances","2018","8","57","32823","","10.1039/C8RA06479B","","","0.61","synchrotron","","0.0594","0.0492","","","0.1508","0.1604","","","","","","1.08","","","","has coordinates","211107","2020-10-21","18:00:00",""
"7231551","13.045","0.0004","13.045","0.0004","40.2669","0.0012","90","","90","","90","","6852.3","0.4","198","2","198","2","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C84 H80 O8 -","- C84 H80 O8 -","- C336 H320 O32 -","4","","","Muravev, Anton A.; Solovieva, Svetlana E.; Galieva, Farida B.; Bazanova, Olga B.; Rizvanov, Ildar Kh.; Ivshin, Kamil A.; Kataeva, Olga N.; Matthews, Susan E.; Antipin, Igor S.","Calixarene alpha-ketoacetylenes: versatile platforms for reaction with hydrazine nucleophile","RSC Advances","2018","8","57","32765","","10.1039/C8RA06349D","","","1.54178","CuKα","","0.0479","0.0462","","","0.1272","0.1288","","","","","","1.05","","","","has coordinates","211108","2020-10-21","18:00:00",""
"7231552","18.8799","0.0006","15.041","0.0003","18.7314","0.0005","90","","117.376","0.004","90","","4723.5","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H35 N O8 Os3 P2 S -","- C51 H35 N O8 Os3 P2 S -","- C204 H140 N4 O32 Os12 P8 S4 -","4","1","","Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li; Hardcastle, K. I.; Rosenberg, Edward; Kabir, Shariff E.","Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS)","RSC Advances","2018","8","57","32672","","10.1039/C8RA07400C","","x-ray","0.71073","MoKα","","0.0288","0.0242","","","0.0561","0.0592","","","","","","1.071","","","","has coordinates","211109","2020-10-21","18:00:00",""
"7231553","11.0561","0.0002","16.0438","0.0003","21.7248","0.0005","100.946","0.0019","92.7106","0.0019","90.9327","0.0017","3777.99","0.13","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C69 H42 Cl2 N2 O19 Os6 P2 S2 -","- C69 H42 Cl2 N2 O19 Os6 P2 S2 -","- C138 H84 Cl4 N4 O38 Os12 P4 S4 -","2","1","","Begum, Shahin A.; Chowdhury, Md. Arshad H.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Yang, Li; Hardcastle, K. I.; Rosenberg, Edward; Kabir, Shariff E.","Experimental and computational preference for phosphine regioselectivity and stereoselective tripodal rotation in HOs3(CO)8(PPh3)2(μ-1,2-N,C-η1,κ1-C7H4NS)","RSC Advances","2018","8","57","32672","","10.1039/C8RA07400C","","x-ray","0.71073","MoKα","","0.0285","0.0234","","","0.0541","0.0569","","","","","","1.076","","","","has coordinates","211109","2020-10-21","18:00:00",""
"7231554","9.3306","0.0003","12.1953","0.0006","13.9463","0.0007","106.882","0.004","96.827","0.003","110.51","0.004","1378.53","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H20 N3 O8 Zn -","- C34 H20 N3 O8 Zn -","- C68 H40 N6 O16 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.053","0.039","","","0.0807","0.0881","","","","","","1.033","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231555","9.9165","0.0006","11.2086","0.0008","15.7088","0.0013","69.766","0.007","83.974","0.006","65.283","0.006","1486.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O11 Zn -","- C31 H19 N3 O11 Zn -","- C62 H38 N6 O22 Zn2 -","2","1","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.0979","0.0778","","","0.1932","0.2043","","","","","","1.149","","","","has coordinates,has disorder","228967","2020-10-21","18:00:00",""
"7231556","22.9944","0.0014","9.5069","0.0006","14.6854","0.001","90","","93.394","0.002","90","","3204.7","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H48 N6 O17 Zn2 -","- C80 H48 N6 O17 Zn2 -","- C160 H96 N12 O34 Zn4 -","2","0.5","","Tsai, Meng-Jung; Li, Chih-Yu; Wu, Jing-Yun","Luminescent Zn(ii) coordination polymers as efficient fluorescent sensors for highly sensitive detection of explosive nitroaromatics","CrystEngComm","2018","20","42","6762","","10.1039/C8CE01371C","","","0.71073","MoKα","","0.1564","0.1435","","","0.3024","0.3086","","","","","","1.173","","","","has coordinates","228967","2020-10-21","18:00:00",""
"7231557","20.873","0.0007","20.873","0.0007","14.2157","0.0004","90","","90","","90","","6193.5","0.3","300","2","300","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0464","0.0458","","","0.1141","0.1144","","","","","","1.142","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231558","20.8811","0.0009","20.8811","0.0009","14.219","0.0004","90","","90","","90","","6199.8","0.4","295","2","295","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0456","0.0445","","","0.1094","0.1099","","","","","","1.087","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231559","13.7697","0.0005","26.2046","0.0009","31.9937","0.0012","90","","90","","90","","11544.3","0.7","90","2","90","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0486","0.0453","","","0.0693","0.0702","","","","","","1.417","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231560","20.7954","0.0007","20.7954","0.0007","14.1103","0.0005","90","","90","","90","","6102","0.4","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0218","0.0217","","","0.0526","0.0526","","","","","","1.062","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231561","13.9379","0.0003","26.6853","0.0005","31.5931","0.0006","90","","90","","90","","11750.6","0.4","296","2","296","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C48 H32 Cl8 Mn2 N16 Nb -","- C48 H32 Cl8 Mn2 N16 Nb -","- C384 H256 Cl64 Mn16 N128 Nb8 -","8","","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0648","0.0589","","","0.1058","0.108","","","","","","1.368","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231562","20.792","0.002","20.792","0.002","14.1122","0.0007","90","","90","","90","","6100.8","0.9","90","2","90","2","","","","","","","","6","I 41","I 4bw","80","","","","- C48 H32 I8 Mn2 N16 Nb -","- C48 H32 I8 Mn2 N16 Nb -","- C192 H128 I32 Mn8 N64 Nb4 -","4","0.5","","Ohno, Takuro; Nakabayashi, Koji; Imoto, Kenta; Komine, Masaya; Chorazy, Szymon; Ohkoshi, Shin-ichi","Chiral cyanido-bridged Mn‒Nb magnets including halogen-bonds","CrystEngComm","2018","","","","","10.1039/C8CE01353E","","","0.71073","MoKα","","0.0271","0.027","","","0.0651","0.0652","","","","","","1.09","","","","has coordinates","211146","2020-10-21","18:00:00",""
"7231563","11.765","0.002","6.848","0.0014","15.417","0.003","90","","100.72","0.03","90","","1220.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","1","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0307","0.0307","","","0.0879","0.0879","","","","","","1.104","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231564","18.579","0.004","31.71","0.006","40.968","0.008","90","","92.51","0.03","90","","24113","8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 N2 Ni O2 -","- C34 H40 N2 Ni O2 -","- C1088 H1280 N64 Ni32 O64 -","32","16","","Ganadu, Maria Luisa; Demitri, Nicola; Zangrando, Ennio","Conformation-directing chiral groups in bis(naphthaldiminato)nickel(ii) complexes: a rare example with 16 crystallographically independent units (Z′)","CrystEngComm","2018","20","40","6122","","10.1039/C8CE01089G","","","0.7","synchrotron","","0.0343","0.0307","","","0.0804","0.0828","","","","","","1.034","","","","has coordinates","229054","2020-10-21","18:00:00",""
"7231565","11.693","0.002","39.642","0.008","9.7135","0.0018","90","","111.005","0.007","90","","4203.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl6 Mn2 N4 O14 -","- C34 H24 Cl6 Mn2 N4 O14 -","- C136 H96 Cl24 Mn8 N16 O56 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0691","0.0516","","","0.1273","0.1377","","","","","","1.038","","","","has coordinates,has disorder","228921","2020-10-21","18:00:00",""
"7231566","18.6545","0.0012","14.0357","0.0008","15.6154","0.001","90","","90","","90","","4088.6","0.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H26 Cl4 Mn2 N7 O13 -","- C36 H26 Cl4 Mn2 N7 O13 -","- C144 H104 Cl16 Mn8 N28 O52 -","4","1","","Pagès, J. M.; Escriche-Tur, L.; Font-Bardia, M.; Aullón, G.; Corbella, M.","Indirect effect of hydrogen bonds on the magnetic coupling on Mn(iii) dinuclear compounds","CrystEngComm","2018","20","41","6629","","10.1039/C8CE01194J","","","0.71073","MoKα","","0.0753","0.07","","","0.1856","0.1907","","","","","","1.084","","","","has coordinates","228921","2020-10-21","18:00:00",""
"7231567","16.249","0.0004","10.264","0.0003","9.9035","0.0003","90","","96.976","0.002","90","","1639.48","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C48 H104 Cl8 N8 O16 Pd4 -","4","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0309","0.0263","","","0.05","0.0532","","","","","","1.062","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231568","7.4645","0.00019","7.6682","0.0002","16.3035","0.0005","90","","100.063","0.003","90","","918.84","0.04","100.29","0.1","100.29","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Cl2 N2 O4 Pb -","- C12 H26 Cl2 N2 O4 Pb -","- C24 H52 Cl4 N4 O8 Pb2 -","2","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0405","0.0262","","","0.0418","0.047","","","","","","1.01","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231569","6.5577","0.0003","7.8482","0.0003","7.8785","0.0003","83.909","0.003","81.02","0.003","87.767","0.003","398.14","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","- C12 H26 Cl2 N2 O4 Pd -","1","0.5","","Arenaza-Corona, Antonino; Morales-Morales, David; Hernández-Ahuactzi, Iran F.; Barba, Victor","Structural and conformational changes in [M(1,10-diaza-18-crown-6)Cl2] (M = Pd, Pb) complexes: a crystallographic and theoretical study","CrystEngComm","2018","20","42","6733","","10.1039/C8CE01478G","","x-ray","0.71073","MoKα","","0.0264","0.0242","","","0.0498","0.0508","","","","","","1.08","","","","has coordinates","228965","2020-10-21","18:00:00",""
"7231570","9.0814","0.0007","9.3267","0.0007","9.8315","0.0007","83.997","0.003","65.41","0.002","63.057","0.002","671.38","0.09","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Sm -","- C10 H12 O11 Sm -","- C20 H24 O22 Sm2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0221","0.0176","","","0.0348","0.0359","","","","","","1.063","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231571","8.2905","0.0003","18.7105","0.0007","7.797","0.0003","90","","105.969","0.0015","90","","1162.8","0.08","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Dy O8.7 -","- C9 H9.4 Dy O8.7 -","- C36 H37.6 Dy4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0227","0.0188","","","0.0427","0.0441","","","","","","1.049","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231572","8.3156","0.0004","18.7115","0.0007","7.8028","0.0004","90","","106.171","0.002","90","","1166.06","0.09","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Tb -","- C9 H9.4 O8.7 Tb -","- C36 H37.6 O34.8 Tb4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.052","0.0311","","","0.0526","0.0568","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231573","14.0391","0.0004","6.7782","0.0002","21.9289","0.0005","90","","90","","90","","2086.75","0.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Tb -","- C10 H5 O6 Tb -","- C80 H40 O48 Tb8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0309","0.0214","","","0.0345","0.0363","","","","","","1.093","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231574","8.3815","0.0003","18.8425","0.0006","7.8522","0.0002","90","","106.311","0.0011","90","","1190.18","0.06","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 O8.7 Sm -","- C9 H9.4 O8.7 Sm -","- C36 H37.6 O34.8 Sm4 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0388","0.0253","","","0.0461","0.0494","","","","","","1.057","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231575","9.0276","0.0002","12.5114","0.0003","10.4264","0.0002","90","","103.238","0.001","90","","1146.35","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Sm2 -","- C16 H20 O18 Sm2 -","- C32 H40 O36 Sm4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0247","0.0202","","","0.036","0.0368","","","","","","1.053","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231576","9.1538","0.0004","9.315","0.0004","9.7631","0.0005","84.232","0.0017","65.533","0.0015","62.711","0.0016","669.27","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 O11 Tb -","- C10 H12 O11 Tb -","- C20 H24 O22 Tb2 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0504","0.035","","","0.051","0.0542","","","","","","1.097","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231577","8.9118","0.0002","12.3451","0.0003","10.34","0.0002","90","","103.048","0.0009","90","","1108.21","0.04","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Er2 O18 -","- C16 H20 Er2 O18 -","- C32 H40 Er4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0257","0.0209","","","0.0318","0.0326","","","","","","1.005","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231578","14.0967","0.0008","6.8258","0.0003","22.0196","0.0013","90","","90","","90","","2118.8","0.2","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Eu O6 -","- C10 H5 Eu O6 -","- C80 H40 Eu8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0499","0.0259","","","0.0572","0.0845","","","","","","1.149","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231579","9.0081","0.0003","12.4849","0.0004","10.4062","0.0003","90","","103.211","0.001","90","","1139.36","0.06","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 Eu2 O18 -","- C16 H20 Eu2 O18 -","- C32 H40 Eu4 O36 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0191","0.0164","","","0.0282","0.0286","","","","","","1.058","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231580","8.9635","0.0003","12.4252","0.0004","10.3811","0.0004","90","","103.123","0.0011","90","","1125.99","0.07","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 O18 Tb2 -","- C16 H20 O18 Tb2 -","- C32 H40 O36 Tb4 -","2","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.038","0.0281","","","0.0484","0.0508","","","","","","1.023","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231581","14.1351","0.0006","6.8443","0.0003","22.0442","0.001","90","","90","","90","","2132.66","0.16","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 O6 Sm -","- C10 H5 O6 Sm -","- C80 H40 O48 Sm8 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0577","0.0412","","","0.0972","0.1039","","","","","","1.199","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231582","13.9332","0.0016","6.7258","0.0008","21.795","0.002","90","","90","","90","","2042.5","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H5 Er O6 -","- C10 H5 Er O6 -","- C80 H40 Er8 O48 -","8","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0303","0.0232","","","0.0486","0.0504","","","","","","1.104","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231583","8.3194","0.0007","18.7938","0.0015","7.8274","0.0006","90","","106.066","0.002","90","","1176.04","0.16","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9.4 Gd O8.7 -","- C9 H9.4 Gd O8.7 -","- C36 H37.6 Gd4 O34.8 -","4","1","","Chainok, Kittipong; Ponjan, Nutcha; Theppitak, Chatphorn; Khemthong, Phailyn; Kielar, Filip; Dungkaew, Winya; Zhou, Yan; Batten, Stuart R.","Temperature-dependent 3D structures of lanthanide coordination polymers based on dicarboxylate mixed ligands","CrystEngComm","2018","20","46","7446","","10.1039/C8CE01430B","","x-ray","0.71073","MoKα","","0.0219","0.0186","","","0.0385","0.0395","","","","","","1.111","","","","has coordinates","229025","2020-10-21","18:00:00",""
"7231584","11.5518","0.0004","6.0963","0.0002","16.7209","0.0008","90","","99.075","0.004","90","","1162.8","0.08","298","","298","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Li4 O4 Si -","- Li4 O4 Si -","- Li56 O56 Si14 -","14","3.5","","Grasso, M. L.; Blanco, M. V.; Cova, F.; González, J A; Arneodo Larochette, P.; Gennari, F. C.","Evaluation of the formation and carbon dioxide capture by Li<sub>4</sub>SiO<sub>4</sub> using in situ synchrotron powder X-ray diffraction studies.","Physical chemistry chemical physics : PCCP","2018","20","41","26570","26579","10.1039/c8cp03611j","powder diffraction","","0.1771","synchrotron","","","","","","","","","5.6651","4.2","","","","","","","has coordinates","230906","2020-10-21","18:00:00",""
"7231585","12.576","0.002","33.286","0.001","14.585","0.002","90","","95.981","0.003","90","","6072.1","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57.65 H55.4 Cl3.8 N3 O13.75 -","- C57.65 H55.4 Cl3.8 N3 O13.75 -","- C230.6 H221.6 Cl15.2 N12 O55 -","4","1","","Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Geremia, Silvano; Greco, Francesco; Millesi, Salvatrice; Pappalardo, Andrea; Spitaleri, Luca; Gulino, Antonino","Recognition and optical sensing of amines by a quartz-bound 7-chloro-4-quinolylazopillar[5]arene monolayer","RSC Advances","2018","8","58","33269","","10.1039/C8RA06792A","","","0.8","","","0.1096","0.1059","","","0.2726","0.2763","","","","","","1.043","","","","has coordinates,has disorder","211191","2020-10-21","18:00:00",""
"7231586","13.5715","0.0012","10.693","0.0009","21.9043","0.0016","90","","99.931","0.002","90","","3131.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 B N O4 -","- C38 H40 B N O4 -","- C152 H160 B4 N4 O16 -","4","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0846","0.047","","","0.0916","0.1057","","","","","","0.999","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231587","7.6544","0.0002","10.3806","0.0003","10.4938","0.0003","105.591","0.0013","102.958","0.0012","95.446","0.0013","771.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 Br N2 O3 -","- C14 H20 Br N O4 -","- C28 H40 Br2 N2 O8 -","2","1","","Chang, Wei-Jie; Su, Padi Yi-Syong; Lee, Kwang-Ming","Anion-controlled supramolecular crystal structures and ionic liquids from fatty acid-substituted ethyl-nicotinate ionic compounds","CrystEngComm","2018","20","45","7248","","10.1039/C8CE00785C","","","0.71073","MoKα","","0.0262","0.0225","","","0.0588","0.0864","","","","","","1.108","","","","has coordinates","229134","2020-10-21","18:00:00",""
"7231588","7.8199","0.0014","8.6152","0.0015","12.9","0.002","98.216","0.002","99.515","0.002","90.024","0.002","848.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethylene","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C42 H40 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0561","0.0421","","","0.1078","0.1162","","","","","","1.064","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231589","7.503","0.003","7.836","0.003","20.382","0.007","88.77","0.09","85.38","0.05","79.99","0.05","1176.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,3-Bis(4-pyridyl)propane","","- C28 H29 N3 O2 -","- C28 H29 N3 O2 -","- C56 H58 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0929","0.0523","","","0.1188","0.1398","","","","","","1.014","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231590","38.014","0.016","5.787","0.003","15.566","0.007","90","","93.646","0.006","90","","3417","3","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,2-Bis(4-pyridyl)ethane","","- C40 H40 N2 O6 -","- C40 H40 N2 O6 -","- C160 H160 N8 O24 -","4","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0583","0.0404","","","0.0865","0.0949","","","","","","1.017","","","","has coordinates,has disorder","228918","2020-10-21","18:00:00",""
"7231591","7.549","0.005","8.736","0.006","13.095","0.008","100.617","0.01","99.729","0.009","93.918","0.009","832.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 4,4'-azopyridine","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C40 H38 N6 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0641","0.0415","","","0.0958","0.1078","","","","","","1.036","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231592","35.567","0.008","5.7333","0.0015","33.199","0.008","90","","91.732","0.004","90","","6767","3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","co-crystal of naproxen and 1,3-Bis(4-pyridyl)propane","","- C41 H42 N2 O6 -","- C41 H42 N2 O6 -","- C328 H336 N16 O48 -","8","2","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.066","0.0447","","","0.0947","0.1038","","","","","","1.039","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231593","7.45","0.007","7.835","0.007","16.895","0.016","94.3","0.03","93.16","0.017","117.89","0.02","864.6","1.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","co-crystal of mefenamic acid and 1,2-Bis(4-pyridyl)ethane","","- C21 H21 N2 O2 -","- C21 H21 N2 O2 -","- C42 H42 N4 O4 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.0601","0.0423","","","0.1035","0.1143","","","","","","1.052","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231594","15.483","0.007","5.745","0.002","19.668","0.008","90","","110.025","0.008","90","","1643.7","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","co-crystal of naproxen and 4,4'-azopyridine","","- C38 H36 N4 O6 -","- C38 H36 N4 O6 -","- C76 H72 N8 O12 -","2","1","","Zheng, Qixuan; Rood, Samantha L.; Unruh, Daniel K.; Hutchins, Kristin M.","Co-crystallization of anti-inflammatory pharmaceutical contaminants and rare carboxylic acid‒pyridine supramolecular synthon breakdown","CrystEngComm","2018","20","41","6377","","10.1039/C8CE01492B","","","0.71073","MoKα","","0.05","0.0381","","","0.0866","0.0921","","","","","","1.048","","","","has coordinates","228918","2020-10-21","18:00:00",""
"7231595","6.9225","0.0006","7.7077","0.0006","31.93","0.003","90","","91.279","0.002","90","","1703.3","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl4 Cu N2 -","- C12 H20 Cl4 Cu N2 -","- C48 H80 Cl16 Cu4 N8 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.1004","0.0862","","","0.1818","0.1884","","","","","","1.259","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231596","21.2189","0.0018","8.7496","0.0008","7.2499","0.0007","90","","94.387","0.004","90","","1342.1","0.2","293","","298","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H18 Cl2 Cu N2 -","- C12 H18 Cl2 Cu N2 -","- C48 H72 Cl8 Cu4 N8 -","4","2","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.7107","MoKα","","0.0929","0.0913","","","0.2411","0.2424","","","","","","1.087","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231597","12.155","0.0008","13.1686","0.0009","20.007","0.0013","90","","93.363","0.002","90","","3196.9","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl4 Cu2 N5 -","- C26 H39 Cl4 Cu2 N5 -","- C104 H156 Cl16 Cu8 N20 -","4","1","","Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier","Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions","CrystEngComm","2018","20","42","6721","","10.1039/C8CE01287C","","","0.71076","MoKα","","0.0942","0.0684","","","0.1399","0.1521","","","","","","1.195","","","","has coordinates","228963","2020-10-21","18:00:00",""
"7231598","6.515","0.002","7.832","0.002","36.046","0.007","90","0.03","90","0.03","90","0.03","1839.3","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5aa","","","- C21 H18 F3 N O2 -","- C21 H18 F3 N O2 -","- C84 H72 F12 N4 O8 -","4","1","","Crotti, Simone; Belletti, Giada; Di Iorio, Nicola; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Bencivenni, Giorgio","Asymmetric vinylogous aldol addition of alkylidene oxindoles on trifluoromethyl-α,β-unsaturated ketones","RSC Advances","2018","8","58","33451","","10.1039/C8RA06615A","","","0.71073","MoKα","","0.0361","0.033","","","0.076","0.0774","","","","","","1.093","","","","has coordinates","211226","2020-10-21","18:00:00",""
"7231599","18.0496","0.001","8.027","0.0004","20.6646","0.0011","90","","102.221","0.001","90","","2926.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","1","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0433","0.0297","","","0.0654","0.0724","","","","","","1.017","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231600","23.835","0.005","10.0215","0.0019","12.362","0.002","90","","90","","90","","2952.8","1","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H20 Cd N4 O8 -","- C34 H20 Cd N4 O8 -","- C136 H80 Cd4 N16 O32 -","4","0.5","","Fu, Chen; Zhang, Guo-Shuai; Wang, Hai-Yu; Li, Li; Fu, Jia-Wei; Sun, Ya-Nan; Zhang, Hong","Different photochromic properties induced by lone pair‒π interactions with varying strengths in two stereocontrolled self-assembly isomeric coordination polymers","CrystEngComm","2018","20","42","6821","","10.1039/C8CE01367E","","","0.71073","MoKα","","0.0583","0.0478","","","0.1614","0.1777","","","","","","0.753","","","","has coordinates","228964","2020-10-21","18:00:00",""
"7231601","9.711","0.004","16.824","0.007","26.957","0.011","90","","96.816","0.007","90","","4373","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Co8 N10 O10 -","- C27.2 H16 Co0.8 N5.6 O5.6 -","- C136 H80 Co4 N28 O28 -","5","1.25","","Wang, Kuaibing; Wang, Xin; Zhang, Dan; Wang, Huijian; Wang, Zikai; Zhao, Minyan; Xi, Rui; Wu, Hua; Zheng, Mingbo","Interpenetrated nano-MOFs for ultrahigh-performance supercapacitors and excellent dye adsorption performance","CrystEngComm","2018","20","43","6940","","10.1039/C8CE01067F","","","0.71073","MoKα","","0.1735","0.1248","","","0.322","0.3633","","","","","","1.065","","","","has coordinates","228952","2020-10-21","18:00:00",""
"7231602","15.715","0.007","23.065","0.009","9.764","0.004","90","","108.308","0.007","90","","3360","2","296","2","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Co N2 O7.5 -","- C29 H30 Co N2 O7.5 -","- C116 H120 Co4 N8 O30 -","4","0.5","","Tan, Huiling; Chen, Qibin; Sheng, Yujie; Li, Xiaoxiao; Liu, Honglai","Guest-induced reversible crystal-to-amorphous-to-crystal transformation in a Co(ii)-based metal‒organic framework","CrystEngComm","2018","20","42","6828","","10.1039/C8CE01324A","","","0.71073","MoKα","","0.1297","0.0606","","","0.1532","0.1914","","","","","","0.884","","","","has coordinates","228966","2020-10-21","18:00:00",""
"7231603","11.0544","0.0015","13.3742","0.0018","14.3388","0.0019","84.204","0.002","84.669","0.002","72.812","0.002","2010.4","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H45 B Cl2 F4 Ir N3 P2 -","- C40 H45 B Cl2 F4 Ir N3 P2 -","- C80 H90 B2 Cl4 F8 Ir2 N6 P4 -","2","1","","Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.","A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin","Green Chemistry","2018","20","21","4875","","10.1039/C8GC02794C","","","0.71073","MoKα","","0.0618","0.0463","","","0.1093","0.1174","","","","","","1.058","","","","has coordinates,has disorder","230120","2020-10-21","18:00:00",""
"7231604","15.5008","0.0017","11.5673","0.0013","21.116","0.002","90","","97.583","0.001","90","","3753","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 B Cl2 F4 Ir N3 P2 -","- C38 H41 B Cl2 F4 Ir N3 P2 -","- C152 H164 B4 Cl8 F16 Ir4 N12 P8 -","4","1","","Iturmendi, Amaia; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Oro, Luis A.","A highly efficient Ir-catalyst for the solventless dehydrogenation of formic acid: the key role of an N-heterocyclic olefin","Green Chemistry","2018","20","21","4875","","10.1039/C8GC02794C","","","0.71073","MoKα","","0.102","0.0788","","","0.1478","0.1577","","","","","","1.194","","","","has coordinates","230120","2020-10-21","18:00:00",""
"7231605","7.906","0.001","10.5987","0.0014","16.01","0.002","90","","90","","90","","1341.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ethyl (S)-3-nitro-2-phenyl-2,5-dihydrothiophene-2-carboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Zhu, Xiao-Yu; Lv, Mei-Heng; Zhao, Ya-Nan; Lan, Li-Yan; Li, Wen-Ze; Xiao, Lin-Jiu","Organocatalytic sulfa-Michael/aldol cascade: constructing functionalized 2,5-dihydrothiophenes bearing a quaternary carbon stereocenter","RSC Advances","2018","8","59","34000","","10.1039/C8RA04325F","","","0.71073","MoKα","","0.0304","0.0282","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","211317","2020-10-21","18:00:00",""
"7231606","10.0073","0.0004","12.1668","0.0005","15.4066","0.0005","67.8","0.003","87.298","0.003","81.654","0.004","1718.35","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C88 H68 N4 O8 -","2","1","","Yu, Shuyan; Wu, Jingxin; Lan, Hongbing; Xu, Hanwen; Shi, Xiaofei; Zhu, Xuewen; Yin, Zhigang","Transition metal/Brønsted acid cooperative catalysis enabled facile synthesis of 8-hydroxyquinolines through one-pot reactions of ortho-aminophenol, aldehydes and alkynes","RSC Advances","2018","8","59","33968","","10.1039/C8RA07212D","","x-ray","1.54184","CuKα","","0.0488","0.0405","","","0.11","0.119","","","","","","1.021","","","","has coordinates","211318","2020-10-21","18:00:00",""
"7231607","14.7396","0.0011","12.3042","0.0009","19.6197","0.0012","90","","90","","90","","3558.2","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C184 H136 N8 O24 -","8","1","","Yu, Shuyan; Wu, Jingxin; Lan, Hongbing; Xu, Hanwen; Shi, Xiaofei; Zhu, Xuewen; Yin, Zhigang","Transition metal/Brønsted acid cooperative catalysis enabled facile synthesis of 8-hydroxyquinolines through one-pot reactions of ortho-aminophenol, aldehydes and alkynes","RSC Advances","2018","8","59","33968","","10.1039/C8RA07212D","","","0.71073","MoKα","","0.0747","0.0512","","","0.1325","0.1506","","","","","","1.0422","","","","has coordinates","211318","2020-10-21","18:00:00",""
"7231608","8.6631","0.0005","9.5398","0.0005","13.2336","0.0007","99.341","0.002","97.979","0.002","111.362","0.002","981.45","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-phenyl(4,4,4-trifluoro-2-iodo-3-(iodomethyl)-1-phenylbut-1-en-1-yl)sulfane","","- C18 H15 F3 I2 S -","- C18 H15 F3 I2 S -","- C36 H30 F6 I4 S2 -","2","1","","Cheng, Huayu; Zhou, Xiaofan; Hu, Anjing; Ding, Shiteng; Wang, Yimo; Xiao, Yuanjing; Zhang, Junliang","Thioether-functionalized trifluoromethyl-alkynes, 1,3-dienes and allenes: divergent synthesis from reaction of 2-trifluoromethyl-1,3-conjugated enynes with sulfur nucleophiles","RSC Advances","2018","8","59","34088","","10.1039/C8RA07834C","","","0.71073","MoKα","","0.0515","0.0473","","","0.1235","0.1267","","","","","","1.07","","","","has coordinates","211329","2020-10-21","18:00:00",""
"7231609","6.0932","0.0001","16.4042","0.0001","15.8151","0.0001","90","","100.394","0.001","90","","1554.84","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F3 N O2 S -","- C17 H12 F3 N O2 S -","- C68 H48 F12 N4 O8 S4 -","4","1","","Cheng, Huayu; Zhou, Xiaofan; Hu, Anjing; Ding, Shiteng; Wang, Yimo; Xiao, Yuanjing; Zhang, Junliang","Thioether-functionalized trifluoromethyl-alkynes, 1,3-dienes and allenes: divergent synthesis from reaction of 2-trifluoromethyl-1,3-conjugated enynes with sulfur nucleophiles","RSC Advances","2018","8","59","34088","","10.1039/C8RA07834C","","x-ray","1.54184","CuKα","","0.0394","0.0381","","","0.1035","0.1049","","","","","","1.056","","","","has coordinates","211329","2020-10-21","18:00:00",""
"7231610","10.378","0.002","27.244","0.005","17.662","0.005","90","","120.57","0.02","90","","4299.6","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H40 As4 Mn7 N14 S13 -","- C6 H20 As4 Mn7 N14 S13 -","- C24 H80 As16 Mn28 N56 S52 -","4","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0501","0.0406","","","0.0817","0.0925","","","","","","1.114","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231611","6.6881","0.0013","7.9869","0.0016","10.966","0.002","78.68","0.03","83.53","0.03","77.92","0.03","560.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Mn3 N8 S8 -","- As2 H24 Mn3 N8 S8 -","- As2 H24 Mn3 N8 S8 -","1","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.031","0.0291","","","0.069","0.0699","","","","","","1.042","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231612","11.798","0.002","8.3683","0.0017","12.313","0.003","90","","112.66","0.03","90","","1121.8","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As2 H24 Mn3 N12 S8 -","- As2 H24 Mn3 N12 S8 -","- As4 H48 Mn6 N24 S16 -","2","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0281","0.0259","","","0.0558","0.0567","","","","","","1.108","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231613","9.3253","0.0019","9.5222","0.0019","11.863","0.002","96.39","0.03","90.62","0.03","97.79","0.03","1036.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- As2 H24 Mn3 N12 S6 -","- As2 H24 Mn3 N12 S6 -","- As4 H48 Mn6 N24 S12 -","2","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0529","0.0376","","","0.0745","0.091","","","","","","1.037","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231614","7.7875","0.0016","8.0898","0.0016","10.072","0.002","74.27","0.03","70.54","0.03","74.43","0.03","564.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H26 As2 Mn3 N8 S6 -","- C6 H26 As2 Mn3 N8 S6 -","- C6 H26 As2 Mn3 N8 S6 -","1","0.5","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0546","0.0426","","","0.0946","0.1068","","","","","","1.049","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231615","7.5398","0.0015","12.847","0.003","26.646","0.005","90","","90","","90","","2581","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C H17 As Mn N7 S4 -","- C H17 As Mn N7 S4 -","- C8 H136 As8 Mn8 N56 S32 -","8","1","","Han, Jingyu; Li, Shufen; Tang, Chunying; Zheng, Wei; Jiang, Wenqing; Jia, Dingxian","Hydrazine-solvothermal methods to synthesize polymeric thioarsenates from one-dimensional chains to a three-dimensional framework","RSC Advances","2018","8","59","34078","","10.1039/C8RA06335D","","","0.71073","MoKα","","0.0598","0.0422","","","0.091","0.1016","","","","","","1.116","","","","has coordinates","211330","2020-10-21","18:00:00",""
"7231616","18.5209","0.0003","18.5209","0.0003","39.0171","0.0009","90","","90","","120","","11590.7","0.4","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C28 H16 Cu2 N2 O10 -","- C28 H12 Cu2 N2 O10 -","- C252 H108 Cu18 N18 O90 -","9","0.25","","Li, Saidan; Wu, Jing; Gao, Xiaoxia; He, Minghui; Wang, Yao; Wang, Xia; He, Yabing","A NbO-type MOF based on an aromatic-rich and N-functionalized diisophthalate ligand for high-performance acetylene storage and purification","CrystEngComm","2018","20","44","7178","","10.1039/C8CE01585F","","","1.54178","CuKα","","0.0613","0.048","","","0.1413","0.1522","","","","","","1.015","","","","has coordinates","228902","2020-10-21","18:00:00",""
"7231617","12.1817","0.0007","6.0879","0.0003","15.7708","0.0008","90","","102.615","0.005","90","","1141.34","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Br N O -","- C11 H16 Br N O -","- C44 H64 Br4 N4 O4 -","4","1","","Xiao, Zhen; Li, Juanjuan; Yue, Qiang; Zhang, Qian; Li, Dong","An efficient and atom-economical route to N-aryl amino alcohols from primary amines","RSC Advances","2018","8","60","34304","","10.1039/C8RA07355D","","x-ray","1.54184","CuKα","","0.0438","0.0359","","","0.0982","0.1059","","","","","","1.077","","","","has coordinates","211339","2020-10-21","18:00:00",""
"7231618","9.1507","0.0005","9.0836","0.0005","13.3668","0.0007","90","","93.2446","0.0016","90","","1109.28","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1, Togni reagent I","","","- C10 H10 F3 I O -","- C10 H10 F3 I O -","- C40 H40 F12 I4 O4 -","4","1","","Wang, R.; Kalf, I.; Englert, U.","Insight into trifluoromethylation ‒ experimental electron density for Togni reagent I","RSC Advances","2018","8","60","34287","","10.1039/C8RA07187J","","","0.71073","MoKα","","0.0271","0.0221","","","0.0534","0.0552","","","","","","1.084","","","","has coordinates","211340","2020-10-21","18:00:00",""
"7231619","9.1507","0.0005","9.0836","0.0005","13.3668","0.0007","90","","93.2446","0.0016","90","","1109.28","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 1, Togni reagent I","","","- C10 H10 F3 I O -","- C10 H10 F3 I O -","- C40 H40 F12 I4 O4 -","4","1","","Wang, R.; Kalf, I.; Englert, U.","Insight into trifluoromethylation ‒ experimental electron density for Togni reagent I","RSC Advances","2018","8","60","34287","","10.1039/C8RA07187J","","","0.71073","MoKα","","0.034","0.019","","","","0.05","","","","","","1.056","","","","has coordinates","211340","2020-10-21","18:00:00",""
"7231620","9.2639","0.0003","10.182","0.0004","14.3848","0.0005","102.884","0.0019","99.249","0.002","112.004","0.0019","1180.7","0.08","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","1.54187","CuKα","","0.0912","0.0567","","","0.1206","0.141","","","","","","1.024","","","","has coordinates,has disorder","211341","2020-10-21","18:00:00",""
"7231621","9.2358","0.0007","10.1367","0.0009","14.2857","0.0013","102.73","0.003","99.234","0.003","111.955","0.002","1165.54","0.18","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","0.71075","MoKα","","0.0701","0.0362","","","0.0893","0.1134","","","","","","1.092","","","","has coordinates,has disorder","211341","2020-10-21","18:00:00",""
"7231622","9.2215","0.001","10.1283","0.001","14.3122","0.0016","102.715","0.006","99.297","0.008","111.851","0.006","1165.7","0.2","223","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C64 H48 O4 -","2","1","","Taniguchi, Takuya; Kubota, Ayumi; Moritoki, Tatsuya; Asahi, Toru; Koshima, Hideko","Two-step photomechanical motion of a dibenzobarrelene crystal","RSC Advances","2018","8","60","34314","","10.1039/C8RA06639F","","","1.54187","CuKα","","0.0934","0.0575","","","0.1234","0.158","","","","","","1.107","","","","has coordinates,has disorder","211341","2020-10-21","18:00:00",""
"7231623","13.6619","0.0006","13.1449","0.0006","29.4958","0.001","90","","98.109","0.0015","90","","5244","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","S138","","","- C44 H44 Br4 Co3 N6 O9 S2 -","- C44 H44 Br4 Co3 N6 O9 S2 -","- C176 H176 Br16 Co12 N24 O36 S8 -","4","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0378","0.0298","","","0.0608","0.0631","","","","","","1.151","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231624","12.1333","0.0006","12.4014","0.0006","16.1899","0.0008","102.673","0.002","100.042","0.002","100.232","0.002","2280.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","S139","","","- C36 H48 Br3 Co2 N15 O3 -","- C36 H48 Br3 Co2 N15 O3 -","- C72 H96 Br6 Co4 N30 O6 -","2","1","","Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","σ-Hole halogen bonding interactions in a mixed valence cobalt(iii/ii) complex and anti-electrostatic hydrogen bonding interaction in a cobalt(iii) complex: a theoretical insight","CrystEngComm","2018","20","45","7281","","10.1039/C8CE01323C","","","0.71073","MoKα","","0.0324","0.0244","","","0.048","0.0502","","","","","","1.05","","","","has coordinates","229136","2020-10-21","18:00:00",""
"7231625","15.5696","0.0006","19.6736","0.0007","9.4182","0.0003","90","","95.241","0.003","90","","2872.83","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Wael_111Hw_02_0817","","","- C35 H25 Cl N4 O3 -","- C35 H25 Cl N4 O3 -","- C140 H100 Cl4 N16 O12 -","4","1","","Al-Matar, Hamad M.; Dawood, Kamal M.; Tohamy, Wael M.","Tandem one-pot synthesis of 2-arylcinnolin-6-one derivatives from arylhydrazonopropanals and acetoacetanilides using sustainable ultrasound and microwave platforms","RSC Advances","2018","8","60","34459","","10.1039/C8RA06494F","","","1.54178","CuKα","","0.08","0.0547","","","0.1338","0.152","","","","","","1.041","","","","has coordinates","211362","2020-10-21","18:00:00",""
"7231626","20.8441","0.001","16.0569","0.0008","23.1343","0.0011","90","","114.16","0.0011","90","","7064.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Cl4 Mn7 N21 O26 -","- C42 H64 Cl4 Mn7 N21 O26 -","- C168 H256 Cl16 Mn28 N84 O104 -","4","0.5","","Yang, En-Che; Huang, Han-Sheng; Huang, Shao-Yun; Huang, Shi-Yi; Chang, Yu-Ying; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn; Chang, Chung-Kai","A one dimensional coordination polymer composed of antiferromagnetically coupled disk-like [Mn7] units","CrystEngComm","2018","20","43","6963","","10.1039/C8CE01374H","","","0.71073","MoKα","","0.0664","0.0527","","","0.1438","0.1529","","","","","","1.038","","","","has coordinates,has disorder","228951","2020-10-21","18:00:00",""
"7231627","10.226","0.0007","10.6156","0.0008","11.7663","0.0008","69.018","0.007","85.368","0.006","85.951","0.006","1187.51","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl0.75 N O3 -","- C30 H22 Cl0.757 N O3 -","- C60 H44 Cl1.514 N2 O6 -","2","1","","Novikova, Daria S.; Grigoreva, Tatyana A.; Zolotarev, Andrey A.; Garabadzhiu, Alexander V.; Tribulovich, Vyacheslav G.","Advanced palladium free approach to the synthesis of substituted alkene oxindoles via aluminum-promoted Knoevenagel reaction","RSC Advances","2018","8","60","34543","","10.1039/C8RA07576J","","","0.71073","MoKα","","0.0553","0.047","","","0.1133","0.1196","","","","","","1.019","","","","has coordinates","211386","2020-10-21","18:00:00",""
"7231628","17.837","0.004","17.886","0.005","23.754","0.006","90","","90","","90","","7578","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Cu6 Mo5 N18 O23 -","- C12 H20 Cu6 Mo5 N18 O23 -","- C96 H160 Cu48 Mo40 N144 O184 -","8","1","","He, Danfeng; Liu, Shumei; Zhou, Fujiang; Zhao, Xianjun; Liu, Yiwei; Luo, Fang; Liu, Shuxia","Recognition of trace organic pollutant and toxic metal ions via a tailored fluorescent metal‒organic coordination polymer in water environment","RSC Advances","2018","8","60","34712","","10.1039/C8RA05502E","","","0.71073","MoKα","","0.1258","0.0815","","","0.1413","0.1602","","","","","","1.057","","","","has coordinates","211387","2020-10-21","18:00:00",""
"7231629","11.698","0.0013","13.2","0.0015","13.564","0.0015","64.143","0.002","83.737","0.002","67.919","0.002","1742.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 N5 O6 Sr -","- C42 H24 N5 O6 Sr -","- C84 H48 N10 O12 Sr2 -","2","1","","He, Danfeng; Liu, Shumei; Zhou, Fujiang; Zhao, Xianjun; Liu, Yiwei; Luo, Fang; Liu, Shuxia","Recognition of trace organic pollutant and toxic metal ions via a tailored fluorescent metal‒organic coordination polymer in water environment","RSC Advances","2018","8","60","34712","","10.1039/C8RA05502E","","","0.71069","MoKα","","0.0809","0.0658","","","0.2007","0.2164","","","","","","1.105","","","","has coordinates","211387","2020-10-21","18:00:00",""
"7231630","23.1181","0.0018","8.8477","0.0008","18.8039","0.0012","90","","90","","90","","3846.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C8 H6.33 Eu O10.33 S -","- C8 H6.3332 Eu O10.3333 S -","- C64 H50.6656 Eu8 O82.6664 S8 -","8","0.5","","Yuan, Yue-Ying; Yang, Shuai-Liang; Zhang, Chen-Xi; Wang, Qing-Lun","A new europium metal‒organic framework with both high proton conductivity and highly sensitive detection of ascorbic acid","CrystEngComm","2018","20","43","6989","","10.1039/C8CE01506F","","","0.71073","MoKα","","0.0784","0.0639","","","0.2033","0.2194","","","","","","1.099","","","","has coordinates","228953","2020-10-21","18:00:00",""
"7231631","8.7892","0.0003","7.4533","0.0002","16.4801","0.0004","90","","90","","90","","1079.59","0.05","175","","175","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- H4 Na2 O13 Si4 Sn -","- H4 Na2 O13 Si4 Sn -","- H16 Na8 O52 Si16 Sn4 -","4","0.5","","Clavier, D.; Hermet, P.; Van der Lee, A.; Haines, J.; Cambon, O.","Prediction of piezoelectric properties by first principles calculations and hydrothermal crystal growth of Si1−xSnxO2 α-quartz phase","CrystEngComm","2018","20","46","7479","","10.1039/C8CE01548A","","","0.71073","MoKα","","0.0735","0.0714","","0.0667","0.0653","0.0653","","","","","","0.8506","","","","has coordinates","229024","2020-10-21","18:00:00",""
"7231632","8.6659","0.0003","43.0938","0.001","22.4966","0.0006","90","","112.628","0.004","90","","7754.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Cu4 I10 N12 O2 -","- C60 H65 Cu4 I10 N12 O2 -","- C240 H260 Cu16 I40 N48 O8 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0844","0.0795","","","0.2294","0.2373","","","","","","1.07","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231633","20.7409","0.0005","17.1057","0.0003","11.6678","0.0002","90","","90","","90","","4139.59","0.14","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C39 H46 Ag N11 O2 S4 -","- C39 H46 Ag N11 O2 S4 -","- C156 H184 Ag4 N44 O8 S16 -","4","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0769","0.0682","","","0.1866","0.1931","","","","","","1.098","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231634","10.7081","0.0003","16.2105","0.0003","27.427","0.0008","90","","125.51","0.004","90","","3875.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Hg I5 N6 -","- C33 H39 Hg I5 N6 -","- C132 H156 Hg4 I20 N24 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0463","0.035","","","0.0764","0.0819","","","","","","1.041","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231635","10.0714","0.0005","17.5006","0.0005","10.6518","0.0006","90","","115.604","0.007","90","","1693.08","0.17","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H43 Br2 I N6 O2 -","- C33 H43 Br2 I N6 O2 -","- C66 H86 Br4 I2 N12 O4 -","2","0.5","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0846","0.0534","","","0.108","0.1223","","","","","","1.033","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231636","8.7246","0.0003","18.8111","0.0005","11.1783","0.0004","90","","111.852","0.005","90","","1702.76","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H39 I3 N6 O3 -","- C30 H39 I3 N6 O3 -","- C60 H78 I6 N12 O6 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0583","0.0426","","","0.0637","0.0713","","","","","","1","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231637","8.7292","0.0004","13.9897","0.0006","15.3377","0.0007","90.287","0.003","98.19","0.004","99.191","0.003","1829.38","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 I5 N6 Pb -","- C30 H33 I5 N6 Pb -","- C60 H66 I10 N12 Pb2 -","2","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.0627","0.0438","","","0.1017","0.1125","","","","","","1.026","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231638","16.6035","0.0005","14.3351","0.0003","17.8354","0.0003","90","","95.774","0.002","90","","4223.52","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H44 Cu I4 N7 O -","- C39 H42 Cu I4 N7 O -","- C156 H168 Cu4 I16 N28 O4 -","4","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.082","0.0501","","","0.1127","0.1306","","","","","","1.021","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231639","13.34926","0.00019","16.7927","0.0002","36.5631","0.0006","90","","90.0824","0.0013","90","","8196.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 I3 N7 -","- C39 H42 I3 N7 -","- C312 H336 I24 N56 -","8","2","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","0.71073","MoKα","","0.1067","0.0771","","","0.2348","0.2618","","","","","","1.042","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231640","11.3449","0.0003","20.7592","0.0006","17.6129","0.0006","90","","90","","90","","4148","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","- C120 H162 Mo20 N24 O81 -","1","0.125","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.0387","0.0348","","","0.0879","0.0926","","","","","","1.053","","","","has coordinates,has disorder","228901","2020-10-21","18:00:00",""
"7231641","15.9746","0.0002","35.124","0.0005","16.4115","0.0002","90","","90","","90","","9208.4","0.2","293","2","293","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C41 H46 Br4.5 Cu1.5 N8 -","- C41 H46 Br4.5 Cu1.5 N8 -","- C328 H368 Br36 Cu12 N64 -","8","1","","Wang, Fu-Rong; Li, Zi-Yan; Wei, Dong-Hui; Niu, Yun-Yin; Hou, Hong-Wei; Wu, Ben-Lai","The conformational behavior of multivalent tris(imidazolium)cyclophanes in the hybrids with metal (pseudo)halides or polyoxometalates","CrystEngComm","2018","20","44","7184","","10.1039/C8CE01372A","","x-ray","1.54184","CuKα","","0.1331","0.1272","","","0.3477","0.3506","","","","","","1.107","","","","has coordinates","228901","2020-10-21","18:00:00",""
"7231642","11.9515","0.0015","4.8375","0.0006","22.198","0.003","90","","103.424","0.002","90","","1248.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","N-(2-((2-mercaptoethyl)amino)ethyl)-1-methyl-1H-imidazole -2-carboxamido nickel(II)","","- C9 H16 N4 Ni O2 S -","- C9 H16 N4 Ni O2 S -","- C36 H64 N16 Ni4 O8 S4 -","4","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0472","0.0449","","","0.1148","0.1164","","","","","","1.083","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231643","9.1756","0.0019","10.59","0.002","9.4434","0.0019","90","","98.876","0.003","90","","906.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","Bis-(N-(2-aminoethyl)-1-methyl-1H-imidazole-2-carboxamido) nickel(II)","","- C14 H24 N8 Ni O3 -","- C14 H24 N8 Ni O3 -","- C28 H48 N16 Ni2 O6 -","2","0.5","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0222","0.0219","","","0.0567","0.0569","","","","","","1.008","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231644","6.8975","0.0018","9.13","0.002","12.645","0.003","92.821","0.004","92.276","0.004","104.339","0.004","769.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","1-methyl-N-(2-((4-oxopentan-2-ylidene)amino)ethyl)-1H-imidazole-2-carboxamido nickel(II)","","- C12 H22 N4 Ni O5 -","- C12 H22 N4 Ni O5 -","- C24 H44 N8 Ni2 O10 -","2","1","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0356","0.028","","","0.0579","0.0588","","","","","","1.052","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231645","9.2792","0.0006","13.6005","0.0008","21.724","0.0013","90","","95.37","0.001","90","","2729.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","1-methyl-(methyl-(3-(2-ethyl)imino)butanoate) -1H-imidazole-2-carboxamido nickel(II)","","- C12 H18 N4 Ni O4 -","- C12 H18 N4 Ni O4 -","- C96 H144 N32 Ni8 O32 -","8","2","","Saraei, Nina; Hietsoi, Oleksandr; Mullins, Christopher S.; Gupta, Alexander J.; Frye, Brian C.; Mashuta, Mark S.; Buchanan, Robert M.; Grapperhaus, Craig A.","Streams, cascades, and pools: various water cluster motifs in structurally similar Ni(ii) complexes","CrystEngComm","2018","20","44","7071","","10.1039/C8CE01153B","","","0.71073","MoKα","","0.0561","0.0364","","","0.0593","0.0628","","","","","","1.057","","","","has coordinates","228905","2020-10-21","18:00:00",""
"7231646","12.8048","0.0009","13.6116","0.0009","15.3227","0.0011","79.826","0.002","74.283","0.002","65.695","0.002","2336.5","0.3","296.15","","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","- C10 H22 Ce4 K4 N2 Na4 O98 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0342","0.0288","","","0.0828","0.0859","","","","","","1.035","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231647","13.209","0.0007","12.8421","0.0006","28.4056","0.0014","90","","98.754","0.003","90","","4762.3","0.4","100.01","","100.01","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C10 H13 Ce4 Cs2.5 Na7.5 O101 Si2 W18 -","- C20 H26 Ce8 Cs5 Na15 O202 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","","0.71073","MoKα","","0.0653","0.0637","","","0.1934","0.1963","","","","","","1.104","","","","has coordinates","290444","2024-03-12","09:55:31",""
"7231648","12.7662","0.0004","13.7583","0.0005","15.2105","0.0006","79.276","0.0019","75.0343","0.0017","65.2698","0.0015","2334.97","0.15","99.99","","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","- C12 H42 Ce4 N6 Na4 O94.7 Si2 W18 -","1","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0337","0.0262","","","0.0586","0.0612","","","","","","1.019","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7231649","18.741","0.0011","21.5447","0.0012","30.606","0.0016","70.021","0.003","86.051","0.003","66.33","0.003","10603.4","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce9 Cs3.25 Na7 O182.25 Si4 W36 -","- Ce18 Cs6.5 Na14 O364.5 Si8 W72 -","2","1","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.1097","0.0658","","","0.1511","0.1874","","","","","","1.08","","","","has coordinates,has disorder","228904","2020-10-21","18:00:00",""
"7231650","13.5499","0.0003","12.9776","0.0003","26.9266","0.0006","90","","98.2429","0.0013","90","","4686","0.18","100.02","","100.02","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C8 H10 Ce4 Na10 O106 Si2 W18 -","- C16 H20 Ce8 Na20 O212 Si4 W36 -","2","0.5","","Dufaye, Maxime; Duval, Sylvain; Nursiah, Kelvinraj; Stoclet, Gregory; Trivelli, Xavier; Loiseau, Thierry","Bottom-up synthesis of functionalized {Ce4(SiW9O34)2(l)2} polyoxometalates","CrystEngComm","2018","20","44","7144","","10.1039/C8CE01447G","","x-ray","0.71073","MoKα","","0.0411","0.0291","","","0.0532","0.0561","","","","","","1.052","","","","has coordinates,has disorder","290444","2024-03-12","09:55:31",""
"7231651","8.318","0.0017","11.515","0.002","11.539","0.002","61.6","0.03","78.05","0.03","75.08","0.03","934.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 F3 N O3 -","- C20 H22 F3 N O3 -","- C40 H44 F6 N2 O6 -","2","1","","He, Yu-Tao; Kang, Dahye; Kim, Inwon; Hong, Sungwoo","Metal-free photocatalytic trifluoromethylative pyridylation of unactivated alkenes","Green Chemistry","2018","20","22","5209","","10.1039/C8GC02782J","","","0.7","synchrotron","","0.0686","0.0624","","","0.1866","0.1927","","","","","","1.125","","","","has coordinates","230086","2020-10-21","18:00:00",""
"7231652","9.7652","0.0011","14.8258","0.0018","10.1665","0.0012","90","","108.135","0.004","90","","1398.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cl N2 O -","- C13 H21 Cl N2 O -","- C52 H84 Cl4 N8 O4 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.1186","0.0586","","","0.1047","0.1242","","","","","","1.012","","","","has coordinates","211451","2020-10-21","18:00:00",""
"7231653","7.1115","0.0003","12.4689","0.0007","15.8457","0.0007","90","","93.346","0.002","90","","1402.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C56 H76 N12 S4 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.0828","0.0479","","","0.1037","0.1192","","","","","","0.95","","","","has coordinates","211451","2020-10-21","18:00:00",""
"7231654","9.8653","0.0003","16.7612","0.0005","18.1753","0.0005","90","","90","","90","","3005.36","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 B N2 -","- C37 H39 B N2 -","- C148 H156 B4 N8 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.0646","0.0445","","","0.0805","0.0865","","","","","","1.032","","","","has coordinates","211451","2020-10-21","18:00:00",""
"7231655","7.9835","0.0002","12.3524","0.0003","22.3908","0.0005","90","","96.078","0.002","90","","2195.67","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 O -","- C28 H22 N4 O -","- C112 H88 N16 O4 -","4","1","","Urvashi, Urvashi; Tandon, Vibha; Das, Parthasarathi; Kukreti, S.","Synthesis of 3,6-diaryl-1H-pyrazolo[3,4-b]pyridines via one-pot sequential Suzuki‒Miyaura coupling","RSC Advances","2018","8","61","34883","","10.1039/C8RA07104G","","","0.71073","MoKα","","0.0957","0.0776","","","0.3","0.3162","","","","","","1.273","","","","has coordinates","211452","2020-10-21","18:00:00",""
"7231656","9.9699","0.0008","11.2846","0.001","13.4112","0.0011","87.684","0.007","88.22","0.007","75.359","0.008","1458.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 F6 N3 -","- C15 H9 F6 N3 -","- C60 H36 F24 N12 -","4","2","","Urvashi, Urvashi; Tandon, Vibha; Das, Parthasarathi; Kukreti, S.","Synthesis of 3,6-diaryl-1H-pyrazolo[3,4-b]pyridines via one-pot sequential Suzuki‒Miyaura coupling","RSC Advances","2018","8","61","34883","","10.1039/C8RA07104G","","","0.71073","MoKα","","0.1665","0.1064","","","0.2881","0.3417","","","","","","1.064","","","","has coordinates","211452","2020-10-21","18:00:00",""
"7231657","8.8838","0.0018","13.895","0.003","20.744","0.004","90","","90","","90","","2560.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C116 H116 N12 O12 -","4","1","","Rainoldi, Giulia; Lesma, Giordano; Picozzi, Claudia; Lo Presti, Leonardo; Silvani, Alessandra","One step access to oxindole-based β-lactams through Ugi four-center three-component reaction","RSC Advances","2018","8","61","34903","","10.1039/C8RA08165D","","","0.71073","MoKα","","0.0885","0.0591","","","0.1708","0.1952","","","","","","1.017","","","","has coordinates","211453","2020-10-21","18:00:00",""
"7231658","20.236","0.003","11.8211","0.0016","16.322","0.002","90","","104.698","0.004","90","","3776.6","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Uranium formic acid","","","- C12 H18 O39 U6 -","- C12 H18 O39 U6 -","- C48 H72 O156 U24 -","4","0.5","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.053","0.0351","","","0.0652","0.0698","","","","","","1.07","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231659","11.5396","0.0005","11.7744","0.0008","16.2574","0.0008","77.994","0.003","77.951","0.002","60.742","0.002","1870.07","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Uranium formic acid","","","- C13 O38 U6 -","- C13 O38 U6 -","- C26 O76 U12 -","2","1","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.0816","0.0438","","","0.0901","0.1046","","","","","","0.901","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231660","20.458","0.003","15.473","0.003","15.918","0.002","90","","107.718","0.01","90","","4799.8","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Uranium formic acid pyridine","","","- C29 H33 N3 O36 U6 -","- C29 H33 N3 O36 U6 -","- C116 H132 N12 O144 U24 -","4","0.5","","Ling, Jie; Lu, Huangjie; Wang, Yaxing; Johnson, Kenndra; Wang, Shuao","One-dimensional chain structures of hexanuclear uranium(iv) clusters bridged by formate ligands","RSC Advances","2018","8","61","34947","","10.1039/C8RA06330C","","","0.71073","MoKα","","0.0548","0.0296","","","0.0585","0.0667","","","","","","0.951","","","","has coordinates","211454","2020-10-21","18:00:00",""
"7231661","6.2425","0.0002","12.502","0.0004","9.2298","0.0003","90","","106.81","0.003","90","","689.55","0.04","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc ammonium sulfate hexahydrate","","- H20 N2 O14 S2 Zn -","- H20 N2 O14 S2 Zn -","- H40 N4 O28 S4 Zn2 -","2","0.5","","Pérez-Benítez, Aarón; Bernès, Sylvain","Does the compound hexaaqua-zinc(ii)bis(hydrogensulfate)dihydrate, [Zn(H2O)6](HSO4·H2O)2, really exist?","RSC Advances","2018","8","61","34921","","10.1039/C8RA05162C","","x-ray","0.56083","AgKα","","0.0352","0.0242","","","0.0695","0.0736","","","","","","1.016","","","","has coordinates","211455","2020-10-21","18:00:00",""
"7231662","11.7255","0.0006","8.2616","0.0006","10.4236","0.0007","90","","90","","90","","1009.75","0.11","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H14 Cl N O5 -","- C7 H14 Cl N O5 -","- C28 H56 Cl4 N4 O20 -","4","0.5","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1009","0.0956","","","0.3086","0.3265","","","","","","1.11","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231663","6.4782","0.0008","6.4782","0.0008","6.4782","0.0008","90","","90","","90","","271.87","0.06","353","2","353","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H14 Cl N O5 -","- C9.6 Cl O3.9996 -","- C9.6 Cl O3.9996 -","1","0.0208333","","Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun","[C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature","CrystEngComm","2018","20","44","7058","","10.1039/C8CE01461B","","","0.71073","MoKα","","0.1864","0.1552","","","0.3544","0.3987","","","","","","1.258","","","","has coordinates","228903","2020-10-21","18:00:00",""
"7231664","21.635","0.006","22.749","0.006","36.225","0.01","72.345","0.006","81.085","0.007","65.911","0.006","15500","7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C232 H376 N16 O168 Ti32 -","- C202 H268 N16 O138 Ti32 -","- C404 H536 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.0764","0.06","","","0.164","0.1797","","","","","","1.025","","","","has coordinates","228906","2020-10-21","18:00:00",""
"7231665","21.009","0.01","23.513","0.015","44.73","0.02","81.041","0.012","79.236","0.006","66.339","0.011","19802","18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C319 H608 N16 O197 Ti32 -","- C202 H266 N16 O138 Ti32 -","- C404 H532 N32 O276 Ti64 -","2","1","","Wang, Xiangxiang; Gui, Daxiang; Zhai, Fuwan; Li, Hui; Wang, Xia; Wang, Yanlong; Chen, Lanhua; Zheng, Tao; Chai, Zhifang; Wang, Shuao","Single-crystal-to-single-crystal desolvation in a Ti32 nanoring cluster","CrystEngComm","2018","20","44","7062","","10.1039/C8CE00717A","","","0.71073","MoKα","","0.1187","0.0895","","","0.2524","0.2795","","","","","","1.048","","","","has coordinates,has disorder","228906","2020-10-21","18:00:00",""
"7231666","8.6319","0.0006","18.0068","0.0013","7.8624","0.0004","90","","99.001","0.006","90","","1207.03","0.14","291.5","0.3","291.5","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13.75 H12.5 N1.25 O1.25 S0.25 -","- C12 H11 O2 S2 -","- C48 H44 O8 S8 -","4","1","","Xing, Zhimin; Yang, Mingyang; Sun, Haiyu; Wang, Zemin; Chen, Peng; Liu, Lin; Wang, Xiaolei; Xie, Xingang; She, Xuegong","Visible-light promoted dithioacetalization of aldehydes with thiols under aerobic and photocatalyst-free conditions","Green Chemistry","2018","20","22","5117","","10.1039/C8GC02237B","","","0.71073","MoKα","","0.0842","0.0596","","","0.1438","0.1639","","","","","","1.056","","","","has coordinates","230087","2020-10-21","18:00:00",""
"7231667","27.538","0.0019","7.887","0.0006","23.328","0.0016","90","","99.24","0.001","90","","5000.9","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H37 F12 N5 O9 Zn2 -","- C51 H37 F12 N5 O9 Zn2 -","- C204 H148 F48 N20 O36 Zn8 -","4","0.5","","Joharian, Monika; Morsali, Ali; Azhdari Tehrani, Alireza; Carlucci, Lucia; Proserpio, Davide M.","Water-stable fluorinated metal‒organic frameworks (F-MOFs) with hydrophobic properties as efficient and highly active heterogeneous catalysts in aqueous solution","Green Chemistry","2018","20","23","5336","","10.1039/C8GC02367K","","","0.71073","MoKα","","0.1107","0.0568","","","0.1279","0.147","","","","","","1.033","","","","has coordinates","230118","2020-10-21","18:00:00",""
"7231668","14.552","0.003","14.684","0.003","17.328","0.004","90","","91.92","0.03","90","","3700.6","1.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H36 N4 -","- C51 H36 N4 -","- C204 H144 N16 -","4","1","","Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip","Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.","Physical chemistry chemical physics : PCCP","2018","20","43","27385","27393","10.1039/c8cp05355c","","","0.61","synchrotron","","0.0621","0.0449","","","0.1162","0.1234","","","","","","1.023","","","","has coordinates","230910","2020-10-21","18:00:00",""
"7231669","10.602","0.002","16.393","0.003","18.032","0.004","90","","102.46","0.03","90","","3060.1","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N3 O -","- C40 H33 N3 O -","- C160 H132 N12 O4 -","4","1","","Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip","Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.","Physical chemistry chemical physics : PCCP","2018","20","43","27385","27393","10.1039/c8cp05355c","","","0.61","synchrotron","","0.0901","0.0508","","","0.1202","0.1318","","","","","","0.921","","","","has coordinates","230910","2020-10-21","18:00:00",""
"7231670","17.931","0.004","12.546","0.003","27.155","0.005","90","","107.66","0.03","90","","5821","2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H29 N3 -","- C39 H29 N3 -","- C312 H232 N24 -","8","1","","Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip","Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.","Physical chemistry chemical physics : PCCP","2018","20","43","27385","27393","10.1039/c8cp05355c","","","0.61","synchrotron","","0.0595","0.0477","","","0.1321","0.1392","","","","","","1.085","","","","has coordinates","230910","2020-10-21","18:00:00",""
"7231671","9.467","0.0019","10.183","0.002","15.829","0.003","84.16","0.03","76.29","0.03","75.31","0.03","1432.6","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 N3 -","- C39 H29 N3 -","- C78 H58 N6 -","2","1","","Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip","Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.","Physical chemistry chemical physics : PCCP","2018","20","43","27385","27393","10.1039/c8cp05355c","","","0.6","synchrotron","","0.0634","0.0458","","","0.1233","0.1306","","","","","","1.07","","","","has coordinates","230910","2020-10-21","18:00:00",""
"7231672","17.587","0.004","7.74","0.0015","21.032","0.004","90","","105.94","0.03","90","","2752.9","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 -","- C39 H27 N3 -","- C156 H108 N12 -","4","1","","Kundu, Anu; Karthikeyan, Subramanian; Sagara, Yoshimitsu; Moon, Dohyun; Anthony, Savarimuthu Philip","Unusual fluorescent photoswitching of imidazole derivatives: the role of molecular conformation and twist angle controlled organic solid state fluorescence.","Physical chemistry chemical physics : PCCP","2018","20","43","27385","27393","10.1039/c8cp05355c","","","0.7","synchrotron","","0.0892","0.0628","","","0.1646","0.1795","","","","","","1.062","","","","has coordinates","230910","2020-10-21","18:00:00",""
"7231673","20.681","0.0013","10.5543","0.0007","23.8451","0.0015","90","","91.587","0.005","90","","5202.8","0.6","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C31 H24 Br N5 O3 -","- C31 H24 Br N5 O3 -","- C248 H192 Br8 N40 O24 -","8","1","","Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju","Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium","RSC Advances","2018","8","62","35587","","10.1039/C8RA06714G","","","0.71075","MoKα","","","0.0414","","","","0.1336","","","","","","0.965","","","","has coordinates","211517","2020-10-21","18:00:00",""
"7231674","7.8599","0.0006","20.3405","0.0016","13.7843","0.0011","90","","94.269","0.004","90","","2197.6","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Br N4 O4 -","- C24 H21 Br N4 O4 -","- C96 H84 Br4 N16 O16 -","4","1","","Reddy, Marri Sameer; Kumar, Nandigama Satish; Chowhan, L. Raju","Heterogeneous graphene oxide as recyclable catalyst for azomethine ylide mediated 1,3 dipolar cycloaddition reaction in aqueous medium","RSC Advances","2018","8","62","35587","","10.1039/C8RA06714G","","","0.71075","MoKα","","","0.0473","","","","0.1607","","","","","","1.096","","","","has coordinates","211517","2020-10-21","18:00:00",""
"7231675","7.1465","0.0005","8.5993","0.0006","24.5966","0.0017","93.136","0.007","96.008","0.007","106.846","0.007","1433.02","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Br2 Co N2 O5 -","- C31 H26 Br2 Co N2 O5 -","- C62 H52 Br4 Co2 N4 O10 -","2","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.1039","0.0811","","","0.2042","0.2413","","","","","","1.148","","","","has coordinates","211518","2020-10-21","18:00:00",""
"7231676","7.1537","0.0006","8.5883","0.0006","24.6179","0.0017","92.958","0.007","96.172","0.007","106.824","0.007","1433.9","0.2","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Br2 N2 O5 Zn -","- C31 H26 Br2 N2 O5 Zn -","- C62 H52 Br4 N4 O10 Zn2 -","2","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.1252","0.0851","","","0.2127","0.2651","","","","","","1.086","","","","has coordinates","211518","2020-10-21","18:00:00",""
"7231677","14.8266","0.001","12.0316","0.0009","18.82","0.003","90","","96.213","0.007","90","","3337.5","0.6","436","2","436","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 Br2 Cu2 N2 O5 -","- C34 H32 Br2 Cu2 N2 O8 -","- C136 H128 Br8 Cu8 N8 O32 -","4","1","","Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek","Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes","RSC Advances","2018","8","62","35625","","10.1039/C8RA07463A","","","1.54178","CuKα","","0.0927","0.0749","","","0.1969","0.2311","","","","","","1.108","","","","has coordinates","211518","2020-10-21","18:00:00",""
"7231678","25.132","0.002","13.226","0.0008","15.163","0.0009","90","","99.288","0.005","90","","4974","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zju-41","","- C21 H6 Eu2 N3 O18 -","- C21 H6 Eu2 N3 O18 -","- C84 H24 Eu8 N12 O72 -","4","0.5","","Zhao, Dian; Wang, Huizhen; Qian, Guodong","Synthesis, structure and temperature sensing of a lanthanide-organic framework constructed from a pyridine-containing tetracarboxylic acid ligand","CrystEngComm","2018","20","45","7395","","10.1039/C8CE01649F","","","0.71073","MoKα","","0.1143","0.1069","","","0.3163","0.3246","","","","","","1.083","","","","has coordinates","229135","2020-10-21","18:00:00",""
"7231679","15.8498","0.0012","16.1591","0.0013","23.6701","0.0017","97.696","0.002","92.686","0.002","112.973","0.002","5498.5","0.7","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H58 Co3 N8 O18 -","- C90 H58 Co3 N8 O18 -","- C180 H116 Co6 N16 O36 -","2","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1265","0.0715","","","0.1448","0.1673","","","","","","1.024","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231680","10.2058","0.0005","17.9059","0.0009","14.6501","0.0008","90","","91.812","0.004","90","","2675.9","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Pb -","- C25 H38 Fe N2 P2 Pb -","- C100 H152 Fe4 N8 P8 Pb4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0569","0.039","","","0.0861","0.0942","","","","","","1.068","","","","has coordinates","229040","2020-10-21","18:00:00",""
"7231681","10.9718","0.0003","17.9451","0.0006","14.1019","0.0005","90","","101.232","0.002","90","","2723.34","0.15","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Fe N2 P2 Si -","- C25 H38 Fe N2 P2 Si -","- C100 H152 Fe4 N8 P8 Si4 -","4","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","x-ray","0.71073","MoKα","","0.0666","0.0479","","","0.1173","0.1275","","","","","","1.04","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231682","65.582","0.004","30.419","0.002","16.9367","0.001","90","","90.001","0.001","90","","33788","4","150.15","","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H132 Cd6 N16 O42 -","- C188 H132 Cd6 N16 O42 -","- C1504 H1056 Cd48 N128 O336 -","8","1","","Zhang, Jie; Gao, Ling-Ling; Zhai, Li-jun; Wang, Xiao-Qing; Fan, Li-Ming; Hu, Tuo-Ping","Gas adsorption, magnetic, and fluorescent sensing properties of four coordination polymers based on 1,3,5-tris(4-carbonylphenyloxy)benzene and bis(imidazole) linkers","CrystEngComm","2018","20","47","7666","","10.1039/C8CE01421C","","","0.71073","MoKα","","0.1337","0.087","","","0.1907","0.2232","","","","","","1.077","","","","has coordinates,has disorder","229040","2020-10-21","18:00:00",""
"7231683","18.655","0.004","13.1","0.003","12.832","0.003","90","","110.08","0.03","90","","2945.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Ag3 I5 N4 -","- C20 H20 Ag3 I5 N4 -","- C80 H80 Ag12 I20 N16 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.0579","0.0392","","","0.0805","0.087","","","","","","1.034","","","","has coordinates","211603","2020-10-21","18:00:00",""
"7231684","21.078","0.004","21.543","0.004","7.9092","0.0016","90","","107.59","0.03","90","","3423.5","1.3","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C17 H30 Ag5 I6 N5 O -","- C17 H30 Ag5 I6 N5 O -","- C68 H120 Ag20 I24 N20 O4 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.0315","0.0298","","","0.0636","0.0644","","","","","","1.044","","","","has coordinates,has disorder","211603","2020-10-21","18:00:00",""
"7231685","7.2734","0.0002","9.8577","0.0002","16.4819","0.0004","81.468","0.001","87.233","0.001","85.089","0.001","1163.61","0.05","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 Ag2 I4 N4 -","- C13 H22 Ag2 I4 N4 -","- C26 H44 Ag4 I8 N8 -","2","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.033","0.0248","","","0.0494","0.053","","","","","","1.038","","","","has coordinates","211603","2020-10-21","18:00:00",""
"7231686","13.1669","0.0007","6.3974","0.0004","10.7817","0.0006","90","","90.605","0.001","90","","908.13","0.09","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","sarcosine peroxosolvate","N-methylglycine peroxosolvate","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C18 H54 N6 O24 -","6","3","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0249","0.0243","","","0.0662","0.0669","","","","","","1.047","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231687","18.7167","0.0005","18.7167","0.0005","5.7741","0.0003","90","","90","","90","","2022.75","0.13","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","3-phenylserine peroxosolvate","","- C9 H13 N O5 -","- C9 H13 N O5 -","- C72 H104 N8 O40 -","8","1","","Navasardyan, Mger A.; Grishanov, Dmitry A.; Tripol'skaya, Tatiana A.; Kuz'mina, Lyudmila G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Crystal structures of non-proteinogenic amino acid peroxosolvates: rare example of H-bonded hydrogen peroxide chains","CrystEngComm","2018","20","46","7413","","10.1039/C8CE01486H","","","0.71073","MoKα","","0.0368","0.0299","","","0.0741","0.0778","","","","","","1.055","","","","has coordinates","229026","2020-10-21","18:00:00",""
"7231688","17.8928","0.0005","17.8928","0.0005","69.099","0.002","90","","90","","120","","19158.4","0.9","290.83","0.1","290.83","0.1","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C114 H126 N24 Nd4 O42 Zn3 -","- C114 H126 N24 Nd4 O42 Zn3 -","- C684 H756 N144 Nd24 O252 Zn18 -","6","","","Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng","Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition","Green Chemistry","2018","","","","","10.1039/C8GC02645A","","x-ray","0.71073","MoKα","","0.1179","0.0489","","","0.0974","0.1245","","","","","","1.007","","","","has coordinates","211611","2020-10-21","18:00:00",""
"7231689","17.8497","0.0005","17.8497","0.0005","68.762","0.002","90","","90","","120","","18973.2","0.9","290.83","0.1","290.83","0.1","","","","","","","","6","R -3 c","-R 3 2""c","167","","","","- C114 H126 Eu4 N24 O42 Zn3 -","- C114 H126 Eu4 N24 O42 Zn3 -","- C684 H756 Eu24 N144 O252 Zn18 -","6","","","Wang, Li; Zhang, Ruilian; Han, Qing-Xin; Xu, Cong; Chen, Wan-Min; Yang, Huan; Gao, Guoshu; Qin, Wenwu; Liu, Wei-Sheng","Amide-functionalized heterometallic helicate cages as highly efficient catalysts for CO2 conversion under mild condition","Green Chemistry","2018","","","","","10.1039/C8GC02645A","","x-ray","0.71","MoKα","","0.0825","0.042","","","0.0829","0.1021","","","","","","1.033","","","","has coordinates","211611","2020-10-21","18:00:00",""
"7231690","11.438","0.002","11.94","0.002","9.874","0.0019","90","","107.37","0.002","90","","1287","0.4","220","2","220.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H15 N3 S2 -","- C12 H15 N3 S2 -","- C48 H60 N12 S8 -","4","1","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","","0.71073","MoKα","","0.0208","0.0203","","","0.0505","0.0509","","","","","","1.052","","","","has coordinates","211659","2020-10-21","18:00:00",""
"7231691","16.8767","0.0002","33.8581","0.0005","4.4165","0.0001","90","","91.65","0.001","90","","2522.6","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H13 I2 N3 S2 -","- C12 H13 I2 N3 S2 -","- C72 H78 I12 N18 S12 -","6","1.5","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","x-ray","0.71073","MoKα","","0.0187","0.0187","","","0.0478","0.0479","","","","","","1.055","","","","has coordinates,has disorder","211659","2020-10-21","18:00:00",""
"7231692","15.8211","0.0003","15.8245","0.0003","16.6689","0.0002","79.74","0.001","66.715","0.002","73.107","0.002","3658.41","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N7 S2 -","- C18 H13 N7 S2 -","- C144 H104 N56 S16 -","8","4","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","x-ray","1.54184","CuKα","","0.0641","0.0468","","","0.1139","0.1199","","","","","","1.023","","","","has coordinates","211659","2020-10-21","18:00:00",""
"7231693","24.331","0.008","8.402","0.003","20.59","0.006","90","","121.627","0.003","90","","3584","2","296","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Br4 N2 Ni O2 -","- C40 H28 Br4 N2 Ni O2 -","- C160 H112 Br16 N8 Ni4 O8 -","4","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1206","0.0434","","","0.0562","0.0651","","","","","","1.264","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231694","17.482","0.008","10.366","0.005","18.537","0.008","90","","110.601","0.005","90","","3144","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 N2 Ni O2 -","- C40 H32 N2 Ni O2 -","- C160 H128 N8 Ni4 O8 -","4","1","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0912","0.0601","","","0.1583","0.1784","","","","","","1.098","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231695","7.6601","0.0006","13.1771","0.001","16.4976","0.0013","90","","98.918","0.001","90","","1645.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 N2 Ni O2 -","- C42 H38 N2 Ni O2 -","- C84 H76 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0544","0.0423","","","0.1371","0.1499","","","","","","1.142","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231696","11.0313","0.0011","11.2443","0.0011","13.3797","0.0013","90","","99.094","0.001","90","","1638.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N2 Ni O2 -","- C42 H36 N2 Ni O2 -","- C84 H72 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0317","0.0286","","","0.0836","0.0864","","","","","","1.07","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231697","17.8459","0.0014","9.8816","0.0007","20.2608","0.0016","90","","110.645","0.001","90","","3343.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Br2 N2 Ni O2 -","- C40 H30 Br2 N2 Ni O2 -","- C160 H120 Br8 N8 Ni4 O8 -","4","1","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.2086","0.1327","","","0.3291","0.3587","","","","","","2.001","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231698","10.243","0.004","16.148","0.006","12.283","0.005","90","","93.351","0.004","90","","2028.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 Ni O4 -","- C42 H36 N2 Ni O4 -","- C84 H72 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.0462","0.04","","","0.1257","0.1353","","","","","","1.135","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231699","9.96","0.007","24.935","0.016","8.698","0.006","90","","104.781","0.008","90","","2089","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cl4 N2 Ni O4 -","- C44 H36 Cl4 N2 Ni O4 -","- C88 H72 Cl8 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1042","0.0541","","","0.1312","0.1469","","","","","","1.035","","","","has coordinates,has disorder","211661","2020-10-21","18:00:00",""
"7231700","9.1018","0.001","13.8097","0.0015","16.5217","0.0017","73.923","0.002","74.397","0.001","81.837","0.002","1916.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 Cl8 N4 Ni2 O6 -","- C88 H76 Cl8 N4 Ni2 O6 -","- C88 H76 Cl8 N4 Ni2 O6 -","1","0.5","","He, Xiaohui; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Cheng, Changwen; Zhu, Chuanyi; Duan, Yapeng; Wang, Suli; Chen, Defu","Bis-(salicylaldehyde-benzhydrylimino)nickel complexes with different electron groups: crystal structure and their catalytic properties toward (co)polymerization of norbornene and 1-hexene","RSC Advances","2018","8","63","36298","","10.1039/C8RA06561F","","","0.71073","MoKα","","0.1887","0.0702","","","0.0762","0.0905","","","","","","1.167","","","","has coordinates","211661","2020-10-21","18:00:00",""
"7231701","7.12752","0.00019","17.6661","0.0004","13.3872","0.0003","90","","93.272","0.003","90","","1682.91","0.07","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Bi Br2 Cl4 N2 -","- C10 H9 Bi Br2 Cl4 N2 -","- C40 H36 Bi4 Br8 Cl16 N8 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.038","0.0292","","","0.0564","0.0595","","","","","","1.061","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231702","21.9138","0.0009","8.3002","0.0003","11.1021","0.0004","90","","90","","90","","2019.35","0.13","130","2","130","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C12 H14 Bi Br2 Cl5 N2 -","- C12 H14 Bi Br2 Cl5 N2 -","- C48 H56 Bi4 Br8 Cl20 N8 -","4","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0329","0.0249","","","0.0495","0.0522","","","","","","1.05","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231703","9.1733","0.0003","10.5445","0.0003","10.733","0.0004","100.26","0.003","97.127","0.003","108.312","0.003","951.67","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi Br7 N2 -","- C10 H10 Bi Br7 N2 -","- C20 H20 Bi2 Br14 N4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.039","0.0301","","","0.0525","0.056","","","","","","1.013","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231704","8.2817","0.0004","20.8514","0.0011","12.0986","0.0005","90","","90","","90","","2089.25","0.17","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H12 Bi Br7 N2 O -","- C10 H10 Bi Br7 N2 O -","- C40 H40 Bi4 Br28 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0422","0.0384","","","0.0899","0.0929","","","","","","1.035","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231705","5.5707","0.0003","15.775","0.0008","10.517","0.0006","90","","104.307","0.005","90","","895.55","0.09","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Bi Br2 Cl5 N2 -","- C10 H10 Bi Br2 Cl5 N2 -","- C20 H20 Bi2 Br4 Cl10 N4 -","2","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0465","0.0353","","","0.0762","0.0814","","","","","","1.051","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231706","9.322","0.0003","20.3199","0.0007","9.6981","0.0003","90","","100.515","0.003","90","","1806.19","0.1","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H21 Bi2 Br12 N3 O3 -","- C15 H15 Bi2 Br12 N3 O3 -","- C30 H30 Bi4 Br24 N6 O6 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0479","0.0423","","","0.0845","0.0883","","","","","","1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231707","8.1878","0.0007","12.1235","0.0009","19.5314","0.0015","90","","99.969","0.008","90","","1909.5","0.3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Bi2 Br12 N3 O2 -","- C18 H21 Bi2 Br12 N3 O2 -","- C36 H42 Bi4 Br24 N6 O4 -","2","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0533","0.0481","","","0.0991","0.105","","","","","","1.078","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231708","11.5904","0.0007","7.6333","0.0004","21.9998","0.0011","90","","96.548","0.005","90","","1933.69","0.18","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Bi Br2 Cl5 N2 O -","- C10 H10 Bi Br2 Cl5 N2 O -","- C40 H40 Bi4 Br8 Cl20 N8 O4 -","4","1","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0431","0.0344","","","0.075","0.079","","","","","","1.1","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231709","8.8204","0.0004","10.4344","0.0004","10.4924","0.0004","99.47","0.003","97.092","0.004","108.757","0.004","885.7","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","- C20 H20 Bi2 Br4 Cl10 N4 -","1","0.5","","Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring","CrystEngComm","2018","20","48","7766","","10.1039/C8CE01749B","","x-ray","0.71073","MoKα","","0.0445","0.0363","","","0.0627","0.068","","","","","","1.03","","","","has coordinates","229047","2020-10-21","18:00:00",""
"7231710","14.359","0.0009","14.435","0.001","22.611","0.0014","90","","98.697","0.0011","90","","4632.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd2 N3 O11 -","- C20 H15 Cd2 N3 O11 -","- C80 H60 Cd8 N12 O44 -","4","1","","Yao, Chan; Wang, Wei; Zhang, Shu-Ran; Li, Hui-Ying; Xu, Yan-Hong; Su, Zhong-Min; Che, Guang-Bo","A multifunctional microporous metal‒organic framework: efficient adsorption of iodine and column-chromatographic dye separation","RSC Advances","2018","8","63","36400","","10.1039/C8RA04648D","","","0.71069","MoKα","","0.1092","0.0781","","","0.2538","0.2803","","","","","","1.097","","","","has coordinates","211678","2020-10-21","18:00:00",""
"7231711","13.407","0.005","14.365","0.005","35.826","0.013","90","","90","","90","","6900","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H68 N11 Ni7 O51 P W9 -","- C18 H31 N11 Ni7 O45 P W9 -","- C72 H124 N44 Ni28 O180 P4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.0592","0.0436","","","0.0923","0.0989","","","","","","1.009","","","","has coordinates,has disorder","229028","2020-10-21","18:00:00",""
"7231712","12.947","0.003","20.737","0.005","22.751","0.004","97.442","0.01","90.63","0.009","93.308","0.01","6046","2","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H69 N10 Na Ni7 O91 P2 W21 -","- C18 H24 N10 Na Ni7 O91 P2 W21 -","- C36 H48 N20 Na2 Ni14 O182 P4 W42 -","2","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.1247","0.0893","","","0.2191","0.2539","","","","","","1.03","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231713","13.28","0.004","19.351","0.006","23.254","0.007","90","","90","","90","","5976","3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H49 N6 Ni6 O50 P S W9 -","- C12 H20 N6 Ni6 O45 P S W9 -","- C48 H80 N24 Ni24 O180 P4 S4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.068","0.0546","","","0.1364","0.1442","","","","","","1.023","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231723","6.1995","0.0013","10.621","0.002","10.8086","0.0017","73.54","0.016","87.889","0.015","74.954","0.018","658.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Li O5 S -","- C12 H11 Li O5 S -","- C24 H22 Li2 O10 S2 -","2","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0923","0.0807","","","0.1947","0.2114","","","","","","1.034","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231724","23.135","0.002","18.519","0.002","5.9607","0.0006","90","","90","","90","","2553.8","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H21 K O9 S2 -","- C24 H21 K O9 S2 -","- C96 H84 K4 O36 S8 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0805","0.0578","","","0.0996","0.112","","","","","","1.053","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231725","5.8453","0.0004","20.2492","0.0013","16.2705","0.0015","90","","98.81","0.007","90","","1903.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cs O6 S -","- C15 H19 Cs O6 S -","- C60 H76 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0903","0.0637","","","0.1746","0.1977","","","","","","1.023","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231726","5.8479","0.0008","19.8676","0.0018","15.163","0.002","90","","94.894","0.014","90","","1755.3","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cs O6 S -","- C14 H15 Cs O6 S -","- C56 H60 Cs4 O24 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0978","0.0706","","","0.1571","0.1808","","","","","","1.081","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231727","10.415","0.0006","20.769","0.0011","6.1304","0.0004","90","","90.375","0.006","90","","1326.03","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Na O5 S -","- C12 H11 Na O5 S -","- C48 H44 Na4 O20 S4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0732","0.0674","","","0.1706","0.1732","","","","","","1.058","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231728","12.4476","0.0009","13.9099","0.0008","7.1","0.0005","90","","90","","90","","1229.33","0.14","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C12 H8 Ca O4 S -","- C12 H8 Ca O4 S -","- C48 H32 Ca4 O16 S4 -","4","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0544","0.0462","","","0.1593","0.1659","","","","","","1.05","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231729","13.1788","0.0005","13.052","0.0003","25.6276","0.0009","90","","103.014","0.004","90","","4295","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Mg O22 S3 -","- C36 H48 Mg O22 S3 -","- C144 H192 Mg4 O88 S12 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0948","0.066","","","0.1178","0.138","","","","","","1.017","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231730","5.6916","0.001","11.2202","0.0013","12.0632","0.0014","106.848","0.01","99.54","0.012","94.197","0.012","721.08","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","- C24 H26 Ca O12 S2 -","1","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0895","0.0652","","","0.1752","0.2001","","","","","","1.075","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231731","17.1688","0.001","17.1688","0.001","16.0605","0.0011","90","","90","","90","","4734.1","0.5","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 Ba2 O32 S8 -","- C96 H76 Ba2 O32 S8 -","- C192 H152 Ba4 O64 S16 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0861","0.0845","","","0.2259","0.2279","","","","","","1.062","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231732","20.2502","0.0009","5.6487","0.0002","26.7408","0.0011","90","","111.037","0.005","90","","2854.9","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ba2 O11 S2 -","- C26 H26 Ba2 O11 S2 -","- C104 H104 Ba8 O44 S8 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0385","0.0325","","","0.0683","0.0718","","","","","","1.072","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231733","5.6083","0.0003","18.9927","0.0013","13.8433","0.0009","90","","93.795","0.005","90","","1471.31","0.16","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O6 S Sr -","- C12 H12 O6 S Sr -","- C48 H48 O24 S4 Sr4 -","4","1","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0852","0.0533","","","0.1136","0.1397","","","","","","1.053","","","","has coordinates,has disorder","229030","2020-10-21","18:00:00",""
"7231734","16.9794","0.0008","16.9794","0.0008","15.815","0.0011","90","","90","","90","","4559.5","0.4","295","2","295","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H76 O32 S8 Sr2 -","- C96 H76 O32 S8 Sr2 -","- C192 H152 O64 S16 Sr4 -","2","0.25","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0959","0.0623","","","0.1501","0.1708","","","","","","1.004","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231735","5.9689","0.0003","18.6102","0.0007","11.605","0.0006","90","","94.291","0.004","90","","1285.5","0.1","295","2","295","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C12 H10 Mg O5 S -","- C12 H10 Mg O5 S -","- C48 H40 Mg4 O20 S4 -","4","0.5","","Li, Cheng; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","Cooperative effects of metal cations and coordination modes on luminescent s-block metal‒organic complexes constructed from V-shaped 4,4′-sulfonyldiphenol","CrystEngComm","2018","20","46","7513","","10.1039/C8CE01591K","","","0.71073","MoKα","","0.0515","0.0382","","","0.091","0.0993","","","","","","1.025","","","","has coordinates","229030","2020-10-21","18:00:00",""
"7231738","7.3825","0.0004","8.417","0.0004","8.8371","0.0004","113.255","0.001","105.18","0.001","95.99","0.002","473.36","0.04","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","3-(3-methylimidazolium-1-yl)propanoate dihydrate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C14 H28 N4 O8 -","2","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0373","0.0342","","","0.0911","0.0937","","","","","","1.073","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231739","6.6643","0.0004","8.7065","0.0005","12.8","0.0008","90","","90","","90","","742.69","0.08","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-methylimidazolium-1-yl)propanoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0274","0.0266","","","0.0707","0.0712","","","","","","1.087","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231740","7.7258","0.0007","12.6758","0.0012","8.8421","0.0009","90","","105.55","0.01","90","","834.22","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-methylimidazolium-1-yl)propanoate monohydrate","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.042","0.0337","","","0.0807","0.0855","","","","","","1.046","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231741","20.1911","0.0009","7.9146","0.0003","22.5627","0.0011","90","","92.268","0.002","90","","3602.8","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1 (2 carboxyethyl)-3-methylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C112 H176 Cl16 N32 O32 -","16","2","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0715","0.0733","","","","","","1.033","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231742","11.454","0.002","16.08","0.003","13.689","0.002","90","","103.293","0.003","90","","2453.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Eu2 N8 O14 -","- C50 H42 Eu2 N8 O14 -","- C100 H84 Eu4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0514","0.0355","","","0.0796","0.0873","","","","","","1.048","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231743","15.764","0.008","7.932","0.004","18.869","0.009","90","","91.802","0.008","90","","2358","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N5 O7 Tb -","- C23 H16 N5 O7 Tb -","- C92 H64 N20 O28 Tb4 -","4","1","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0884","0.0537","","","0.1431","0.166","","","","","","1.037","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231744","11.4496","0.0019","16.139","0.003","13.595","0.002","90","","103.261","0.003","90","","2445.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 N8 O14 Tb2 -","- C50 H42 N8 O14 Tb2 -","- C100 H84 N16 O28 Tb4 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.0757","0.0415","","","0.0843","0.0975","","","","","","0.996","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231745","11.4127","0.0019","16.033","0.003","13.543","0.002","90","","103.302","0.003","90","","2411.6","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H42 Dy2 N8 O14 -","- C50 H42 Dy2 N8 O14 -","- C100 H84 Dy4 N16 O28 -","2","0.5","","Lu, Yan-Na; Peng, Jun-Ling; Zhou, Xia; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Rapid naked-eye luminescence detection of carbonate ion through acetonitrile hydrolysis induced europium complexes","CrystEngComm","2018","20","46","7574","","10.1039/C8CE01414K","","","0.71073","MoKα","","0.073","0.0416","","","0.0876","0.1017","","","","","","0.982","","","","has coordinates","229029","2020-10-21","18:00:00",""
"7231746","10.9477","0.0005","12.6996","0.0005","12.7984","0.0004","110.328","0.003","100.145","0.003","108.53","0.004","1497.64","0.13","296.62","0.1","296.62","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H22 Cd N6 O8 -","- C32 H22 Cd N6 O8 -","- C64 H44 Cd2 N12 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0277","0.0242","","","0.0624","0.0647","","","","","","1.056","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231747","11.2419","0.0004","12.472","0.0004","12.7658","0.0004","112.81","0.003","98.524","0.003","107.333","0.003","1502.58","0.11","292.14","0.1","292.14","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Cd N7 O8 -","- C32 H20 Cd N7 O8 -","- C64 H40 Cd2 N14 O16 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","0.71","MoKα","","0.0298","0.0277","","","0.0737","0.0753","","","","","","1.092","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231748","8.9688","0.0002","13.3571","0.0003","13.4352","0.0003","90","","102.071","0.002","90","","1573.91","0.06","296.61","0.1","296.61","0.1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 H26 Cd N6 O9 -","- C36 H26 Cd N6 O9 -","- C72 H52 Cd2 N12 O18 -","2","1","","Li, Ziyin; Guo, Junzhi; Xiang, Fahui; Lin, Quanjie; Ye, Yingxiang; Zhang, Jindan; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Photochromic naphthalene diimide Cd-MOFs based on different second dicarboxylic acid ligands","CrystEngComm","2018","20","46","7567","","10.1039/C8CE01667D","","x-ray","1.54184","CuKα","","0.0295","0.0257","","","0.0644","0.0677","","","","","","1.06","","","","has coordinates","229023","2020-10-21","18:00:00",""
"7231749","9.66","0.0011","22.258","0.003","11.3838","0.0013","90","","106.975","0.002","90","","2341","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O8 Zn2 -","- C24 H15 N O8 Zn2 -","- C96 H60 N4 O32 Zn8 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0585","0.0405","","","0.0947","0.1014","","","","","","1.088","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231750","11.117","0.001","11.2139","0.001","13.6948","0.0012","104.059","0.001","100.259","0.001","93.09","0.002","1621.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 N2 O13 Pb2 -","- C24 H11 N O9 Pb2 -","- C48 H22 N2 O18 Pb4 -","2","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0742","0.0562","","","0.1677","0.1823","","","","","","1.079","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231751","14.751","0.005","12.781","0.005","11.161","0.005","90","","90","","90","","2104.2","1.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H19 Mn N O9 -","- C24 H19 Mn N O9 -","- C96 H76 Mn4 N4 O36 -","4","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71069","MoKα","","0.0484","0.0358","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231752","10.8479","0.0018","20.105","0.003","22.305","0.004","90","","90","","90","","4864.7","1.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H23 Cd N O11 -","- C24 H23 Cd N O11 -","- C192 H184 Cd8 N8 O88 -","8","1","","Qiao, Yu; Ma, Yufeng; Jiang, Wei; Wang, Xiuyan; Guan, Weisheng; Che, Guangbo; Li, Weikang; Qin, Fang","A series of metal‒organic frameworks constructed by a rigid-flexible 5-(bis(4-carboxybenzyl)amino)isophthalic acid: syntheses, crystal structures and physical properties","CrystEngComm","2018","20","48","7782","","10.1039/C8CE01209A","","","0.71073","MoKα","","0.0502","0.0333","","","0.0789","0.0869","","","","","","1.023","","","","has coordinates","229050","2020-10-21","18:00:00",""
"7231753","9.5199","0.0007","10.2672","0.0006","12.5352","0.0008","84.614","0.005","70.854","0.006","80.244","0.005","1139.75","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Cu2 N9 S3 -","- C23 H12 Cu2 N9 S3 -","- C46 H24 Cu4 N18 S6 -","2","1","","Li, Meng-Hua; You, Ming-Hua; Zhang, Jiang-Yan; Xiao, Wang-Chuan; Lin, Mei-Jin","A bicontinuous donor‒acceptor hybrid heterostructure based on coordination and cation‒π interactions","CrystEngComm","2018","20","48","7795","","10.1039/C8CE01526K","","x-ray","0.71073","MoKα","","0.0564","0.0497","","","0.1563","0.1664","","","","","","1.055","","","","has coordinates","229049","2020-10-21","18:00:00",""
"7231763","9.3537","0.0005","22.3285","0.0017","8.8584","0.0006","90","","105.591","0.006","90","","1782","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C68 H80 N16 O20 -","4","1","","Zhao, Ruinan; Yang, Yaocheng; Wang, Xia; Ren, Peng; Zhang, Qian; Li, Dong","An efficient nickel/silver co-catalyzed remote C‒H amination of 8-aminoquinolines with azodicarboxylates at room temperature","RSC Advances","2018","8","65","37064","","10.1039/C8RA07647B","","x-ray","1.54184","CuKα","","0.056","0.0436","","","0.1129","0.1236","","","","","","1.05","","","","has coordinates","211807","2020-10-21","18:00:00",""
"7231764","8.408","0.005","20.812","0.005","12.279","0.005","90","0.005","97.875","0.005","90","0.005","2128.4","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N4 O5 Zn -","- C20 H17 N4 O5 Zn -","- C80 H68 N16 O20 Zn4 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0672","0.0595","","","0.1449","0.1535","","","","","","1.064","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231765","13.7262","0.0013","20.841","0.002","18.9308","0.0018","90","","90","","90","","5415.5","0.9","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H25 Co N4 O9 -","- C26 H17 Co N4 O5 -","- C208 H136 Co8 N32 O40 -","8","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0843","0.0704","","","0.2159","0.2253","","","","","","1.046","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231766","20.946","0.002","21.777","0.003","19.067","0.002","90","","102.325","0.002","90","","8496.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H64 N18 O23 Zn4 -","- C84 H54 N18 O23 Zn4 -","- C336 H216 N72 O92 Zn16 -","4","0.5","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71069","MoKα","","0.0743","0.0592","","","0.1606","0.172","","","","","","0.981","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231767","16.0554","0.0018","16.5185","0.0017","19.99","0.002","90","","93.14","0.002","90","","5293.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 N8 O16 Zn2 -","- C54 H34 N8 O16 Zn2 -","- C216 H136 N32 O64 Zn8 -","4","1","","Luo, Li; Liu, Shou-Qing; Xu, Xiao-Wen; Xu, Jing; Zhao, Jiang-Lin","Four new MOFs based on an imidazole-containing ligand and multicarboxylates: syntheses, structures and sorption properties","CrystEngComm","2018","20","47","7719","","10.1039/C8CE01448E","","","0.71073","MoKα","","0.0701","0.0525","","","0.1343","0.1444","","","","","","1.052","","","","has coordinates","229038","2020-10-21","18:00:00",""
"7231768","12.4801","0.0001","23.2176","0.0002","23.4275","0.0003","90","","90","","90","","6788.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/(-)-ephedrine complex","","","- C56 H85 Cl2 N26 O22.6 -","- C56 H80 Cl2 N26 O22.621 -","- C224 H320 Cl8 N104 O90.484 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","0.71073","MoKα","","0.0652","0.0539","","","0.1211","0.1284","","","","","","1.09","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231769","14.3239","0.0007","20.8368","0.0007","12.9299","0.0006","90","","108.378","0.005","90","","3662.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cucurbit[6]uril/(±)-synephrine complex","","","- C54 H92 Cl2 N26 O30 -","- C54 H72 Cl2 N26 O30 -","- C108 H144 Cl4 N52 O60 -","2","0.5","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.0723","0.0692","","","0.1907","0.1933","","","","","","1.044","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231770","50.127","0.009","50.127","0.009","12.4583","0.0004","90","","90","","120","","27110","7","100","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","cucurbit[6]uril/(±)-octopamine complex","","","- C44 H72.67 Cl N25 O26.33 -","- C44 H48 Cl N25 O26.3333 -","- C792 H864 Cl18 N450 O474 -","18","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.2244","0.1243","","","0.2721","0.3121","","","","","","1.007","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231771","12.6334","0.0003","16.0589","0.0004","30.9023","0.0008","90","","99.95","0.003","90","","6175.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H73.4 Cl3 Mg N25 O26.7 -","- C44 H48 Cl3 Mg N25 O26.7 -","- C176 H192 Cl12 Mg4 N100 O106.8 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","1.54184","CuKα","","0.153","0.114","","","0.3056","0.333","","","","","","1.038","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231772","9.2748","0.0007","9.397","0.0008","12.7651","0.0011","89.293","0.003","70.077","0.003","72.761","0.003","994.09","0.14","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H17 Cu N3 O7 -","- C21 H17 Cu N3 O7 -","- C42 H34 Cu2 N6 O14 -","2","1","","Arjmand, Farukh; Afsan, Zeenat; Roisnel, Thierry","Design, synthesis and characterization of novel chromone based-copper(ii) antitumor agents with N,N-donor ligands: comparative DNA/RNA binding profile and cytotoxicity","RSC Advances","2018","8","65","37375","","10.1039/C8RA06722H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0651","0.0679","","","","","","1.055","","","","has coordinates","211826","2020-10-21","18:00:00",""
"7231773","9.7287","0.0003","16.2803","0.0005","18.0736","0.0005","90","","97.594","0.003","90","","2837.5","0.15","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Triethylammonium 3-[(4-hydroxy-2,2-dioxido-1,2-benzoxathiin-3-yl)methylphenyl]-1,2-benzoxathiin-4-olate 2,2-dioxide","","- C29 H31 N O8 S2 -","- C29 H31 N O8 S2 -","- C116 H124 N4 O32 S8 -","4","1","","Grygoriv, Galyna V.; Lega, Dmitry A.; Chernykh, Valentin P.; Zaprutko, Lucjusz; Gzella, Andrzej K.; Pawełczyk, Anna; Shemchuk, Leonid A.","1,2-Benzoxathiin-4(3H)-one 2,2-dioxide ‒ new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles","RSC Advances","2018","8","65","37295","","10.1039/C8RA06801A","","","0.71073","MoKα","","0.0495","0.0409","","","0.1058","0.112","","","","","","1.059","","","","has coordinates","211827","2020-10-21","18:00:00",""
"7231774","8.4151","0.0003","11.8166","0.0005","17.6708","0.0008","90","","103.635","0.005","90","","1707.63","0.13","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(2-methoxyphenyl)-4H-pyrano[3,2-c][1,2]benzoxathiine-3-carbonitrile 5,5-dioxide","","- C19 H14 N2 O5 S -","- C19 H14 N2 O5 S -","- C76 H56 N8 O20 S4 -","4","1","","Grygoriv, Galyna V.; Lega, Dmitry A.; Chernykh, Valentin P.; Zaprutko, Lucjusz; Gzella, Andrzej K.; Pawełczyk, Anna; Shemchuk, Leonid A.","1,2-Benzoxathiin-4(3H)-one 2,2-dioxide ‒ new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles","RSC Advances","2018","8","65","37295","","10.1039/C8RA06801A","","","0.71073","MoKα","","0.0456","0.0393","","","0.1012","0.1076","","","","","","1.055","","","","has coordinates","211827","2020-10-21","18:00:00",""
"7231775","11.1231","0.0002","11.9525","0.0002","8.5577","0.0001","90","","99.993","0.002","90","","1120.48","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng","Metal-free construction of primary sulfonamides through three diverse salts","Green Chemistry","2018","20","24","5469","","10.1039/C8GC03014F","","x-ray","1.54184","CuKα","","0.0412","0.0395","","","0.1061","0.1078","","","","","","1.041","","","","has coordinates","230085","2020-10-21","18:00:00",""
"7231778","27.2594","0.0019","5.7351","0.0004","26.1139","0.0018","90","","102.009","0.002","90","","3993.2","0.5","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(4-fluorophenyl)-<i>N</i>-phenyl-2-(phenylamino)ethanesulfonamide ‒ toluene (1/0.5)","","- C23.5 H23 F N2 O2 S -","- C23.5 H23 F N2 O2 S -","- C188 H184 F8 N16 O16 S8 -","8","1","","Khumalo, Mzilikazi F.; Akpan, Ekemini D.; Chinthakindi, Praveen K.; Brasil, Edikarlos M.; Rajbongshi, Kamal K.; Makatini, Maya M.; Govender, Thavendran; Kruger, Hendrik G.; Naicker, Tricia; Arvidsson, Per I.","Synthesis of novel 1,2,4-thiadiazinane 1,1-dioxides via three component SuFEx type reaction","RSC Advances","2018","8","65","37503","","10.1039/C8RA07627H","","x-ray","0.71073","MoKα","","0.0447","0.0358","","","0.0899","0.0958","","","","","","1.032","","","","has coordinates,has disorder","211852","2020-10-21","18:00:00",""
"7231780","25.112","0.002","18.588","0.002","12.3475","0.0013","90","","95.627","0.005","90","","5735.8","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H104 F1.5 I1.5 N4 O3.49 S0.5 -","- C50.501 H104 F1.503 I1.499 N4 O3.503 S0.501 -","- C202.004 H416 F6.012 I5.996 N16 O14.012 S2.004 -","4","1","","Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut","Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.","Physical chemistry chemical physics : PCCP","2018","20","46","28979","28983","10.1039/c8cp05837g","","","1.54178","CuKα","","0.125","0.0736","","","0.1742","0.2049","","","","","","1.044","","","","has coordinates,has disorder","230928","2020-10-21","18:00:00",""
"7231781","25.2916","0.0014","18.5641","0.0009","12.4789","0.0007","90","","92.978","0.004","90","","5851.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H54 I N2 O -","- C26 H54 I N2 O -","- C208 H432 I8 N16 O8 -","8","2","","Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut","Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.","Physical chemistry chemical physics : PCCP","2018","20","46","28979","28983","10.1039/c8cp05837g","","","1.54178","CuKα","","0.0883","0.0585","","","0.1384","0.156","","","","","","1.041","","","","has coordinates","230928","2020-10-21","18:00:00",""
"7231782","23.7688","0.0008","9.2641","0.0003","14.0543","0.0005","90","","100.476","0.002","90","","3043.12","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H60 Cl N2 O3 -","- C27 H60 Cl N2 O3 -","- C108 H240 Cl4 N8 O12 -","4","1","","Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut","Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.","Physical chemistry chemical physics : PCCP","2018","20","46","28979","28983","10.1039/c8cp05837g","","","1.54178","CuKα","","0.0916","0.0675","","","0.1188","0.1258","","","","","","1.172","","","","has coordinates","230928","2020-10-21","18:00:00",""
"7231783","25.5688","0.001","18.6362","0.0007","12.5354","0.0005","90","","93.716","0.002","90","","5960.6","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52.55 H108 F1.63 I1.46 N4 O3.63 S0.54 -","- C52.544 H108 F1.632 I1.456 N4 O3.632 S0.544 -","- C210.176 H432 F6.528 I5.824 N16 O14.528 S2.176 -","4","1","","Exner, Jessica; Eusterwiemann, Steffen; Janka, Oliver; Doerenkamp, Carsten; Massolle, Anja; Niehaus, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Neugebauer, Johannes; Studer, Armido; Eckert, Hellmut","Antiferromagnetic ordering based on intermolecular London dispersion interactions in amphiphilic TEMPO ammonium salts.","Physical chemistry chemical physics : PCCP","2018","20","46","28979","28983","10.1039/c8cp05837g","","","1.54178","CuKα","","0.064","0.0517","","","0.1065","0.1117","","","","","","1.087","","","","has coordinates,has disorder","230928","2020-10-21","18:00:00",""
"7231784","6.4337","0.0001","11.1793","0.0003","12.2318","0.0003","93.911","0.001","94.666","0.001","94.232","0.001","872.02","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_BT4_24_07_11","","","- C20 H11 N5 O S -","- C20 H11 N5 O S -","- C40 H22 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","","","0.0372","0.0347","","","0.1097","0.1125","","","","","","1.684","","","","has coordinates","211883","2020-10-21","18:00:00",""
"7231785","9.3107","0.0002","10.8553","0.0002","12.3036","0.0003","71.336","0.001","71.596","0.001","84.756","0.001","1117.81","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_BTg_11_07_11","","","- C24 H20 N6 O2 S -","- C24 H20 N6 O2 S -","- C48 H40 N12 O4 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","","","0.0751","0.0725","","","0.213","0.2166","","","","","","1.084","","","","has coordinates","211883","2020-10-21","18:00:00",""
"7231786","6.4441","0.0008","12.3108","0.0013","12.7473","0.0012","61.344","0.005","80.031","0.006","83.005","0.006","873.13","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H10 Cl N5 O S -","- C20 H10 Cl N5 O S -","- C40 H20 Cl2 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","0.71075","MoKα","","","0.0349","","","","0.0968","","","","","","0.917","","","","has coordinates","211883","2020-10-21","18:00:00",""
"7231787","6.6752","0.0003","11.0006","0.0006","13.2731","0.0008","67.007","0.003","80.203","0.003","85.509","0.003","884.07","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","F4","","","- C20 H9 Cl F N5 O S -","- C20 H9 Cl F N5 O S -","- C40 H18 Cl2 F2 N10 O2 S2 -","2","1","","Ibrahim, Hamada Mohamed; Ahmed Arafa, Wael Abdelgayed; Behbehani, Haider","l-Proline catalyzed one-pot synthesis of polysubstituted pyridine system incorporating benzothiazole moiety via sustainable sonochemical approach","RSC Advances","2018","8","66","37606","","10.1039/C8RA07013J","","","1.54178","CuKα","","0.0535","0.0465","","","0.1279","0.1405","","","","","","1.01","","","","has coordinates","211883","2020-10-21","18:00:00",""
"7231788","20.93","0.006","21.739","0.002","30.936","0.002","90","","90","","90","","14076","4","10","2","10","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C405.8 H194.16 Ag8 Al8 Cl11.6 F288 Mo32 N8 O96 P32 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","0.6702","synchrotron","","0.0536","0.0493","","","0.1332","0.1376","","","","","","1.069","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231789","18.1526","0.0009","18.9664","0.0007","18.8938","0.0008","90","","110.424","0.006","90","","6096","0.5","123","0.3","123","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C82.4 H40.8 Ag2 Al2 Cl4.8 F72 Mo4 N4 O16 P4 -","- C164.8 H81.6 Ag4 Al4 Cl9.6 F144 Mo8 N8 O32 P8 -","2","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0867","0.0557","","","0.1453","0.1536","","","","","","0.964","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231790","15.4197","0.0005","15.8109","0.0005","17.58","0.0006","107.136","0.003","92.394","0.003","90.977","0.002","4090.2","0.2","123","2","123","2","","","","","","","","10","P -1","-P 1","2","","","","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","- C115.5 H59 Ag2 Al2 Cl3 F72 Mo8 N2 O24 P8 -","1","0.5","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0908","0.0764","","","0.2287","0.2417","","","","","","1.079","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231791","28.6833","0.0002","25.7478","0.0002","15.8316","0.0001","90","","90","","90","","11692.1","0.14","123","2","123","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C82 H40 Ag2 Al2 Cl4 F72 Mo4 N4 O16 P4 -","- C328 H160 Ag8 Al8 Cl16 F288 Mo16 N16 O64 P16 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","1.54178","CuKα","","0.0435","0.043","","","0.1161","0.1165","","","","","","1.058","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231797","3.8347","0.0009","7.258","0.0003","16.5477","0.0002","90","","90","","93.41","0.008","459.74","0.11","298","","298","","","","","","","","","5","P 1 1 21","P 2c","4","catena-dibromo-bis(3-cyanopyridine)manganat","catena-dibromo-(3-cyanopyridine)manganat","","- C6 H4 Br2 Mn N2 -","- C6 H4 Br2 Mn N2 -","- C12 H8 Br4 Mn2 N4 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00944","1.266","","","","","","","has coordinates","287932","2023-12-01","13:55:21",""
"7231798","10.9722","0.0009","10.9722","0.0009","10.46","0.0003","90","","90","","90","","1259.27","0.15","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","NiBr2(3cypy)4","- C24 H16 Br2 N8 Ni -","- C24 H16 Br2 N8 Ni -","- C48 H32 Br4 N16 Ni2 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0044","1.856","","","","","","","has coordinates","287932","2023-12-01","13:55:24",""
"7231799","3.757","0.001","13.625","0.001","13.868","0.007","87.377","0.002","82.344","0.002","82.405","0.001","697.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)cobaltat","beta-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231800","27.019","0.0016","7.1242","0.0009","3.7597","0.0005","90","","90","","90","","723.7","0.14","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)cobaltat","alpha-Catena-dibromo-di(3-cyanopyridine)cobaltat","","- C12 H8 Br2 Co N4 -","- C12 H8 Br2 Co N4 -","- C24 H16 Br4 Co2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.0078","1.417","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231801","11.2178","0.0005","11.2178","0.0005","10.3309","0.0006","90","","90","","90","","1300.03","0.11","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)manganat","Dibromo-tetra(3-cyanopyridine)manganat","MnBr2(3-cypy)4","- C24 H16 Br2 Mn N8 -","- C24 H16 Br2 Mn N8 -","- C48 H32 Br4 Mn2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00933","1.04","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231802","27.30464","0.00039","7.221904","0.000094","3.829715","0.000043","90","","90","","90","","755.187","0.017","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-di(3-cyanopyridine)manganat","Catena-dibromo-di(3-cyanopyridine)manganat","","- C12 H8 Br2 Mn N4 -","- C12 H8 Br2 Mn N4 -","- C24 H16 Br4 Mn2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01039","1.208","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231803","3.709","0.001","26.801","0.004","13.706","0.008","90","","97.678","0.006","90","","1350.2","0.9","198","","198","","","","","","","","","5","C 1 c 1","C -2yc","9","Dibromo-bis(3-cyanopyridine)nickelat","alpha-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C48 H32 Br8 N16 Ni4 -","4","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00446","1.825","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231804","11.0587","0.0004","11.0587","0.0004","10.4149","0.0005","90","","90","","90","","1273.69","0.09","298","","298","","","","","","","","","5","P 4 n c","P 4 -2n","104","Dibromo-tetra(3-cyanopyridine)nickelat","Dibromo-tetra(3-cyanopyridine)nickelat","CoBr2(3cypy)4","- C24 H16 Br2 Co N8 -","- C24 H16 Br2 Co N8 -","- C48 H32 Br4 Co2 N16 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01015","1.162","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231805","3.70154","0.00003","7.20487","0.00008","16.0004","0.00017","90","","90","","90","","426.716","0.007","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)nickel","catena-dibromo-(3-cyanopyridine)nickel","","- C6 H4 Br2 N2 Ni -","- C6 H4 Br2 N2 Ni -","- C12 H8 Br4 N4 Ni2 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00547","1.282","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231806","27.128","0.005","7.1722","0.0014","3.7881","0.0006","90","","90","","90","","737","0.2","298","","298","","","","","","","","","5","P n n m","-P 2 2n","58","Dibromo-bis(3-cyanopyridine)iron","Catena-dibromo-bis(3-cyanopyridine)iron","","- C12 H8 Br2 Fe N4 -","- C12 H8 Br2 Fe N4 -","- C24 H16 Br4 Fe2 N8 -","2","0.25","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01191","1.127","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231807","3.7274","0.0002","13.574","0.009","13.761","0.006","86.862","0.002","82.401","0.009","82.12","0.001","683.1","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","Dibromo-bis(3-cyanopyridine)nickelat","beta-Catena-dibromo-di(3-cyanopyridine)nickelat","","- C12 H8 Br2 N4 Ni -","- C12 H8 Br2 N4 Ni -","- C24 H16 Br4 N8 Ni2 -","2","1","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.00498","1.737","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231808","3.772","0.002","7.251","0.002","16.31","0.008","90","","90","","90","","446.1","0.3","298","","298","","","","","","","","","5","P m c 21","P 2c -2","26","catena-dibromo-bis(3-cyanopyridine)ferrat","catena-dibromo-(3-cyanopyridine)ferrat","","- C6 H4 Br2 Fe N2 -","- C6 H4 Br2 Fe N2 -","- C12 H8 Br4 Fe2 N4 -","2","0.5","","Heine, Miriam; Fink, Lothar; Schmidt, Martin U.","3-Cyanopyridine as a bridging and terminal ligand in coordination polymers","CrystEngComm","2018","20","46","7556","","10.1039/C8CE01568F","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01075","1.218","","","","","","","has coordinates","287932","2023-12-01","13:55:25",""
"7231809","15.9071","0.0006","20.7468","0.0006","15.6519","0.0006","90","","95.797","0.003","90","","5139","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl N2 O4 -","- C27 H33 Cl N2 O4 -","- C216 H264 Cl8 N16 O32 -","8","2","","Leclaire, Nicolas A.; Li, Musen; Véron, Anna C; Neels, Antonia; Heier, Jakob; Reimers, Jeffrey R.; Nüesch, Frank A","Cyanine platelet single crystals: growth, crystal structure and optical spectra.","Physical chemistry chemical physics : PCCP","2018","20","46","29166","29173","10.1039/c8cp06034g","","","0.71073","MoKα","","0.0846","0.0752","","","0.2129","0.2239","","","","","","1.067","","","","has coordinates,has disorder","230927","2020-10-21","18:00:00",""
"7231810","7.7088","0.0004","13.5358","0.0007","16.1895","0.0009","90","","102.909","0.002","90","","1646.59","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H23 B8 I -","- C9 H23 B8 I -","- C36 H92 B32 I4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil","Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry","RSC Advances","2018","8","67","38238","","10.1039/C8RA06640J","","","0.71073","MoKα","","0.0312","0.0257","","","0.0811","0.0852","","","","","","1.182","","","","has coordinates","211970","2020-10-21","18:00:00",""
"7231811","10.2153","0.0005","12.7603","0.0007","15.3713","0.0009","90","","90","","90","","2003.65","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B8 F3 O3 S -","- C10 H23 B8 F3 O3 S -","- C40 H92 B32 F12 O12 S4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil","Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry","RSC Advances","2018","8","67","38238","","10.1039/C8RA06640J","","","0.71073","MoKα","","0.0434","0.0394","","","0.105","0.1087","","","","","","1.046","","","","has coordinates","211970","2020-10-21","18:00:00",""
"7231812","10.525","0.002","12.498","0.007","13.969","0.006","69.67","0.05","86.47","0.03","73.49","0.03","1650.6","1.4","297","","297","","","","","","","","","4","P -1","-P 1","2","2c","","","- C39 H44 N2 O -","- C39 H44 N2 O -","- C78 H88 N4 O2 -","2","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","1.54178","CuKα","","0.1099","0.0604","","","0.16","0.1951","","","","","","1.052","","","","has coordinates","211971","2020-10-21","18:00:00",""
"7231813","9.9401","0.0014","9.9401","0.0014","19.673","0.004","90","","90","","90","","1943.8","0.6","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","5","","","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C9.5 H11 B0.5 Cl0.5 F2 N -","- C76 H88 B4 Cl4 F16 N8 -","8","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.0437","0.0336","","","0.0862","0.0938","","","","","","1.068","","","","has coordinates","211971","2020-10-21","18:00:00",""
"7231814","9.1627","0.0018","8.6433","0.0017","26.423","0.005","90","","91.17","0.03","90","","2092.2","0.7","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7H+","","","- C19.5 H24 B Cl F4 N2 O -","- C19.5 H24 B Cl F4 N2 O -","- C78 H96 B4 Cl4 F16 N8 O4 -","4","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.0856","0.067","","","0.1712","0.1887","","","","","","1.106","","","","has coordinates,has disorder","211971","2020-10-21","18:00:00",""
"7231815","12.168","0.002","21.152","0.004","6.9588","0.0014","90","","90","","90","","1791","0.6","200","","200","","","","","","","","","4","P n a 21","P 2c -2n","33","2d","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","1","","Tripathi, Monika; Regnier, Vianney; Ziani, Zakaria; Devillard, Marc; Philouze, Christian; Martin, David","Metal free oxidation of vinamidine derivatives: a simple synthesis of α-keto-β-diimine ligands","RSC Advances","2018","8","67","38346","","10.1039/C8RA08220K","","x-ray","0.71073","MoKα","","0.056","0.0451","","","0.1144","0.1241","","","","","","1.06","","","","has coordinates,has disorder","211971","2020-10-21","18:00:00",""
"7231816","9.5902","0.0005","11.1506","0.0005","14.3205","0.0007","90","","90","","90","","1531.38","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Valkute, Tushar R.; Aratikatla, Eswar K.; Gupta, Neha A.; Ganga, S.; Santra, Manas K.; Bhattacharya, Asish K.","Synthesis and anticancer studies of Michael adducts and Heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from Vernonia arborea","RSC Advances","2018","8","67","38289","","10.1039/C8RA06238B","","","0.71073","MoKα","","0.0415","0.0344","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","211972","2020-10-21","18:00:00",""
"7231817","8.5429","0.0001","13.2378","0.0002","13.0463","0.0002","90","","95.0916","0.0006","90","","1469.57","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.043","0.0359","","","0.0936","0.1002","","","","","","1.026","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231818","8.557","0.0001","13.2608","0.0002","13.075","0.0002","90","","95.0428","0.0007","90","","1477.91","0.04","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0434","0.0359","","","0.0932","0.0992","","","","","","1.026","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231819","8.5732","0.0001","13.2867","0.0002","13.1056","0.0002","90","","94.9773","0.0007","90","","1487.22","0.04","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0455","0.0369","","","0.0961","0.1028","","","","","","1.009","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231820","8.5506","0.0001","13.2506","0.0002","13.0615","0.0002","90","","95.062","0.0007","90","","1474.1","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0433","0.036","","","0.0942","0.1007","","","","","","1.044","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231821","8.6122","0.0001","13.346","0.0002","13.1742","0.0002","90","","94.7854","0.0008","90","","1508.94","0.04","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0518","0.0391","","","0.0998","0.1091","","","","","","1.017","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231822","8.5912","0.0001","13.315","0.0002","13.1382","0.0002","90","","94.8947","0.0007","90","","1497.42","0.04","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0473","0.0378","","","0.1","0.1072","","","","","","1.01","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231823","8.2765","0.0001","17.2288","0.0003","10.3944","0.0002","90","","94.9855","0.0006","90","","1476.57","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0451","0.0358","","","0.0884","0.0944","","","","","","1.006","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231824","8.6335","0.0002","13.3739","0.0003","13.2075","0.0002","90","","94.6615","0.0009","90","","1519.94","0.05","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","'3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^ ,2-thiazete-4-carbonitrile'","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0565","0.0413","","","0.1061","0.1169","","","","","","0.992","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231825","8.2852","0.0002","17.2551","0.0003","10.3985","0.0002","90","","94.987","0.0008","90","","1480.96","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.046","0.0358","","","0.09","0.0968","","","","","","1.018","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231826","8.2946","0.0001","17.2836","0.0003","10.4035","0.0002","90","","94.9878","0.0007","90","","1485.8","0.04","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0466","0.0366","","","0.0927","0.0999","","","","","","0.99","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231827","8.3144","0.0001","17.3484","0.0003","10.4141","0.0002","90","","94.9784","0.0007","90","","1496.48","0.04","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0504","0.0373","","","0.0984","0.1078","","","","","","1.004","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231828","8.3607","0.0002","17.4896","0.0003","10.441","0.0002","90","","95.0136","0.0008","90","","1520.9","0.05","260","2","260","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.061","0.0407","","","0.1046","0.1182","","","","","","0.989","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231829","8.3365","0.0001","17.4149","0.0003","10.4268","0.0002","90","","94.9907","0.0008","90","","1508.02","0.04","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0559","0.0394","","","0.1021","0.1142","","","","","","0.993","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231830","8.383","0.0002","17.5599","0.0003","10.4546","0.0002","90","","95.04","0.0009","90","","1533.02","0.05","297","2","297.15","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ^6^,2-thiazete-4-carbonitrile","","- C14 H17 N3 O3 S -","- C14 H17 N3 O3 S -","- C56 H68 N12 O12 S4 -","4","1","","Gionda, Andrea; Macetti, Giovanni; Loconte, Laura; Rizzato, Silvia; Orlando, Ahmed M.; Gatti, Carlo; Lo Presti, Leonardo","A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)","RSC Advances","2018","8","67","38445","","10.1039/C8RA08063A","","","0.71073","MoKα","","0.0702","0.043","","","0.1136","0.1322","","","","","","0.988","","","","has coordinates","211973","2020-10-21","18:00:00",""
"7231831","7.735","0.0003","17.5816","0.0007","11.0299","0.0004","90","","99.364","0.002","90","","1480.01","0.1","174.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F2 N O2 -","- C18 H14 B F2 N O2 -","- C72 H56 B4 F8 N4 O8 -","4","1","","Sóvári, Dénes; Kormos, Attila; Demeter, Orsolya; Dancsó, András; Keserű, György Miklós; Milen, Mátyás; Ábrányi-Balogh, Péter","Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores","RSC Advances","2018","8","67","38598","","10.1039/C8RA08241C","","","1.54187","CuKα","","","0.0507","","","","0.0665","","","","","","6.953","","","","has coordinates","212000","2020-10-21","18:00:00",""
"7231832","12.1184","0.0006","8.1766","0.0004","16.5924","0.0009","90","","93.697","0.003","90","","1640.67","0.14","293.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 B F2 N O3 S -","- C17 H16 B F2 N O3 S -","- C68 H64 B4 F8 N4 O12 S4 -","4","1","","Sóvári, Dénes; Kormos, Attila; Demeter, Orsolya; Dancsó, András; Keserű, György Miklós; Milen, Mátyás; Ábrányi-Balogh, Péter","Synthesis and fluorescent properties of boroisoquinolines, a new family of fluorophores","RSC Advances","2018","8","67","38598","","10.1039/C8RA08241C","","","1.54187","CuKα","","","0.1597","","","","0.1982","","","","","","3.595","","","","has coordinates","212000","2020-10-21","18:00:00",""
"7231833","17.9784","0.0012","11.4346","0.0008","24.4647","0.0017","90","","92.082","0.002","90","","5026","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Cl2 N8 Ni O12 -","- C40 H36 Cl2 N8 Ni O12 -","- C160 H144 Cl8 N32 Ni4 O48 -","4","0.5","","Jiang, Zhi-Qiang; Li, Yu-Feng; Zhu, Xue-Jun; Lu, Jin; Zhang, Lei; Wen, Tian","Ni(ii)-based coordination polymers for efficient electrocatalytic oxygen evolution reaction","RSC Advances","2018","8","67","38562","","10.1039/C8RA07492E","","","0.71073","MoKα","","0.1455","0.1221","","","0.3875","0.4153","","","","","","1.265","","","","has coordinates","212001","2020-10-21","18:00:00",""
"7231849","12.85","0.004","18.906","0.006","61.98","0.03","90","","90","","90","","15058","10","293","2","293.15","","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C32 H16 Cd N2 O10 -","- C32 H16 Cd N2 O8 -","- C512 H256 Cd16 N32 O128 -","16","","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0453","0.0313","","","0.0752","0.0797","","","","","","1.03","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231850","11.9979","0.0014","17.366","0.002","17.573","0.002","83.274","0.005","75.95","0.005","82.588","0.004","3508.2","0.7","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H45 N4 O22 Sr3 -","- C64 H45 N4 O22 Sr3 -","- C128 H90 N8 O44 Sr6 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.036","0.0293","","","0.0809","0.0847","","","","","","1.041","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231851","10.124","0.002","11.22","0.002","15.33","0.003","96.448","0.004","108.756","0.007","98.885","0.007","1604.5","0.5","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 Ce N2 O9 -","- C32 H19 Ce N2 O9 -","- C64 H38 Ce2 N4 O18 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0245","0.022","","","0.0731","0.0742","","","","","","1.226","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231852","9.9328","0.0007","11.8804","0.0009","14.8808","0.001","84.722","0.003","72.677","0.003","87.758","0.003","1669.1","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 N2 O8 Pb2 -","- C32 H16 N2 O8 Pb2 -","- C64 H32 N4 O16 Pb4 -","2","1","","wang, tao; Huang, Kun; Peng, Mengni; Li, Xianglin; Han, Defang; jing, linhai; Qin, Dabin","Metal-Organic Frameworks Based on Tetraphenylpyrazine Derived Tetracarboxylic Acid for Electrocatalytic Hydrogen Evolution Reaction and NACs Sensing","CrystEngComm","2018","","","","","10.1039/C8CE01868E","","","0.71073","MoKα","","0.0406","0.0282","","","0.0675","0.0729","","","","","","1.074","","","","has coordinates","212093","2020-10-21","18:00:00",""
"7231853","6.9631","0.001","10.2646","0.0014","11.2511","0.0015","74.472","0.006","81.297","0.006","70.974","0.006","730.66","0.18","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","2","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.0447","0.0382","","","0.0908","0.0955","","","","","","1.038","","","","has coordinates","212128","2020-10-21","18:00:00",""
"7231854","10.056","0.0004","8.2456","0.0004","17.0806","0.0008","90","","90.025","0.002","90","","1416.28","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H52 O6 -","- C30 H52 O6 -","- C60 H104 O12 -","2","1","","Zhang, Jiaozhen; Wang, Yongjie; Zhu, Rongxiu; Li, Yi; Li, Yuelan; Qiao, Yanan; Zhou, Jinchuan; Lou, Hongxiang","Cyperane and eudesmane-type sesquiterpenoids from Chinese liverwort and their anti-diabetic nephropathy potential","RSC Advances","2018","8","68","39091","","10.1039/C8RA08125E","","","1.54178","CuKα","","0.1536","0.1302","","","0.3005","0.3291","","","","","","1.243","","","","has coordinates","212128","2020-10-21","18:00:00",""
"7231855","7.7798","0.0004","17.9098","0.0012","12.7302","0.0008","90","","94.587","0.0019","90","","1768.08","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H31 N O2 -","- C19 H31 N O2 -","- C76 H124 N4 O8 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0563","0.0435","","","0.1069","0.1207","","","","","","1.028","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231856","12.8375","0.0008","8.1485","0.0005","20.2456","0.0012","90","","90.298","0.002","90","","2117.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0637","0.0457","","","0.1167","0.1359","","","","","","1.018","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231857","7.1185","0.0005","13.5982","0.001","15.5981","0.0008","90","","93.308","0.005","90","","1507.36","0.17","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.1346","0.0629","","","0.1588","0.2042","","","","","","0.999","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231858","8.3151","0.0005","11.9751","0.0008","17.8122","0.0011","90","","97.805","0.001","90","","1757.2","0.19","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0518","0.0419","","","0.1349","0.1517","","","","","","0.762","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231859","13.4519","0.0006","7.3467","0.0003","24.5273","0.0013","90","","98.731","0.004","90","","2395.87","0.19","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O4 -","- C24 H23 N O4 -","- C96 H92 N4 O16 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.1159","0.075","","","0.2203","0.2542","","","","","","1.031","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231860","9.856","0.0012","17.574","0.002","14.1176","0.0015","90","","93.648","0.004","90","","2440.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Hsieh, Wan-Chi; Lin, Chi-Hui; Yang, Yu-Ju; Yang, Ding-Yah","Multicomponent synthesis of pyrano[2,3-c]coumarins","RSC Advances","2018","8","68","39162","","10.1039/C8RA06666C","","x-ray","0.71073","MoKα","","0.0751","0.0487","","","0.1187","0.1427","","","","","","1.025","","","","has coordinates","212129","2020-10-21","18:00:00",""
"7231861","20.549","0.003","20.549","0.003","15.79","0.003","90","","90","","90","","6667.5","1.9","190","2","189.99","","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C72 H62 Cl Co4 N6 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.25","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0944","0.0509","","","0.0948","0.1091","","","","","","1.037","","","","has coordinates,has disorder","212173","2020-10-21","18:00:00",""
"7231862","11.5257","0.0002","21.7684","0.0004","20.6414","0.0004","90","","92.715","0.001","90","","5173.03","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C76 H74 Cl Fe4 N7 O12 S4 -","- C72 H62 Cl Fe4 N6 O12 S4 -","- C144 H124 Cl2 Fe8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0643","0.0446","","","0.1123","0.122","","","","","","0.946","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7231863","11.5232","0.0002","21.9302","0.0004","20.4472","0.0004","90","","93.037","0.001","90","","5159.87","0.16","190","2","190","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","[Co4 Cl (C40 H44 S4 O4) (C16 H9 N3 O4)2](CH3)4N","","","- C76 H74 Cl Co4 N7 O12 S4 -","- C72 H62 Cl Co4 N6 O12 S4 -","- C144 H124 Cl2 Co8 N12 O24 S8 -","2","0.5","","Zhu, Xiaofei; Wang, Shentang; Han, Haitao; Liao, Wuping","Organoamine-induced isomerism of calixarene-based complexes: from 1D to 2D","RSC Advances","2018","8","68","39208","","10.1039/C8RA07833E","","","1.54178","CuKα","","0.0522","0.0378","","","0.087","0.0925","","","","","","1.013","","","","has coordinates","212173","2020-10-21","18:00:00",""
"7231866","12.5444","0.0015","13.067","0.0014","16.8159","0.0019","109.48","0.013","95.962","0.014","101.912","0.014","2497.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(PPh4)4 (Re6S8(CN)6) (CH3CN)2","","","- C106 H86 N8 P4 Re6 S8 -","- C106 H86 N8 P4 Re6 S8 -","- C106 H86 N8 P4 Re6 S8 -","1","0.5","","Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing","Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.","Physical chemistry chemical physics : PCCP","2018","20","48","30297","30303","10.1039/c8cp06363j","","","0.71073","MoKα","","0.0519","0.0296","","","0.0514","0.0544","","","","","","0.801","","","","has coordinates","230931","2020-10-21","18:00:00",""
"7231867","14.087","0.002","14.087","0.002","10.146","0.001","90","","90","","120","","1743.7","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Tm -","- F4 K Tm -","- F72 K18 Tm18 -","18","6","","Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing","Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.","Physical chemistry chemical physics : PCCP","2018","20","48","30297","30303","10.1039/c8cp06363j","","x-ray","0.4","","","0.031","0.0301","","","0.0385","0.0386","","","","1.73","1.73","1.71","","","","has coordinates","230931","2020-10-21","18:00:00",""
"7231868","8.3599","0.0003","5.7208","0.0002","17.7679","0.0007","90","","96.344","0.001","90","","844.55","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F4 I2 N2 -","- C16 H8 F4 I2 N2 -","- C32 H16 F8 I4 N4 -","2","0.5","","Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing","Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.","Physical chemistry chemical physics : PCCP","2018","20","48","30297","30303","10.1039/c8cp06363j","","","0.71073","MoKα","","0.0407","0.0321","","","0.0744","0.0791","","","","","","1.063","","","","has coordinates","230931","2020-10-21","18:00:00",""
"7231869","10.0768","0.0004","7.6435","0.0003","14.9092","0.0005","90","","93.245","0.001","90","","1146.5","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F10 I2 N2 -","- C22 H8 F10 I2 N2 -","- C44 H16 F20 I4 N4 -","2","0.5","","Li, Aisen; Wang, Jing; Liu, Yingjie; Xu, Shuping; Chu, Ning; Geng, Yijia; Li, Bao; Xu, Bin; Cui, Haining; Xu, Weiqing","Remarkable pressure-induced emission enhancement based on intermolecular charge transfer in halogen bond-driven dual-component co-crystals.","Physical chemistry chemical physics : PCCP","2018","20","48","30297","30303","10.1039/c8cp06363j","","","0.71073","MoKα","","0.0682","0.0345","","","0.0609","0.0752","","","","","","1.038","","","","has coordinates","230931","2020-10-21","18:00:00",""
"7231870","11.1924","0.0005","7.6769","0.0002","13.6278","0.0006","90","","92.252","0.004","90","","1170.04","0.08","297","2","297","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C36 H56 Cd2 N20 -","- C36 H56 Cd2 N20 -","- C36 H56 Cd2 N20 -","1","0.25","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam","Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.","Physical chemistry chemical physics : PCCP","2018","20","47","29951","29958","10.1039/c8cp06190d","","x-ray","0.71073","MoKα","","0.0672","0.0427","","","0.0784","0.0888","","","","","","1.103","","","","has coordinates","230930","2020-10-21","18:00:00",""
"7231871","10.9243","0.0003","15.2819","0.0003","13.7228","0.0003","90","","93.079","0.002","90","","2287.63","0.09","119.7","0.5","119.7","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cd N10 -","- C18 H28 Cd N10 -","- C72 H112 Cd4 N40 -","4","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam","Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.","Physical chemistry chemical physics : PCCP","2018","20","47","29951","29958","10.1039/c8cp06190d","","x-ray","0.71073","MoKα","","0.031","0.0222","","","0.0465","0.0497","","","","","","1.039","","","","has coordinates","230930","2020-10-21","18:00:00",""
"7231872","16.2757","0.0002","16.2757","0.0002","17.5837","0.0004","90","","90","","90","","4657.89","0.13","297","2","297","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Cd N10 -","- C18 H7 Cd N10 -","- C144 H56 Cd8 N80 -","8","1","","Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Stefańska, Dagmara; Sieradzki, Adam","Temperature-dependent studies of a new two-dimensional cadmium dicyanamide framework exhibiting an unusual temperature-induced irreversible phase transition into a three-dimensional perovskite-like framework.","Physical chemistry chemical physics : PCCP","2018","20","47","29951","29958","10.1039/c8cp06190d","","","0.7107","MoKα","","0.1942","0.0797","","","0.1098","0.1387","","","","","","1.083","","","","has coordinates","230930","2020-10-21","18:00:00",""
"7231873","19.53","0.002","6.034","0.0005","21.523","0.002","90","","105.189","0.002","90","","2447.8","0.4","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br Cl2 F3 N5 O S2 -","- C22 H15 Br Cl2 F3 N5 O S2 -","- C88 H60 Br4 Cl8 F12 N20 O4 S8 -","4","1","","Wu, Qi-Fan; Zhao, Bin; Fan, Zhi-Jin; Zhao, Jia-Bao; Guo, Xiao-Feng; Yang, Dong-Yan; Zhang, Nai-Lou; Yu, Bin; Kalinina, Tatiana; Glukhareva, Tatiana","Design, synthesis and fungicidal activity of isothiazole‒thiazole derivatives","RSC Advances","2018","8","69","39593","","10.1039/C8RA07619G","","","0.71073","MoKα","","0.0397","0.0309","","","0.082","0.0845","","","","","","1.047","","","","has coordinates","212194","2020-10-21","18:00:00",""
"7231874","5.8865","0.0002","14.2293","0.0007","16.8469","0.0008","75.358","0.004","87.692","0.003","82.114","0.004","1352.35","0.11","296.4","0.7","296.4","0.7","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N8 O9 -","- C25 H25 N9 O9 -","- C50 H50 N18 O18 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0649","0.0561","","","0.1539","0.1672","","","","","","1.031","","","","has coordinates","212195","2020-10-21","18:00:00",""
"7231875","7.124","0.0004","12.8626","0.0005","16.043","0.0007","95.365","0.004","90.472","0.004","101.742","0.004","1432.44","0.12","296.31","0.1","296.31","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29.41 N9 O9.5 -","- C27 H28.222 N9 O9.5 -","- C54 H56.444 N18 O19 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0881","0.0751","","","0.2198","0.2378","","","","","","1.035","","","","has coordinates,has disorder","212195","2020-10-21","18:00:00",""
"7231876","10.7261","0.0005","12.0465","0.0006","14.5821","0.0005","83.686","0.003","74.878","0.004","79.38","0.004","1783.97","0.14","296.31","0.1","296.31","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 N9 O10 S -","- C27 H31 N9 O10 S -","- C54 H62 N18 O20 S2 -","2","1","","Wang, Ruyu; Shu, Xi; Fan, Yu; Li, Shoujian; Jin, Yongdong; Huang, Chao","Visible colorimetric fluoride and hydroxide sensing by asymmetric tris-urea receptors: combined experimental and theoretical studies","RSC Advances","2018","8","69","39394","","10.1039/C8RA07495J","","x-ray","1.54184","CuKα","","0.0735","0.0644","","","0.1897","0.2026","","","","","","1.057","","","","has coordinates,has disorder","212195","2020-10-21","18:00:00",""
"7231877","35.48","0.03","14.931","0.011","8.852","0.006","90","","99.42","0.02","90","","4626","6","103","0.2","103","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H11 F12 N2 -","- C26 H11 F12 N2 -","- C208 H88 F96 N16 -","8","1","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.1687","0.0988","","","0.2209","0.2659","","","","","","1.031","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231878","9.235","0.016","9.638","0.017","11.86","0.02","78.93","0.03","76.86","0.05","73.21","0.04","975","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H32 Cl6 N4 -","- C46 H32 Cl6 N4 -","- C46 H32 Cl6 N4 -","1","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0964","0.0618","","","0.1379","0.1604","","","","","","1.107","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231879","8.7406","0.0011","15.369","0.002","16.406","0.002","90","","103.303","0.004","90","","2144.8","0.5","103","0.2","103","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 N4 -","- C52 H46 N4 -","- C104 H92 N8 -","2","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0853","0.0611","","","0.1608","0.1848","","","","","","1.095","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231880","8.4081","0.0006","13.0237","0.0009","17.9996","0.0012","90","","103.022","0.002","90","","1920.4","0.2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Cl2 F8 N4 -","- C45.586 H25.172 Cl1.586 F8 N4 -","- C91.172 H50.344 Cl3.172 F16 N8 -","2","0.5","","Ono, Toshikazu; Xu, Ning; Koga, Daiki; Ideo, Toshihiro; Sugimoto, Manabu; Hisaeda, Yoshio","Gram-scale synthesis of porphycenes through acid-catalyzed oxidative macrocyclizations of E/Z-mixed 5,6-diaryldipyrroethenes","RSC Advances","2018","8","69","39269","","10.1039/C8RA09040H","","","0.71073","MoKα","","0.0826","0.0566","","","0.1432","0.1716","","","","","","1.073","","","","has coordinates","212196","2020-10-21","18:00:00",""
"7231894","15.934","0.002","15.934","0.002","12.007","0.002","90","","90","","90","","3048.5","0.7","293","1","293","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C32 H30 N2 O4 Ti -","- C32 H30 N2 O4 Ti -","- C128 H120 N8 O16 Ti4 -","4","0.5","","Miller, Maya; Tshuva, Edit Y.","Racemic <i>vs.</i> enantiopure inert Ti(iv) complex of a single diaminotetrakis(phenolato) ligand in anticancer activity toward human drug-sensitive and -resistant cancer cell lines.","RSC advances","2018","8","69","39731","39734","10.1039/c8ra08925f","","","0.71073","MoKα","","0.0726","0.071","","","0.1658","0.1666","","","","","","1.367","","","","has coordinates","230972","2020-10-21","18:00:00",""
"7231895","12.36164","0.00016","20.0007","0.0002","7.3527","0.00009","90","","102.617","0.0013","90","","1773.99","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N5 O3 -","- C20 H16 F N5 O3 -","- C80 H64 F4 N20 O12 -","4","1","","Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad","1,2,3-Triazole‒quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent","RSC Advances","2018","8","69","39611","","10.1039/C8RA08426B","","x-ray","1.54184","CuKα","","0.0436","0.0399","","","0.1031","0.1074","","","","","","1.051","","","","has coordinates","212218","2020-10-21","18:00:00",""
"7231896","11.30704","0.00018","10.56186","0.00012","11.46113","0.00018","90","","115.006","0.0019","90","","1240.43","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Masood, Mir Mohammad; Irfan, Mohammad; Khan, Parvez; Alajmi, Mohamed F.; Hussain, Afzal; Garrison, Jered; Rehman, Md. Tabish; Abid, Mohammad","1,2,3-Triazole‒quinazolin-4(3H)-one conjugates: evolution of ergosterol inhibitor as anticandidal agent","RSC Advances","2018","8","69","39611","","10.1039/C8RA08426B","","x-ray","1.54184","CuKα","","0.0488","0.0427","","","0.1155","0.1237","","","","","","1.037","","","","has coordinates,has disorder","212218","2020-10-21","18:00:00",""
"7231897","12.3071","0.0007","19.3724","0.0009","8.0124","0.0004","90","","90","","90","","1910.3","0.17","170","2","170","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Anees, M.; Nayak, S.; Afarinkia, K.; Vinader, V.","Control of the stereochemistry of C14 hydroxyl during the total synthesis of withanolide E and physachenolide C","RSC Advances","2018","8","69","39691","","10.1039/C8RA08540D","","","1.54178","CuKα","","0.0387","0.0363","","","0.0897","0.0915","","","","","","1.049","","","","has coordinates","212219","2020-10-21","18:00:00",""
"7231900","6.0888","0.0008","12.5645","0.0017","17.867","0.002","90","","90","","90","","1366.9","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji","Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex","RSC Advances","2018","8","70","39865","","10.1039/C8RA09212E","","x-ray","0.71075","MoKα","","0.0228","0.0207","","","0.0481","0.0488","","","","","","0.991","","","","has coordinates","212240","2020-10-21","18:00:00",""
"7231904","11.1087","0.0011","22.604","0.002","12.1637","0.0012","90","","109.349","0.005","90","","2881.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-2-((1H-pyrrol-2-yl)methyleneamino)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one","","- C33 H35 N5 O2 -","- C33 H35 N5 O2 -","- C132 H140 N20 O8 -","4","1","","Sarkar, Himadri Sekhar; Kundu, Shampa; Das, Sujoy; Maiti, Pulak Kumar; Mandal, Sukhendu; Sahoo, Prithidipa","2′-Deoxy-5-(hydroxymethyl)cytidine: estimation in human cancer cells with a simple chemosensor","RSC Advances","2018","8","70","39893","","10.1039/C8RA08391F","","","0.71073","MoKα","","0.1011","0.072","","","0.2089","0.2456","","","","","","1.671","","","","has coordinates","212253","2020-10-21","18:00:00",""
"7231910","9.7858","0.0003","9.3797","0.0002","21.3172","0.0005","90","","100.777","0.003","90","","1922.15","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H24 N8 Zn -","- C48 H24 N8 Zn -","- C96 H48 N16 Zn2 -","2","0.5","","Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng","Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand","RSC Advances","2018","8","70","40054","","10.1039/C8RA08338J","","","0.71073","MoKα","","0.0543","0.0446","","","0.1323","0.1403","","","","","","1.06","","","","has coordinates","212275","2020-10-21","18:00:00",""
"7231911","33.5945","0.0006","17.1635","0.0002","15.368","0.0002","90","","93.849","0.001","90","","8841.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 Cu N10 O2 -","- C48 H24 Cu N8 -","- C384 H192 Cu8 N64 -","8","2","","Huang, Zhaodi; Zhang, Meixi; Lin, Huan; Ding, Shuo; Dong, Bin; Liu, Di; Wang, Hong; Dai, Fangna; Sun, Daofeng","Comparison of two water oxidation electrocatalysts by copper or zinc supermolecule complexes based on porphyrin ligand","RSC Advances","2018","8","70","40054","","10.1039/C8RA08338J","","","1.54184","CuKα","","0.1328","0.1025","","","0.3421","0.3772","","","","","","1.132","","","","has coordinates","212275","2020-10-21","18:00:00",""
"7231947","10.3266","0.0002","10.3266","0.0002","10.3266","0.0002","90","","90","","90","","1101.21","0.04","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.7 Na8 Si40.3 -","- Ga5.7 Na8 Si40.3 -","- Ga5.7 Na8 Si40.3 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0125","0.0118","","","0.0304","0.0309","","","","","","1.153","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231948","10.321","0.0004","10.321","0.0004","10.321","0.0004","90","","90","","90","","1099.42","0.07","302","2","302","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.39 Na8 Si40.61 -","- Ga5.388 Na8 Si40.612 -","- Ga5.388 Na8 Si40.612 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.019","0.0176","","","0.0427","0.0442","","","","","","1.248","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231949","10.321","0.0003","10.321","0.0003","10.321","0.0003","90","","90","","90","","1099.42","0.06","302","2","302","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.52 Na8 Si40.48 -","- Ga5.52 Na8 Si40.48 -","- Ga5.52 Na8 Si40.48 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0127","0.012","","","0.0307","0.0311","","","","","","1.214","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231950","10.302","0.0002","10.302","0.0002","10.302","0.0002","90","","90","","90","","1093.36","0.04","300","2","300","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga4.94 Na8 Si41.06 -","- Ga4.9416 Na8 Si41.0584 -","- Ga4.9416 Na8 Si41.0584 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0102","0.01","","","0.0269","0.0269","","","","","","1.296","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231951","10.309","0.0002","10.309","0.0002","10.309","0.0002","90","","90","","90","","1095.59","0.04","300","2","300","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","Type I silicon-gallium clathrate","sodium gallium silicon","","- Ga5.06 Na8 Si40.94 -","- Ga5.064 Na8 Si40.936 -","- Ga5.064 Na8 Si40.936 -","1","0.0208333","","Urushiyama, Hironao; Morito, Haruhiko; Yamane, Hisanori; Terauchi, Masami","Na‒Ga‒Si type-I clathrate single crystals grown via Na evaporation using Na‒Ga and Na‒Ga‒Sn fluxes","RSC Advances","2018","8","71","40505","","10.1039/C8RA07971D","","","0.71073","MoKα","","0.0108","0.0106","","","0.0299","0.03","","","","","","1.232","","","","has coordinates","212372","2020-10-21","18:00:00",""
"7231955","8.3302","0.0009","23.634","0.003","12.8113","0.0014","90","","90","","90","","2522.2","0.5","296","2","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H20 Cr N2 O7 S -","- C29 H20 Cr N2 O7 S -","- C116 H80 Cr4 N8 O28 S4 -","4","0.5","","Tang, Jie; Yao, Pengfei; Wang, Lina; Bian, Hedong; Luo, Meiyi; Huang, Fuping","Schiff base complex conjugates of bovine serum albumin as artificial metalloenzymes for eco-friendly enantioselective sulfoxidation","RSC Advances","2018","8","71","40720","","10.1039/C8RA07113F","","","0.71073","MoKα","","0.0758","0.0476","","","0.1251","0.137","","","","","","1.061","","","","has coordinates","212396","2020-10-21","18:00:00",""
"7231956","9.7759","0.0006","14.3497","0.0009","10.8895","0.0007","90","","101.452","0.002","90","","1497.18","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4F-Fluorobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 F N3 O3 -","- C17 H16 F N3 O3 -","- C68 H64 F4 N12 O12 -","4","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0609","0.0478","","","0.1175","0.1289","","","","","","1.084","","","","has coordinates","212431","2020-10-21","18:00:00",""
"7231957","6.575","0.0004","10.4009","0.0007","11.2622","0.0007","90","","101.313","0.002","90","","755.21","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N'-Bis-(4F-fluorobenzoyl)-piperazine","","- C18 H16 F2 N2 O2 -","- C18 H16 F2 N2 O2 -","- C36 H32 F4 N4 O4 -","2","0.5","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0879","0.0492","","","0.1326","0.1647","","","","","","1.067","","","","has coordinates","212431","2020-10-21","18:00:00",""
"7231958","7.842","0.003","25.3","0.009","8.024","0.003","90","","94.67","0.01","90","","1586.7","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Bromobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 Br N3 O3 -","- C17 H16 Br N3 O3 -","- C68 H64 Br4 N12 O12 -","4","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0929","0.0598","","","0.098","0.1067","","","","","","1.079","","","","has coordinates,has disorder","212431","2020-10-21","18:00:00",""
"7231959","17.379","0.002","11.788","0.002","17.806","0.002","90","","116.727","0.007","90","","3258.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(4-Bromobenzoyl)-4-(4-nitrophenyl)piperazine","","- C17 H16 Br N3 O3 -","- C17 H16 Br N3 O3 -","- C136 H128 Br8 N24 O24 -","8","1","","Wodtke, Robert; Steinberg, Janine; Köckerling, Martin; Löser, Reik; Mamat, Constantin","NMR-based investigations of acyl-functionalized piperazines concerning their conformational behavior in solution","RSC Advances","2018","8","71","40921","","10.1039/C8RA09152H","","","0.71073","MoKα","","0.0886","0.0387","","","0.0802","0.0964","","","","","","1.002","","","","has coordinates","212431","2020-10-21","18:00:00",""
"7231960","7.6209","0.0015","12.073","0.002","21.125","0.004","90","","96.86","0.03","90","","1929.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C88 H68 N12 O12 S4 -","4","1","","Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao","Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides","RSC Advances","2018","8","71","40798","","10.1039/C8RA08881K","","","0.71073","MoKα","","0.0846","0.0732","","","0.1259","0.1307","","","","","","1.225","","","","has coordinates","212432","2020-10-21","18:00:00",""
"7231961","8.2461","0.0016","10.3","0.002","12.879","0.003","104.17","0.03","99.94","0.03","105.52","0.03","988.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O3 S -","- C22 H17 N3 O3 S -","- C44 H34 N6 O6 S2 -","2","1","","Lin, Yan; Wang, Qijun; Wu, Yang; Wang, Chang; Jia, Hao; Zhang, Cheng; Huang, Jiaxing; Guo, Hongchao","Pd-catalyzed [3 + 2] cycloaddition of vinylcyclopropanes with 1-azadienes: synthesis of 4-cyclopentylbenzo[e][1,2,3]oxathiazine 2,2-dioxides","RSC Advances","2018","8","71","40798","","10.1039/C8RA08881K","","","0.71073","MoKα","","0.0642","0.0567","","","0.1206","0.1254","","","","","","1.101","","","","has coordinates","212432","2020-10-21","18:00:00",""
"7231970","22.672","0.002","14.2171","0.0016","6.8368","0.0006","90","","90","","90","","2203.7","0.4","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Ganesan, Balaji; Senadi, Gopal Chandru; Guo, Bing-Chun; Hung, Min-Yuan; Lin, Wei-Yu","A copper(ii)-catalyzed annulative formylation of o-alkynylanilines with DMF: a single-step strategy for 3-formyl indoles","RSC Advances","2018","8","71","40968","","10.1039/C8RA09214A","","x-ray","0.71073","MoKα","","0.0749","0.0519","","","0.1215","0.1344","","","","","","1.031","","","","has coordinates","212488","2020-10-21","18:00:00",""
"7231985","13.638","0.003","13.638","0.003","11.428","0.003","90","","90","","90","","2125.6","0.9","296.15","","296.15","","","","","","","","","6","I 41/a m d","-I 4bd 2","141","","","","- C8 H4 Cu3 N16 Na O4 -","- C8 H4 Cu3 N16 Na O4 -","- C32 H16 Cu12 N64 Na4 O16 -","4","","","Lu, Jack; Zhang, Sheng; Wu, Shuo; Zhang, Wendou; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li","A 3D solvent-free energetic metal-organic framework (EMOF) achieved by removing inclusion molecules from a new coordination polymer","CrystEngComm","2018","","","","","10.1039/C8CE01803K","","","0.71073","MoKα","","0.0764","0.0534","","","0.1657","0.1803","","","","","","1.16","","","","has coordinates","212561","2020-10-21","18:00:00",""
"7231996","23.712","0.002","9.1025","0.0008","10.4517","0.0009","90","","105.353","0.001","90","","2175.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(1<i>E</i>)-[(2<i>Z</i>)-2-[(ethylsulfanyl)({[(1<i>E</i>)-(ethylsulfanyl)[(<i>Z</i>)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-ylidene]methyl]disulfanyl})methylidene]hydrazin-1-ylidene]methyl]phenol","","- C20 H22 N4 O2 S4 -","- C20 H22 N4 O2 S4 -","- C80 H88 N16 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0507","0.0378","","","0.0933","0.097","","","","","","1.079","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7231997","8.5293","0.0004","9.3173","0.0005","12.6067","0.0006","100.635","0.001","108.831","0.001","94.334","0.001","922.06","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H16 Cl2 N2 O2 S3 Sn -","- C12 H16 Cl2 N2 O2 S3 Sn -","- C24 H32 Cl4 N4 O4 S6 Sn2 -","2","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0369","0.0291","","","0.0624","0.0632","","","","","","0.917","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7231998","7.7957","0.0007","24.197","0.002","12.3003","0.001","90","","101.157","0.001","90","","2276.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N4 O2 S4 Sn -","- C20 H20 N4 O2 S4 Sn -","- C80 H80 N16 O8 S16 Sn4 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0413","0.0351","","","0.1012","0.1032","","","","","","1.146","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7231999","7.7764","0.001","24.056","0.003","12.1308","0.0015","90","","104.462","0.002","90","","2197.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Mn N4 O2 S4 -","- C20 H20 Mn N4 O2 S4 -","- C80 H80 Mn4 N16 O8 S16 -","4","0.5","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.052","0.0399","","","0.1065","0.1104","","","","","","1.099","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232000","8.0281","0.0017","10.127","0.002","11.104","0.002","110.554","0.003","110.25","0.003","94.785","0.003","771.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 N2 O4 S2 V -","- C12 H17 N2 O4 S2 V -","- C24 H34 N4 O8 S4 V2 -","2","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0634","0.0464","","","0.1225","0.1311","","","","","","1.026","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232001","10.0788","0.0008","9.8639","0.0008","14.4725","0.0011","90","","90.69","0.001","90","","1438.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Mo N2 O4 S2 -","- C11 H14 Mo N2 O4 S2 -","- C44 H56 Mo4 N8 O16 S8 -","4","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0341","0.0278","","","0.0733","0.0752","","","","","","1.083","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232002","18.999","0.011","8.978","0.005","23.512","0.014","90","","90","","90","","4011","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 I2 N3 O2 S2 Sn -","- C13 H17 I2 N3 O2 S2 Sn -","- C104 H136 I16 N24 O16 S16 Sn8 -","8","1","","Yekke-ghasemi, Zahra; Takjoo, Reza; Ramezani, Mohammad; Mague, Joel T.","Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies","RSC Advances","2018","8","73","41795","","10.1039/C8RA07100D","","","0.71073","MoKα","","0.0497","0.0362","","","0.0844","0.0884","","","","","","1.081","","","","has coordinates","212608","2020-10-21","18:00:00",""
"7232003","7.3596","0.0003","9.2464","0.0006","14.1726","0.0005","104.253","0.004","90.749","0.003","111.461","0.005","864.24","0.08","293","","293","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C15 H18 N4 O4 S -","- C15 H18 N4 O4 S -","- C30 H36 N8 O8 S2 -","2","1","","Khan, M. Musawwer; Saigal, Saigal; Khan, Sarfaraz; Shareef, Sumbulunnisan; Sahoo, Subash C.","Microwave irradiation: a green approach for the synthesis of functionalized N-methyl-1,4-dihydropyridines","RSC Advances","2018","8","73","41892","","10.1039/C8RA09155B","","x-ray","0.71073","MoKα","","0.0618","0.048","","","0.1331","0.1447","","","","","","1.0504","","","","has coordinates","212609","2020-10-21","18:00:00",""
"7232023","9.6682","0.0006","10.0302","0.0006","10.911","0.0007","104.893","0.002","93.675","0.002","110.003","0.002","947.3","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Gd2 N2 O21","","","- C24 H40 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","- C24 H30 Cl2 Gd2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0184","0.0164","","","0.0427","0.0436","","","","","","1.061","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232024","9.6686","0.0006","10.0202","0.0004","10.8727","0.0004","104.824","0.003","93.71","0.005","109.569","0.005","946.31","0.09","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Eu2 N2 O21","","","- C24 H40 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","- C24 H30 Cl2 Eu2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0723","0.0603","","","0.1298","0.1427","","","","","","1.052","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232025","9.6763","0.0004","10.0338","0.0004","10.9853","0.0005","105.072","0.003","93.691","0.003","110.107","0.004","953.1","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 N2 O21 Tb2","","","- C24 H40 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","- C24 H26 Cl2 N2 O21 Tb2 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0505","0.0415","","","0.0804","0.0865","","","","","","1.06","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232026","9.6947","0.0004","10.0533","0.0005","11.0032","0.0007","105.039","0.005","93.823","0.004","110.052","0.004","958.48","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","C24 H40 Cl2 Dy2 N2 O21","","","- C24 H40 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","- C24 H30 Cl2 Dy2 N2 O21 -","1","1","","Wang, Wenbo; Wang, Ruiying; Ge, Yafang; Wu, Benlai","Color tuning and white light emission by codoping in isostructural homochiral lanthanide metal‒organic frameworks","RSC Advances","2018","8","73","42100","","10.1039/C8RA06793G","","","0.71073","MoKα","","0.0565","0.0467","","","0.084","0.0922","","","","","","1.051","","","","has coordinates","212651","2020-10-21","18:00:00",""
"7232028","23.9678","0.0004","11.62457","0.00018","12.7424","0.0002","90","","90","","90","","3550.23","0.1","113.15","","113.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H17 Fe2 O5 P S2 -","- C12 H17 Fe2 O5 P S2 -","- C96 H136 Fe16 O40 P8 S16 -","8","1","","Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao","The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction","RSC Advances","2018","8","74","42262","","10.1039/C8RA08016J","","x-ray","0.71073","MoKα","","0.017","0.0157","","","0.041","0.0415","","","","","","1.034","","","","has coordinates","212672","2020-10-21","18:00:00",""
"7232029","11.163","0.002","14.887","0.003","23.086","0.004","90","","98.118","0.003","90","","3798.1","1.2","128","2","128","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 Fe2 O8 P S2 -","- C12 H17 Fe2 O8 P S2 -","- C96 H136 Fe16 O64 P8 S16 -","8","1","","Zhang, Xia; Ma, Xiaoyuan; Zhang, Tianyong; Li, Bin; Jiang, Shuang; Zhang, Guanghui; Hai, Li; Wang, Jingchao; Shao, Xiao","The influence of phosphine ligand substituted [2Fe2S] model complexes as electro-catalyst on proton reduction","RSC Advances","2018","8","74","42262","","10.1039/C8RA08016J","","","0.71073","MoKα","","0.0768","0.0754","","","0.2036","0.2048","","","","","","1.078","","","","has coordinates,has disorder","212672","2020-10-21","18:00:00",""
"7233967","12.9559","0.0011","13.1179","0.0011","13.9892","0.0012","84.578","0.001","89.75","0.001","64.391","0.001","2132.6","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","- C60 H48 Cu5 Mo10 N16 O42 P V4 -","1","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0491","0.038","","","0.0932","0.0993","","","","","","1.032","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233968","22.416","0.005","13.164","0.003","22.722","0.005","90","","105.03","0.03","90","","6476","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H46 Cu3 Mo8 N8 O45 P V6 -","- C36 H40 Cu3 Mo8 N8 O45 P V6 -","- C144 H160 Cu12 Mo32 N32 O180 P4 V24 -","4","0.5","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.0565","0.049","","","0.1305","0.1353","","","","","","1.074","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7233969","17.1154","0.0005","19.6453","0.0006","27.0729","0.0006","90","","100.26","0.002","90","","8957.4","0.4","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Cl Cu4 Mo9 N12 O50 P V5 -","- C62 H48 Cl Cu4 Mo9 N12 O50 P V5 -","- C248 H192 Cl4 Cu16 Mo36 N48 O200 P4 V20 -","4","1","","Xiao, Li-Na; Zhao, Chun-Xiang; Shi, Xiao-Ming; Zhang, Hao; Wu, Wen; Cui, Xiao-Bing","Three new compounds based on similar molybdenum‒vanadium clusters and several types of copper complexes","CrystEngComm","2018","20","7","969","977","10.1039/c7ce01908d","","","0.71073","MoKα","","0.1099","0.0477","","","0.111","0.1447","","","","","","1.029","","","","has coordinates","218553","2020-10-21","18:00:00",""
"7235070","5.7721","0.0007","12.3373","0.0015","24.977","0.003","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0319","0.0275","","","0.0626","0.0648","","","","","","1.045","","","","has coordinates","227779","2020-10-21","18:00:00",""
"7235071","11.8073","0.0017","5.8122","0.0008","13.3488","0.0019","90","","97.844","0.002","90","","907.5","0.2","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H18 F3 N3 O4 -","- C18 H18 F3 N3 O4 -","- C36 H36 F6 N6 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0568","0.0514","","","0.1364","0.1409","","","","","","1.062","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235072","9.2716","0.0009","5.2277","0.0005","20.3473","0.0019","90","","102.235","0.001","90","","963.82","0.16","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 Cl2 N2 O4 -","- C19 H20 Cl2 N2 O4 -","- C38 H40 Cl4 N4 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0307","0.0278","","","0.065","0.0667","","","","","","1.045","","","","has coordinates,has disorder","227779","2020-10-21","18:00:00",""
"7235073","13.97927","0.00015","8.5583","0.0001","14.15242","0.00018","90","","94.8011","0.0006","90","","1687.24","0.03","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Samarium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Sm2 Sr3 -","- Ge6 O18 Sm2.0007 Sr2.9993 -","- Ge24 O72 Sm8.0028 Sr11.9972 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02579","","1.56","","","","","","","has coordinates","227782","2020-10-21","18:00:00",""
"7235074","14.13472","0.00007","8.1969","0.00005","15.59089","0.0001","90","","90.9492","0.0005","90","","1806.13","0.018","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Praseodymium Germanate","Tristrontium Bidysprosium Bisilicate","","- Ge6 O18 Pr2 Sr3 -","- Ge6 O18 Pr2.0014 Sr2.9986 -","- Ge24 O72 Pr8.0056 Sr11.9944 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02287","","1.93","","","","","","","has coordinates","227783","2020-10-21","18:00:00",""
"7235075","13.95607","0.00019","8.56647","0.00013","14.03679","0.00023","90","","95.1018","0.0008","90","","1671.51","0.04","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Gadolinium Germanate","Tristrontium Bidysprosium Bisilicate","","- Gd2 Ge6 O18 Sr3 -","- Gd1.9996 Ge6 O18 Sr3.0004 -","- Gd7.9984 Ge24 O72 Sr12.0016 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03421","","1.95","","","","","","","has coordinates","227785","2020-10-21","18:00:00",""
"7235076","14.18247","0.00008","8.24753","0.00005","15.65517","0.0001","90","","90.6279","0.0004","90","","1831.08","0.019","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Lanthanum Germanate","","","- Ge6 La2 O18 Sr3 -","- Ge6 La2.001 O18 Sr2.999 -","- Ge24 La8.004 O72 Sr11.996 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02564","","1.43","","","","","","","has coordinates","227786","2020-10-21","18:00:00",""
"7235077","13.97546","0.00022","8.56246","0.00015","14.08676","0.00027","90","","94.9703","0.0009","90","","1679.34","0.05","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Europium Germanate","Tristrontium Bidysprosium Bisilicate","","- Eu2 Ge6 O18 Sr3 -","- Eu2 Ge6 O18 Sr3 -","- Eu8 Ge24 O72 Sr12 -","4","0.5","","Chufarov, Alexander Yu.; Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Baklanova, Yana V.; Enyashin, Andrey N.; Tyutyunnik, Alexander P.; Kellerman, Dina G.; Zubkov, Vladimir G.","Structure, magnetic and optical properties of Sr3RE2(Ge3O9)2 cyclogermanates (RE = La‒Gd)","CrystEngComm","2018","20","17","2404","","10.1039/C8CE00005K","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.03945","","2.03","","","","","","","has coordinates","227787","2020-10-21","18:00:00",""
"7235078","14.514","0.001","4.8442","0.0019","19.19","0.006","90","","120.54","0.02","90","","1162.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N8 Zn -","- C32 H16 N8 Zn -","- C64 H32 N16 Zn2 -","2","0.5","","Li, Dapeng; Ge, Suxiang; Yuan, Tianci; Gong, Jingjing; Huang, Baojun; Tie, Weiwei; He, Weiwei","Green synthesis and characterization of crystalline zinc phthalocyanine and cobalt phthalocyanine prisms by a simple solvothermal route","CrystEngComm","2018","20","19","2749","","10.1039/C8CE00215K","","","0.71073","MoKα","","0.0598","0.0402","","","0.0778","0.0837","","","","","","1.047","","","","has coordinates","227791","2020-10-21","18:00:00",""
"7235079","5.9014","0.0004","9.2693","0.0007","9.5123","0.0007","85.902","0.004","77.676","0.005","85.588","0.006","506.03","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C5 Li N O6 P2 -","- C5 Li N O6 P2 -","- C10 Li2 N2 O12 P4 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","powder diffraction","x-ray","0.18972","","","","","","","","","0.06962","","12.37","","","","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235080","7.7178","0.0001","33.0373","0.0004","11.7577","0.0001","90","","103.709","0.001","90","","2912.52","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H42 K2 N2 O20 P4 -","- C10 H42 K2 N2 O20 P4 -","- C40 H168 K8 N8 O80 P16 -","4","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0393","0.0287","","","0.0666","0.0714","","","","","","1.036","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235081","5.9728","0.0006","9.4557","0.0009","11.0182","0.0011","74.418","0.007","76.17","0.007","84.313","0.007","581.62","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","- C10 H34 Li2 N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0903","0.0578","","","0.1399","0.1596","","","","","","0.985","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235082","7.6682","0.0001","11.5335","0.0001","18.0768","0.0002","97.378","0.001","94.792","0.001","101.705","0.001","1542.61","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H48 N2 Na2 O23 P4 -","- C10 H48 N2 Na2 O23 P4 -","- C20 H96 N4 Na4 O46 P8 -","2","1","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0527","0.0368","","","0.0905","0.0981","","","","","","1.052","","","","has coordinates","227792","2020-10-21","18:00:00",""
"7235083","6.1431","0.0001","14.1093","0.0002","28.9515","0.0004","90","","94.016","0.001","90","","2503.2","0.06","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H35 N2 O16 P4 Rb -","- C10 H35 N2 O16 P4 Rb -","- C40 H140 N8 O64 P16 Rb4 -","4","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.0436","0.0328","","","0.0791","0.0838","","","","","","1.039","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235084","6.0072","0.0002","7.6864","0.0002","14.825","0.0004","86.677","0.002","78.906","0.002","67.611","0.002","621.01","0.03","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","- C10 H35 Cs N2 O16 P4 -","1","0.5","","Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.","From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity","CrystEngComm","2018","20","47","7648","","10.1039/C8CE01351A","","","0.71073","MoKα","","0.058","0.0344","","","0.0676","0.0759","","","","","","1.024","","","","has coordinates,has disorder","227792","2020-10-21","18:00:00",""
"7235085","13.7405","0.0007","10.3343","0.0006","12.1024","0.0007","90","","90","","90","","1718.52","0.17","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","[Tetrakis(mu-adenine-kN3:kN9)bis(chlorido)dicopper(II)]chloride- water (1/8)]","","- C20 H36 Cl4 Cu2 N20 O8 -","- C20 H20 Cl4 Cu2 N20 O7.9998 -","- C40 H40 Cl8 Cu4 N40 O15.9996 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1138","0.0521","","","0.1039","0.1118","","","","","","0.915","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235086","10.6365","0.0002","13.2099","0.0001","7.3378","0.0001","90","","110.057","0.002","90","","968.48","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[tetraaquabis(6-chloropurinato-kN9)cobalt(II)] dihydrate","","- C10 H20 Cl2 Co N8 O8 -","- C10 H20 Cl2 Co N8 O8 -","- C20 H40 Cl4 Co2 N16 O16 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0276","0.025","","","0.0602","0.0617","","","","","","1.075","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235087","7.8461","0.0005","8.759","0.0005","13.1716","0.0008","79.157","0.005","77.23","0.005","78.526","0.005","855.28","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(guanine-KN9)bis(guaninium-KN9)bis(mu-chlorido)bis(chlorido)aquadicopper(II)tetrachloridocuprate(II)","","- C20 H24 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","- C20 H22 Cl8 Cu3 N20 O5 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","1.54184","CuKα","","0.0744","0.056","","","0.1487","0.1629","","","","","","1.05","","","","has coordinates,has disorder","227793","2020-10-21","18:00:00",""
"7235088","11.388","0.0014","6.7307","0.0007","14.9009","0.0019","90","","109.96","0.014","90","","1073.5","0.2","100","2","100","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","[tetraaquabis(9-methyladenine-kN7)cobalt(II)] chloride dihydrate","","- C12 H26 Cl2 Co N10 O6 -","- C12 H26 Cl2 Co N10 O6 -","- C24 H52 Cl4 Co2 N20 O12 -","2","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0287","0.026","","","0.06","0.0618","","","","","","1.07","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235089","7.203","0.002","9.52","0.003","9.659","0.004","82.49","0.02","69.47","0.02","77.59","0.04","604.7","0.4","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","(mu-adenine-1kN3:3kN9)(mu-adenine-2kN3:3kN9)bis(mu-chlorido-1kCl:3kCl)bis(mu-chlorido-2kCl:3kCl)di(chlorido-1kCl,2kCl)tetra(aqua-1k2O,2k2O)tricobalt(II)dihydrate","","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","- C10 H22 Cl6 Co3 N10 O6 -","1","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.0388","0.0288","","","0.0666","0.0681","","","","","","0.96","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235090","7.3349","0.0008","8.5513","0.0008","16.8119","0.0012","94.649","0.007","93.046","0.007","99.041","0.008","1035.64","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[tetrakis(mu-acetato-kO:kO')(mu-9-methyladenine-kN1:kN7)dicopper(II)].methanol (1/1)","","- C15 H23 Cu2 N5 O9 -","- C15 H23 Cu2 N5 O9 -","- C30 H46 Cu4 N10 O18 -","2","1","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pascual-Colino, Jon; Pérez-Yáñez, Sonia; Román, Pascual","Providing evidence for the requirements to achieve supramolecular materials based on metal‒nucleobase entities","CrystEngComm","2018","20","18","2528","","10.1039/C8CE00141C","","","0.71073","MoKα","","0.1019","0.0635","","","0.108","0.1231","","","","","","1.083","","","","has coordinates","227793","2020-10-21","18:00:00",""
"7235091","5.9273","0.0002","8.7713","0.0005","28.0747","0.0015","90","","90","","90","","1459.61","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-naproxen ethanol solvate","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.71073","MoKα","","0.0513","0.0424","","","0.1029","0.1103","","","","","","1.099","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235092","5.84172","0.00009","8.98394","0.00013","45.6816","0.0008","90","","90","","90","","2397.45","0.07","407","","407","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen L-proline 1:2 cocrystal","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid);","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.708","synchrotron","","","","","","","","","4.228","4.12","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235093","12.9532","0.0004","5.76337","0.00015","25.2764","0.0006","90","","93.984","0.003","90","","1882.43","0.09","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","1:1 RS-naproxen D-proline cocrystal methanol solvate","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; bis((2R)-pyrrolidine-2-carboxylic acid); (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; methanol","","- C39 H50 N2 O11 -","- C39 H50 N2 O11 -","- C78 H100 N4 O22 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0593","0.0514","","","0.1428","0.1532","","","","","","1.04","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235094","34.537","0.004","9.0077","0.0008","5.7183","0.0005","90","","90","","90","","1779","0.3","428","","428","","","","","","","","","4","P n a 21","P 2c -2n","33","RS-naproxen DL-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","8.76","72.47","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235095","8.84337","0.00019","5.8351","0.00015","33.6766","0.0007","90","","91.9839","0.0019","90","","1736.74","0.07","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen DL-proline 1:1 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) 2R)-pyrrolidin-1-ium-2-carboxylate 2S)-pyrrolidin-1-ium-2-carboxylate","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.052","0.0474","","","0.127","0.1336","","","","","","1.035","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235096","5.8836","0.0007","9.0952","0.0018","44.047","0.01","90","","90","","90","","2357.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen DL-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.1036","0.0607","","","0.122","0.1475","","","","","","0.979","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235097","5.7018","0.0001","18.8609","0.0003","37.2392","0.0005","90","","90","","90","","4004.74","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 2:3 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) tris((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C43 H55 N3 O12 -","- C43 H55 N3 O12 -","- C172 H220 N12 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.82656","synchrotron","","0.0937","0.0642","","","0.1443","0.1729","","","","","","0.954","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235098","6.06468","0.00013","12.2629","0.0003","50.629","0.0015","90","","90","","90","","3765.31","0.17","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 S-naproxen DL-proline cocrystal hydrate","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid); (2R)-pyrrolidin-1-ium-2-carboxylate; (2S)-pyrrolidin-1-ium-2-carboxylate; water","","- C38 H50 N2 O12 -","- C38 H50 N2 O12 -","- C152 H200 N8 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.798","synchrotron","","","","","","","","","2.59","22.67","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235099","5.8816","0.00007","8.79809","0.0001","45.4679","0.0005","90","","90","","90","","2352.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0415","0.0404","","","0.1094","0.111","","","","","","1.034","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235100","16.2991","0.0007","5.8654","0.0003","18.6876","0.0009","90","","100.052","0.004","90","","1759.12","0.15","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","S-naproxen L-proline 1:1 cocrystal, polymorph II","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (2S)-pyrrolidin-1-ium-2-carboxylate, polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.776188","synchrotron","","","","","","","","","16.66","22.3","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235101","12.5901","0.0006","5.7587","0.0003","51.425","0.003","90","","90","","90","","3728.4","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen D-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C152 H184 N8 O40 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","1.0007","synchrotron","","","","","","","","","12.489","36.98","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235102","12.1578","0.0005","5.8278","0.0002","25.6828","0.0014","90","","98.762","0.005","90","","1798.47","0.14","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen D-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph I","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0756","0.064","","","0.1847","0.1964","","","","","","1.058","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235103","9.9964","0.0003","9.0958","0.0004","39.9654","0.0015","90","","90","","90","","3633.9","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","RS-naproxen DL-proline 1:1 cocrystal, polymorph I","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylatepolymorph I","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0579","0.0397","","","0.0952","0.1074","","","","","","1.06","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235104","12.705","0.002","5.7631","0.0008","25","0.005","90","","95.041","0.011","90","","1823.4","0.5","402","","402","","","","","","","","","4","P 1 21 1","P 2yb","4","RS-naproxen L-proline 1:1 cocrystal, polymorph III","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate), polymorph III","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C76 H92 N4 O20 -","2","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.78487","synchrotron","","","","","","","","","7.117","62.48","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235105","13.7835","0.0012","8.0156","0.0007","18.7113","0.0016","90","","107.462","0.001","90","","1972","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","cimetidinium fumarate acetonitrile solvate","","- C15 H21.5 N6.5 O4 S -","- C15 H21.5 N6.5 O4 S -","- C60 H86 N26 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","","","0.71073","MoKα","","0.0452","0.0373","","","0.0902","0.0942","","","","","","1.041","","","","has coordinates,has disorder","227796","2020-10-21","18:00:00",""
"7235106","7.90643","0.00032","8.3568","0.0004","14.2156","0.0005","87.61","0.0033","75.2582","0.003","76.179","0.005","881.86","0.07","293","","293","","","","","","","","","5","P -1","-P 1","2","cimetidinium fumarate","cimetidinium fumarate polymorph 1","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C28 H40 N12 O8 S2 -","2","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.08581","","1.41","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7235107","13.77","0.001","8.0432","0.0005","18.9493","0.001","90","","107.419","0.004","90","","2002.5","0.2","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cimetidinium fumarate","cimetidinium fumarate polymorph 2","","- C14 H20 N6 O4 S -","- C14 H20 N6 O4 S -","- C56 H80 N24 O16 S4 -","4","1","","Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav","Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method","CrystEngComm","2018","20","45","7242","","10.1039/C8CE01727A","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.05417","","1.14","","","","","","","has coordinates","227796","2020-10-21","18:00:00",""
"7236516","8.615","0.0015","26.006","0.004","10.0175","0.0017","90","","113.667","0.002","90","","2055.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O6 Zn -","- C22 H20 N2 O6 Zn -","- C88 H80 N8 O24 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.098","0.0487","","","0.0975","0.1112","","","","","","0.978","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236517","18.696","0.002","14.2482","0.0017","16.1635","0.0019","90","","90","","90","","4305.7","0.9","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C23 H22 N2 O5 Zn -","- C23 H22 N2 O5 Zn -","- C184 H176 N16 O40 Zn8 -","8","0.5","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0951","0.0706","","","0.1929","0.2037","","","","","","1.088","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236518","8.482","0.007","10.245","0.008","15.967","0.012","99.022","0.01","93.005","0.01","114.363","0.009","1237.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O5 Zn -","- C24 H22 N2 O5 Zn -","- C48 H44 N4 O10 Zn2 -","2","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0543","0.0396","","","0.0851","0.0905","","","","","","0.974","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236519","16.637","0.0016","9.2945","0.0009","24.212","0.002","90","","94.95","0.001","90","","3730","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 N O5 Zn -","- C19 H19 N O5 Zn -","- C152 H152 N8 O40 Zn8 -","8","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0403","0.0321","","","0.0809","0.0848","","","","","","1.065","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236520","9.5648","0.0016","11.4815","0.0016","11.5626","0.0016","100.477","0.002","100.808","0.002","113.57","0.002","1095.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N2 O6 Zn -","- C23 H22 N2 O6 Zn -","- C46 H44 N4 O12 Zn2 -","2","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.062","0.0401","","","0.0872","0.095","","","","","","1.025","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236521","7.9207","0.0007","15.0598","0.0013","17.216","0.0014","90","","99.077","0.001","90","","2027.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O7 Zn -","- C20 H20 N2 O7 Zn -","- C80 H80 N8 O28 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.0402","0.0331","","","0.0885","0.0923","","","","","","1.095","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236522","7.9431","0.0007","15.5159","0.0014","17.2037","0.0016","90","","99.569","0.001","90","","2090.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O7 Zn -","- C21 H22 N2 O7 Zn -","- C84 H88 N8 O28 Zn4 -","4","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.046","0.0339","","","0.0821","0.0891","","","","","","1.026","","","","has coordinates,has disorder","236249","2020-10-21","18:00:00",""
"7236523","13.5909","0.0016","15.3382","0.0018","19.411","0.002","90","","90","","90","","4046.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 N2 O5 Zn -","- C22 H20 N2 O5 Zn -","- C176 H160 N16 O40 Zn8 -","8","1","","Wang, Tao; Zhu, Rong-Rong; Zhang, Xiao-Feng; Yan, Tong; Wang, Quan; Feng, Jing; Zhou, Jie; Du, Lin; Zhao, Qi-Hua","Assembly of a series of zinc coordination polymers based on 5-functionalized isophthalic acids and dipyridyl","RSC Advances","2018","8","14","7428","","10.1039/C7RA12874F","","","0.71073","MoKα","","0.1146","0.0457","","","0.0914","0.1153","","","","","","0.987","","","","has coordinates","236249","2020-10-21","18:00:00",""
"7236643","32.8","0.002","32.8","0.002","32.8","0.002","90","","90","","90","","35288","4","270","2","270","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C30 H30 N0.03 O10 S8 Zr -","- C17.05 H6.5 N3.324 O4.5 S1.5 Zr0.75 -","- C545.6 H208 N106.368 O144 S48 Zr24 -","32","0.166667","","He, Yonghe; Hou, Yun-Long; Wong, Yan-Lung; Xiao, Ran; Li, Mu-Qing; Hao, Zhifeng; Huang, Jian; Wang, Lei; Zeller, Matthias; He, Jun; Xu, Zhengtao","Improving stability against desolvation and mercury removal performance of Zr(iv)‒carboxylate frameworks by using bulky sulfur functions","Journal of Materials Chemistry A","2018","6","4","1648","","10.1039/C7TA06118H","","","0.71073","MoKα","","0.0766","0.0542","","","0.1721","0.1865","","","","","","1.197","","","","has coordinates,has disorder","236378","2020-10-21","18:00:00",""
"7236659","7.2661","0.0009","7.419","0.0009","16.444","0.002","91.005","0.003","102.408","0.004","98.557","0.002","854.98","0.18","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","- C46 H34 N2 O4 S2 -","1","0.5","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.0997","0.0603","","","0.1373","0.1535","","","","","","1.021","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236660","17.987","0.007","7.44","0.002","27.623","0.01","90","","105.357","0.013","90","","3565","2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PBI","Perylene bisimide","","- C41 H34 Cl2 N2 O4 S -","- C41 H34 Cl2 N2 O4 S -","- C164 H136 Cl8 N8 O16 S4 -","4","1","","Mishra, Ruchika; Regar, Ramprasad; Singh, Varun; Panini, Piyush; Singhal, Rahul; Keshtov, M. L.; Sharma, Ganesh D.; Sankar, Jeyaraman","Modulation of the power conversion efficiency of organic solar cells via architectural variation of a promising non-fullerene acceptor","Journal of Materials Chemistry A","2018","6","2","574","","10.1039/C7TA08533H","","","0.71073","MoKα","","0.2004","0.167","","","0.4684","0.4976","","","","","","2.313","","","","has coordinates,has disorder","236395","2020-10-21","18:00:00",""
"7236661","4.5053","0.0005","10.492","0.0013","12.3817","0.0017","83.323","0.004","82.161","0.005","85.293","0.004","574.57","0.12","172","2","172","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O4 -","- C6 H6 N10 O4 -","- C12 H12 N20 O8 -","2","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1252","0.0592","","","0.0901","0.1064","","","","","","1.029","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236662","12.9567","0.0012","6.4248","0.0008","9.6417","0.001","90","","90","","90","","802.62","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H2 N8 O4 -","- C4 H2 N8 O4 -","- C16 H8 N32 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.0964","0.0498","","","0.0801","0.0926","","","","","","1.027","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236663","45.902","0.005","3.5862","0.0004","8.3346","0.0009","90","","90","","90","","1372","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H13 N15 O4 -","- C6 H13 N15 O4 -","- C24 H52 N60 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.1317","0.0584","","","0.0817","0.0981","","","","","","1.037","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236664","15.6882","0.0015","4.8817","0.0005","16.3623","0.0017","90","","118.492","0.004","90","","1101.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N12 O4 -","- C5 H8 N12 O4 -","- C20 H32 N48 O16 -","4","1","","Xu, Zhen; Cheng, Guangbin; Zhu, Shunguan; Lin, Qiuhan; Yang, Hongwei","Nitrogen-rich salts based on the combination of 1,2,4-triazole and 1,2,3-triazole rings: a facile strategy for fine tuning energetic properties","Journal of Materials Chemistry A","2018","6","5","2239","","10.1039/C7TA08941D","","","0.71073","MoKα","","0.094","0.0447","","","0.0804","0.0955","","","","","","1.014","","","","has coordinates","236397","2020-10-21","18:00:00",""
"7236665","17.1503","0.0011","17.1503","0.0011","25.6245","0.0019","90","","90","","120","","6527.2","0.8","100","2","100","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C36 H23 N6 O16 Sc3 -","- C36 H18 N6 O16 Sc3 -","- C72 H36 N12 O32 Sc6 -","2","0.0833333","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1905","0.1183","","","0.3236","0.3783","","","","","","1.093","","","","has coordinates,has disorder","236399","2020-10-21","18:00:00",""
"7236666","8.8618","0.0004","48.6247","0.0016","14.5573","0.0006","90","","102.581","0.004","90","","6122.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 N3 O6 Sc -","- C18 H9 N3 O6 Sc -","- C144 H72 N24 O48 Sc8 -","8","1","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal–organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.1053","0.0899","","","0.2508","0.2704","","","","","","1.023","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7236667","17.993","0.001","17.993","0.001","24.7387","0.0011","90","","90","","120","","6936.1","0.6","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C36 H23 Cl3 Cu1.5 N6 O16 Sc3 -","- C36 H18 Cl3 Cu1.5 N6 O16 Sc3 -","- C72 H36 Cl6 Cu3 N12 O32 Sc6 -","2","0.166667","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.0614","","","0.1703","0.1891","","","","","","0.952","","","","has coordinates","236399","2020-10-21","18:00:00",""
"7236668","10.8498","0.0004","10.8498","0.0004","12.7484","0.0005","90","","90","","90","","1500.72","0.1","304.5","","304.5","","","","","","","","","3","I 41 m d","I 4bw -2","109","triptycene tribenzoquinone","9,10-dihydro-9,10-o-Benzenoanthracene-1,4,5,8,13,16-hexone","","- C20 H8 O6 -","- C20 H8 O6 -","- C80 H32 O24 -","4","0.25","","Kwon, Ji Eon; Hyun, Chang-Seok; Ryu, Young Jun; Lee, Joungphil; Min, Dong Joo; Park, Moon Jeong; An, Byeong-Kwan; Park, Soo Young","Triptycene-based quinone molecules showing multi-electron redox reactions for large capacity and high energy organic cathode materials in Li-ion batteries","Journal of Materials Chemistry A","2018","6","7","3134","","10.1039/C7TA09968A","","","0.71073","MoKα","","0.0544","0.0394","","","0.0875","0.0942","","","","","","1.08","","","","has coordinates","236401","2020-10-21","18:00:00",""
"7236669","12.19692","0.00022","12.19692","","30.1482","0.0007","90","","90","","120","","3884.12","0.11","300","","300","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","HPM-1","STW zeolite","","- C9 F Ge5.36 N2 O20 Si4.64 -","- C9 F Ge5.358 N2 O20 Si4.642 -","- C54 F6 Ge32.148 N12 O120 Si27.852 -","6","0.5","","Lu, Peng; Gómez-Hortigüela, Luis; Xu, Lei; Camblor, Miguel A.","Synthesis of STW zeolites using imidazolium-based dications of varying length","Journal of Materials Chemistry A","2018","6","4","1485","","10.1039/C7TA10002G","powder diffraction","x-ray","0.56383","","","","","","","","","0.06662","","2.23","","","","","","","has coordinates","236404","2020-10-21","18:00:00",""
"7236670","18.6937","0.0006","18.6937","0.0006","23.5643","0.0014","90","","90","","120","","7131.4","0.5","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C38 H46 Cu2 N4 O15 -","- C26 H11 Cu2 O10 -","- C156 H66 Cu12 O60 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1153","0.0602","","","0.1749","0.1971","","","","","","1.059","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236671","18.6674","0.0003","18.6674","0.0003","23.4138","0.0007","90","","90","","120","","7065.9","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C28 H20 Cu2 O11 -","- C28 H20 Cu2 O11 -","- C168 H120 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.0851","0.0662","","","0.229","0.2471","","","","","","1.048","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236672","18.6086","0.0003","18.6086","0.0003","23.4526","0.0007","90","","90","","120","","7033.1","0.3","150","2","150","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C27 H18 Cu2 O11 -","- C29 H18 Cu2 O11 -","- C174 H108 Cu12 O66 -","6","0.25","","Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing","Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption","Journal of Materials Chemistry A","2018","6","8","3471","","10.1039/C7TA10123F","","","0.71073","MoKα","","0.1137","0.0842","","","0.25","0.2696","","","","","","1.189","","","","has coordinates","236408","2020-10-21","18:00:00",""
"7236673","17.7174","0.0011","17.7174","0.0011","22.4865","0.0018","90","","90","","90","","7058.7","0.8","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C24 H8 N0 O28 S4 Zr3 -","- C24 H8 O28 S4 Zr3 -","- C96 H32 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.115","0.0714","","","0.1898","0.2149","","","","","","0.939","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236674","17.526","0.003","17.526","0.003","22.893","0.003","90","","90","","90","","7031.8","1.9","150","","150","","","","","","","","","6","I 4/m","-I 4","87","","","","- C27 H8 N1.8 O28 S4 Zr3 -","- C27 H8 N1.8 O28 S4 Zr3 -","- C108 H32 N7.2 O112 S16 Zr12 -","4","0.25","","Nguyen, My V.; Lo, Tien H. N.; Luu, Loc C.; Nguyen, Hue T. T.; Tu, Thach N.","Enhancing proton conductivity in a metal‒organic framework at T > 80 °C by an anchoring strategy","Journal of Materials Chemistry A","2018","6","4","1816","","10.1039/C7TA10148A","","","1.54178","CuKα","","0.1287","0.0896","","","0.2333","0.2752","","","","","","1.006","","","","has coordinates,has disorder","236410","2020-10-21","18:00:00",""
"7236675","25.881","0.002","9.9835","0.0007","13.1167","0.0009","90","","110.523","0.002","90","","3174","0.4","293","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Co Mo N8 O4 -","- C36 H28 Co Mo N8 O4 -","- C144 H112 Co4 Mo4 N32 O16 -","4","0.5","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.0402","0.0303","","","0.0869","0.0911","","","","","","1.158","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236676","12.5972","0.0013","13.873","0.0015","14.9094","0.0016","62.703","0.002","76.533","0.002","82.775","0.002","2251.2","0.4","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Mo N8 Ni O5 -","- C36 H28 Mo N8 Ni O4 -","- C72 H56 Mo2 N16 Ni2 O8 -","2","1","","Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin","Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting","Journal of Materials Chemistry A","2018","6","14","5789","","10.1039/C7TA10558D","","","0.71073","MoKα","","0.1027","0.0549","","","0.1328","0.1493","","","","","","0.858","","","","has coordinates","236413","2020-10-21","18:00:00",""
"7236677","17.13","0.003","6.839","0.0011","27.832","0.005","90","","93.85","0.006","90","","3253.2","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H N11 O14 -","- C7 H N11 O14 -","- C56 H8 N88 O112 -","8","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","1.54178","CuKα","","0.059","0.0514","","","0.1283","0.1321","","","","","","1.045","","","","has coordinates,has disorder","236417","2020-10-21","18:00:00",""
"7236678","7.3543","0.0003","9.0468","0.0003","10.7236","0.0004","105.618","0.001","94.529","0.001","108.899","0.001","639.19","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H3 K N8 O9 -","- C6 H3 K N8 O9 -","- C12 H6 K2 N16 O18 -","2","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0454","0.0338","","","0.0814","0.0885","","","","","","1.044","","","","has coordinates","236417","2020-10-21","18:00:00",""
"7236679","6.7723","0.001","10.2479","0.0015","13.471","0.002","90","","103.86","0.005","90","","907.7","0.2","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C8 H14 N16 O8 -","- C8 H14 N16 O8 -","- C16 H28 N32 O16 -","2","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.0702","0.0413","","","0.111","0.1273","","","","","","1.021","","","","has coordinates","236417","2020-10-21","18:00:00",""
"7236680","24.534","0.007","3.7499","0.0009","18.811","0.005","90","","122.434","0.006","90","","1460.7","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N12 O9 -","- C6 H12 N12 O9 -","- C24 H48 N48 O36 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties","Journal of Materials Chemistry A","2018","6","12","5136","","10.1039/C7TA11172J","","","0.71073","MoKα","","0.1332","0.0665","","","0.1527","0.1835","","","","","","1.023","","","","has coordinates,has disorder","236417","2020-10-21","18:00:00",""
"7236681","14.9001","0.0005","19.3837","0.0006","19.5935","0.0006","90","","90","","90","","5659","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","none","","","- C20 H28.5 In N2.5 O11 S2 -","- C20 H25.5 In N2.5 O11 S2 -","- C160 H204 In8 N20 O88 S16 -","8","1","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.074","0.0635","","","0.1592","0.1672","","","","","","1.062","","","","has coordinates,has disorder","236420","2020-10-21","18:00:00",""
"7236682","13.6387","0.0006","13.6387","0.0006","15.1597","0.0016","90","","90","","90","","2819.9","0.3","100","2","100","2","","","","","","","","6","P 41 2 2","P 4w 2c","91","none","","","- C12.25 H8 Cs In O9.75 S2 -","- C12 H4 Cs In O8 S2 -","- C48 H16 Cs4 In4 O32 S8 -","4","0.5","","Gao, Yu-Jie; Feng, Mei-Ling; Zhang, Bo; Wu, Zhao-Feng; Song, Ying; Huang, Xiao-Ying","An easily synthesized microporous framework material for the selective capture of radioactive Cs+ and Sr2+ ions","Journal of Materials Chemistry A","2018","6","9","3967","","10.1039/C7TA11208D","","","0.71073","MoKα","","0.1424","0.093","","","0.2028","0.2321","","","","","","1.038","","","","has coordinates","236420","2020-10-21","18:00:00",""
"7236699","20.42","0.005","7.929","0.002","29.104","0.008","90","","91.616","0.006","90","","4710","2","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C200 H168 N8 O40 -","8","1","","Zhang, Yanhui; Ma, Lin; Tang, Chunchao; Pan, Shengnan; Shi, Donglei; Wang, Shaojing; Li, Minyong; Guo, Yuan","A highly sensitive and rapidly responding fluorescent probe based on a rhodol fluorophore for imaging endogenous hypochlorite in living mice","Journal of Materials Chemistry B","2018","6","5","725","","10.1039/C7TB02862H","","","0.71073","MoKα","","0.1456","0.0701","","","0.1842","0.23","","","","","","0.982","","","","has coordinates","236441","2020-10-21","18:00:00",""
"7236863","9.3224","0.0007","21.5654","0.0017","8.081","0.0005","90","","100.337","0.006","90","","1598.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N2 -","- C44 H36 N2 -","- C88 H72 N4 -","2","0.5","","He, Zuozheng; Cai, Xinyi; Wang, Zhiheng; Li, Yunchuan; Xu, Zhida; Liu, Kunkun; Chen, Dongcheng; Su, Shi-Jian","Sky-blue thermally activated delayed fluorescence material employing a diphenylethyne acceptor for organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","1","36","","10.1039/C7TC02763J","","x-ray","1.54184","CuKα","","0.0492","0.043","","","0.111","0.1152","","","","","","1.048","","","","has coordinates","236583","2020-10-21","18:00:00",""
"7236888","11.6728","0.0013","11.6728","0.0013","17.818","0.002","90","","90","","90","","2427.8","0.5","293","2","293","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- C18 Cd N10 -","- C18 Cd N10.2 -","- C72 Cd4 N40.8 -","4","0.125","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0628","0.0468","","","0.1256","0.1543","","","","","","1.103","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236889","16.3047","0.0004","16.3047","0.0004","17.6047","0.0005","90","","90","","90","","4680.1","0.2","300","","300","","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C18 H28 Cd N10 -","- C17.9996 H7 Cd N10 -","- C143.997 H56 Cd8 N80 -","8","1","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0466","0.0358","","","0.0941","0.1011","","","","","","1.06","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236890","16.2377","0.0006","15.5366","0.0006","17.4934","0.0007","90","","90.722","0.002","90","","4412.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cd N10 -","- C18 H28 Cd N10 -","- C144 H224 Cd8 N80 -","8","2","","Bermúdez-García, Juan Manuel; Yáñez-Vilar, Susana; García-Fernández, Alberto; Sánchez-Andújar, Manuel; Castro-García, Socorro; López-Beceiro, Jorge; Artiaga, Ramón; Dilshad, Melony; Moya, Xavier; Señarís-Rodríguez, María Antonia","Giant barocaloric tunability in [(CH3CH2CH2)4N]Cd[N(CN)2]3 hybrid perovskite","Journal of Materials Chemistry C","2018","6","37","9867","","10.1039/C7TC03136J","","","0.71073","MoKα","","0.0493","0.0354","","","0.0812","0.0857","","","","","","1.0498","","","","has coordinates,has disorder","236604","2020-10-21","18:00:00",""
"7236922","9.5781","0.0007","10.7829","0.0008","30.413","0.002","90","","90","","90","","3141","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B10 -","- C34 H34 B10 -","- C136 H136 B40 -","4","1","","Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei","Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state","Journal of Materials Chemistry C","2018","6","1","19","","10.1039/C7TC03780E","","","0.71073","MoKα","","0.0538","0.045","","","0.1273","0.1396","","","","","","0.97","","","","has coordinates","236637","2020-10-21","18:00:00",""
"7236923","21.566","0.004","10.668","0.002","19.897","0.004","90","","100.659","0.005","90","","4498.6","1.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B20 -","- C42 H48 B20 -","- C168 H192 B80 -","4","1","","Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei","Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state","Journal of Materials Chemistry C","2018","6","1","19","","10.1039/C7TC03780E","","","0.71073","MoKα","","0.1584","0.0932","","","0.2049","0.2379","","","","","","1.078","","","","has coordinates","236637","2020-10-21","18:00:00",""
"7236925","8.1836","0.0002","8.4919","0.0002","13.1439","0.0003","101.046","0.002","99.302","0.002","96.025","0.002","875.96","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 S Se3 -","- C6 H4 S Se3 -","- C24 H16 S4 Se12 -","4","2","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","0.71073","MoKα","","0.0625","0.0354","","","0.0766","0.087","","","","","","1.024","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236926","12.4011","0.0008","3.8012","0.0003","18.4421","0.0013","90","","104.179","0.007","90","","842.86","0.11","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 N4 S Se3 -","- C18 H8 N4 S Se3 -","- C36 H16 N8 S2 Se6 -","2","0.5","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","1.5418","CuKα","","0.0604","0.0562","","","0.1732","0.175","","","","","","1.403","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236927","7.7902","0.0002","8.6288","0.0003","14.5566","0.0004","100.073","0.003","105.219","0.003","96.116","0.003","917.58","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 O8 S Se3 -","- C14 H12 O8 S Se3 -","- C28 H24 O16 S2 Se6 -","2","1","","Walwyn, Robert J.; Chan, Bun; Usov, Pavel M.; Solomon, Marcello B.; Duyker, Samuel G.; Koo, Jin Young; Kawano, Masaki; Turner, Peter; Kepert, Cameron J.; D'Alessandro, Deanna M.","Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex","Journal of Materials Chemistry C","2018","6","5","1092","","10.1039/C7TC03853D","","","1.5418","CuKα","","0.0374","0.0323","","","0.0994","0.1007","","","","","","1.321","","","","has coordinates","236641","2020-10-21","18:00:00",""
"7236931","16.96","0.0009","9.8296","0.0005","9.9981","0.0009","90","","101.847","0.007","90","","1631.28","0.19","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C6 H12 Cu3 I3 N3 O P -","- C6 H12 Cu3 I3 N3 O P -","- C24 H48 Cu12 I12 N12 O4 P4 -","4","0.5","","Jaros, Sabina W.; Sokolnicki, Jerzy; Wołoszyn, Aleksandra; Haukka, Matti; Kirillov, Alexander M.; Smoleński, Piotr","A novel 2D coordination network built from hexacopper(i)-iodide clusters and cagelike aminophosphine blocks for reversible “turn-on” sensing of aniline","Journal of Materials Chemistry C","2018","6","7","1670","","10.1039/C7TC03863A","","","1.54184","CuKα","","0.0844","0.0814","","","0.213","0.2189","","","","","","1.05","","","","has coordinates","236646","2020-10-21","18:00:00",""
"7236932","13.1045","0.0014","21.445","0.002","10.3406","0.0011","90","","90.654","0.002","90","","2905.8","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 N3 -","- C36 H39 N3 -","- C144 H156 N12 -","4","1","","Ruiz, C.; Arrechea-Marcos, I.; Benito-Hernández, A.; Gutierrez-Puebla, E.; Monge, M. A.; López Navarrete, J. T.; Ruiz Delgado, M. C.; Ortiz, R. Ponce; Gómez-Lor, Berta","Solution-processed N-trialkylated triindoles for organic field effect transistors","Journal of Materials Chemistry C","2018","6","1","50","","10.1039/C7TC03866F","","","0.71073","MoKα","","0.2605","0.1192","","","0.1943","0.242","","","","","","1.187","","","","has coordinates","236649","2020-10-21","18:00:00",""
"7236933","15.3638","0.0019","26.471","0.003","8.4581","0.0008","90","","94.961","0.007","90","","3427","0.7","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51 N3 -","- C42 H51 N3 -","- C168 H204 N12 -","4","1","","Ruiz, C.; Arrechea-Marcos, I.; Benito-Hernández, A.; Gutierrez-Puebla, E.; Monge, M. A.; López Navarrete, J. T.; Ruiz Delgado, M. C.; Ortiz, R. Ponce; Gómez-Lor, Berta","Solution-processed N-trialkylated triindoles for organic field effect transistors","Journal of Materials Chemistry C","2018","6","1","50","","10.1039/C7TC03866F","","","1.54178","CuKα","","0.1194","0.084","","","0.2446","0.2819","","","","","","1.051","","","","has coordinates","236649","2020-10-21","18:00:00",""
"7236936","14.8064","0.0006","14.966","0.0004","14.0417","0.0004","90","","90","","90","","3111.54","0.18","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Co Dy N10 O8 -","- C26 H28 Co Dy N10 O8 -","- C104 H112 Co4 Dy4 N40 O32 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0178","0.0145","","","0.0285","0.0288","","","","","","0.894","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7236937","14.8508","0.0009","15.1527","0.001","14.0756","0.001","90","","90","","90","","3167.4","0.4","90","2","90","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H28 Dy N10 O8 Rh -","- C26 H28 Dy N10 O8 Rh -","- C104 H112 Dy4 N40 O32 Rh4 -","4","0.5","","Wang, Junhao; Chorazy, Szymon; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Achieving white light emission and increased magnetic anisotropy by transition metal substitution in functional materials based on dinuclear DyIII(4-pyridone)[MIII(CN)6]3− (M = Co, Rh) molecules","Journal of Materials Chemistry C","2018","6","3","473","","10.1039/C7TC03963H","","x-ray","0.71075","MoKα","","0.0542","0.0456","","","0.067","0.0689","","","","","","1.113","","","","has coordinates,has disorder","236653","2020-10-21","18:00:00",""
"7236944","7.1883","0.0005","13.2447","0.0009","15.0899","0.001","74.083","0.002","85.474","0.002","85.631","0.002","1375.04","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,4,9,12-tetrakis(triethylsilylethynyl)-cyclobuta[1,2-b:3,4-b']diphenazine","","- C56 H68 N4 Si4 -","- C56 H68 N4 Si4 -","- C56 H68 N4 Si4 -","1","0.5","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1499","0.0819","","","0.2116","0.2545","","","","","","1.018","","","","has coordinates","236659","2020-10-21","18:00:00",""
"7236945","11.3043","0.0005","12.8623","0.0007","13.6784","0.0007","66.8512","0.0015","71.1741","0.0014","70.6227","0.0014","1682.2","0.15","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","2,3,10,11-tetrakis(triisopropylsilylethynyl)-cyclobuta[1,2-b:3,4-b']diphenazine","","- C68 H92 N4 Si4 -","- C68 H92 N4 Si4 -","- C68 H92 N4 Si4 -","1","0.5","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1003","0.072","","","0.1997","0.2252","","","","","","1.045","","","","has coordinates","236659","2020-10-21","18:00:00",""
"7236946","7.6974","0.0005","38.404","0.002","11.924","0.0008","90","","100.979","0.0018","90","","3460.4","0.4","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(triisopropylsilylethynyl)phenazine","","- C34 H48 N2 Si2 -","- C34 H48 N2 Si2 -","- C136 H192 N8 Si8 -","4","1","","Yang, Shuaijun; Chu, Ming; Miao, Qian","Connecting two phenazines with a four-membered ring: the synthesis, properties and applications of cyclobuta[1,2-b:3,4-b′]diphenazines","Journal of Materials Chemistry C","2018","6","14","3651","","10.1039/C7TC04092J","","","0.71073","MoKα","","0.1265","0.0778","","","0.2028","0.2377","","","","","","1.059","","","","has coordinates,has disorder","236659","2020-10-21","18:00:00",""
"7236950","41.098","0.004","42.182","0.004","26.733","0.002","90","","127.812","0.002","90","","36613","6","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cluster-1","","- C372 H484 Cd24 N24 O144 Sm8 -","- C372 H484 Cd24 N24 O144 Sm8 -","- C744 H968 Cd48 N48 O288 Sm16 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1833","0.1194","","","0.2966","0.3541","","","","","","1.125","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236951","41.397","0.004","42.1","0.005","26.794","0.003","90","","127.792","0.003","90","","36902","7","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Cluster-3","","- C372 H484 Cd24 N24 O144 Yb8 -","- C372 H484 Cd24 N24 O144 Yb8 -","- C744 H968 Cd48 N48 O288 Yb16 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1746","0.1138","","","0.2955","0.3495","","","","","","1.133","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236952","41.274","0.003","42.043","0.003","26.7288","0.0017","90","","127.692","0.002","90","","36703","5","190","1","190","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","cluster-2","","- C372 H484 Cd24 Er8 N24 O144 -","- C372 H484 Cd24 Er8 N24 O144 -","- C744 H968 Cd48 Er16 N48 O288 -","2","0.25","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1305","0.0764","","","0.2037","0.2357","","","","","","0.934","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236953","24.7784","0.0011","40.9518","0.0017","27.8972","0.0014","90","","111.891","0.003","90","","26267","2","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cluster-4","","- C360 H468 Cd22 Er8 N24 O138 -","- C360 H468 Cd22 Er8 N24 O138 -","- C720 H936 Cd44 Er16 N48 O276 -","2","0.5","","Wang, Chengri; Yang, Xiaoping; Wang, Shiqing; Zhu, Ting; Bo, Le; Zhang, Lijie; Chen, Hongfen; Jiang, Dongmei; Dong, Xiaomei; Huang, Shaoming","Anion dependent self-assembly of drum-like 30- and 32-metal Cd‒Ln nanoclusters: visible and NIR luminescent sensing of metal cations","Journal of Materials Chemistry C","2018","6","4","865","","10.1039/C7TC04101B","","","0.71073","MoKα","","0.1902","0.0914","","","0.2181","0.2448","","","","","","0.954","","","","has coordinates","236661","2020-10-21","18:00:00",""
"7236969","7.6238","0.0015","11.162","0.002","14.418","0.003","70.743","0.003","82.69","0.003","78.468","0.003","1132.4","0.4","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H23 N5 -","- C30 H23 N5 -","- C60 H46 N10 -","2","1","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.0585","0.0463","","","0.1111","0.118","","","","","","1.105","","","","has coordinates","236677","2020-10-21","18:00:00",""
"7236970","7.661","0.003","10.946","0.005","14.26","0.006","72.721","0.005","84.178","0.006","77.936","0.005","1115.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H21 N5 O -","- C29 H21 N5 O -","- C58 H42 N10 O2 -","2","1","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.1318","0.0999","","","0.2999","0.3365","","","","","","1.204","","","","has coordinates","236677","2020-10-21","18:00:00",""
"7236971","7.9989","0.0016","11.385","0.002","25.451","0.005","84.99","0.03","89.04","0.03","77.47","0.03","2253.9","0.8","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 N6 -","- C29 H22 N6 -","- C116 H88 N24 -","4","2","","Gu, Long; Shi, Huifang; Miao, Chunyang; Wu, Qi; Cheng, Zhichao; Cai, Suzhi; Gu, Mingxing; Ma, Chaoqun; Yao, Wei; Gao, Yaru; An, Zhongfu; Huang, Wei","Prolonging the lifetime of ultralong organic phosphorescence through dihydrogen bonding","Journal of Materials Chemistry C","2018","6","2","226","","10.1039/C7TC04452F","","","0.71073","MoKα","","0.1363","0.1029","","","0.2798","0.3085","","","","","","1.167","","","","has coordinates","236677","2020-10-21","18:00:00",""
"7236976","9.0589","0.0004","5.6406","0.0002","9.4634","0.0004","90","","90.244","0.004","90","","483.55","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","2","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0325","0.0306","","","0.0724","0.0738","","","","","","1.022","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236977","9.3971","0.0008","5.6764","0.0006","9.3171","0.0011","90","","90","","90","","496.99","0.09","460","2","460","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cs O4 P -","- Cd Cs O4 P -","- Cd4 Cs4 O16 P4 -","4","0.5","","Shen, Yaoguo; Zhao, Sangen; Wang, Chenxi; Wang, Zujian; Feng, Jianghe; Hong, Maochun; Luo, Junhua","An optoelectronic duple bistable phosphate with ultrahigh thermal stability","Journal of Materials Chemistry C","2018","6","2","388","","10.1039/C7TC04644H","","","0.71073","MoKα","","0.0444","0.0388","","","0.1048","0.1106","","","","","","1.113","","","","has coordinates","236683","2020-10-21","18:00:00",""
"7236978","13.1358","0.0008","14.0526","0.0006","28.8957","0.0013","90","","97.657","0.006","90","","5286.4","0.5","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H46 Cl3 N O -","- C69 H46 Cl3 N O -","- C276 H184 Cl12 N4 O4 -","4","0.5","","Bian, Mengying; Zhao, Zifeng; Li, Yu; Li, Qing; Chen, Zhijian; Zhang, Dongdong; Wang, Shufeng; Bian, Zuqiang; Liu, Zhiwei; Duan, Lian; Xiao, Lixin","A combinational molecular design to achieve highly efficient deep-blue electrofluorescence","Journal of Materials Chemistry C","2018","6","4","745","","10.1039/C7TC04685E","","","0.71073","MoKα","","0.0882","0.0558","","","0.1276","0.1474","","","","","","1.042","","","","has coordinates,has disorder","236685","2020-10-21","18:00:00",""
"7236980","8.7574","0.0018","12.692","0.003","17.8","0.004","74.09","0.03","79.79","0.03","77.08","0.03","1840.2","0.8","153.15","","153.15","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H33 Cl2 F6 Ir N5 O P -","- C35 H33 Cl2 F6 Ir N5 O P -","- C70 H66 Cl4 F12 Ir2 N10 O2 P2 -","2","1","","He, Lei; Lan, Ying; Ma, Dongxin; Song, Xiangzhi; Duan, Lian","Fluorine-free, highly efficient, blue-green and sky-blue-emitting cationic iridium complexes and their use for efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","6","1509","","10.1039/C7TC04747A","","","0.71073","MoKα","","0.0572","0.0529","","","0.1439","0.1588","","","","","","1.109","","","","has coordinates","236689","2020-10-21","18:00:00",""
"7236981","14.518","0.003","13.853","0.003","18.94","0.004","90","","94.98","0.03","90","","3794.8","1.4","153","2","153.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl4 F6 Ir N6 P -","- C34 H32 Cl4 F6 Ir N6 P -","- C136 H128 Cl16 F24 Ir4 N24 P4 -","4","1","","He, Lei; Lan, Ying; Ma, Dongxin; Song, Xiangzhi; Duan, Lian","Fluorine-free, highly efficient, blue-green and sky-blue-emitting cationic iridium complexes and their use for efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","6","1509","","10.1039/C7TC04747A","","","0.71073","MoKα","","0.0652","0.0593","","","0.1618","0.1805","","","","","","1.19","","","","has coordinates,has disorder","236689","2020-10-21","18:00:00",""
"7236985","14.2812","0.0013","19.295","0.002","7.9526","0.0011","90","","90","","90","","2191.4","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","NA-15C5","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","1.54178","CuKα","","0.059","0.0499","","","0.1488","0.1577","","","","","","1.049","","","","has coordinates","236692","2020-10-21","18:00:00",""
"7236986","14.5581","0.0003","15.8079","0.0003","18.635","0.0004","90","","102.203","0.002","90","","4191.63","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","NAPM-o","","- C45 H55 N2 O4 P -","- C45 H55 N2 O4 P -","- C180 H220 N8 O16 P4 -","4","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","0.71073","MoKα","","0.129","0.1215","","","0.3738","0.3838","","","","","","3.097","","","","has coordinates","236692","2020-10-21","18:00:00",""
"7236987","6.8722","0.0003","12.146","0.0005","15.6701","0.0005","109.07","0.003","91.048","0.003","106.353","0.003","1177.38","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","NAIF","","- C28 H22 F N3 O2 -","- C28 H22 F N3 O2 -","- C56 H44 F2 N6 O4 -","2","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","1.54178","CuKα","","0.0631","0.053","","","0.152","0.1627","","","","","","1.04","","","","has coordinates,has disorder","236692","2020-10-21","18:00:00",""
"7236988","9.3357","0.0005","14.2823","0.0008","16.5623","0.0008","75.638","0.005","89.724","0.004","76.795","0.005","2079.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","NAPM-y","","- C45 H55 N2 O4 P -","- C45 H55 N2 O4 P -","- C90 H110 N4 O8 P2 -","2","1","","Yang, Wei; Liu, Chunlin; Lu, Shuang; Du, Jinya; Gao, Qingyun; Zhang, Ronghua; Liu, Yi; Yang, Changying","AIE-active smart cyanostyrene luminogens: polymorphism-dependent multicolor mechanochromism","Journal of Materials Chemistry C","2018","6","2","290","","10.1039/C7TC04773H","","","0.71073","MoKα","","0.0816","0.072","","","0.2103","0.2156","","","","","","1.077","","","","has coordinates","236692","2020-10-21","18:00:00",""
"7236989","10.3403","0.00013","10.3403","0.00013","10.3403","0.00013","90","","90","","90","","1105.6","0.02","299.5","0.8","299.5","0.8","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Fe Na -","- Cl6 Cs2 Fe Na -","- Cl24 Cs8 Fe4 Na4 -","4","0.0208333","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0186","0.0184","","","0.0921","0.0924","","","","","","0.902","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236990","12.0861","0.0005","7.4271","0.0003","9.8187","0.0004","90","","90","","90","","881.37","0.06","299","0.6","299","0.6","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br4 Cs Fe -","- Br4 Cs Fe -","- Br16 Cs4 Fe4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0933","0.0679","","","0.2006","0.2255","","","","","","1.08","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236991","7.5427","0.0008","7.5427","0.0008","18.5849","0.0013","90","","90","","120","","915.68","0.15","298.6","0.3","298.6","0.3","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Br9 Cs3 Fe2 -","- Br9 Cs3 Fe2 -","- Br18 Cs6 Fe4 -","2","0.0833333","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0573","0.0445","","","0.1502","0.1637","","","","","","1.172","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236992","14.6652","0.0003","10.4144","0.0002","7.511","0.0002","90","","90","","90","","1147.15","0.04","298.8","0.3","298.8","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Br5 Cs2 Fe H0.25 O -","- Br5 Cs2 Fe H2 O -","- Br20 Cs8 Fe4 H8 O4 -","4","0.5","","Wei, Fengxia; Brivio, Federico; Wu, Yue; Sun, Shijing; Bristowe, Paul D.; Cheetham, Anthony K.","Synthesis, crystal structure, magnetic and electronic properties of the caesium-based transition metal halide Cs3Fe2Br9","Journal of Materials Chemistry C","2018","6","14","3573","","10.1039/C7TC04798C","","x-ray","0.71073","MoKα","","0.0916","0.0816","","","0.2927","0.3075","","","","","","1.163","","","","has coordinates","236695","2020-10-21","18:00:00",""
"7236993","10.607","0.002","7.3468","0.0014","13.38","0.003","90","","93.482","0.002","90","","1040.7","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C32 H48 Cl8 N4 O4 Zn2 -","2","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0341","0.0323","","","0.0817","0.0831","","","","","","0.97","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7236994","10.651","0.007","7.572","0.002","26.926","0.007","90","","90","","90","","2171.6","1.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1558","0.1502","","","0.456","0.4611","","","","","","2.144","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7236995","10.45","0.003","7.501","0.002","26.893","0.008","90","","90.056","0.004","90","","2108","1","175","2","175","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1231","0.1172","","","0.2768","0.2792","","","","","","1.292","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7236996","10.3963","0.0012","7.4549","0.0008","26.803","0.003","90","","91.0564","0.0016","90","","2077","0.4","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","2","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.0371","0.0363","","","0.0883","0.0887","","","","","","1.175","","","","has coordinates","236698","2020-10-21","18:00:00",""
"7236998","12.5822","0.0007","12.8932","0.0008","16.027","0.0011","85.197","0.002","89.683","0.0019","67.1866","0.0014","2387.1","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H40 Cl4 N6 -","- C59 H40 Cl4 N6 -","- C118 H80 Cl8 N12 -","2","1","","Kim, Kwang Jong; Kim, Gyeong Heon; Lampande, Raju; Ahn, Dae Hyun; Im, Joon Beom; Moon, Ji Su; Lee, Jae Kyun; Lee, Jae Yeol; Lee, Ju Young; Kwon, Jang Hyuk","A new rigid diindolocarbazole donor moiety for high quantum efficiency thermally activated delayed fluorescence emitter","Journal of Materials Chemistry C","2018","6","6","1343","","10.1039/C7TC04852A","","","0.71075","MoKα","","0.1485","0.0579","","","0.1433","0.197","","","","","","1.098","","","","has coordinates,has disorder","236702","2020-10-21","18:00:00",""
"7236999","5.7639","0.0002","8.7962","0.0004","26.1501","0.0012","90","","95.237","0.002","90","","1320.29","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Cl4 N3 Pb -","- C6 H13 Cl4 N3 Pb -","- C24 H52 Cl16 N12 Pb4 -","4","1","","Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Wang, Sasa; Zhao, Sangen; Zhang, Weichuan; Li, Lina; Luo, Junhua","Broadband white-light emission with a high color rendering index in a two-dimensional organic‒inorganic hybrid perovskite","Journal of Materials Chemistry C","2018","6","5","1171","","10.1039/C7TC04868H","","","0.71073","MoKα","","0.0409","0.0291","","","0.0627","0.069","","","","","","1.026","","","","has coordinates","236704","2020-10-21","18:00:00",""
"7237000","8.9113","0.0007","5.387","0.0005","11.2599","0.0008","90","","90","","90","","540.53","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.31 Cu1.69 Eu In -","- Ag3.308 Cu1.692 Eu In -","- Ag13.232 Cu6.768 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.029","0.0212","","","0.0372","0.0391","","","","","","1.08","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237001","8.9764","0.0003","5.4247","0.0002","11.1792","0.0004","90","","90","","90","","544.36","0.03","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.94 Cu1.06 Eu In -","- Au3.943 Cu1.057 Eu In -","- Au15.772 Cu4.228 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0455","0.0329","","","0.0621","0.0656","","","","","","1.053","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237002","8.8585","0.0013","5.3061","0.0006","11.0668","0.0011","90","","90","","90","","520.18","0.11","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au3.03 Cu1.97 Eu In -","- Au3.032 Cu1.968 Eu In -","- Au12.128 Cu7.872 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0483","0.0313","","","0.0547","0.0594","","","","","","1","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237003","7.199","0.002","7.199","","5.5082","0.0016","90","","90","","90","","285.47","0.11","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag3.23 Au1.77 Eu In -","- Ag3.232 Au1.768 Eu In -","- Ag6.464 Au3.536 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0505","0.0348","","","0.0581","0.0617","","","","","","1.137","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237004","8.8995","0.0012","5.3795","0.0008","11.2661","0.0013","90","","90","","90","","539.36","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.21 Cu1.79 Eu In -","- Ag3.211 Cu1.789 Eu In -","- Ag12.844 Cu7.156 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.048","0.0355","","","0.0861","0.0907","","","","","","1.029","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237005","8.8834","0.0018","5.3927","0.0011","11.243","0.002","90","","90","","90","","538.6","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag3.09 Cu1.91 Eu In -","- Ag3.1 Cu1.9 Eu In -","- Ag12.4 Cu7.6 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.1047","0.0551","","","0.1026","0.1137","","","","","","0.983","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237006","7.1887","0.0003","7.1887","0.0003","5.4762","0.0005","90","","90","","90","","283","0.03","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Ag2.39 Au2.61 Eu In -","- Ag2.388 Au2.612 Eu In -","- Ag4.776 Au5.224 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0169","0.0162","","","0.0317","0.0319","","","","","","1.243","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237007","7.139","0.002","7.139","0.002","5.417","0.003","90","","90","","90","","276.08","0.19","296","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Au4.61 Cu0.39 Eu In -","- Au4.612 Cu0.388 Eu In -","- Au9.224 Cu0.776 Eu2 In2 -","2","0.0625","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0366","0.0338","","","0.0751","0.076","","","","","","1.189","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237008","9.0774","0.0017","5.6371","0.001","11.382","0.002","90","","90","","90","","582.42","0.18","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ag4.15 Au0.85 Eu In -","- Ag4.147 Au0.853 Eu In -","- Ag16.588 Au3.412 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0437","0.0345","","","0.063","0.0654","","","","","","1.262","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237009","8.832","0.003","5.3062","0.0019","11.059","0.004","90","","90","","90","","518.3","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Au2.66 Cu2.34 Eu In -","- Au2.69 Cu2.31 Eu In -","- Au10.76 Cu9.24 Eu4 In4 -","4","0.5","","Smetana, Volodymyr; Mudryk, Yaroslav; Pecharsky, Vitalij K.; Mudring, Anja-Verena","Controlling magnetism via transition metal exchange in the series of intermetallics Eu(T1,T2)5In (T = Cu, Ag, Au)","Journal of Materials Chemistry C","2018","6","6","1353","","10.1039/C7TC04964A","","","0.71073","MoKα","","0.0583","0.0423","","","0.0897","0.0965","","","","","","0.954","","","","has coordinates","236708","2020-10-21","18:00:00",""
"7237010","9.8552","0.0005","13.7602","0.0007","14.3746","0.0009","108.204","0.002","104.384","0.002","104.602","0.002","1674.62","0.17","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N2 O2 Si -","- C40 H34 N2 O2 Si -","- C80 H68 N4 O4 Si2 -","2","1","","Liu, Xiang-Yang; Tang, Xun; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Spirobi[dibenzo[b,e][1,4]azasiline]: a novel platform for host materials in highly efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","5","1023","","10.1039/C7TC05031C","","","0.71073","MoKα","","0.0802","0.0495","","","0.1168","0.1311","","","","","","1.032","","","","has coordinates","236711","2020-10-21","18:00:00",""
"7237011","10.8378","0.0005","18.1918","0.0008","32.1777","0.0015","90","","99.237","0.002","90","","6261.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N2 O4 Si -","- C40 H30 N2 O4 Si -","- C320 H240 N16 O32 Si8 -","8","2","","Liu, Xiang-Yang; Tang, Xun; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Spirobi[dibenzo[b,e][1,4]azasiline]: a novel platform for host materials in highly efficient organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","5","1023","","10.1039/C7TC05031C","","","0.71073","MoKα","","0.1575","0.0863","","","0.1594","0.1897","","","","","","1.064","","","","has coordinates,has disorder","236711","2020-10-21","18:00:00",""
"7237012","16.684","0.0007","9.5024","0.0006","18.4451","0.0008","90","","113.695","0.0016","90","","2677.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","12,14-dihexyl-1,2,3,4,8,9,10,11-octahydroquinolino[3,2-b]acridine","","- C32 H44 N2 -","- C32 H44 N2 -","- C128 H176 N8 -","4","1","","Lunchev, Andrey V.; Hendrata, Vincent C.; Jaggi, Aparna; Morris, Samuel A.; Ganguly, Rakesh; Chen, Xiaoxuan; Sun, Handong; Grimsdale, Andrew C.","A Friedländer route to 5,7-diazapentacenes","Journal of Materials Chemistry C","2018","6","14","3715","","10.1039/C7TC05057G","","","0.71073","MoKα","","0.1129","0.0605","","","0.1406","0.1708","","","","","","1.018","","","","has coordinates","236713","2020-10-21","18:00:00",""
"7237013","8.8518","0.0019","12.613","0.003","14.689","0.003","89.365","0.002","86.918","0.002","74.577","0.002","1578.6","0.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","7,9-dihexyl-5,6,10,11-tetrahydrobenzo[h]benzo[7,8]quinolino[3,2-b]acridine","","- C40 H44 N2 -","- C40 H44 N2 -","- C80 H88 N4 -","2","1","","Lunchev, Andrey V.; Hendrata, Vincent C.; Jaggi, Aparna; Morris, Samuel A.; Ganguly, Rakesh; Chen, Xiaoxuan; Sun, Handong; Grimsdale, Andrew C.","A Friedländer route to 5,7-diazapentacenes","Journal of Materials Chemistry C","2018","6","14","3715","","10.1039/C7TC05057G","","","0.71073","MoKα","","0.1005","0.0623","","","0.1391","0.1582","","","","","","1.046","","","","has coordinates","236713","2020-10-21","18:00:00",""
"7237014","11.3747","0.0009","11.9787","0.001","12.5689","0.001","93.969","0.002","107.999","0.002","105.44","0.002","1548.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,4,7,10-Tetra(4-(tert-butyl)phenyl)-1,4,7,10-tetraazacoronene-2,3,8,9-tetraone","","- C66 H80 N4 O10 -","- C66 H80 N4 O10 -","- C66 H80 N4 O10 -","1","0.5","","Duan, Ruomeng; Schollmeyer, Dieter; Müllen, Klaus; Li, Chen","From anthraquinone to heterocoronene as stable red chromophore","Journal of Materials Chemistry C","2018","6","6","1334","","10.1039/C7TC05073A","","","0.71073","MoKα","","0.1201","0.0752","","","0.2175","0.2551","","","","","","1.037","","","","has coordinates,has disorder","236715","2020-10-21","18:00:00",""
"7237015","11.631","0.0002","12.9034","0.0004","18.3333","0.0005","72.595","0.002","77.433","0.002","77.292","0.002","2526.88","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H65 Cl3 N2 O3 S2 -","- C55 H65 Cl3 N2 O3 S2 -","- C110 H130 Cl6 N4 O6 S4 -","2","1","","Cameron, Joseph; Abed, Mahmoud Matar; Chapman, Steven J.; Findlay, Neil J.; Skabara, Peter J.; Horton, Peter N.; Coles, Simon J.","Investigating the effect of heteroatom substitution in 2,1,3-benzoxadiazole and 2,1,3-benzothiadiazole compounds for organic photovoltaics","Journal of Materials Chemistry C","2018","6","14","3709","","10.1039/C7TC05075E","","x-ray","0.71075","MoKα","K-L~3~","0.0771","0.0518","","","0.126","0.1417","","","","","","1.016","","","","has coordinates,has disorder","236717","2020-10-21","18:00:00",""
"7237016","11.6431","0.0006","13.1881","0.0011","18.3509","0.0012","72.963","0.006","76.859","0.005","76.62","0.006","2582.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H65 Cl3 N2 O2 S3 -","- C55 H65 Cl3 N2 O2 S3 -","- C110 H130 Cl6 N4 O4 S6 -","2","1","","Cameron, Joseph; Abed, Mahmoud Matar; Chapman, Steven J.; Findlay, Neil J.; Skabara, Peter J.; Horton, Peter N.; Coles, Simon J.","Investigating the effect of heteroatom substitution in 2,1,3-benzoxadiazole and 2,1,3-benzothiadiazole compounds for organic photovoltaics","Journal of Materials Chemistry C","2018","6","14","3709","","10.1039/C7TC05075E","","x-ray","0.71075","MoKα","K-L~3~","0.1168","0.0946","","","0.1875","0.1983","","","","","","1.145","","","","has coordinates,has disorder","236717","2020-10-21","18:00:00",""
"7237017","8.707","0.003","14.128","0.004","16.875","0.005","90","","90","","90","","2075.8","1.1","298","","298","","","","","","","","","5","P c a n","-P 2n 2c","60","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0849","0.0439","","","0.0994","0.1163","","","","","","1.106","","","","has coordinates","236719","2020-10-21","18:00:00",""
"7237018","7.3713","0.0008","7.8546","0.0007","18.749","0.002","90","","97.334","0.004","90","","1076.66","0.19","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C36 H32 Br4 Fe2 N20 -","2","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0925","0.0579","","","0.0925","0.1017","","","","","","1.121","","","","has coordinates","236719","2020-10-21","18:00:00",""
"7237019","8.8257","0.0008","13.4735","0.0012","17.207","0.0016","90","","90","","90","","2046.1","0.3","123","2","123","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0641","0.0345","","","0.0601","0.0687","","","","","","1.018","","","","has coordinates","236719","2020-10-21","18:00:00",""
"7237020","7.3304","0.0005","7.7934","0.0005","18.5912","0.0014","90","","97.229","0.003","90","","1053.65","0.13","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C36 H32 Br4 Fe2 N20 -","2","0.5","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0638","0.0401","","","0.0592","0.0653","","","","","","1.074","","","","has coordinates","236719","2020-10-21","18:00:00",""
"7237021","8.7376","0.0019","12.499","0.002","19.217","0.004","90","","93.267","0.008","90","","2095.3","0.7","298","2","298.6","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.1173","0.0607","","","0.1095","0.1352","","","","","","1.148","","","","has coordinates,has disorder","236719","2020-10-21","18:00:00",""
"7237022","8.7407","0.0009","12.4108","0.0013","19.0055","0.0019","90","","94.212","0.004","90","","2056.1","0.4","123","2","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 Fe N10 -","- C18 H16 Br2 Fe N10 -","- C72 H64 Br8 Fe4 N40 -","4","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0761","0.0403","","","0.066","0.0767","","","","","","1.055","","","","has coordinates","236719","2020-10-21","18:00:00",""
"7237023","8.8548","0.0005","12.5141","0.0007","19.2074","0.0011","90","","93.534","0.002","90","","2124.3","0.2","146","2","146.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Br4 Fe2 N20 -","- C36 H32 Br4 Fe2 N20 -","- C72 H64 Br8 Fe4 N40 -","2","1","","Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin","Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects","Journal of Materials Chemistry C","2018","6","13","3352","","10.1039/C7TC05111E","","","0.71076","MoKα","","0.0926","0.0572","","","0.0854","0.0941","","","","","","1.031","","","","has coordinates,has disorder","236719","2020-10-21","18:00:00",""
"7237024","11.143","0.002","22.245","0.004","19.704","0.006","90","","121.22","0.02","90","","4176.8","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H43 Cl2 N O4 S -","- C48 H41 Cl2 N O4 S -","- C192 H164 Cl8 N4 O16 S4 -","4","1","","Yu, Qi; Su, Xing; Zhang, Ting; Zhang, Yu-Mo; Li, Minjie; Liu, Yifei; Zhang, Sean Xiao-An","Non-invasive fluorescence switch in polymer films based on spiropyran-photoacid modified TPE","Journal of Materials Chemistry C","2018","6","8","2113","","10.1039/C7TC05142E","","","0.71073","MoKα","","0.0848","0.06","","","0.1863","0.2055","","","","","","1.059","","","","has coordinates,has disorder","236721","2020-10-21","18:00:00",""
"7237025","8.617","0.008","22.95","0.02","10.243","0.009","90","","102.365","0.015","90","","1979","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O6 Zn -","- C18 H17 N5 O6 Zn -","- C72 H68 N20 O24 Zn4 -","4","1","","Mondal, Tuhina; Mondal, Supriya; Bose, Saptasree; Sengupta, Debabrata; Ghorai, Uttam Kumar; Saha, Shyamal K.","Pure white light emission from a rare earth-free intrinsic metal‒organic framework and its application in a WLED","Journal of Materials Chemistry C","2018","6","3","614","","10.1039/C7TC05215D","","","0.71073","MoKα","","0.1372","0.0597","","","0.1312","0.1807","","","","","","1.002","","","","has coordinates","236723","2020-10-21","18:00:00",""
"7237026","6.2517","0.0005","7.3716","0.0005","26.471","0.002","90","","90","","90","","1219.92","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F4 O4 S -","- C13 H6 F4 O4 S -","- C52 H24 F16 O16 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0279","0.0259","","","0.0677","0.069","","","","","","1.071","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237027","6.0124","0.0002","22.0636","0.0007","7.2454","0.0003","90","","97.282","0.003","90","","953.39","0.06","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 F3 N O2 S -","- C10 H4 F3 N O2 S -","- C40 H16 F12 N4 O8 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0475","0.0357","","","0.0806","0.0864","","","","","","1.044","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237028","18.0302","0.0005","5.89058","0.00013","18.9311","0.0006","90","","110.094","0.003","90","","1888.25","0.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H3 Cl2 N O2 S -","- C9 H3 Cl2 N O2 S -","- C72 H24 Cl16 N8 O16 S8 -","8","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0385","0.0309","","","0.0705","0.0743","","","","","","1.048","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237029","4.43002","0.00016","21.125","0.0007","10.8195","0.0003","90","","92.714","0.003","90","","1011.4","0.06","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 N2 O2 S -","- C12 H6 N2 O2 S -","- C48 H24 N8 O8 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0637","0.0438","","","0.0931","0.1033","","","","","","1.018","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237030","19.8371","0.0006","11.5899","0.0004","3.7081","0.0001","90","","90","","90","","852.53","0.05","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H4 F2 O2 S -","- C10 H4 F2 O2 S -","- C40 H16 F8 O8 S4 -","4","0.5","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0524","0.037","","","0.0851","0.091","","","","","","1.06","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237031","17.3384","0.0003","6.7457","0.0001","14.5495","0.0004","90","","114.801","0.0015","90","","1544.75","0.06","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 O2 S -","- C8 H4 N2 O2 S -","- C64 H32 N16 O16 S8 -","8","2","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0735","0.0433","","","0.085","0.0952","","","","","","1.032","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237032","5.8022","0.0009","7.6384","0.0009","11.243","0.002","108.558","0.015","94.513","0.015","104.161","0.012","451.33","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H2 F4 O2 S -","- C10 H2 F4 O2 S -","- C20 H4 F8 O4 S2 -","2","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.0887","0.0581","","","0.1325","0.1554","","","","","","1.019","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237033","6.2118","0.001","7.0519","0.0013","14.316","0.002","79.354","0.014","79.598","0.013","65.073","0.016","555.18","0.17","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H4 F3 N O4 S -","- C11 H4 F3 N O4 S -","- C22 H8 F6 N2 O8 S2 -","2","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","","0.71073","MoKα","","0.1107","0.083","","","0.2125","0.2398","","","","","","1.054","","","","has coordinates,has disorder","236725","2020-10-21","18:00:00",""
"7237034","7.5479","0.0008","16.635","0.003","16.809","0.0018","90","","94.163","0.011","90","","2105","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C47 H37 Br2 Cl3 N2 O4 S2 -","- C46 H36 Br2 N2 O4 S2 -","- C92 H72 Br4 N4 O8 S4 -","2","0.5","","Josse, Pierre; Li, Shi; Dayneko, Sergey; Joly, Damien; Labrunie, Antoine; Dabos-Seignon, Sylvie; Allain, Magali; Siegler, Benjamin; Demadrille, Renaud; Welch, Gregory C.; Risko, Chad; Blanchard, Philippe; Cabanetos, Clément","Bromination of the benzothioxanthene Bloc: toward new π-conjugated systems for organic electronic applications","Journal of Materials Chemistry C","2018","6","4","761","","10.1039/C7TC05245F","","","1.54184","CuKα","","0.1064","0.0899","","","0.2408","0.2581","","","","","","1.016","","","","has coordinates,has disorder","236727","2020-10-21","18:00:00",""
"7237035","8.7379","0.0002","6.35286","0.0001","13.4028","0.0003","90","","90.3908","0.001","90","","743.98","0.03","100","","100","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0423","0.0389","","","0.1106","0.1152","","","","","","1.048","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7237036","4.03205","0.00008","21.1574","0.0004","7.31181","0.00013","90","","95.8008","0.0012","90","","620.56","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 S6 -","- C12 H6 S6 -","- C24 H12 S12 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0709","0.0531","","","0.1096","0.1343","","","","","","1.197","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7237037","7.25568","0.00014","13.4167","0.0003","8.21749","0.00016","90","","112.024","0.0012","90","","741.57","0.03","92","","92","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 S4 -","- C16 H14 S4 -","- C32 H28 S8 -","2","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0516","0.0443","","","0.1209","0.1315","","","","","","1.07","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7237038","12.6401","0.0002","8.67732","0.00018","13.7311","0.0003","90","","90","","90","","1506.06","0.05","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H10 S6 -","- C14 H10 S6 -","- C56 H40 S24 -","4","0.5","","Wang, Chengyuan; Nakamura, Hiroshi; Sugino, Hiroyoshi; Takimiya, Kazuo","Thiacycle-fused benzo[1,2-b:4,5-b′]dithiophenes (BDTs): synthesis, packing, molecular orientation and semiconducting properties","Journal of Materials Chemistry C","2018","6","14","3604","","10.1039/C7TC05317G","","","1.54187","CuKα","","0.0567","0.0515","","","0.1362","0.1401","","","","","","1.053","","","","has coordinates","236729","2020-10-21","18:00:00",""
"7237039","13.5975","0.0006","6.7176","0.0002","13.7523","0.0006","90","","97.379","0.004","90","","1245.77","0.09","290.18","0.19","290.18","0.19","","","","","","","","5","P 1 21 1","P 2yb","4","","DVFBT","","- C26 H26 F2 N2 S3 -","- C26 H26 F2 N2 S3 -","- C52 H52 F4 N4 S6 -","2","1","","Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zhengxu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun","A vinyl flanked difluorobenzothiadiazole‒dithiophene conjugated polymer for high performance organic field-effect transistors","Journal of Materials Chemistry C","2018","6","7","1774","","10.1039/C7TC05360F","","x-ray","1.54184","CuKα","","0.0879","0.0853","","","0.199","0.2061","","","","","","1.082","","","","has coordinates","236731","2020-10-21","18:00:00",""
"7237040","8.798","0.0015","13.21","0.003","13.288","0.002","113.098","0.014","104.841","0.014","97.14","0.014","1328.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","DVFBT","","- C26 H26 Br2 N2 S3 -","- C26 H26 Br2 N2 S3 -","- C52 H52 Br4 N4 S6 -","2","1","","Liang, Xianfeng; Sun, Wandong; Chen, Yanlin; Tan, Luxi; Cai, Zhengxu; Liu, Zitong; Wang, Lin; Li, Jing; Chen, Wei; Dong, Lichun","A vinyl flanked difluorobenzothiadiazole‒dithiophene conjugated polymer for high performance organic field-effect transistors","Journal of Materials Chemistry C","2018","6","7","1774","","10.1039/C7TC05360F","","","1.54178","CuKα","","0.0773","0.067","","","0.1903","0.1953","","","","","","1.262","","","","has coordinates","236731","2020-10-21","18:00:00",""
"7237041","7.784","0.003","12.896","0.003","13.706","0.005","62.522","0.019","88.17","0.04","79.78","0.04","1199.3","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H31 N5 O5 -","- C25 H31 N5 O5 -","- C50 H62 N10 O10 -","2","1","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.1731","0.1145","","","0.2616","0.2941","","","","","","1.077","","","","has coordinates","236733","2020-10-21","18:00:00",""
"7237042","15.3037","0.0009","15.4757","0.0003","16.3541","0.001","67.533","0.005","87.497","0.008","65.84","0.005","3236.4","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 Dy2 F60 N10 O30 -","- C100 H72 Cu2 Dy2 F60 N10 O30 -","- C100 H72 Cu2 Dy2 F60 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0651","0.0572","","","0.162","0.1679","","","","","","1.055","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237043","15.3234","0.001","15.4902","0.0003","16.3818","0.001","67.472","0.005","87.281","0.008","65.694","0.006","3245.1","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 N10 O30 Tb2 -","- C100 H72 Cu2 F60 N10 O30 Tb2 -","- C100 H72 Cu2 F60 N10 O30 Tb2 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0581","0.054","","","0.1575","0.1603","","","","","","1.076","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237044","15.298","0.003","15.4393","0.0011","16.307","0.002","67.667","0.012","87.938","0.016","65.82","0.01","3217.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 Gd2 N10 O30 -","- C100 H72 Cu2 F60 Gd2 N10 O30 -","- C100 H72 Cu2 F60 Gd2 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0548","0.0508","","","0.1523","0.155","","","","","","1.099","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237045","15.284","0.0011","15.4481","0.0006","16.3334","0.0011","67.586","0.005","87.787","0.006","65.763","0.005","3218.9","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H72 Cu2 F60 Ho2 N10 O30 -","- C100 H72 Cu2 F60 Ho2 N10 O30 -","- C100 H72 Cu2 F60 Ho2 N10 O30 -","1","0.5","","Li, Hongdao; Sun, Zan; Sun, Juan; Xi, Lu; Guo, Jianni; Sun, Guifang; Xie, Jing; Ma, Yue; Li, Licun","Single-molecule magnet behavior in a CuII-decorated {DyIII2} complex with nitronyl nitroxide biradicals","Journal of Materials Chemistry C","2018","6","8","2060","","10.1039/C7TC05377K","","","0.71073","MoKα","","0.0603","0.0561","","","0.1606","0.1636","","","","","","1.03","","","","has coordinates,has disorder","236733","2020-10-21","18:00:00",""
"7237046","10.9585","0.0005","10.9585","0.0005","10.9585","0.0005","90","","90","","90","","1315.99","0.1","296","2","296","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- O8 Te3 Ti -","- O8 Te3 Ti -","- O64 Te24 Ti8 -","8","0.166667","","Lu, Weiqun; Gao, Zeliang; Wu, Qian; Tian, Xiangxin; Sun, Youxuan; Liu, Yang; Tao, Xutang","Tailored fabrication of a prospective acousto‒optic crystal TiTe3O8 endowed with high performance","Journal of Materials Chemistry C","2018","6","10","2443","","10.1039/C7TC05382G","","","0.71073","MoKα","","0.0108","0.0108","","","0.0287","0.0287","","","","","","1.343","","","","has coordinates","236734","2020-10-21","18:00:00",""
"7237047","12.9832","0.0002","16.4632","0.0002","9.7224","0.0001","90","","103.823","0.001","90","","2017.93","0.05","215","0.1","215","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Khan, Asma; Zeb, Aurang; Li, Lina; Zhang, Weichuan; Sun, Zhihua; Wang, Yuyin; Luo, Junhua","A lead-free semiconducting hybrid with ultra-high color rendering index white-light emission","Journal of Materials Chemistry C","2018","6","11","2801","","10.1039/C7TC05384C","","","1.54184","CuKα","","0.0587","0.057","","","0.1367","0.14","","","","","","1.101","","","","has coordinates","236736","2020-10-21","18:00:00",""
"7237048","48.765","0.005","7.4625","0.0008","7.0053","0.0007","90","","96.573","0.004","90","","2532.5","0.5","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4-(Naphthalen-2-yl)benzo[c][1,2,5]thiadiazole","","- C16 H10 N2 S -","- C16 H10 N2 S -","- C128 H80 N16 S8 -","8","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C‒H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.087","0.0763","","","0.1899","0.2022","","","","","","1.109","","","","has coordinates","236738","2020-10-21","18:00:00",""
"7237049","8.4312","0.0008","9.1773","0.0009","10.6084","0.0011","83.752","0.004","69.103","0.003","87.077","0.003","762.22","0.13","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H12 N2 S -","- C22 H12 N2 S -","- C44 H24 N4 S2 -","2","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C‒H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0433","0.0361","","","0.095","0.0992","","","","","","1.065","","","","has coordinates","236738","2020-10-21","18:00:00",""
"7237050","35.191","0.002","35.191","","4.3928","0.0003","90","","90","","90","","5440.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 42/n :2","-P 4bc","86","","","","- C14 H6 F6 N2 Se -","- C14 H6 F6 N2 Se -","- C224 H96 F96 N32 Se16 -","16","2","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C‒H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0757","0.0614","","","0.1337","0.141","","","","","","1.09","","","","has coordinates,has disorder","236738","2020-10-21","18:00:00",""
"7237051","8.3373","0.0017","23.536","0.005","11.577","0.002","90","","111.527","0.007","90","","2113.3","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","4,7-Bis(3,5-bis(trifluoromethyl)phenyl)benzo[c][1,2,5]thiadiazole","","- C22 H8 F12 N2 S -","- C22 H8 F12 N2 S -","- C88 H32 F48 N8 S4 -","4","1","","Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri","Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C‒H bond arylations","Journal of Materials Chemistry C","2018","6","7","1731","","10.1039/C7TC05395A","","x-ray","0.71073","MoKα","","0.0899","0.0733","","","0.176","0.1858","","","","","","1.144","","","","has coordinates,has disorder","236738","2020-10-21","18:00:00",""
"7237052","23.4453","0.0016","13.4882","0.0009","41.77","0.003","90","","102.353","0.001","90","","12903.3","1.5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 F9 N9 O8 Yb Zn -","- C66 H50 F9 N9 O8 Yb Zn -","- C528 H400 F72 N72 O64 Yb8 Zn8 -","8","1","","Fu, Guorui; Guan, Jiaqing; Li, Baoning; Liu, Lin; He, Yani; Yu, Chao; Zhang, Zhao; Lü, Xingqiang","An efficient and weak efficiency-roll-off near-infrared (NIR) polymer light-emitting diode (PLED) based on a PVK-supported Zn2±-Yb3±containing metallopolymer","Journal of Materials Chemistry C","2018","6","15","4114","","10.1039/C7TC05400A","","","0.71073","MoKα","","0.0968","0.058","","","0.135","0.1533","","","","","","1.042","","","","has coordinates,has disorder","236740","2020-10-21","18:00:00",""
"7237053","11.0325","0.0004","13.8922","0.0005","17.6967","0.0008","100.024","0.004","94.455","0.004","109.496","0.004","2490.68","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H45 N3 -","- C65 H45 N3 -","- C130 H90 N6 -","2","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","1.54184","CuKα","","0.0889","0.078","","","0.2241","0.2348","","","","","","1.072","","","","has coordinates,has disorder","236742","2020-10-21","18:00:00",""
"7237054","8.1689","0.0012","11.2594","0.0009","17.439","0.002","96.245","0.009","91.993","0.013","101.903","0.01","1557.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 I N3 -","- C39 H27 I N3 -","- C78 H54 I2 N6 -","2","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","0.71073","MoKα","","0.1809","0.1382","","","0.3736","0.4207","","","","","","1.316","","","","has coordinates","236742","2020-10-21","18:00:00",""
"7237055","16.0838","0.0005","6.9446","0.0002","26.8363","0.0007","90","","91.926","0.003","90","","2995.8","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Br N3 -","- C39 H26 Br N3 -","- C156 H104 Br4 N12 -","4","1","","Ekbote, Anupama; Han, Si Hyun; Jadhav, Thaksen; Mobin, Shaikh M.; Lee, Jun Yeob; Misra, Rajneesh","Stimuli responsive AIE active positional isomers of phenanthroimidazole as non-doped emitters in OLEDs","Journal of Materials Chemistry C","2018","6","8","2077","","10.1039/C7TC05450E","","","0.71073","MoKα","","0.1815","0.063","","","0.1208","0.1661","","","","","","1.005","","","","has coordinates","236742","2020-10-21","18:00:00",""
"7237056","15.88","0.004","15.715","0.004","14.354","0.004","90","","113.086","0.003","90","","3295.2","1.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tin(II) 2,3-naphthalocyanine","","- C48 H24 N8 Sn -","- C48 H24 N8 Sn -","- C192 H96 N32 Sn4 -","4","1","","Dalgleish, Simon; Reissig, Louisa; Shuku, Yoshiaki; Gourlaouen, Christophe; Vela, Sergi; Awaga, Kunio","Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications","Journal of Materials Chemistry C","2018","6","8","1959","","10.1039/C7TC05521H","","","0.71075","MoKα","","0.0542","0.0416","","","0.082","0.0902","","","","","","1.094","","","","has coordinates","236744","2020-10-21","18:00:00",""
"7237057","15.936","0.003","15.797","0.003","14.536","0.003","90","","113.069","0.002","90","","3366.7","1.1","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tin(II) 2,3-naphthalocyanine","","- C48 H24 N8 Sn -","- C48 H24 N8 Sn -","- C192 H96 N32 Sn4 -","4","1","","Dalgleish, Simon; Reissig, Louisa; Shuku, Yoshiaki; Gourlaouen, Christophe; Vela, Sergi; Awaga, Kunio","Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications","Journal of Materials Chemistry C","2018","6","8","1959","","10.1039/C7TC05521H","","","0.71075","MoKα","","0.0648","0.0475","","","0.1007","0.112","","","","","","1.079","","","","has coordinates","236744","2020-10-21","18:00:00",""
"7237058","28.1564","0.0014","28.1564","0.0014","32.14","0.003","90","","90","","120","","22066","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C28 H18 O4.33 Zn1.33 -","- C28 H18 O4.33333 Zn1.33333 -","- C504 H324 O78 Zn24 -","18","1","","Liu, Xun-Gao; Tao, Chen-Lei; Yu, Huang-Qin; Chen, Bin; Liu, Zhen; Zhu, Gen-Ping; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","A new luminescent metal‒organic framework based on dicarboxyl-substituted tetraphenylethene for efficient detection of nitro-containing explosives and antibiotics in aqueous media","Journal of Materials Chemistry C","2018","6","12","2983","","10.1039/C7TC05535H","","","0.71073","MoKα","","0.1291","0.0592","","","0.133","0.1425","","","","","","1.033","","","","has coordinates,has disorder","236746","2020-10-21","18:00:00",""
"7237059","9.2776","0.0004","11.134","0.0007","18.0446","0.0004","95.121","0.003","96.138","0.003","103.446","0.004","1789.87","0.15","160","80","160","80","","","","","","","","3","P -1","-P 1","2","","PPZTPI","","- C49 H38 N4 -","- C49 H38 N4 -","- C98 H76 N8 -","2","1","","Huang, Zhi; Xiang, Songpo; Zhang, Qing; Lv, Xialei; Ye, Shaofeng; Guo, Runda; Wang, Lei","Highly efficient green organic light emitting diodes with phenanthroimidazole-based thermally activated delayed fluorescence emitters","Journal of Materials Chemistry C","2018","6","9","2379","","10.1039/C7TC05576E","","x-ray","1.54184","CuKα","","0.0827","0.0719","","","0.2192","0.2288","","","","","","1.1","","","","has coordinates","236748","2020-10-21","18:00:00",""
"7237060","29.403","0.003","20.8279","0.0019","16.9132","0.0017","90","","111.067","0.002","90","","9665.4","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H96 Cd3 N10 O25 -","- C72 H54 Cd3 N4 O19 -","- C288 H216 Cd12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Wang, Shi-Cheng; Gu, Minli; Zheng, Jia-Qi; Han, Lei","Highly selective luminescent sensor for CCl4 vapor and pollutional anions/cations based on a multi-responsive MOF","Journal of Materials Chemistry C","2018","6","8","2010","","10.1039/C7TC05707E","","","0.71073","MoKα","","0.098","0.0682","","","0.2168","0.2453","","","","","","1.089","","","","has coordinates","236750","2020-10-21","18:00:00",""
"7237061","14.8602","0.0013","19.5839","0.0017","22.2821","0.0018","102.48","0.002","91.023","0.002","97.659","0.003","6267.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","TPE TriMacrocycle","","- C127 H126 Cl9 N5 O18 -","- C127 H126 Cl9 N5 O18 -","- C254 H252 Cl18 N10 O36 -","2","1","","Qiao, Wei-Guo; Xiong, Jia-Bin; Yuan, Ying-Xue; Zhang, Hong-Chao; Yang, Dong; Liu, Minghua; Zheng, Yan-Song","Chiroptical property of TPE triangular macrocycle crown ethers from propeller-like chirality induced by chiral acids","Journal of Materials Chemistry C","2018","6","13","3427","","10.1039/C7TC05759H","","","0.71073","MoKα","","0.2594","0.1456","","","0.3782","0.4488","","","","","","1.355","","","","has coordinates,has disorder","236752","2020-10-21","18:00:00",""
"7237062","11.1664","0.0011","21.792","0.002","13.6426","0.0011","90","","102.995","0.007","90","","3234.7","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Cl3 O2 -","- C43 H29 Cl3 O2 -","- C172 H116 Cl12 O8 -","4","1","","Ly, Jack T.; Lopez, Steven A.; Lin, Janice B.; Kim, Jae Joon; Lee, Hyunbok; Burnett, Edmund K.; Zhang, Lei; Aspuru-Guzik, Alán; Houk, K. N.; Briseno, Alejandro L.","Oxidation of rubrene, and implications for device stability","Journal of Materials Chemistry C","2018","6","14","3757","","10.1039/C7TC05775J","","","1.54178","CuKα","","0.1098","0.068","","","0.1667","0.2027","","","","","","1.123","","","","has coordinates,has disorder","236753","2020-10-21","18:00:00",""
"7237063","9.6112","0.0001","11.7137","0.0002","13.927","0.0002","107.974","0.0008","106.671","0.0007","100.746","0.0008","1362.13","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H29 O -","- C39 H29 O -","- C78 H58 O2 -","2","1","","Ly, Jack T.; Lopez, Steven A.; Lin, Janice B.; Kim, Jae Joon; Lee, Hyunbok; Burnett, Edmund K.; Zhang, Lei; Aspuru-Guzik, Alán; Houk, K. N.; Briseno, Alejandro L.","Oxidation of rubrene, and implications for device stability","Journal of Materials Chemistry C","2018","6","14","3757","","10.1039/C7TC05775J","","","0.71073","MoKα","","0.071","0.0489","","","0.1221","0.1385","","","","","","1.055","","","","has coordinates,has disorder","236753","2020-10-21","18:00:00",""
"7237064","12.783","0.003","41.28","0.008","8.161","0.0016","90","","90","","90","","4306.4","1.6","296","2","296","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C13 H5 Mn N O4 -","- C13 H5 Mn N O4 -","- C208 H80 Mn16 N16 O64 -","16","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0825","0.0682","","","0.2047","0.2418","","","","","","1.008","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237065","8.6821","0.0006","10.2379","0.0007","12.094","0.0009","68.497","0.002","84.952","0.002","89.683","0.002","995.88","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","- C44 H38 Mn2 N8 O9 -","1","0.5","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0854","0.0505","","","0.1151","0.1292","","","","","","1.015","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237066","13.2825","0.0007","16.7322","0.001","17.9666","0.0011","90","","90","","90","","3993","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 Mn2 N8 O10 -","- C44 H38 Mn2 N8 O10 -","- C176 H152 Mn8 N32 O40 -","4","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.1849","0.0684","","","0.0788","0.1016","","","","","","1","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237067","10.109","0.005","10.461","0.005","12.102","0.006","67.592","0.007","68.056","0.007","84.45","0.007","1095.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Mn N5 O5 -","- C20 H13 Mn N4 O4 -","- C40 H26 Mn2 N8 O8 -","2","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.0541","0.0382","","","0.0878","0.094","","","","","","1.052","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237068","7.469","0.005","8.644","0.005","10.23","0.007","88.12","0.05","88.89","0.05","71.28","0.06","625.2","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 B F4 N2 O2 -","- C8 H17 B F4 N2 O2 -","- C16 H34 B2 F8 N4 O4 -","2","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0882","0.0735","","","0.2072","0.2205","","","","","","1.029","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237069","11.034","0.0004","15.227","0.0005","24.4497","0.0008","90","","90","","90","","4107.9","0.2","100","2","100","2","","","","","","","","5","P c n b","-P 2b 2ac","60","","","","- C16 H26 B2 F8 N4 -","- C16 H26 B2 F8 N4 -","- C128 H208 B16 F64 N32 -","8","1","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0996","0.0567","","","0.147","0.1638","","","","","","0.91","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237070","9.79","0.004","12.442","0.005","11.16","0.004","90","","90","","90","","1359.4","0.9","250","2","250","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8.008 N2 -","- C32 H56 B8 F32.032 N8 -","4","0.25","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.109","0.0724","","","0.2256","0.2722","","","","","","1.035","","","","has coordinates,has disorder","236805","2020-10-21","18:00:00",""
"7237071","10.87","0.004","9.528","0.003","12.575","0.005","90","","90","","90","","1302.4","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 B2 F8 N2 -","- C8 H14 B2 F8 N2 -","- C32 H56 B8 F32 N8 -","4","0.5","","Rok, M.; Szklarz, P.; Bator, G.","Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine","CrystEngComm","2018","20","38","5772","","10.1039/C8CE01231H","","","0.71073","MoKα","","0.0686","0.0558","","","0.1595","0.1745","","","","","","1.047","","","","has coordinates","236805","2020-10-21","18:00:00",""
"7237072","9.2852","0.0005","9.4826","0.0005","18.6899","0.0009","94.913","0.001","91.446","0.001","112.488","0.001","1511.88","0.14","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","2","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0465","0.0355","","","0.0807","0.0876","","","","","","1.038","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237073","10.409","0.002","11.604","0.002","12.093","0.002","62.633","0.004","72.031","0.004","66.239","0.004","1173.5","0.4","303","2","303","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Cd N4 O4 -","- C28 H18 Cd N4 O4 -","- C56 H36 Cd2 N8 O8 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0281","0.0267","","","0.0837","0.0848","","","","","","1.015","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237074","14.142","0.0009","16.0637","0.001","19.8005","0.0013","90","","90","","90","","4498.1","0.5","297","2","297.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C28 H18 N4 O4 Zn -","- C28 H18 N4 O4 Zn -","- C224 H144 N32 O32 Zn8 -","8","0.5","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0462","0.0395","","","0.1026","0.108","","","","","","1.053","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237075","10.4915","0.0006","12.594","0.0006","13.9443","0.0007","100.636","0.001","106.305","0.001","103.497","0.001","1656.63","0.15","294","2","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cd N4 O6 -","- C34 H24 Cd N4 O6 -","- C68 H48 Cd2 N8 O12 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.041","0.0341","","","0.09","0.0922","","","","","","1.132","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237076","10.4474","0.0013","12.4603","0.0016","13.9284","0.0018","101.248","0.003","108.513","0.003","103.284","0.003","1601.2","0.4","300","2","300.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H22 N4 O5 Zn -","- C34 H22 N4 O5 Zn -","- C68 H44 N8 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.1264","0.078","","","0.1843","0.1997","","","","","","1.1","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237077","9.634","0.0007","12.2099","0.0008","12.9166","0.0009","68.118","0.002","76.862","0.002","81.009","0.002","1368.7","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd N5 O5 -","- C31 H24 Cd N5 O5 -","- C62 H48 Cd2 N10 O10 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0293","0.0254","","","0.0648","0.068","","","","","","1.085","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237078","9.3633","0.0005","12.1048","0.0007","13.7443","0.0007","69.881","0.001","72.148","0.001","76.809","0.002","1379.11","0.13","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N5 O5 Zn -","- C31 H25 N5 O5 Zn -","- C62 H50 N10 O10 Zn2 -","2","1","","Yao, Shu-Li; Zheng, Teng-Fei; Tian, Xue-Mei; Liu, Sui-Jun; Cao, Chen; Zhu, Ze-Hao; Chen, Yong-Qiang; Chen, Jing-Lin; Wen, He-Rui","Dicarboxylate-induced structural diversity of luminescent ZnII/CdII coordination polymers derived from V-shaped bis-benzimidazole","CrystEngComm","2018","20","38","5822","","10.1039/C8CE01261J","","","0.71073","MoKα","","0.0357","0.0291","","","0.07","0.0737","","","","","","1.046","","","","has coordinates","236807","2020-10-21","18:00:00",""
"7237079","14.745","0.003","14.745","0.003","14.745","0.003","90","","90","","90","","3205.8","1.1","298","2","298","2","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","DAP-O12","","- C6 H14 Cl3 K N2 O13 -","- C6.0048 H14.0112 Cl3 K N2.0016 O13.0008 -","- C48.0384 H112.09 Cl24 K8 N16.0128 O104.006 -","8","0.0416667","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.0679","0.0412","","","0.1041","0.1251","","","","","","1.052","","","","has coordinates,has disorder","236809","2020-10-21","18:00:00",""
"7237080","10.1521","0.0002","9.7195","0.0002","13.1621","0.0003","90","","91.9","0.002","90","","1298.03","0.05","223","0.1","223","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PAP-1","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","0.71073","MoKα","","0.0808","0.0505","","","0.1171","0.1403","","","","","","1.043","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237081","14.6921","0.0005","10.4526","0.0004","10.0448","0.0003","90","","91.171","0.003","90","","1542.26","0.09","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 Cl3 K N2 O13 -","- C6 H14 Cl3 K N2 O13 -","- C24 H56 Cl12 K4 N8 O52 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","","0.71073","MoKα","","0.1002","0.0759","","","0.2048","0.2241","","","","","","1.086","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237082","10.1689","0.0004","9.7312","0.0004","13.2985","0.0006","90","","91.993","0.004","90","","1315.16","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Cl3 N2 Na O12 -","- C4 H12 Cl3 N2 Na O12 -","- C16 H48 Cl12 N8 Na4 O48 -","4","1","","Chen, Shao-Li; Shang, Yu; He, Chun-Ting; Sun, Lin-Ying; Ye, Zi-Ming; Zhang, Wei-Xiong; Chen, Xiao-Ming","Optimizing the oxygen balance by changing the A-site cations in molecular perovskite high-energetic materials","CrystEngComm","2018","20","46","7458","","10.1039/C8CE01350K","","x-ray","1.54184","CuKα","","0.0788","0.0731","","","0.2007","0.2103","","","","","","1.0292","","","","has coordinates","236809","2020-10-21","18:00:00",""
"7237083","8.059","0.004","14.506","0.006","21.978","0.01","90","","90.494","0.011","90","","2569","2","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 I N2 Se -","- C21 H40 I N2 Se -","- C84 H160 I4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0445","0.0309","","","0.0745","0.0773","","","","","","0.945","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237084","12.513","0.0013","14.1548","0.0018","17.6517","0.0018","90","","101.041","0.007","90","","3068.6","0.6","200","2","200","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C26 H44 Cl N3 Se2 -","- C26 H44 Cl N3 Se2 -","- C104 H176 Cl4 N12 Se8 -","4","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1513","0.0909","","","0.1968","0.2367","","","","","","1.176","","","","has coordinates,has disorder","236811","2020-10-21","18:00:00",""
"7237085","12.145","0.004","8.651","0.002","26.55","0.008","90","","96.341","0.007","90","","2772.4","1.4","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 I2 N6 Se4 -","- C46 H82 I2 N6 Se4 -","- C92 H164 I4 N12 Se8 -","2","0.5","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.0554","0.0322","","","0.0679","0.073","","","","","","0.976","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237086","7.855","0.0012","14.479","0.002","21.667","0.003","90","","90.775","0.003","90","","2464","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 Br N2 Se -","- C21 H40 Br N2 Se -","- C84 H160 Br4 N8 Se4 -","4","1","","Kumar, Vijith; Leroy, César; Bryce, David L.","Halide ion recognition via chalcogen bonding in the solid state and in solution. Directionality and linearity","CrystEngComm","2018","20","41","6406","","10.1039/C8CE01365A","","","0.71073","MoKα","","0.1103","0.0571","","","0.1463","0.1633","","","","","","0.901","","","","has coordinates","236811","2020-10-21","18:00:00",""
"7237087","9.9885","0.0002","11.9939","0.0002","14.1518","0.0003","90","","90","","90","","1695.4","0.06","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C10 H22 Cu2 O13 -","- C10 H22 Cu2 O13 -","- C40 H88 Cu8 O52 -","4","0.5","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0225","0.0213","","","0.0489","0.0494","","","","","","1.053","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237088","11.5965","0.0008","11.5965","0.0008","10.5437","0.0006","90","","90","","120","","1227.94","0.14","293","2","293","2","","","","","","","","4","P 65","P 65","170","","","","- C5 H6 Cu O6 -","- C5 H6 Cu O6 -","- C30 H36 Cu6 O36 -","6","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0558","0.0509","","","0.1333","0.1356","","","","","","1.159","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237089","9.77","0.003","9.921","0.003","14.477","0.003","90","","90","","90","","1403.2","0.7","293","2","293","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C5 H8 Cu O5 -","- C5 H8 Cu O5 -","- C40 H64 Cu8 O40 -","8","1","","Pasán, Jorge; Sanchiz, Joaquín; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Magnetostructural relationships in polymorphic ethylmalonate-containing copper(ii) coordination polymers","CrystEngComm","2018","20","46","7464","","10.1039/C8CE01595C","","x-ray","0.71073","MoKα","","0.0759","0.0458","","","0.0894","0.098","","","","","","1.031","","","","has coordinates","236814","2020-10-21","18:00:00",""
"7237090","14.87","0.003","8.115","0.0018","15.295","0.004","90","","106.026","0.003","90","","1773.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br O3 P -","- C19 H16 Br O3 P -","- C76 H64 Br4 O12 P4 -","4","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0395","0.0291","","","0.0756","0.0791","","","","","","1.033","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237091","32.26","0.03","16.224","0.015","7.12","0.007","90","","90","","90","","3727","6","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H21 O3 P -","- C21 H21 O3 P -","- C168 H168 O24 P8 -","8","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0355","0.0325","","","0.0835","0.0851","","","","","","1.049","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237092","12.451","0.0007","18.5872","0.001","7.9138","0.0005","90","","90","","90","","1831.48","0.18","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 O5 P -","- C20 H19 O5 P -","- C80 H76 O20 P4 -","4","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0429","0.0362","","","0.0867","0.0919","","","","","","1.041","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237093","11.472","0.009","17.116","0.013","18.24","0.014","90","","90","","90","","3582","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Br O3 P -","- C19 H16 Br O3 P -","- C152 H128 Br8 O24 P8 -","8","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.1216","0.0705","","","0.1681","0.1873","","","","","","1.064","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237094","18.086","0.01","11.245","0.006","17.491","0.01","90","","98.109","0.007","90","","3522","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 O3 P -","- C20 H19 O3 P -","- C160 H152 O24 P8 -","8","1","","Shen, Ruwei; Zhang, Ming; Xiao, Jing; Dong, Chao; Han, Li-Biao","Ph3P-mediated highly selective C(α)‒P coupling of quinone monoacetals with R2P(O)H: convenient and practical synthesis of ortho-phosphinyl phenols","Green Chemistry","2018","20","22","5111","","10.1039/C8GC02918K","","","0.71073","MoKα","","0.0805","0.0478","","","0.1161","0.1287","","","","","","1.053","","","","has coordinates","236864","2020-10-21","18:00:00",""
"7237095","14.713","0.008","13.235","0.007","20.922","0.008","90","","121.21","0.03","90","","3484","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 B2 Co F8 N12.5 O4 -","- C25 H24 B2 Co F8 N12.5 O4 -","- C100 H96 B8 Co4 F32 N50 O16 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.1872","0.0973","","","0.2694","0.3368","","","","","","1.035","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237096","14.286","0.008","13.218","0.007","23.014","0.009","90","","128.37","0.02","90","","3407","3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl2 Co N12 O14 -","- C25 H24 Cl2 Co N12 O14 -","- C100 H96 Cl8 Co4 N48 O56 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.2278","0.1234","","","0.3048","0.3605","","","","","","1.25","","","","has coordinates,has disorder","237381","2020-10-21","18:00:00",""
"7237097","8.472","0.01","9.58","0.011","27.64","0.03","90","","99.09","0.03","90","","2215","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl Co N10 O4 -","- C22 H20 Cl Co N10 O4 -","- C88 H80 Cl4 Co4 N40 O16 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.223","0.1643","","","0.3939","0.4227","","","","","","1.132","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237098","14.826","0.004","13.366","0.004","18.433","0.005","90","","102.714","0.007","90","","3563.2","1.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl2 Co N12 O13 -","- C25 H24 Cl2 Co N12 O13 -","- C100 H96 Cl8 Co4 N48 O52 -","4","1","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.2189","0.1001","","","0.2484","0.3089","","","","","","1.044","","","","has coordinates,has disorder","237381","2020-10-21","18:00:00",""
"7237099","12.408","0.002","19.368","0.003","9.808","0.0016","90","","90","","90","","2357","0.7","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C26 H22 Cl0 Co N8 O2 -","- C26 H22 Co N8 O2 -","- C104 H88 Co4 N32 O8 -","4","0.5","","Huang, Wei; Li, Yujie; Yong, Juan; Liu, Yang; Wu, Dayu","Hydrazone-based cobalt complexes toward multielectron redox and spin crossover","RSC Advances","2018","8","31","17159","","10.1039/C8RA02963F","","","0.71073","MoKα","","0.0435","0.0427","","","0.1522","0.153","","","","","","1.098","","","","has coordinates","237381","2020-10-21","18:00:00",""
"7237100","21.7483","0.0019","9.205","0.0007","13.1074","0.0015","90","","123.852","0.007","90","","2179.2","0.4","296","2","296","2","","","","","","","","4","C 1","C 1","1","","","","- C23 H27 N2 O4 -","- C23 H27 N2 O4 -","- C92 H108 N8 O16 -","4","","","Murthy, V. Narayana; Nikumbh, Satish P.; Tadiparthi, Krishnaji; Madhubabu, M. V.; Jammula, Subba Rao; Rao, L. Vaikunta; Raghunadh, Akula","Amberlite-15 promoted an unprecedented aza Michael rearrangement for one pot synthesis of dihydroquinazolinone compounds","RSC Advances","2018","8","40","22331","","10.1039/C8RA03308K","","","0.71073","MoKα","","0.0606","0.0513","","","0.1483","0.159","","","","","","1.029","","","","has coordinates","237384","2020-10-21","18:00:00",""
"7237101","11.2243","0.0006","15.3677","0.0007","13.7853","0.0006","90","","112.65","0.006","90","","2194.5","0.2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cu N2 Se -","- C21 H24 Br Cu N2 Se -","- C84 H96 Br4 Cu4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0674","0.0556","","","0.1715","0.2135","","","","","","1.0298","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237102","11.0627","0.0005","15.3677","0.0006","13.7074","0.0006","90","","113.378","0.005","90","","2139.06","0.18","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl Cu N2 S -","- C21 H24 Cl Cu N2 S -","- C84 H96 Cl4 Cu4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0656","0.0506","","","0.145","0.17","","","","","","1.0623","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237103","16.4174","0.0002","16.4174","0.0002","22.1831","0.0004","90","","90","","90","","5979.03","0.15","298","","298","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C21 H33 B Cu F4 N6 Se3 -","- C21 H33 B Cu F4 N6 Se3 -","- C168 H264 B8 Cu8 F32 N48 Se24 -","8","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0478","0.0395","","","0.1024","0.112","","","","","","1.0445","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237104","8.3465","0.0002","19.333","0.0005","13.4761","0.0003","90","","96.742","0.002","90","","2159.51","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl2 Cu2 N4 Se2 -","- C42 H48 Cl2 Cu2 N4 Se2 -","- C84 H96 Cl4 Cu4 N8 Se4 -","2","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0544","0.0462","","","0.1341","0.1519","","","","","","1.0365","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237105","19.5751","0.0008","16.3426","0.0004","20.4314","0.001","90","","113.637","0.005","90","","5987.8","0.5","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cu F6 N4 P Se2 -","- C54 H72 Cu F6 N4 P Se2 -","- C216 H288 Cu4 F24 N16 P4 Se8 -","4","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0665","0.0542","","","0.1516","0.1697","","","","","","1.045","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237106","11.5024","0.0012","15.4127","0.0014","13.6155","0.0016","90","","112.632","0.013","90","","2227.9","0.5","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu I N2 S -","- C21 H24 Cu I N2 S -","- C84 H96 Cu4 I4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.1159","0.0851","","","0.2421","0.322","","","","","","1.0724","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237107","11.5428","0.0005","15.3915","0.0008","13.7448","0.0007","90","","112.364","0.005","90","","2258.2","0.2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cu I N2 Se -","- C21 H24 Cu I N2 Se -","- C84 H96 Cu4 I4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0623","0.049","","","0.1323","0.1511","","","","","","1.0257","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237108","11.2063","0.0002","15.38","0.0003","13.6241","0.0003","90","","112.809","0.002","90","","2164.53","0.08","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br Cu N2 S -","- C21 H24 Br Cu N2 S -","- C84 H96 Br4 Cu4 N8 S4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0517","0.0429","","","0.1159","0.126","","","","","","1.0347","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237109","9.8486","0.0004","10.772","0.0003","8.097","0.0003","90","","103.735","0.004","90","","834.44","0.05","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 Cu I N2 Se -","- C5 H7 Cu I N2 Se -","- C20 H28 Cu4 I4 N8 Se4 -","4","1","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","0.71073","MoKα","","0.0572","0.0443","","","0.1237","0.1395","","","","","","1.0069","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237110","26.6333","0.0012","16.1396","0.0006","18.2784","0.0008","90","","110.048","0.005","90","","7380.9","0.6","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H60 Cu4 I4 N2 P4 -","- C76 H60 Cu4 I4 N2 P4 -","- C304 H240 Cu16 I16 N8 P16 -","4","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","","1.54184","CuKα","","0.0917","0.079","","","0.2104","0.2419","","","","","","1.0268","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237111","8.4401","0.0002","18.318","0.0004","14.4474","0.0003","90","","98.023","0.002","90","","2211.79","0.09","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cu F6 N4 P Se2 -","- C42 H48 Cu F6 N4 P Se2 -","- C84 H96 Cu2 F12 N8 P2 Se4 -","2","0.5","","Srinivas, Katam; Prabusankar, Ganesan","Role of C, S, Se and P donor ligands in copper(i) mediated C‒N and C‒Si bond formation reactions","RSC Advances","2018","8","56","32269","","10.1039/C8RA06057F","","x-ray","1.54184","CuKα","","0.0588","0.0472","","","0.1319","0.1522","","","","","","1.04","","","","has coordinates","237387","2020-10-21","18:00:00",""
"7237112","4.6642","0.0006","15.3824","0.0018","13.1613","0.0016","90","","90","","90","","944.3","0.2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K Mg4 Sb3 -","- K Mg4 Sb3 -","- K4 Mg16 Sb12 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0303","0.022","","","0.038","0.0405","","","","","","1.1","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237113","13.124","0.003","7.8217","0.0016","13.235","0.003","90","","90","","90","","1358.6","0.5","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs2 Mg5 Sb4 -","- Cs2 Mg5 Sb4 -","- Cs8 Mg20 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.07","0.0447","","","0.0967","0.1124","","","","","","1.034","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237114","13.047","0.011","7.813","0.007","13.084","0.012","90","","90","","90","","1334","2","90","2","90","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Rb2 Sb4 -","- Mg5 Rb2 Sb4 -","- Mg20 Rb8 Sb16 -","4","0.25","","Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill","Phonon glass behavior beyond traditional cage structures: synthesis, crystal and electronic structure, and properties of KMg4Sb3","Journal of Materials Chemistry A","2018","6","11","4759","","10.1039/C8TA00553B","","","0.71073","MoKα","","0.0392","0.0259","","","0.0507","0.0566","","","","","","1.054","","","","has coordinates","237424","2020-10-21","18:00:00",""
"7237115","9.3736","0.0009","9.8299","0.0012","16.506","0.002","86.875","0.01","85.566","0.009","66.162","0.011","1386.5","0.3","143","0.1","143","0.1","","","","","","","","5","P -1","-P 1","2","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-oxocyclobut-1-enolate","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C60 H72 N4 O6 S2 -","2","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.1962","0.1294","","","0.2143","0.2434","","","","","","1.068","","","","has coordinates,has disorder","237426","2020-10-21","18:00:00",""
"7237116","8.9009","0.0005","29.0765","0.0017","11.744","0.0006","90","","105.91","0.006","90","","2923","0.3","143","0.1","143","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-((3-Butylbenzo[d]thiazol-3-ium-2-yl)methylene)-2-(4-(dibutylamino)-2-hydroxyphenyl)-3-(dicyanomethylene)-cyclobut-1-enolate","","- C33 H36 N4 O2 S -","- C33 H36 N4 O2 S -","- C132 H144 N16 O8 S4 -","4","1","","Wu, Jianglin; Yang, Daobin; Wang, Qingfen; Yang, Lin; Sasabe, Hisahiro; Sano, Takeshi; Kido, Junji; Lu, Zhiyun; Huang, Yan","Central dicyanomethylene-substituted unsymmetrical squaraines and their application in organic solar cells","Journal of Materials Chemistry A","2018","6","14","5797","","10.1039/C8TA00750K","","x-ray","0.71073","MoKα","","0.0925","0.0632","","","0.1387","0.1552","","","","","","1.034","","","","has coordinates","237426","2020-10-21","18:00:00",""
"7237117","31.859","0.007","16.153","0.004","16.23","0.007","90","","94.79","0.03","90","","8323","5","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H82 F4 N4 O2 S2 Se2 -","- C98 H82 F4 N4 O2 S2 Se2 -","- C392 H328 F16 N16 O8 S8 Se8 -","4","0.5","","Liang, Ziqi; Li, Miaomiao; Zhang, Xiaomei; Wang, Qi; Jiang, Yu; Tian, Hongkun; Geng, Yanhou","Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells","Journal of Materials Chemistry A","2018","6","17","8059","","10.1039/C8TA00783G","","","0.71073","MoKα","","0.2002","0.1058","","","0.263","0.3438","","","","","","1.027","","","","has coordinates,has disorder","237428","2020-10-21","18:00:00",""
"7237118","16.2679","0.0002","16.2679","0.0002","84.1291","0.0012","90","","90","","120","","19281.5","0.4","150","","150","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C78 H73.92 Na3.96 O47.96 S6 Zr6 -","- C468 H443.52 Na23.76 O287.76 S36 Zr36 -","6","0.166667","","Xing, Wen-Hao; Li, Hai-Yang; Dong, Xi-Yan; Zang, Shuang-Quan","Robust multifunctional Zr-based metal‒organic polyhedra for high proton conductivity and selective CO2 capture","Journal of Materials Chemistry A","2018","6","17","7724","","10.1039/C8TA00858B","","","1.54184","CuKα","","0.0512","0.048","","","0.1463","0.1489","","","","","","1.086","","","","has coordinates,has disorder","237430","2020-10-21","18:00:00",""
"7237119","10.624","0.002","19.309","0.004","19.483","0.004","63.46","0.03","77.79","0.03","83.38","0.03","3493.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C115 H155 N9 O53 Zr6 -","- C86 H54 O32 Zr6 -","- C86 H54 O32 Zr6 -","1","0.5","","Sun, Xiaodong; Yao, Shuo; Yu, Chengyang; Li, Guanghua; Liu, Chunming; Huo, Qisheng; Liu, Yunling","An ultrastable Zr-MOF for fast capture and highly luminescence detection of Cr2O72− simultaneously in an aqueous phase","Journal of Materials Chemistry A","2018","6","15","6363","","10.1039/C8TA01060A","","","0.71073","MoKα","","0.0688","0.0506","","","0.137","0.1455","","","","","","0.98","","","","has coordinates,has disorder","237432","2020-10-21","18:00:00",""
"7237120","11.061","0.005","11.061","0.005","14.622","0.005","90","","90","","120","","1549.3","1.1","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","tris(1,1-ditetrazolylpropane) copper(II) diperchlorate","","- C15 H24 Cl2 Cu N24 O8 -","- C15 H24 Cl2 Cu N24 O8 -","- C30 H48 Cl4 Cu2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0452","0.0329","","","0.0822","0.0927","","","","","","1.099","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237121","9.807","0.0002","10.725","0.0002","11.183","0.0003","90","","105.128","0.002","90","","1135.47","0.05","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-ditetrazolylpropanyl silver(I) perchlorate","1,2-ditetrazolylpropanyl silver(I) perchlorate'","","- C5 H8 Ag Cl N8 O4 -","- C5 H8 Ag Cl N8 O4 -","- C20 H32 Ag4 Cl4 N32 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0189","0.017","","","0.0403","0.0413","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237122","10.6063","0.0006","6.5631","0.0004","11.7632","0.0007","90","","90.685","0.005","90","","818.78","0.08","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-ditetrazolylpropane","1,2-ditetrazolylpropane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0365","0.031","","","0.0787","0.0839","","","","","","1.055","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237123","11.1661","0.0002","11.1661","0.0002","14.7523","0.0004","90","","90","","120","","1592.92","0.06","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","tris(1,1-ditetrazolylpropane) manganese(II) diperchlorate","","- C15 H24 Cl2 Mn N24 O8 -","- C15 H24 Cl2 Mn N24 O8 -","- C30 H48 Cl4 Mn2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0332","0.0292","","","0.0782","0.0825","","","","","","1.083","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237124","11.0824","0.0003","11.0824","0.0003","14.7279","0.0008","90","","90","","120","","1566.53","0.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate","tris(1,1-ditetrazolylpropane) zinc(II) diperchlorate'","","- C15 H24 Cl2 N24 O8 Zn -","- C15 H24 Cl2 N24 O8 Zn -","- C30 H48 Cl4 N48 O16 Zn2 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0744","0.0397","","","0.0881","0.105","","","","","","1.023","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237125","13.226","0.0006","13.786","0.0008","20.222","0.0008","99.253","0.004","102.001","0.004","114.596","0.005","3150","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","1,2-ditetrazolylpropane copper(II) perchlorate","1,2-ditetrazolylpropane copper(II) perchlorate","","- C30 H48 Cl4 Cu2 N48 O16 -","- C30 H48 Cl4 Cu2 N48 O16 -","- C60 H96 Cl8 Cu4 N96 O32 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.0893","0.0651","","","0.1665","0.186","","","","","","1.032","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237126","10.2283","0.001","10.967","0.0012","16.3177","0.0015","90","","90","","90","","1830.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,3-di-1,tetrazolyl-propane monohydrate","1,3-di-1,tetrazolyl-propane monohydrate","","- C5 H10 N8 O -","- C5 H10 N8 O -","- C40 H80 N64 O8 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.04","0.0301","","","0.0716","0.0772","","","","","","1.045","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237127","27.0187","0.001","18.508","0.0006","15.4569","0.0005","90","","124.91","0.001","90","","6338.5","0.4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","tris(1,3-ditetrazol-1-ylpropane) copper(II) dinitramide","","- C15 H24 Cu N30 O8 -","- C15 H24 Cu N30 O8 -","- C120 H192 Cu8 N240 O64 -","8","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71073","MoKα","","0.038","0.0283","","","0.0703","0.0774","","","","","","1.052","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237128","9.467","0.0005","10.314","0.0005","14.0761","0.0007","90.39","0.004","92.808","0.004","98.412","0.004","1357.87","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide","diaqua bis(di(5H-tetrazol1-yl)propyl) copper(II) cyanodinitromethanide'","","- C14 H20 Cu N22 O10 -","- C14 H20 Cu N22 O10 -","- C28 H40 Cu2 N44 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0371","0.0293","","","0.0688","0.0735","","","","","","1.034","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237129","11.085","0.005","11.085","0.005","14.554","0.005","90","0.005","90","0.005","120","0.005","1548.8","1.1","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris-1,3(ditetrazol-1-yl)propane cobalt(II) diperchlorate","tris(1,3-ditetrazol-1-yl)propane cobalt(II) diperchlorate","","- C15 H24 Cl2 Co N24 O8 -","- C15 H24 Cl2 Co N24 O8 -","- C30 H48 Cl4 Co2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","","0.71069","MoKα","","0.0351","0.0309","","","0.0772","0.0823","","","","","","1.091","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237130","10.945","0.0004","10.945","0.0004","14.517","0.0005","90","","90","","120","","1506.05","0.09","123","2","123","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","tris(1,1-ditetrazolylpropane) iron(II) perchlorate","","- C15 H24 Cl2 Fe N24 O8 -","- C15 H24 Cl2 Fe N24 O8 -","- C30 H48 Cl4 Fe2 N48 O16 -","2","0.166667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71069","MoKα","","0.038","0.0304","","","0.0764","0.0802","","","","","","1.073","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237131","8.4824","0.0004","14.4398","0.0005","10.7195","0.0005","90","","109.217","0.005","90","","1239.81","0.1","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","bis(ditetrazolylpropanyl) copper(II) perchlorate dihydrate","","- C10 H20 Cl2 Cu N16 O10 -","- C10 H20 Cl2 Cu N16 O10 -","- C20 H40 Cl4 Cu2 N32 O20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0443","0.0395","","","0.106","0.111","","","","","","1.063","","","","has coordinates,has disorder","237434","2020-10-21","18:00:00",""
"7237132","11.671","0.0006","4.7586","0.0002","15.1639","0.0007","90","","105.362","0.005","90","","812.08","0.07","143","2","143","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,3-di(tetrazol-2-yl)propane","1,3-di(tetrazol-2-yl)propane","","- C5 H8 N8 -","- C5 H8 N8 -","- C20 H32 N32 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Lechner, Jasmin T.; Reichherzer, Hannes; Unger, Cornelia C.; Stierstorfer, Jörg","Highly functional energetic complexes: stability tuning through coordination diversity of isomeric propyl-linked ditetrazoles","Journal of Materials Chemistry A","2018","6","15","6565","","10.1039/C8TA01412D","","x-ray","0.71073","MoKα","","0.0382","0.0319","","","0.0767","0.0805","","","","","","1.041","","","","has coordinates","237434","2020-10-21","18:00:00",""
"7237133","11.237","0.002","12.606","0.003","19.298","0.004","90.32","0.03","95.79","0.03","109.07","0.03","2568.3","1.1","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","NDT","","- C58 H50 Cl4 N2 O6 S2 -","- C56 N2 O6 S2 -","- C112 N4 O12 S4 -","2","1","","Cui, Bin-Bin; Yang, Ning; Shi, Congbo; Yang, Shuangshuang; Shao, Jiang-Yang; Han, Ying; Zhang, Liuzhu; Zhang, Qingshan; Zhong, Yu-Wu; Chen, Qi","Naphtho[1,2-b:4,3-b′]dithiophene-based hole transporting materials for high-performance perovskite solar cells: molecular engineering and opto-electronic properties","Journal of Materials Chemistry A","2018","6","21","10057","","10.1039/C8TA02071J","","","0.71073","MoKα","","0.076","0.0656","","","0.1982","0.2237","","","","","","1.153","","","","has coordinates","237437","2020-10-21","18:00:00",""
"7237134","9.5817","0.001","10.2973","0.0011","10.5303","0.0011","90","","97.562","0.003","90","","1029.94","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 N8 O6 -","- C6 H4 N8 O6 -","- C24 H16 N32 O24 -","4","1","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","0.71073","MoKα","","0.0904","0.047","","","0.1007","0.1182","","","","","","1.009","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237135","7.7033","0.0006","19.087","0.0012","13.1208","0.0009","90","","90","","90","","1929.2","0.2","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 N8 O6 -","- C6 N8 O6 -","- C48 N64 O48 -","8","2","","He, Chunlin; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Boosting energetic performance by trimerizing furoxan","Journal of Materials Chemistry A","2018","6","20","9391","","10.1039/C8TA02274G","","","1.54178","CuKα","","0.1619","0.1092","","","0.256","0.3067","","","","","","1.024","","","","has coordinates","237442","2020-10-21","18:00:00",""
"7237136","8.443","0.002","8.443","0.002","33.962","0.007","90","0.03","90","0.03","120","0.03","2096.6","1","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C9 H5.5 N8.5 O8 -","- C9 H5.5 N8.5 O8 -","- C54 H33 N51 O48 -","6","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","1.54184","CuKα","","0.0502","0.0404","","","0.0805","0.0853","","","","","","1.114","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7237137","9.4365","0.001","11.5612","0.0012","12.9442","0.0014","90","","92.305","0.003","90","","1411","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N8 O8 -","- C9 H6 N8 O8 -","- C36 H24 N32 O32 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0789","0.0481","","","0.1149","0.1321","","","","","","1.042","","","","has coordinates,has disorder","237444","2020-10-21","18:00:00",""
"7237138","9.6012","0.0004","11.5875","0.0005","9.794","0.0004","90","","96.837","0.002","90","","1081.87","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N8 O4 -","- C7 H6 N8 O4 -","- C28 H24 N32 O16 -","4","1","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0722","0.0426","","","0.1049","0.1211","","","","","","1.012","","","","has coordinates","237444","2020-10-21","18:00:00",""
"7237139","12.326","0.005","6.678","0.003","12.126","0.005","90","","104.517","0.011","90","","966.3","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 N8 O4 -","- C6 H4 N8 O4 -","- C24 H16 N32 O16 -","4","0.5","","Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds","Journal of Materials Chemistry A","2018","6","18","8382","","10.1039/C8TA02704H","","","0.71073","MoKα","","0.0753","0.0456","","","0.1289","0.1485","","","","","","1.028","","","","has coordinates,has disorder","237444","2020-10-21","18:00:00",""
"7237140","9.7764","0.0005","28.1748","0.0014","7.1892","0.0004","90","","90","","90","","1980.25","0.18","173","2","173","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C28 H40 Cl2 Eu2 N2 O20 -","- C28 H20 Cl2 Eu2 N2 O12 -","- C56 H40 Cl4 Eu4 N4 O24 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","1.54178","CuKα","","0.0671","0.0668","","","0.1818","0.1825","","","","","","0.996","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237141","9.7765","0.0004","28.3415","0.0011","7.1889","0.0003","90","","90","","90","","1991.91","0.14","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C34 H37 Cl2 Eu2 N3 O15 -","- C34 H25 Cl2 Eu2 N3 O12.5 -","- C68 H50 Cl4 Eu4 N6 O25 -","2","0.25","","Gong, Teng; Li, Peng; Sui, Qi; Chen, Jinquan; Xu, Jianhua; Gao, En-Qing","A stable electron-deficient metal‒organic framework for colorimetric and luminescence sensing of phenols and anilines","Journal of Materials Chemistry A","2018","6","19","9236","","10.1039/C8TA02794C","","","0.71073","MoKα","","0.0274","0.0257","","","0.0758","0.077","","","","","","1.086","","","","has coordinates,has disorder","237445","2020-10-21","18:00:00",""
"7237142","28.6596","0.0007","27.8917","0.0008","9.55","0.0003","90","","90","","90","","7633.9","0.4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C54 H42 N15 O5 Zn2 -","- C54 H42 N15 O5 Zn2 -","- C216 H168 N60 O20 Zn8 -","4","0.5","","Fu, Hong-Ru; Yan, Li-Bing; Wu, Nai-Teng; Ma, Lu-Fang; Zang, Shuang-Quan","Dual-emission MOF⊃dye sensor for ratiometric fluorescence recognition of RDX and detection of a broad class of nitro-compounds","Journal of Materials Chemistry A","2018","6","19","9183","","10.1039/C8TA02857E","","","0.71073","MoKα","","0.1015","0.084","","","0.2605","0.2745","","","","","","1.06","","","","has coordinates","237447","2020-10-21","18:00:00",""
"7237143","8.4046","0.0003","10.7488","0.0003","12.1752","0.0004","91.608","0.003","95.6","0.003","90.126","0.003","1094.21","0.06","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Cl2 N2 O5 Ru -","- C22 H24 Cl2 N2 O5 Ru -","- C44 H48 Cl4 N4 O10 Ru2 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","","1.54184","CuKα","","0.0432","0.0418","","","0.1193","0.1211","","","","","","1.022","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237144","8.1896","0.0001","20.1788","0.0002","15.8594","0.0002","90","","90.44","0.001","90","","2620.79","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H56 N8 O25 Rh2 -","- C44 H56 N8 O25 Rh2 -","- C88 H112 N16 O50 Rh4 -","2","1","","Liao, Wei-Ming; Zhang, Jian-Hua; Wang, Zheng; Yin, Shao-Yun; Pan, Mei; Wang, Hai-Ping; Su, Cheng-Yong","Post-synthetic exchange (PSE) of UiO-67 frameworks with Ru/Rh half-sandwich units for visible-light-driven H2 evolution and CO2 reduction","Journal of Materials Chemistry A","2018","6","24","11337","","10.1039/C8TA02962H","","x-ray","1.54184","CuKα","","0.0315","0.0308","","","0.0762","0.077","","","","","","1.034","","","","has coordinates","237448","2020-10-21","18:00:00",""
"7237145","5.5646","0.0006","6.9441","0.0008","18.902","0.002","90","","98.039","0.012","90","","723.22","0.14","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 S2 -","- C16 H12 F2 O2 S2 -","- C32 H24 F4 O4 S4 -","2","0.5","","Li, Shuixing; Zhan, Lingling; Zhao, Wenchao; Zhang, Shuhua; Ali, Basharat; Fu, Zhisheng; Lau, Tsz-Ki; Lu, Xinhui; Shi, Minmin; Li, Chang-Zhi; Hou, Jianhui; Chen, Hongzheng","Revealing the effects of molecular packing on the performances of polymer solar cells based on A‒D‒C‒D‒A type non-fullerene acceptors","Journal of Materials Chemistry A","2018","6","25","12132","","10.1039/C8TA03753A","","","0.71073","MoKα","","0.0605","0.0449","","","0.104","0.1151","","","","","","1.059","","","","has coordinates","237450","2020-10-21","18:00:00",""
"7237146","16.9343","0.0014","12.3926","0.001","11.305","0.0009","90","","120.836","0.002","90","","2037.1","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8 H22 B12 Cu I12 N6 -","- C8 H22 B12 Cu I12 N6 -","- C16 H44 B24 Cu2 I24 N12 -","2","0.25","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0172","0.016","","","0.0341","0.0345","","","","","","1.191","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237147","10.9499","0.0004","12.057","0.0005","12.3471","0.0004","61.337","0.001","69.03","0.001","81.237","0.001","1335.24","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","- C30 H44 B12 Fe2 I12 N2 -","1","0.5","","Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids","Journal of Materials Chemistry A","2018","6","41","19989","","10.1039/C8TA03780A","","","0.71073","MoKα","","0.0232","0.0214","","","0.0499","0.0509","","","","","","1.074","","","","has coordinates","237451","2020-10-21","18:00:00",""
"7237148","15.306","0.002","15.306","0.002","28.885","0.006","90","","90","","120","","5860.4","1.6","293","2","293","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C84 H66 In3 N O25 -","- C84 H54 In3 O16 -","- C168 H108 In6 O32 -","2","0.0833333","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0987","0.0953","","","0.2334","0.235","","","","","","1.15","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237149","33.816","0.004","33.816","0.004","33.816","0.004","90","","90","","90","","38669","8","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C217 H237 Eu6 N19 O53 -","- C3.05455 H0.872727 Eu0.109091 O0.690909 -","- C672 H192 Eu24 O152 -","220","1.14583","","Liu, Xinyao; Liu, Bing; Li, Guanghua; Liu, Yunling","Two anthracene-based metal‒organic frameworks for highly effective photodegradation and luminescent detection in water","Journal of Materials Chemistry A","2018","6","35","17177","","10.1039/C8TA03807D","","","0.71073","MoKα","","0.0591","0.0541","","","0.1576","0.1623","","","","","","1.096","","","","has coordinates","237452","2020-10-21","18:00:00",""
"7237150","24.153","0.002","13.12","0.001","8.6","0.001","90","","92.537","0.001","90","","2722.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly{[(mu-azopyridine)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C10 H14 Cu N2 O6 -","- C10 H10 Cu N2 O4 -","- C80 H80 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0484","0.0369","","","0.0861","0.0906","","","","","","1.035","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237151","27.253","0.001","13.608","0.001","9.146","0.002","90","","92.81","0.03","90","","3387.8","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2,2'-dimethylglutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C13 H19 Cu N2 O6 -","- C13 H15 Cu N2 O4 -","- C104 H120 Cu8 N16 O32 -","8","1","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0714","0.0457","","","0.1023","0.1097","","","","","","1.025","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237152","27.019","0.009","13.506","0.005","8.921","0.005","90","","94.792","0.006","90","","3244","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene)-kN,N')bis(mu4-2-methylglutarato-kO:kO':kO'':kO''')dicopper(II)] pentahydrate}","","- C24 H36 Cu2 N4 O13 -","- C24 H32 Cu2 N4 O13 -","- C96 H128 Cu8 N16 O52 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0675","0.0517","","","0.144","0.1568","","","","","","1.08","","","","has coordinates,has disorder","237454","2020-10-21","18:00:00",""
"7237153","26.9173","0.0001","12.987","0.001","8.574","0.001","90","","104.82","0.01","90","","2897.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","poly-{[(mu-2,5-bis(4-pyridyl)-1,3,4-oxadiazole)-kN,N')bis(mu4-glutarato-kO:kO':kO'':kO''')dicopper(II)] tetrahydrate}","","- C22 H28 Cu2 N4 O13 -","- C22 H20 Cu2 N4 O9 -","- C88 H80 Cu8 N16 O36 -","4","0.5","","Cepeda, Javier; Pérez-Mendoza, Manuel; Calahorro, Antonio J.; Casati, Nicola; Seco, José Manuel; Aragones-Anglada, Marta; Moghadam, Peyman Z.; Fairen-Jimenez, David; Rodríguez-Diéguez, Antonio","Modulation of pore shape and adsorption selectivity by ligand functionalization in a series of “rob”-like flexible metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","36","17409","","10.1039/C8TA04316G","","","0.71073","MoKα","","0.0741","0.0445","","","0.0905","0.0969","","","","","","1.089","","","","has coordinates","237454","2020-10-21","18:00:00",""
"7237154","26.0992","0.0004","26.0992","0.0004","9.2584","0.0002","90","","90","","120","","5461.61","0.17","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C48 H36 Cu4 N12 O12 -","- C48 H36 Cu4 N12 O12 -","- C144 H108 Cu12 N36 O36 -","3","1","","Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang","An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture","Journal of Materials Chemistry A","2018","6","40","19681","","10.1039/C8TA04498H","","","1.54178","CuKα","","0.0594","0.0402","","","0.0802","0.0862","","","","","","0.834","","","","has coordinates","237456","2020-10-21","18:00:00",""
"7237155","9.7746","0.0009","10.4557","0.001","19.049","0.0017","90","","91.034","0.002","90","","1946.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0484","0.0369","","","0.0891","0.097","","","","","","1.047","","","","has coordinates","237458","2020-10-21","18:00:00",""
"7237156","9.9011","0.0013","10.5386","0.0013","19.291","0.002","90","","91.071","0.003","90","","2012.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 N14 O20 -","- C8 N14 O20 -","- C32 N56 O80 -","4","1","","Dalinger, Igor L.; Suponitsky, Kyrill Yu.; Shkineva, Tatyana K.; Lempert, David B.; Sheremetev, Aleksei B.","Bipyrazole bearing ten nitro groups ‒ a novel highly dense oxidizer for forward-looking rocket propulsions","Journal of Materials Chemistry A","2018","6","30","14780","","10.1039/C8TA05179H","","","0.71073","MoKα","","0.0781","0.0462","","","0.1105","0.1302","","","","","","1.033","","","","has coordinates","237458","2020-10-21","18:00:00",""
"7237157","11.6936","0.0009","11.6936","0.0009","8.833","0.0008","90","","90","","90","","1207.83","0.17","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C2 H12 Ag2 N8 O8 -","- C2 H12 Ag2 N8 O8 -","- C8 H48 Ag8 N32 O32 -","4","0.25","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0663","0.0663","","","0.2378","0.2378","","","","","","1.196","","","","has coordinates,has disorder","237460","2020-10-21","18:00:00",""
"7237158","3.7131","0.0015","9.097","0.004","12.626","0.005","108.745","0.007","96.5","0.005","98.409","0.005","393.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H9 N5 O7 -","- C2 H9 N5 O7 -","- C4 H18 N10 O14 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0477","0.0383","","","0.1024","0.1123","","","","","","1.118","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237159","8.1131","0.001","8.6292","0.001","11.1334","0.0013","106.97","0.001","93.53","0.001","105.554","0.001","709.89","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H15 N9 O12 -","- C4 H15 N9 O12 -","- C8 H30 N18 O24 -","2","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","","0.71073","MoKα","","0.0532","0.0453","","","0.1253","0.1369","","","","","","1.078","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237160","9.2546","0.0011","7.8","0.0009","13.1353","0.0014","90","","107.923","0.003","90","","902.17","0.18","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 N6 O8 -","- C2 H8 N6 O8 -","- C8 H32 N24 O32 -","4","1","","Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M.","Taming of tetranitroethane: a promising precursor for high performance energetic ingredients","Journal of Materials Chemistry A","2018","6","32","15815","","10.1039/C8TA05394D","","x-ray","0.71073","MoKα","","0.0589","0.0392","","","0.0826","0.0897","","","","","","1.067","","","","has coordinates","237460","2020-10-21","18:00:00",""
"7237161","23.1218","0.0019","10.7247","0.0009","24.0502","0.0017","90","","90","","90","","5963.8","0.8","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C36 H76 Cl4 Co6 N18 P6 S8 -","- C144 H304 Cl16 Co24 N72 P24 S32 -","4","0.25","","Freeman, Matthew B.; Wang, Le; Jones, Daniel S.; Bejger, Christopher M.","A cobalt sulfide cluster-based catholyte for aqueous flow battery applications","Journal of Materials Chemistry A","2018","6","44","21927","","10.1039/C8TA05788E","","","0.71073","MoKα","","0.0753","0.0492","","","0.1025","0.1136","","","","","","1.0052","","","","has coordinates","237462","2020-10-21","18:00:00",""
"7237162","18.9552","0.0014","11.1084","0.0008","14.2841","0.0018","90","","126.184","0.001","90","","2427.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 N10 O8 -","- C5 H8 N10 O8 -","- C40 H64 N80 O64 -","8","1","","He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Energetic salts of 4-nitramino-3-(5-dinitromethyl-1,2,4-oxadiazolyl)-furazan: powerful alliance towards good thermal stability and high performance","Journal of Materials Chemistry A","2018","6","35","16833","","10.1039/C8TA06199H","","","0.71073","MoKα","","0.0421","0.0331","","","0.0857","0.0911","","","","","","1.028","","","","has coordinates","237464","2020-10-21","18:00:00",""
"7237163","16.9552","0.001","19.4089","0.001","18.5986","0.0009","90","","99.771","0.004","90","","6031.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/m 1","-P 2y","10","","","","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C96 H48 Cl2 Cu4.5 N40 O0.5 -","- C192 H96 Cl4 Cu9 N80 O -","2","0.5","","Wang, Zheng; Zhang, Jian-Hua; Jiang, Ji-Jun; Wang, Hai-Ping; Wei, Zhang-Wen; Zhu, Xunjin; Pan, Mei; Su, Cheng-Yong","A stable metal cluster-metalloporphyrin MOF with high capacity for cationic dye removal","Journal of Materials Chemistry A","2018","6","36","17698","","10.1039/C8TA06249H","","","1.54178","CuKα","","0.1904","0.136","","","0.2756","0.2927","","","","","","1.051","","","","has coordinates","237466","2020-10-21","18:00:00",""
"7237164","9.4718","0.0005","9.4932","0.0003","13.4657","0.0003","91.53","0.002","91.845","0.003","108.004","0.004","1150.06","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B F5 N2 O4 -","- C28 H18 B F5 N2 O4 -","- C56 H36 B2 F10 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0688","0.0675","","","0.201","0.2043","","","","","","1.188","","","","has coordinates,has disorder","237467","2020-10-21","18:00:00",""
"7237165","7.6728","0.0003","12.677","0.0006","13.41465","0.00019","102.618","0.003","90.338","0.002","100.899","0.004","1248.82","0.08","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H18 B F7 N2 O4 -","- C29 H18 B F7 N2 O4 -","- C58 H36 B2 F14 N4 O8 -","2","1","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0488","0.0463","","","0.1296","0.133","","","","","","1.059","","","","has coordinates","237467","2020-10-21","18:00:00",""
"7237166","11.7774","0.0004","15.2002","0.0004","17.0421","0.0004","93.918","0.002","105.682","0.003","97.023","0.003","2898.8","0.15","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 B F9 N2 O4 -","- C30 H18 B F9 N2 O4 -","- C120 H72 B4 F36 N8 O16 -","4","2","","Li, Tian-yi; Benduhn, Johannes; Li, Yue; Jaiser, Frank; Spoltore, Donato; Zeika, Olaf; Ma, Zaifei; Neher, Dieter; Vandewal, Koen; Leo, Karl","Boron dipyrromethene (BODIPY) with meso-perfluorinated alkyl substituents as near infrared donors in organic solar cells","Journal of Materials Chemistry A","2018","6","38","18583","","10.1039/C8TA06261G","","x-ray","1.54184","CuKα","","0.0472","0.0392","","","0.1173","0.1234","","","","","","1.071","","","","has coordinates","237467","2020-10-21","18:00:00",""
"7237167","10.3883","0.0003","10.3883","0.0003","10.0967","0.0008","90","","90","","90","","1089.6","0.1","173","2","173","2","","","","","","","","6","P 42/n :2","-P 4bc","86","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","diaqua tetrakis(2-aminotetrazolyl) copper(II) diperchlorate","","- C4 H16 Cl2 Cu N20 O10 -","- C4 H16 Cl2 Cu N20 O10 -","- C8 H32 Cl4 Cu2 N40 O20 -","2","0.25","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0494","0.0389","","","0.0991","0.1049","","","","","","1.058","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237168","21.8207","0.0004","21.8207","0.0004","6.9043","0.0003","90","","90","","120","","2847","0.14","173","","173","","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)copper(II) perchlorate","hexakis(1-aminotetrazolyl)copper(II) perchlorate","","- C6 H18 Cl2 Cu N30 O8 -","- C6 H18 Cl2 Cu N30 O8 -","- C24 H72 Cl8 Cu4 N120 O32 -","4","0.666667","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0931","0.0628","","","0.1674","0.1925","","","","","","1.042","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237169","7.898","0.0005","9.618","0.0006","15.771","0.0007","78.554","0.004","76.267","0.004","73.23","0.005","1103.34","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","diaqua tetra(2-aminotetrazolyl) manganese(II) diperchlorate","","- C4 H16 Cl2 Mn N20 O10 -","- C4 H16 Cl2 Mn N20 O10 -","- C8 H32 Cl4 Mn2 N40 O20 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0436","0.0378","","","0.0928","0.0974","","","","","","1.038","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237170","5.0889","0.0003","6.5662","0.0005","11.1652","0.0008","90","","90","","90","","373.08","0.04","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5H-tetrazole","1-amino-5H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0226","0.0208","","","0.0494","0.0504","","","","","","1.133","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237171","9.477","0.0006","9.9109","0.0006","15.4054","0.0008","75.695","0.005","89.058","0.005","63.694","0.006","1249.66","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","aqua pentakis(2-aminotetrazole) iron(II) diperchlorate","","- C5 H17 Cl2 Fe N25 O9 -","- C5 H17 Cl2 Fe N25 O9 -","- C10 H34 Cl4 Fe2 N50 O18 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0564","0.0473","","","0.1276","0.1369","","","","","","1.04","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237172","6.8468","0.0005","3.6679","0.0002","18.5122","0.0012","90","","91.579","0.006","90","","464.73","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dichlorido bis(2-aminotetrazolyl) copper(II)","dichlorido bis(2-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C4 H12 Cl4 Cu2 N20 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0285","0.0246","","","0.0572","0.0596","","","","","","1.067","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237173","8.5016","0.0002","10.8035","0.0003","19.2662","0.0006","79.175","0.003","86.1","0.002","86.315","0.002","1731.63","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl) zinc(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 N40 O8 Zn -","- C8 H24 Cl2 N40 O8 Zn -","- C16 H48 Cl4 N80 O16 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.055","0.0369","","","0.0789","0.0874","","","","","","1.028","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237174","18.8934","0.0004","18.8934","0.0004","6.983","0.0002","90","","90","","120","","2158.7","0.09","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)iron(II) perchlorate","hexakis(1-aminotetrazolyl)iron(II) perchlorate","","- C6 H18 Cl2 Fe N30 O8 -","- C6 H18 Cl2 Fe N30 O8 -","- C18 H54 Cl6 Fe3 N90 O24 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1923","","","","","","1.059","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237175","8.515","0.0003","10.83","0.0005","19.305","0.0008","79.072","0.004","86.098","0.003","86.476","0.003","1741.78","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","hexakis(2-aminotetrazolyl)iron(II) diperchlorate *2 2-aminotetrazole","","- C8 H24 Cl2 Fe N40 O8 -","- C8 H24 Cl2 Fe N40 O8 -","- C16 H48 Cl4 Fe2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0412","0.0317","","","0.0765","0.0821","","","","","","1.032","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237176","9.4477","0.001","7.9116","0.0009","17.279","0.002","90","","90.61","0.011","90","","1291.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","hexakis(1-methyltetrazolyl) zinc(II9 dinitrate","","- C6 H18 N32 O6 Zn -","- C6 H18 N32 O6 Zn -","- C12 H36 N64 O12 Zn2 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0925","0.0667","","","0.1533","0.1725","","","","","","1.09","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237177","5.5236","0.0004","8.3025","0.0007","13.6929","0.0011","90","","90.247","0.005","90","","627.95","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-aminotetrazolium perchlorate","2-aminotetrazolium perchlorate","","- C H4 Cl N5 O4 -","- C H4 Cl N5 O4 -","- C4 H16 Cl4 N20 O16 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0317","0.0272","","","0.0698","0.0732","","","","","","1.068","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237178","18.908","0.005","18.908","0.005","6.992","0.005","90","","90","","120","","2164.8","1.7","173","2","173","2","","","","","","","","6","P -3","-P 3","147","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","hexakis(1-aminotetrazolyl)zinc(II) perchlorate","","- C6 H18 Cl2 N30 O8 Zn -","- C6 H18 Cl2 N30 O8 Zn -","- C18 H54 Cl6 N90 O24 Zn3 -","3","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.075","0.0661","","","0.1925","0.2024","","","","","","1.039","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237179","9.6517","0.0003","7.888","0.0003","17.1904","0.0005","90","","93.923","0.002","90","","1305.68","0.07","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","hexakis(1-amino-5H-tetrazolyl)copper(II) chlorate","","- C6 H18 Cl2 Cu N30 O6 -","- C6 H18 Cl2 Cu N30 O6 -","- C12 H36 Cl4 Cu2 N60 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0685","0.0647","","","0.1411","0.1425","","","","","","1.353","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237180","10.3015","0.0007","10.866","0.0007","16.4236","0.0011","80.433","0.006","73.574","0.006","80.646","0.005","1725.8","0.2","143","2","143","2","","","","","","","","6","P -1","-P 1","2","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","hexakis(2-aminotetrazolyl)copper(II) perchlorate * 2 2-aminotetrazole","","- C8 H24 Cl2 Cu N40 O8 -","- C8 H24 Cl2 Cu N40 O8 -","- C16 H48 Cl4 Cu2 N80 O16 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0626","0.0403","","","0.0821","0.0951","","","","","","1.03","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237181","7.9953","0.0008","8.9746","0.0008","8.0033","0.0009","90","","107.469","0.012","90","","547.79","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(2-aminotetrazolyl) dinitrato copper(II)","bis(2-aminotetrazolyl) dinitrato copper(II)","","- C2 H6 Cu N12 O6 -","- C2 H6 Cu N12 O6 -","- C4 H12 Cu2 N24 O12 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.026","0.0229","","","0.0609","0.0635","","","","","","1.049","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237182","15.301","0.005","6.684","0.005","15.203","0.005","90","","106.027","0.005","90","","1494.4","1.3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","tris(1-aminotetrazolyl) dinitrato copper(II)","tris(1-aminotetrazolyl) dinitrato copper(II)","","- C3 H9 Cu N17 O6 -","- C3 H9 Cu N17 O6 -","- C12 H36 Cu4 N68 O24 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0392","0.0328","","","0.0545","0.0575","","","","","","1.033","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237183","7.4976","0.0002","12.2023","0.0005","10.3115","0.0004","90","","91.719","0.004","90","","942.95","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bischlorido bis(1-aminotetrazolyl) copper(II)","bis-chlorido bis(1-aminotetrazolyl) copper(II)","","- C2 H6 Cl2 Cu N10 -","- C2 H6 Cl2 Cu N10 -","- C8 H24 Cl8 Cu4 N40 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0277","0.0224","","","0.0539","0.0564","","","","","","1.086","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237184","9.4977","0.0006","9.9017","0.0005","15.3665","0.0008","75.918","0.005","89.336","0.005","63.584","0.006","1247.54","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","aqua penta(2-aminotetrazolyl)zinc(II) perchlorate","","- C5 H17 Cl2 N25 O9 Zn -","- C5 H17 Cl2 N25 O9 Zn -","- C10 H34 Cl4 N50 O18 Zn2 -","2","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.054","0.0474","","","0.1282","0.1348","","","","","","1.05","","","","has coordinates,has disorder","237469","2020-10-21","18:00:00",""
"7237185","14.8973","0.0009","5.0185","0.0002","20.4159","0.001","90","","103.628","0.005","90","","1483.36","0.13","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","hexaaqua manganese(II) di-1-aminotetrazolyl phloroglucinolate","","- C14 H22 Mn N16 O24 -","- C14 H22 Mn N16 O24 -","- C28 H44 Mn2 N32 O48 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0583","0.0377","","","0.0729","0.0794","","","","","","1.049","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237186","14.704","0.0006","5.049","0.0002","20.468","0.0009","90","","103.858","0.004","90","","1475.32","0.11","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","hexaaquamanganese(II) distyphnate bis(1-aminotetrazole)","","- C14 H22 Mn N16 O22 -","- C14 H22 Mn N16 O22 -","- C28 H44 Mn2 N32 O44 -","2","0.5","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71069","MoKα","","0.0338","0.0278","","","0.0682","0.0722","","","","","","1.048","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237187","12.608","0.003","5.6499","0.0011","12.102","0.002","90","","110.626","0.004","90","","806.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0711","0.0418","","","0.0921","0.1062","","","","","","1.015","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237188","5.3726","0.0012","17.51","0.004","8.6127","0.0019","90","","93.895","0.005","90","","808.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N4 O4 -","- C7 H4 N4 O4 -","- C28 H16 N16 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0482","0.035","","","0.0842","0.0933","","","","","","1.048","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237189","3.704","0.0002","10.7498","0.0005","17.5309","0.0009","98.171","0.001","94.55","0.001","92.658","0.001","687.59","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0469","0.0377","","","0.1003","0.108","","","","","","1.03","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237190","3.6798","0.0004","10.3754","0.001","18.1767","0.0018","90","","90","","90","","693.98","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0395","0.0333","","","0.0833","0.0875","","","","","","1.052","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237191","9.893","0.003","18.586","0.006","9.943","0.003","90","","90","","90","","1828.2","1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H3 N5 O6 -","- C7 H3 N5 O6 -","- C56 H24 N40 O48 -","8","2","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.1138","0.0566","","","0.1061","0.1275","","","","","","1.04","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237192","11.1512","0.0005","17.278","0.0007","12.9735","0.0005","90","","106.259","0.001","90","","2399.64","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C84 H60 N60 O24 -","12","3","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0716","0.0528","","","0.1108","0.1187","","","","","","1.158","","","","has coordinates,has disorder","237472","2020-10-21","18:00:00",""
"7237193","7.2094","0.0008","7.7337","0.0009","14.2011","0.0016","90","","93.215","0.002","90","","790.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 N5 O2 -","- C7 H5 N5 O2 -","- C28 H20 N20 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0455","0.0382","","","0.1046","0.1132","","","","","","1.049","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237194","9.7268","0.0006","8.3199","0.0005","9.821","0.0006","90","","90","","90","","794.77","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H3 N5 O4 -","- C6 H3 N5 O4 -","- C24 H12 N20 O16 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0317","0.028","","","0.0648","0.0668","","","","","","1.043","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237195","18.2466","0.0003","18.2466","0.0003","16.911","0.0004","90","","90","","90","","5630.32","0.19","150","","150","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C15 H7 Cu N O7 -","- C15 H7 Cu N O7 -","- C120 H56 Cu8 N8 O56 -","8","1","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","x-ray","1.54178","CuKα","","0.0754","0.0513","","","0.1228","0.1333","","","","","","0.941","","","","has coordinates,has disorder","237474","2020-10-21","18:00:00",""
"7237196","15.2262","0.0005","36.4417","0.0013","10.3313","0.0005","90","","90","","90","","5732.5","0.4","150","","150","","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C19 H14 Cu N2 O7 -","- C19 H14 Cu N2 O7 -","- C152 H112 Cu8 N16 O56 -","8","0.5","","Ye, Yingxiang; Ma, Zhenlin; Chen, Liangji; Lin, Haizhen; Lin, Quanjie; Liu, Lizhen; Li, Ziyin; Chen, Shimin; Zhang, Zhangjing; Xiang, Shengchang","Microporous metal‒organic frameworks with open metal sites and π-Lewis acidic pore surfaces for recovering ethylene from polyethylene off-gas","Journal of Materials Chemistry A","2018","6","42","20822","","10.1039/C8TA06923A","","","1.54178","CuKα","","0.0479","0.0412","","","0.1189","0.1241","","","","","","1.079","","","","has coordinates","237474","2020-10-21","18:00:00",""
"7237197","8.7287","0.0017","22.221","0.004","15.08","0.003","90","","91.16","0.03","90","","2924.3","1","113","2","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H60 I14 N6 Pb4 -","- C18 H60 I14 N6 Pb4 -","- C36 H120 I28 N12 Pb8 -","2","1","","Zhang, Yu; Li, Fengzhu; Jiang, Ke-Jian; Huang, Jin-Hua; Wang, Huijia; Fan, Haochen; Wang, Pengcheng; Liu, Cai-Ming; Zhang, Li-Peng; Song, YanLin","From 2D to 3D: a facile and effective procedure for fabrication of planar CH3NH3PbI3perovskite solar cells","Journal of Materials Chemistry A","2018","6","37","17867","","10.1039/C8TA07048B","","","0.71073","MoKα","","0.0826","0.08","","","0.2118","0.214","","","","","","1.093","","","","has coordinates","237476","2020-10-21","18:00:00",""
"7237198","30.9254","0.0009","30.9254","0.0009","19.313","0.0014","90","","90","","120","","15996","1.3","296","2","296","2","","","","","","","syntetic","7","R 3 c :H","R 3 -2""c","161","Pyrazoline Co(II) complex","bis(thiocabamoylpirazoline)Co(II) Chloride","","- C34 H34 Cl2 Co N6 O2 S2 -","- C34 H34 Cl2 Co N6 O2 S2 -","- C612 H612 Cl36 Co18 N108 O36 S36 -","18","1","","Bezerra, Leticia S.; Rosa, Persiely P.; Fortunato, Guilherme V.; Pizzuti, Lucas; Casagrande, Gleison A.; Maia, Gilberto","Electroreduction of a CoIIcoordination complex producing a metal‒organic film with high performance toward electrocatalytic hydrogen evolution","Journal of Materials Chemistry A","2018","6","40","19590","","10.1039/C8TA07340F","","x-ray","0.71073","MoKα","","0.1178","0.0457","","","0.0845","0.1061","","","","","","1.01","","","","has coordinates","237478","2020-10-21","18:00:00",""
"7237199","12.7988","0.0018","30.8674","0.001","15.6757","0.0009","90","","112.407","0.011","90","","5725.4","1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 In N2 O8 -","- C40 H26 In N2 O8 -","- C160 H104 In4 N8 O32 -","4","0.5","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","x-ray","1.54184","CuKα","","0.1572","0.131","","","0.3566","0.3822","","","","","","1.341","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237200","6.5926","0.0003","29.493","0.002","15.9919","0.0009","90","","90","","90","","3109.4","0.3","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H26 Al2 N2 O10 -","- C40 H26 Al2 N2 O10 -","- C80 H52 Al4 N4 O20 -","2","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1841","0.1431","","","0.3756","0.419","","","","","","1.402","","","","has coordinates,has disorder","237481","2020-10-21","18:00:00",""
"7237201","40.9189","0.0008","40.9189","0.0008","15.1257","0.0005","90","","90","","120","","21932.8","0.9","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C80 H64 N4 O32 Zr6 -","- C80 H64 N4 O32 Zr6 -","- C240 H192 N12 O96 Zr18 -","3","0.125","","Fan, Weidong; Wang, Xia; Xu, Ben; Wang, Yutong; Liu, Dandan; Zhang, Ming; Shang, Yizhu; Dai, Fangna; Zhang, Liangliang; Sun, Daofeng","Amino-functionalized MOFs with high physicochemical stability for efficient gas storage/separation, dye adsorption and catalytic performance","Journal of Materials Chemistry A","2018","6","47","24486","","10.1039/C8TA07839D","","","1.54178","CuKα","","0.1187","0.0726","","","0.1358","0.1446","","","","","","1.06","","","","has coordinates","237481","2020-10-21","18:00:00",""
"7237206","9.562","0.002","11.187","0.002","12.146","0.003","84.862","0.004","70.861","0.004","68.636","0.004","1142.4","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H11 Cu I2 N2 -","- C6 H11 Cu I2 N2 -","- C24 H44 Cu4 I8 N8 -","4","2","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0366","0.0303","","","0.0861","0.0903","","","","","","1.019","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237207","6.7005","0.0013","13.303","0.003","11.176","0.003","90","","105.771","0.004","90","","958.7","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 Cu I2 N4 -","- C3 H7 Cu I2 N4 -","- C12 H28 Cu4 I8 N16 -","4","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0481","0.0414","","","0.0944","0.0984","","","","","","1.053","","","","has coordinates,has disorder","237485","2020-10-21","18:00:00",""
"7237208","13.2656","0.0015","21.421","0.003","10.3192","0.0012","90","","90","","90","","2932.3","0.6","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H22 Cu5 I7 N4 -","- C12 H22 Cu5 I7 N4 -","- C48 H88 Cu20 I28 N16 -","4","0.5","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0429","0.0347","","","0.0868","0.1016","","","","","","1.096","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237209","9.733","0.001","11.3531","0.0013","17.4044","0.0019","79.24","0.002","76.117","0.002","86.646","0.002","1834","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H33 Cu4 I7 N6 -","- C18 H33 Cu4 I7 N6 -","- C36 H66 Cu8 I14 N12 -","2","1","","Wang, Kangcai; Chinnam, Ajay Kumar; Petrutik, Natan; Komarala, Eswaravara Prasadarao; Zhang, Qinghua; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael","Iodocuprate-containing ionic liquids as promoters for green propulsion","Journal of Materials Chemistry A","2018","6","45","22819","","10.1039/C8TA08042A","","","0.71073","MoKα","","0.0604","0.0428","","","0.1126","0.1389","","","","","","1.024","","","","has coordinates","237485","2020-10-21","18:00:00",""
"7237210","15.1119","0.0002","15.1119","0.0002","15.1119","0.0002","90","","90","","90","","3451.1","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.34 H16.02 Al3.95 N1.34 O16.94 P2.56 Si1.49 -","- C5.3408 H16.0224 Al3.9512 N1.3352 O16.944 P2.56 Si1.4888 -","- C32.0448 H96.1344 Al23.7072 N8.0112 O101.664 P15.36 Si8.9328 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0271","3.501","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237211","15.1697","0.0001","15.1697","0.0001","15.1697","0.0001","90","","90","","90","","3490.85","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DEA","","","- C5.33 H15.92 Al3.95 N1.33 O18.08 P2.7 Si1.35 -","- C5.3344 H15.9192 Al3.95 N1.3336 O18.08 P2.7 Si1.35 -","- C32.0064 H95.5152 Al23.7 N8.0016 O108.48 P16.2 Si8.1 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.011","1.489","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237212","15.163","0.0001","15.163","0.0001","15.163","0.0001","90","","90","","90","","3486.22","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C13.16 H37.26 Al7.43 N2.47 O32.98 P5.33 Si3.23 -","- C14.8032 H39.1072 Al7.4336 N2.4672 O32.9813 P5.3336 Si3.2328 -","- C44.4096 H117.322 Al22.3008 N7.4016 O98.944 P16.0008 Si9.6984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0166","2.078","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237213","15.1588","0.0001","15.1588","0.0001","15.1588","0.0001","90","","90","","90","","3483.33","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.17 H17.22 Al3.73 N1.23 O16 P2.45 Si1.82 -","- C6.168 H17.2224 Al3.7332 N1.2336 O16 P2.45 Si1.8168 -","- C37.008 H103.334 Al22.3992 N7.4016 O96 P14.7 Si10.9008 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0506","4.119","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237214","15.1545","0.0001","15.1545","0.0001","15.1545","0.0001","90","","90","","90","","3480.37","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.58 H15.42 Al3.85 N1.12 O18.74 P2.95 Si1.2 -","- C5.584 H15.4184 Al3.85 N1.1168 O18.736 P2.95 Si1.2 -","- C33.504 H92.5104 Al23.1 N6.7008 O112.416 P17.7 Si7.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0206","2.468","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237215","15.1671","0.0001","15.1671","0.0001","15.1671","0.0001","90","","90","","90","","3489.05","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.33 H15.24 Al3.77 N1.33 O18.26 P2.53 Si1.7 -","- C5.3344 H15.9032 Al3.7668 N1.3336 O18.256 P2.5332 Si1.7 -","- C32.0064 H95.4192 Al22.6008 N8.0016 O109.536 P15.1992 Si10.2 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0208","1.686","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237216","15.1935","0.0002","15.1935","0.0002","15.1935","0.0002","90","","90","","90","","3507.3","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-DMEDA","","","- C5.07 H21.64 Al3.32 N2.9 O20.81 P1.77 Si2.92 -","- C5.7984 H21.6352 Al3.3168 N2.8992 O20.8107 P1.7668 Si2.9164 -","- C34.7904 H129.811 Al19.9008 N17.3952 O124.864 P10.6008 Si17.4984 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0227","2.667","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237217","15.1454","0.0001","15.1454","0.0001","15.1454","0.0001","90","","90","","90","","3474.1","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C5.92 H16.2 Al3.82 N1.18 O17.02 P3 Si1.18 -","- C5.916 H16.1984 Al3.8168 N1.1832 O17.0168 P3 Si1.1832 -","- C35.496 H97.1904 Al22.9008 N7.0992 O102.101 P18 Si7.0992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0174","1.46","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237218","15.1568","0.0001","15.1568","0.0001","15.1568","0.0001","90","","90","","90","","3481.95","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C6.08 H17.04 Al3.57 N1.22 O17.31 P2.38 Si2.05 -","- C6.084 H17.0352 Al3.5668 N1.2168 O17.3107 P2.3832 Si2.05 -","- C36.504 H102.211 Al21.4008 N7.3008 O103.864 P14.2992 Si12.3 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0211","1.347","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237219","24.1479","0.0002","24.1479","0.0002","24.1479","0.0002","90","","90","","90","","14081.1","0.2","25","","25","","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C192.61 H472.59 Al70.9 N32.1 O405.79 P88.8 Si32.3 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","- C192.614 H495.744 Al70.896 N32.1024 O405.792 P88.8 Si32.304 -","1","0.00520833","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0444","2.6863","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237220","15.1543","0.0001","15.1543","0.0001","15.1543","0.0001","90","","90","","90","","3480.23","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-EBA","","","- C6.2 H16.4 Al3.7 N1.03 O18.2 P2.77 Si1.53 -","- C6.2016 H16.404 Al3.7 N1.0336 O18.196 P2.7668 Si1.5332 -","- C37.2096 H98.424 Al22.2 N6.2016 O109.176 P16.6008 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0348","3.0377","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237221","15.1503","0.0001","15.1503","0.0001","15.1503","0.0001","90","","90","","90","","3477.47","0.04","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","DNL-6-ECyA","","","- C14.4 H32.3 Al7.03 N1.8 O32 P5.33 Si3.63 -","- C14.4 H32.2992 Al7.0336 N1.8 O32 P5.3336 Si3.6328 -","- C43.2 H96.8976 Al21.1008 N5.4 O96 P16.0008 Si10.8984 -","3","0.0625","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0321","2.005","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237222","15.17","0.0002","15.17","0.0002","15.17","0.0002","90","","90","","90","","3491.06","0.08","25","","25","","","","","","","","","7","I 4 3 2","I 4 2 3","211","","","","- C4.6 H14.87 Al3.77 N1.53 O18.84 P2.7 Si1.53 -","- C4.6008 H14.8688 Al3.7668 N1.5336 O18.84 P2.7 Si1.5332 -","- C27.6048 H89.2128 Al22.6008 N9.2016 O113.04 P16.2 Si9.1992 -","6","0.125","","Yan, Nana; Wang, Lei; Liu, Xiaona; Wu, Pengfei; Sun, Tantan; Xu, Shutao; Han, Jingfeng; Guo, Peng; Tian, Peng; Liu, Zhongmin","A novel approach for facilitating the targeted synthesis of silicoaluminophosphates","Journal of Materials Chemistry A","2018","6","47","24186","","10.1039/C8TA08134D","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.0445","4.172","","","","","","","has coordinates","237491","2020-10-21","18:00:00",""
"7237223","13.097","0.003","13.097","0.003","8.628","0.002","90","","90","","90","","1480","0.6","153","2","153","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C20 H16 Cu F6 N8 Ti -","- C20 H16 Cu F6 N8 Ti -","- C40 H32 Cu2 F12 N16 Ti2 -","2","0.0625","","Yang, Lifeng; Cui, Xili; Zhang, Yuanbin; Yang, Qiwei; Xing, Huabin","A highly sensitive flexible metal‒organic framework sets a new benchmark for separating propyne from propylene","Journal of Materials Chemistry A","2018","6","47","24452","","10.1039/C8TA08198K","","","0.71073","MoKα","","0.0737","0.0704","","","0.1419","0.1437","","","","","","1.177","","","","has coordinates,has disorder","237497","2020-10-21","18:00:00",""
"7237224","8.5699","0.0008","8.5699","0.0008","21.552","0.002","90","","90","","120","","1370.8","0.2","296","2","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- I9 N Sb2 -","- I9 N Sb2 -","- I18 N2 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0598","0.0564","","","0.1771","0.1803","","","","","","1.204","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237225","8.5508","0.001","8.5508","0.001","21.53","0.003","90","","90","","120","","1363.3","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C3 H18 I9 N3 Sb2 -","- C2 I9 Sb2 -","- C4 I18 Sb4 -","2","0.0833333","","Ju, Dianxing; Jiang, Xiaomei; Xiao, Hang; Chen, Xi; Hu, Xiaobo; Tao, Xutang","Narrow band gap and high mobility of lead-free perovskite single crystal Sn-doped MA3Sb2I9","Journal of Materials Chemistry A","2018","6","42","20753","","10.1039/C8TA08315K","","","0.71073","MoKα","","0.0448","0.0373","","","0.1408","0.146","","","","","","1.23","","","","has coordinates","237499","2020-10-21","18:00:00",""
"7237227","14.7622","0.0012","14.6228","0.0012","14.8907","0.0013","90","","103.074","0.005","90","","3131.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O13 Zn2 -","- C26 H27 N7 O13 Zn2 -","- C104 H108 N28 O52 Zn8 -","4","1","","Das, Prasenjit; Mandal, Sanjay K.","A highly emissive fluorescent Zn-MOF: molecular decoding strategies for solvents and trace detection of dunnite in water","Journal of Materials Chemistry A","2018","6","43","21274","","10.1039/C8TA08546C","","","0.71073","MoKα","","0.084","0.0746","","","0.2125","0.2206","","","","","","1.01","","","","has coordinates","237502","2020-10-21","18:00:00",""
"7237231","4.94","0.0003","7.5682","0.0004","14.0353","0.0007","77.659","0.002","82.403","0.002","81.37","0.002","504.08","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","guanidinium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methanide hydrate","","- C4 H10 N8 O6 -","- C4 H10 N8 O6 -","- C8 H20 N16 O12 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0336","0.0304","","","0.0877","0.1105","","","","","","1.156","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237232","3.6481","0.0001","10.9836","0.0004","13.2014","0.0004","107.196","0.002","95.394","0.002","99.113","0.002","493.35","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","amino(hydrazinyl)methaniminium dinitro(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl) methanide","","- C4 H9 N9 O5 -","- C4 H9 N9 O5 -","- C8 H18 N18 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","1.54178","CuKα","","0.0406","0.0382","","","0.1091","0.1117","","","","","","1.041","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237233","6.785","0.002","7.137","0.002","7.965","0.002","85.052","0.005","74.005","0.005","84.941","0.005","368.55","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H6 N6 O5 -","- C3 H6 N6 O5 -","- C6 H12 N12 O10 -","2","1","","Zhang, Jichuan; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","Desensitization of the dinitromethyl group: molecular/crystalline factors that affect the sensitivities of energetic materials","Journal of Materials Chemistry A","2018","6","45","22705","","10.1039/C8TA09176E","","","0.71073","MoKα","","0.0828","0.0451","","","0.1042","0.1424","","","","","","1.064","","","","has coordinates","237506","2020-10-21","18:00:00",""
"7237263","11.7124","0.0004","22.5365","0.0007","24.352","0.0007","90","","90","","90","","6427.9","0.3","293.7","0.4","293.7","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H54 O15 -","- C84 H54 O15 -","- C336 H216 O60 -","4","1","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","1.54184","CuKα","","0.0615","0.0512","","","0.1374","0.1481","","","","","","1.022","","","","has coordinates","237536","2020-10-21","18:00:00",""
"7237264","12.7039","0.0006","13.6838","0.0011","20.0466","0.0013","71.882","0.007","78.624","0.005","75.444","0.006","3178.8","0.4","129.9","0.4","129.9","0.4","","","","","","","","3","P 1","P 1","1","","","","- C32 H22 O8 -","- C32 H22 O8 -","- C128 H88 O32 -","4","4","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","0.71073","MoKα","","0.084","0.0564","","","0.1454","0.1626","","","","","","0.911","","","","has coordinates","237536","2020-10-21","18:00:00",""
"7237265","8.358","0.002","9.923","0.002","17.348","0.004","105.023","0.003","93.779","0.003","109.005","0.003","1295.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N4 O4 -","- C29 H28 N4 O4 -","- C58 H56 N8 O8 -","2","1","","Zhang, Mingzhu; Du, Wei; Tian, Xiaohe; Zhang, Ruilong; Zhao, Meng; Zhou, Hongping; Ding, Yaqi; Li, Lin; Wu, Jieying; Tian, Yupeng","Real-time noninvasive monitoring of cell mortality using a two-photon emissive probe based on quaternary ammonium","Journal of Materials Chemistry B","2018","6","27","4417","","10.1039/C8TB00976G","","","0.71073","MoKα","","0.0707","0.0499","","","0.1255","0.1411","","","","","","0.971","","","","has coordinates","237537","2020-10-21","18:00:00",""
"7237266","20.2784","0.0012","11.6978","0.0007","20.667","0.0012","90","","115.464","0.001","90","","4426.2","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H30 Ag3 F9 N12 O10 S3 -","- C30 H30 Ag3 F9 N12 O10 S3 -","- C120 H120 Ag12 F36 N48 O40 S12 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0318","0.0266","","","0.0571","0.0596","","","","","","1.019","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237267","10.1679","0.0009","21.1811","0.0018","9.9402","0.0008","90","","92.138","0.002","90","","2139.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H20 Ag B F4 N8 -","- C18 H20 Ag B F4 N8 -","- C72 H80 Ag4 B4 F16 N32 -","4","1","","Wang, Xin Rui; Du, Jing; Huang, Zhuo; Liu, Kun; Liu, Yuan Yuan; Huo, Jian Zhong; Liu, Zhong Yi; Dong, Xiao Yu; Chen, Li Li; Ding, Bin","Anion directing self-assembly of 2D and 3D water-stable silver(i) cation metal organic frameworks and their applications in real-time discriminating cysteine and DNA detection","Journal of Materials Chemistry B","2018","6","28","4569","","10.1039/C8TB01032C","","","0.71073","MoKα","","0.0399","0.0365","","","0.0826","0.0851","","","","","","1.074","","","","has coordinates","237538","2020-10-21","18:00:00",""
"7237268","6.4995","0.0002","18.1405","0.0005","10.605","0.0003","90","","100.155","0.002","90","","1230.79","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H0 N O5 Zn -","- C13 N O5 Zn -","- C52 N4 O20 Zn4 -","4","1","","Zhang, Jun; Huang, Yike; Yue, Dan; Cui, Yuanjing; Yang, Yu; Qian, Guodong","A luminescent turn-up metal‒organic framework sensor for tryptophan based on singlet‒singlet Förster energy transfer","Journal of Materials Chemistry B","2018","6","31","5174","","10.1039/C8TB01592A","","","0.71073","MoKα","","0.0412","0.0359","","","0.134","0.1387","","","","","","1.212","","","","has coordinates","237540","2020-10-21","18:00:00",""
"7237270","26.178","0.006","6.0436","0.0009","8.6187","0.0014","90","","94.872","0.016","90","","1358.6","0.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O -","- C20 H16 O -","- C80 H64 O4 -","4","1","","Garrett, Mary Robert; Durán-Peña, María Jesús; Lewis, William; Pudzs, Kaspars; Užulis, Jānis; Mihailovs, Igors; Tyril, Björk; Shine, Jonathan; Smith, Emily F.; Rutkis, Martins; Woodward, Simon","Synthesis and thermoelectric properties of 2- and 2,8-substituted tetrathiotetracenes","Journal of Materials Chemistry C","2018","6","13","3403","","10.1039/C8TC00073E","","x-ray","1.54184","CuKα","K-L~2,3~","0.1896","0.1423","","","0.4282","0.4701","","","","","","1.713","","","","has coordinates","237543","2020-10-21","18:00:00",""
"7237271","8.1917","0.0004","9.5688","0.0005","18.0523","0.001","100.673","0.0009","91.6388","0.0009","104.935","0.0009","1339.22","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H52 F4 I2 N4 O8 S2 -","- C58 H52 F4 I2 N4 O8 S2 -","- C58 H52 F4 I2 N4 O8 S2 -","1","0.5","","Weldeab, Asmerom O.; Steen, April; Starkenburg, Daken J.; Williams, Jon Steven Dal; Abboud, Khalil A.; Xue, Jiangeng; Hammer, Nathan I.; Castellano, Ronald K.; Watkins, Davita L.","Tuning the structural and spectroscopic properties of donor‒acceptor‒donor oligomers via mutual X-bonding, H-bonding, and π‒π interactions","Journal of Materials Chemistry C","2018","6","44","11992","","10.1039/C8TC00074C","","","0.71073","MoKα","","0.0385","0.0251","","","0.0499","0.0525","","","","","","0.966","","","","has coordinates","237545","2020-10-21","18:00:00",""
"7237272","8.2494","0.0003","9.3069","0.0004","15.1499","0.0007","87.1718","0.001","78.7559","0.001","77.6043","0.0009","1114.2","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 Cl6 N4 O6 S2 -","- C46 H38 Cl6 N4 O6 S2 -","- C46 H38 Cl6 N4 O6 S2 -","1","0.5","","Weldeab, Asmerom O.; Steen, April; Starkenburg, Daken J.; Williams, Jon Steven Dal; Abboud, Khalil A.; Xue, Jiangeng; Hammer, Nathan I.; Castellano, Ronald K.; Watkins, Davita L.","Tuning the structural and spectroscopic properties of donor‒acceptor‒donor oligomers via mutual X-bonding, H-bonding, and π‒π interactions","Journal of Materials Chemistry C","2018","6","44","11992","","10.1039/C8TC00074C","","","0.71073","MoKα","","0.0584","0.0361","","","0.0862","0.101","","","","","","0.987","","","","has coordinates","237545","2020-10-21","18:00:00",""
"7237273","9.2966","0.0005","20.8159","0.0012","25.0346","0.0014","90","","97.841","0.002","90","","4799.3","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 N2 -","- C66 H52 N2 -","- C264 H208 N8 -","4","1","","Zeng, Weixuan; Zhao, Yongbiao; Ning, Weimin; Gong, Shaolong; Zhu, Zece; Zou, Yang; Lu, Zheng-Hong; Yang, Chuluo","Efficient non-doped fluorescent OLEDs with nearly 6% external quantum efficiency and deep-blue emission approaching the blue standard enabled by quaterphenyl-based emitters","Journal of Materials Chemistry C","2018","6","16","4479","","10.1039/C8TC00317C","","","0.71073","MoKα","","0.1135","0.0517","","","0.1177","0.1473","","","","","","0.998","","","","has coordinates","237547","2020-10-21","18:00:00",""
"7237274","43.6168","0.0015","19.7236","0.0007","30.5768","0.0011","90","","125.495","0.002","90","","21416.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Dy4 Fe7 N11 O47 -","- C65 H133 Dy4 Fe7 N8 O47 -","- C520 H1064 Dy32 Fe56 N64 O376 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0543","0.0438","","","0.1099","0.1137","","","","","","0.988","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237275","43.521","0.002","19.6914","0.0009","30.4499","0.0015","90","","125.444","0.001","90","","21259.3","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Fe7 N11 O47 Tb4 -","- C71 H133 Fe7 N11 O47 Tb4 -","- C568 H1064 Fe56 N88 O376 Tb32 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0451","0.0392","","","0.1265","0.1315","","","","","","1.049","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237276","43.357","0.005","19.735","0.002","30.376","0.006","90","","125.406","0.004","90","","21185","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H143.5 Fe7 Gd4 N11.5 O47 -","- C67 H133 Fe7 Gd4 N9 O47 -","- C536 H1064 Fe56 Gd32 N72 O376 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0464","0.0325","","","0.0656","0.0692","","","","","","1.06","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237277","43.5252","0.0018","19.688","0.0008","30.3545","0.0012","90","","125.505","0.001","90","","21175.1","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C71 H142 Fe7 N11 O47 Y4 -","- C71 H133 Fe7 N11 O47 Y4 -","- C568 H1064 Fe56 N88 O376 Y32 -","8","1","","Prodius, Denis; Mereacre, Valeriu; Singh, Prashant; Lan, Yanhua; Mameri, Samir; Johnson, Duane D.; Wernsdorfer, Wolfgang; Anson, Christopher E.; Powell, Annie K.","Influence of lanthanides on spin-relaxation and spin-structure in a family of Fe7Ln4 single molecule magnets","Journal of Materials Chemistry C","2018","6","11","2862","","10.1039/C8TC00322J","","","0.71073","MoKα","","0.0669","0.0403","","","0.0917","0.1016","","","","","","1.015","","","","has coordinates,has disorder","237550","2020-10-21","18:00:00",""
"7237278","8.6164","0.0009","18.5966","0.0019","17.2232","0.0017","90","","92.76","0.002","90","","2756.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl Dy N4 O2 -","- C30 H32 Cl Dy N4 O2 -","- C120 H128 Cl4 Dy4 N16 O8 -","4","1","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Yin, Bing; Ke, Hongshan; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping","Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB","Journal of Materials Chemistry C","2018","6","15","4273","","10.1039/C8TC00353J","","","0.71073","MoKα","","0.0402","0.0285","","","0.0605","0.0701","","","","","","1.047","","","","has coordinates","237552","2020-10-21","18:00:00",""
"7237279","8.606","0.003","18.545","0.006","17.441","0.006","90","","93.068","0.005","90","","2779.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Br Dy N4 O2 -","- C30 H32 Br Dy N4 O2 -","- C120 H128 Br4 Dy4 N16 O8 -","4","1","","Jiang, Zhijie; Sun, Lin; Yang, Qi; Yin, Bing; Ke, Hongshan; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping","Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB","Journal of Materials Chemistry C","2018","6","15","4273","","10.1039/C8TC00353J","","","0.71073","MoKα","","0.0623","0.0565","","","0.1644","0.1687","","","","","","1.031","","","","has coordinates","237552","2020-10-21","18:00:00",""
"7237280","9.3698","0.0007","10.9783","0.0008","15.2591","0.001","87.38","0.003","76.302","0.003","82.659","0.004","1512.28","0.19","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C3.6 H3.8 N0.1 O0.2 S0.1 -","- C3.6 H3.8078 N0.1 O0.2 S0.1 -","- C72 H76.156 N2 O4 S2 -","20","10","","Liu, Xiaoyuan; Rezaee, Ehsan; Shan, Haiquan; Xu, Jiaju; Zhang, Yin; Feng, Yaomiao; Dai, Junfeng; Chen, Zhi-Kuan; Huang, Wei; Xu, Zong-Xiang","Dopant-free hole transport materials based on alkyl-substituted indacenodithiophene for planar perovskite solar cells","Journal of Materials Chemistry C","2018","6","17","4706","","10.1039/C8TC00385H","","","1.54178","CuKα","","0.0896","0.0816","","","0.2091","0.2163","","","","","","1.045","","","","has coordinates,has disorder","237554","2020-10-21","18:00:00",""
"7237281","11.8347","0.0007","11.848","0.0007","15.4459","0.0008","103.656","0.002","100.909","0.002","109.745","0.002","1893.2","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08 -","- C3.28 H3.84 Cl0.16 N0.08 O0.16 S0.08 -","- C82 H96 Cl4 N2 O4 S2 -","25","12.5","","Liu, Xiaoyuan; Rezaee, Ehsan; Shan, Haiquan; Xu, Jiaju; Zhang, Yin; Feng, Yaomiao; Dai, Junfeng; Chen, Zhi-Kuan; Huang, Wei; Xu, Zong-Xiang","Dopant-free hole transport materials based on alkyl-substituted indacenodithiophene for planar perovskite solar cells","Journal of Materials Chemistry C","2018","6","17","4706","","10.1039/C8TC00385H","","","0.71073","MoKα","","0.0541","0.0407","","","0.0978","0.1046","","","","","","1.039","","","","has coordinates,has disorder","237554","2020-10-21","18:00:00",""
"7237282","6.6762","0.0001","12.7767","0.0002","18.3011","0.0003","90","","90","","90","","1561.08","0.04","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","1","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54184","CuKα","","0.0338","0.0319","","","0.0842","0.0857","","","","","","1.045","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237283","18.2587","0.0003","6.7913","0.0002","12.8788","0.0003","90","","90","","90","","1596.98","0.07","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","0.5","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54178","CuKα","","0.0728","0.0621","","","0.1029","0.1076","","","","","","1.008","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237284","6.7455","0.0002","18.3207","0.0006","12.8506","0.0005","90","","93.473","0.004","90","","1585.19","0.09","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","1","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54178","CuKα","","0.0801","0.0723","","","0.1359","0.139","","","","","","1.02","","","","has coordinates,has disorder","237555","2020-10-21","18:00:00",""
"7237285","8.3287","0.0005","16.376","0.001","29.1881","0.0019","90","","92.363","0.003","90","","3977.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NiTSPP-TMPyP","","- C88 H79 N12 Ni O20.5 S4 -","- C88 H79 N12 Ni O20.5 S4 -","- C176 H158 N24 Ni2 O41 S8 -","2","0.5","","Borders, Bryan; Adinehnia, Morteza; Chilukuri, Bhaskar; Ruf, Michael; Hipps, K. W.; Mazur, Ursula","Tuning the optoelectronic characteristics of ionic organic crystalline assemblies","Journal of Materials Chemistry C","2018","6","15","4041","","10.1039/C8TC00416A","","","1.34139","GaKα","","0.0766","0.0523","","","0.14","0.1523","","","","","","1.048","","","","has coordinates,has disorder","237557","2020-10-21","18:00:00",""
"7237286","7.3865","0.0006","8.616","0.0006","7.512","0.0006","90","","109.395","0.009","90","","450.95","0.07","353","2","353","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","0.5","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0374","0.0296","","","0.0719","0.0748","","","","","","1.087","","","","has coordinates,has disorder","237558","2020-10-21","18:00:00",""
"7237287","7.2735","0.0003","8.571","0.0003","7.4768","0.0003","90","","108.893","0.004","90","","441","0.03","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","bromocholine bromide","(2-Bromoethyl)trimethylammonium bromide","","- C5 H13 Br2 N -","- C5 H13 Br2 N -","- C10 H26 Br4 N2 -","2","1","","Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming","Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature","Journal of Materials Chemistry C","2018","6","9","2221","","10.1039/C8TC00419F","","","0.71073","MoKα","","0.0316","0.03","","","0.0779","0.0786","","","","","","1.075","","","","has coordinates","237558","2020-10-21","18:00:00",""
"7237288","10.0807","0.0003","11.077","0.0005","32.5012","0.0013","91.153","0.004","94.764","0.003","91.904","0.003","3613.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N14 O26 Pr2 -","- C72 H64 N14 O26 Pr2 -","- C144 H128 N28 O52 Pr4 -","2","1","","Liao, Wei-Ming; Li, Chao-Jie; Wu, Xiangwen; Zhang, Jian-Hua; Wang, Zheng; Wang, Hai-Ping; Fan, Ya-Nan; Pan, Mei; Su, Cheng-Yong","Homometallic Ln(iii)-complexes from an ILCT ligand with sensitized vis-NIR emission, excitation-dependent PL color tuning and white-light emission","Journal of Materials Chemistry C","2018","6","13","3254","","10.1039/C8TC00458G","","","1.54184","CuKα","","0.1126","0.064","","","0.1556","0.197","","","","","","1.076","","","","has coordinates","237560","2020-10-21","18:00:00",""
"7237289","22.1509","0.0001","16.0378","0.0001","27.6728","0.0001","90","","90","","90","","9830.81","0.08","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H40 Eu N8 O17 -","- C45 H40 Eu N8 O17 -","- C360 H320 Eu8 N64 O136 -","8","1","","Liao, Wei-Ming; Li, Chao-Jie; Wu, Xiangwen; Zhang, Jian-Hua; Wang, Zheng; Wang, Hai-Ping; Fan, Ya-Nan; Pan, Mei; Su, Cheng-Yong","Homometallic Ln(iii)-complexes from an ILCT ligand with sensitized vis-NIR emission, excitation-dependent PL color tuning and white-light emission","Journal of Materials Chemistry C","2018","6","13","3254","","10.1039/C8TC00458G","","","1.54178","CuKα","","0.0588","0.053","","","0.1507","0.1545","","","","","","1.144","","","","has coordinates,has disorder","237560","2020-10-21","18:00:00",""
"7237290","8.812","0.0014","8.8274","0.0015","16.566","0.002","92.668","0.01","97.662","0.01","112.396","0.009","1174.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","1TP","1TP","","- C42 H58 B20 -","- C42 H58 B20 -","- C42 H58 B20 -","1","0.5","","Kwon, Youngjae; Han, Si Hyun; Yu, Seokhyeon; Lee, Jun Yeob; Lee, Kang Mun","Functionalized phenylimidazole-based facial-homoleptic iridium(iii) complexes and their excellent performance in blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","16","4565","","10.1039/C8TC00568K","","","0.71073","MoKα","","0.1245","0.0817","","","0.2345","0.2853","","","","","","1.066","","","","has coordinates","237562","2020-10-21","18:00:00",""
"7237291","14.985","0.003","26.651","0.005","17.246","0.003","90","","102.6","0.03","90","","6722","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CNIr","CNIr","","- C66 H66 Ir N9 -","- C66 H66 Ir N9 -","- C264 H264 Ir4 N36 -","4","1","","Kwon, Youngjae; Han, Si Hyun; Yu, Seokhyeon; Lee, Jun Yeob; Lee, Kang Mun","Functionalized phenylimidazole-based facial-homoleptic iridium(iii) complexes and their excellent performance in blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","16","4565","","10.1039/C8TC00568K","","","0.71073","MoKα","","0.0751","0.0463","","","0.1544","0.1796","","","","","","1.021","","","","has coordinates","237562","2020-10-21","18:00:00",""
"7237292","11.544","0.004","11.822","0.004","16.267","0.005","90","","107.419","0.005","90","","2118.2","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Liu, Xiang-Yang; Ge, Hui-Ting; Zhao, Yue; Zhao, Danli; Fan, Jian; Liao, Liang-Sheng","Novel carbazole derivatives designed by an ortho-linkage strategy for efficient phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","15","4300","","10.1039/C8TC00630J","","","0.71073","MoKα","","0.0874","0.058","","","0.1864","0.2215","","","","","","1.065","","","","has coordinates","237564","2020-10-21","18:00:00",""
"7237293","11.0823","0.0006","8.2233","0.0004","42.789","0.002","90","","90","","90","","3899.5","0.3","173","2","173","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C28 H20 -","- C28 H20 -","- C224 H160 -","8","1","","Liu, Dan; Li, Jie; Liu, Jie; Lu, Xiuqiang; Hu, Mengxiao; Li, Yang; Shu, Zhibin; Ni, Zhenjie; Ding, Shang; Jiang, Lang; Zhen, Yonggang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A new organic compound of 2-(2,2-diphenylethenyl)anthracene (DPEA) showing simultaneous electrical charge transport property and AIE optical characteristics","Journal of Materials Chemistry C","2018","6","15","3856","","10.1039/C8TC00763B","","","0.71073","MoKα","","0.0901","0.0752","","","0.1717","0.1817","","","","","","1.186","","","","has coordinates","237565","2020-10-21","18:00:00",""
"7237294","22.0253","0.0017","15.9315","0.0009","10.2459","0.0007","90","","100.064","0.007","90","","3539.9","0.4","160.1","0.6","160.1","0.6","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu O12 -","- C15 H15 Eu O12 -","- C120 H120 Eu8 O96 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.048","0.0411","","","0.0901","0.0938","","","","","","1.091","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237295","21.985","0.008","15.883","0.006","10.192","0.004","90","","100.172","0.006","90","","3503","2","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu0.7 O12 Tb0.3 -","- C15 H15 Eu0.7 O12 Tb0.3 -","- C120 H120 Eu5.6 O96 Tb2.4 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.0289","0.0278","","","0.0642","0.0648","","","","","","1.033","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237296","22.1778","0.0006","16.0639","0.0004","10.2487","0.0003","90","","100.134","0.002","90","","3594.26","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Eu0.33 O12 Tb0.67 -","- C15 H15 Eu0.33 O12 Tb0.67 -","- C120 H120 Eu2.64 O96 Tb5.36 -","8","1","","Bartolomé, E.; Bartolomé, J.; Arauzo, A.; Luzón, J.; Cases, R.; Fuertes, S.; Sicilia, V.; Sánchez-Cano, A. I.; Aporta, J.; Melnic, S.; Prodius, D.; Shova, S.","Heteronuclear {TbxEu1−x} furoate 1D polymers presenting luminescent properties and SMM behavior","Journal of Materials Chemistry C","2018","6","19","5286","","10.1039/C8TC00832A","","","0.71073","MoKα","","0.0326","0.028","","","0.0658","0.0685","","","","","","1.102","","","","has coordinates,has disorder","237567","2020-10-21","18:00:00",""
"7237297","4.1021","0.0013","8.259","0.003","9.176","0.002","98.51","0.02","89.43","0.04","105.65","0.03","295.91","0.16","298","","298","","","","","","","","","3","P -1","-P 1","2","","","PGP-4_2","- C16 H10 N4 -","- C16 H10 N4 -","- C16 H10 N4 -","1","0.5","","Gómez, Paula; Georgakopoulos, Stamatis; Cerón, José Pedro; da Silva, Iván; Más-Montoya, Miriam; Pérez, José; Tárraga, Alberto; Curiel, David","Hydrogen-bonded azaphenacene: a strategy for the organization of π-conjugated materials","Journal of Materials Chemistry C","2018","6","15","3968","","10.1039/C8TC00840J","powder diffraction","","0.953892","synchrotron","","4.12458","","","","","","","","1.17995","","","","","","","has coordinates","237569","2020-10-21","18:00:00",""
"7237298","12.307","0.003","5.5294","0.0014","15.071","0.005","90","","102.214","0.01","90","","1002.4","0.5","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 S2 -","- C28 H18 S2 -","- C56 H36 S4 -","2","0.5","","Hermann, Mathias; Wu, Ruihan; Grenz, David C.; Kratzert, Daniel; Li, Hanying; Esser, Birgit","Thioether- and sulfone-functionalized dibenzopentalenes as n-channel semiconductors for organic field-effect transistors","Journal of Materials Chemistry C","2018","6","20","5420","","10.1039/C8TC00970H","","x-ray","0.71073","MoKα","","0.0392","0.0365","","","0.0864","0.088","","","","","","1.058","","","","has coordinates","237571","2020-10-21","18:00:00",""
"7237299","8.951","0.005","9.552","0.005","14.344","0.009","103.52","0.02","91.36","0.02","101.337","0.015","1166","1.2","100","2","100.02","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F6 S2 -","- C30 H16 F6 S2 -","- C60 H32 F12 S4 -","2","1","","Hermann, Mathias; Wu, Ruihan; Grenz, David C.; Kratzert, Daniel; Li, Hanying; Esser, Birgit","Thioether- and sulfone-functionalized dibenzopentalenes as n-channel semiconductors for organic field-effect transistors","Journal of Materials Chemistry C","2018","6","20","5420","","10.1039/C8TC00970H","","x-ray","0.71073","MoKα","","0.043","0.0352","","","0.0899","0.0948","","","","","","1.038","","","","has coordinates,has disorder","237571","2020-10-21","18:00:00",""
"7237300","7.7699","0.0018","13.996","0.003","14.391","0.004","117.28","0.018","94.333","0.013","104.573","0.005","1312.6","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 Br2 F14 N2 O2 S2 Zn -","- C26 Br2 F14 N2 O2 S2 Zn -","- C52 Br4 F28 N4 O4 S4 Zn2 -","2","1","","Hu, J. X.; Karamshuk, S.; Gorbaciova, J.; Ye, H. Q.; Lu, H.; Zhang, Y. P.; Zheng, Y. X.; Liang, X.; Motevalli, M.; Abrahams, I.; Hernández, I.; Wyatt, P. B.; Gillin, W. P.","Enhancing the sensitization efficiency of erbium doped organic complexes by heavy halogen substitution","Journal of Materials Chemistry C","2018","6","26","7012","","10.1039/C8TC00971F","","x-ray","0.71073","MoKα","","0.1108","0.0622","","","0.146","0.1671","","","","","","1.025","","","","has coordinates","237574","2020-10-21","18:00:00",""
"7237301","9.7956","0.0007","17.7834","0.0015","10.0007","0.0008","90","","99.394","0.003","90","","1718.7","0.2","159","2","159","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O4 -","- C40 H56 N2 O4 -","- C80 H112 N4 O8 -","2","0.5","","Ogawa, Taku; Yanai, Nobuhiro; Fujiwara, Saiya; Nguyen, Thuc-Quyen; Kimizuka, Nobuo","Aggregation-free sensitizer dispersion in rigid ionic crystals for efficient solid-state photon upconversion and demonstration of defect effects","Journal of Materials Chemistry C","2018","6","21","5609","","10.1039/C8TC00977E","","","0.71075","MoKα","","0.0537","0.0492","","","0.1481","0.153","","","","","","1.094","","","","has coordinates","237576","2020-10-21","18:00:00",""
"7237302","22.4498","0.0004","15.6306","0.0002","22.1378","0.0003","90","","92.948","0.002","90","","7758","0.2","100","0.1","100","0.1","","","","","","","","7","I 1 a 1","I -2ya","9","","","","- C28 H12 La4 Mo12 N4 O74 Si -","- C28 H12 La4 Mo12 N4 O74 Si -","- C112 H48 La16 Mo48 N16 O296 Si4 -","4","1","","Kaczmarek, Anna M.","Eu3+/Tb3+ and Dy3+ POM@MOFs and 2D coordination polymers based on pyridine-2,6-dicarboxylic acid for ratiometric optical temperature sensing","Journal of Materials Chemistry C","2018","6","22","5916","","10.1039/C8TC01062E","","x-ray","0.71073","MoKα","","0.0522","0.0505","","","0.1272","0.1294","","","","","","1.054","","","","has coordinates","237578","2020-10-21","18:00:00",""
"7237303","8.9877","0.0002","14.3607","0.0004","24.6049","0.0007","90","","97.515","0.002","90","","3148.47","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H9 Eu0.88 N3 O22 Tb1.12 -","- C21 H9 Eu0.88 N3 O22 Tb1.12 -","- C84 H36 Eu3.52 N12 O88 Tb4.48 -","4","1","","Kaczmarek, Anna M.","Eu3+/Tb3+ and Dy3+ POM@MOFs and 2D coordination polymers based on pyridine-2,6-dicarboxylic acid for ratiometric optical temperature sensing","Journal of Materials Chemistry C","2018","6","22","5916","","10.1039/C8TC01062E","","x-ray","1.54184","CuKα","","0.0625","0.0526","","","0.1451","0.1556","","","","","","1.046","","","","has coordinates","237578","2020-10-21","18:00:00",""
"7237304","9.2516","0.0005","10.4441","0.0005","10.6544","0.0005","108.442","0.002","112.993","0.002","97.706","0.002","859","0.08","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(benzoate) silicon phthalocyanine","","- C46 H26 N8 O4 Si -","- C46 H26 N8 O4 Si -","- C46 H26 N8 O4 Si -","1","0.5","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.0334","0.0326","","","0.0815","0.0821","","","","","","1.059","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237305","8.6931","0.0002","10.8895","0.0003","11.6021","0.0003","104.591","0.001","109.742","0.001","92.148","0.001","991.3","0.04","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-napthoate) silicon phthalocyanine","","- C54 H30 N8 O4 Si -","- C54 H30 N8 O4 Si -","- C54 H30 N8 O4 Si -","1","0.5","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.0418","0.0358","","","0.0881","0.0916","","","","","","1.074","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237306","10.9435","0.0002","11.4401","0.0002","18.8824","0.0003","84.533","0.001","83.93","0.001","77.144","0.001","2285.51","0.07","147","2","147","2","","","","","","","","5","P -1","-P 1","2","","Bis(9-anthronate) silicon phthalocyanine","","- C62 H34 N8 O4 Si -","- C62 H34 N8 O4 Si -","- C124 H68 N16 O8 Si2 -","2","1","","Melville, Owen A.; Grant, Trevor M.; Lessard, Benoît H.","Silicon phthalocyanines as N-type semiconductors in organic thin film transistors","Journal of Materials Chemistry C","2018","6","20","5482","","10.1039/C8TC01116H","","","1.54178","CuKα","","0.037","0.0319","","","0.0808","0.0842","","","","","","1.036","","","","has coordinates","237580","2020-10-21","18:00:00",""
"7237307","10.6303","0.0002","21.0524","0.0005","12.4988","0.0003","90","","93.553","0.002","90","","2791.77","0.11","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C59 H62 Cl2 F6 Ir N4 O2 P -","- C118 H124 Cl4 F12 Ir2 N8 O4 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","0.71073","MoKα","","0.0765","0.0508","","","0.0995","0.1272","","","","","","1.079","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237308","14.5179","0.0004","14.7719","0.0006","15.0424","0.0006","63.787","0.004","70.237","0.003","87.517","0.002","2702.2","0.2","140","2","140.15","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H62 Cl6 F6 Ir N4 P -","- C51 H62 Cl6 F6 Ir N4 P -","- C102 H124 Cl12 F12 Ir2 N8 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","","0.71073","MoKα","","0.0591","0.044","","","0.1101","0.1205","","","","","","1.059","","","","has coordinates,has disorder","237583","2020-10-21","18:00:00",""
"7237309","10.5545","0.0001","20.9658","0.0003","12.6119","0.0002","90","","93.555","0.001","90","","2785.44","0.07","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C59 H62 Cl2 F6 Ir N4 P -","- C59 H62 Cl2 F6 Ir N4 P -","- C118 H124 Cl4 F12 Ir2 N8 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0422","0.0356","","","0.0841","0.0908","","","","","","1.06","","","","has coordinates","237583","2020-10-21","18:00:00",""
"7237310","10.7101","0.0001","20.1747","0.0002","14.3187","0.0001","90","","108.533","0.001","90","","2933.44","0.05","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H82 F6 Ir N4 O P -","- C60 H82 F6 Ir N4 O P -","- C120 H164 F12 Ir2 N8 O2 P2 -","2","1","","Hierlinger, Claus; Trzop, Elzbieta; Toupet, Loïc; Ávila, Jorge; La-Placa, Maria-Grazia; Bolink, Henk J.; Guerchais, Véronique; Zysman-Colman, Eli","Impact of the use of sterically congested Ir(iii) complexes on the performance of light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","24","6385","","10.1039/C8TC01130C","","x-ray","1.54184","CuKα","","0.0426","0.0391","","","0.1007","0.1087","","","","","","0.881","","","","has coordinates,has disorder","237583","2020-10-21","18:00:00",""
"7237311","13.9888","0.0005","19.9742","0.0008","14.8367","0.0006","90","","105.113","0.001","90","","4002.2","0.3","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Cl12 N2 O4 Pt2 -","- C74 H92 Cl12 N2 O4 Pt2 -","- C148 H184 Cl24 N4 O8 Pt4 -","2","0.5","","Yang, Shengyi; Meng, Fanyuan; Wu, Xiugang; Yin, Zheng; Liu, Xianzhi; You, Caifa; Wang, Yafei; Su, Shijian; Zhu, Weiguo","Dinuclear platinum(ii) complex dominated by a zig-zag-type cyclometalated ligand: a new approach to realize high-efficiency near infrared emission","Journal of Materials Chemistry C","2018","6","21","5769","","10.1039/C8TC01142G","","","0.71073","MoKα","","0.0602","0.0435","","","0.104","0.1148","","","","","","1.031","","","","has coordinates","237584","2020-10-21","18:00:00",""
"7237312","34.547","0.004","11.4277","0.0014","27.364","0.003","90","","92.157","0.003","90","","10795","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H70 N2 O2 Pt -","- C59 H70 N2 O2 Pt -","- C472 H560 N16 O16 Pt8 -","8","1","","Yang, Shengyi; Meng, Fanyuan; Wu, Xiugang; Yin, Zheng; Liu, Xianzhi; You, Caifa; Wang, Yafei; Su, Shijian; Zhu, Weiguo","Dinuclear platinum(ii) complex dominated by a zig-zag-type cyclometalated ligand: a new approach to realize high-efficiency near infrared emission","Journal of Materials Chemistry C","2018","6","21","5769","","10.1039/C8TC01142G","","","0.71073","MoKα","","0.0873","0.0497","","","0.1366","0.1933","","","","","","1.045","","","","has coordinates,has disorder","237584","2020-10-21","18:00:00",""
"7237313","5.9285","0.0003","14.3929","0.0008","15.8658","0.0008","90","","90","","90","","1353.8","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl4 N2 O Pb -","- C5 H15 Cl4 N2 O Pb -","- C20 H60 Cl16 N8 O4 Pb4 -","4","1","","Peng, Yu; Yao, Yunpeng; Li, Lina; Wu, Zhenyue; Wang, Sasa; Luo, Junhua","White-light emission in a chiral one-dimensional organic‒inorganic hybrid perovskite","Journal of Materials Chemistry C","2018","6","22","6033","","10.1039/C8TC01150H","","","0.71073","MoKα","","0.0392","0.0355","","","0.0849","0.0868","","","","","","1.081","","","","has coordinates","237586","2020-10-21","18:00:00",""
"7237314","17.666","0.002","16.9546","0.0019","21.093","0.002","90","","104.461","0.002","90","","6117.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 F6 Ir N5 -","- C33 H22 F6 Ir N5 -","- C264 H176 F48 Ir8 N40 -","8","2","","Su, Ning; Lu, Guang-Zhao; Zheng, You-Xuan","Highly efficient green electroluminescence of iridium(iii) complexes based on (1H-pyrazol-5-yl)pyridine derivatives ancillary ligands with low efficiency roll-off","Journal of Materials Chemistry C","2018","6","21","5778","","10.1039/C8TC01182F","","","0.71073","MoKα","","0.1267","0.0661","","","0.1465","0.1745","","","","","","1.019","","","","has coordinates,has disorder","237587","2020-10-21","18:00:00",""
"7237315","12.2965","0.0012","16.5703","0.0015","14.9226","0.0012","90","","99.037","0.001","90","","3002.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F9 Ir N5 -","- C33 H19 F9 Ir N5 -","- C132 H76 F36 Ir4 N20 -","4","1","","Su, Ning; Lu, Guang-Zhao; Zheng, You-Xuan","Highly efficient green electroluminescence of iridium(iii) complexes based on (1H-pyrazol-5-yl)pyridine derivatives ancillary ligands with low efficiency roll-off","Journal of Materials Chemistry C","2018","6","21","5778","","10.1039/C8TC01182F","","","0.71073","MoKα","","0.0388","0.0319","","","0.0839","0.0873","","","","","","1.032","","","","has coordinates","237587","2020-10-21","18:00:00",""
"7237316","6.8969","0.0007","15.6638","0.0014","9.6068","0.001","90","","102.059","0.01","90","","1014.94","0.18","90","","90","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H8 Co N8 O5 Tb -","- C16 H8 Co N8 O5 Tb -","- C32 H16 Co2 N16 O10 Tb2 -","2","0.5","","Kumar, Kunal; Chorazy, Szymon; Nakabayashi, Koji; Sato, Hiroyasu; Sieklucka, Barbara; Ohkoshi, Shin-ichi","TbCo and Tb0.5Dy0.5Co layered cyanido-bridged frameworks for construction of colorimetric and ratiometric luminescent thermometers","Journal of Materials Chemistry C","2018","6","31","8372","","10.1039/C8TC01305E","","x-ray","0.71073","MoKα","","0.1509","0.1365","","","0.3487","0.3592","","","","","","1.524","","","","has coordinates,has disorder","237589","2020-10-21","18:00:00",""
"7237317","19.0256","0.0007","6.8065","0.0003","20.2686","0.0009","90","","102.703","0.002","90","","2560.49","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F4 N2 -","- C36 H20 F4 N2 -","- C144 H80 F16 N8 -","4","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1047","0.0646","","","0.1499","0.1699","","","","","","1.076","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237318","22.949","0.002","9.1637","0.0009","31.752","0.003","90","","96.447","0.003","90","","6635.1","1.1","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C368 H240 N32 -","8","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1392","0.0955","","","0.1759","0.194","","","","","","1.206","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237319","10.0321","0.0013","11.8164","0.0017","15.471","0.002","90.653","0.007","93.45","0.007","113.629","0.007","1675.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C92 H60 N8 -","2","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.0749","0.0461","","","0.1005","0.1127","","","","","","1.02","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237320","8.1153","0.0005","17.5146","0.0011","36.762","0.002","90","","90","","90","","5225.2","0.5","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H20 F4 N2 -","- C36 H20 F4 N2 -","- C288 H160 F32 N16 -","8","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.1134","0.0842","","","0.1618","0.1707","","","","","","1.286","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237321","8.8671","0.0003","34.1025","0.0012","12.0757","0.0003","90","","128.71","0.002","90","","2849.4","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N O2 S -","- C37 H27 N O2 S -","- C148 H108 N4 O8 S4 -","4","1","","Li, Chuan; Du, Xiaoyang; Zhou, Yu; Ye, Jun; Fu, Lulu; Humphrey, Mark G.; Wu, Chao; Zhao, Juewen; Du, Yanqing; Tao, Silu; Wu, Jiacheng; Zhang, Chi","A simple and broadly applicable synthesis of fluorene-coupled D‒σ‒A type molecules: towards high-triplet-energy bipolar hosts for efficient blue thermally-activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","26","6949","","10.1039/C8TC01309H","","","0.71073","MoKα","","0.0436","0.0395","","","0.0964","0.0986","","","","","","1.11","","","","has coordinates","237591","2020-10-21","18:00:00",""
"7237322","14.088","0.005","20.94","0.007","11.306","0.004","90","","113.423","0.004","90","","3060.5","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cu N8 O7 -","- C30 H29 Cu N8 O7 -","- C120 H116 Cu4 N32 O28 -","4","1","","Zheng, Xubin; Fan, Ruiqing; Xing, Kai; Wang, Ani; Du, Xi; Wang, Ping; Yang, Yulin","Dual-emissive nanocomposites based on Eu(iii) functionalized Cu(i)-coordination polymer for ratiometric fluorescent sensing and integrating Boolean logic operations","Journal of Materials Chemistry C","2018","6","23","6229","","10.1039/C8TC01425F","","","0.71073","MoKα","","0.0601","0.0429","","","0.141","0.152","","","","","","1.078","","","","has coordinates","237593","2020-10-21","18:00:00",""
"7237323","13.4729","0.0006","11.6041","0.0005","24.7449","0.001","90","","97.034","0.002","90","","3839.5","0.3","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 O2 S -","- C50 H36 N2 S -","- C200 H144 N8 S4 -","4","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","","0.71073","MoKα","","0.0599","0.043","","","0.1036","0.114","","","","","","1.016","","","","has coordinates","237595","2020-10-21","18:00:00",""
"7237324","15.9689","0.0004","28.4291","0.0004","9.49878","0.00019","90","","106.722","0.002","90","","4129.91","0.15","99.98","0.1","99.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H37 Cl3 N2 O2 S -","- C51 H37 Cl3 N2 O2 S -","- C204 H148 Cl12 N8 O8 S4 -","4","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","x-ray","1.54184","CuKα","","0.0606","0.0478","","","0.1297","0.1399","","","","","","1.022","","","","has coordinates","237595","2020-10-21","18:00:00",""
"7237325","10.2848","0.0006","9.012","0.0005","19.3052","0.0011","90","","91.856","0.005","90","","1788.39","0.18","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H32 N2 S -","- C50 H32 N2 S -","- C100 H64 N4 S2 -","2","1","","Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong","Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","24","6534","","10.1039/C8TC01509K","","x-ray","1.54184","CuKα","","0.0683","0.0543","","","0.1306","0.1409","","","","","","1.001","","","","has coordinates","237595","2020-10-21","18:00:00",""
"7237326","22.874","0.003","4.0616","0.0006","22.609","0.003","90","","118.113","0.004","90","","1852.7","0.4","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","0.5","","Wang, Shan; Ma, Li; Wang, Qianyou; Shao, Pengpeng; Ma, Dou; Yuan, Shuai; Lei, Peng; Li, Pengfei; Feng, Xiao; Wang, Bo","Covalent organic frameworks: a platform for the experimental establishment of the influence of intermolecular distance on phosphorescence","Journal of Materials Chemistry C","2018","6","20","5369","","10.1039/C8TC01559G","","","0.71073","MoKα","","0.0581","0.0409","","","0.1012","0.113","","","","","","1.022","","","","has coordinates","237597","2020-10-21","18:00:00",""
"7237327","26.689","0.005","18.782","0.004","25.868","0.005","90","","91.52","0.03","90","","12962","4","153","2","153.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H40 B F24 Ir N4 -","- C72 H40 B F24 Ir N4 -","- C576 H320 B8 F192 Ir8 N32 -","8","1","","Ma, Dongxin; Liu, Ruihuan; Qiu, Yong; Duan, Lian","High-performance yellow- and orange-emitting diodes based on novel sublimable cationic iridium(iii) complexes by ligand control","Journal of Materials Chemistry C","2018","6","21","5630","","10.1039/C8TC01566J","","","0.71073","MoKα","","0.1336","0.1127","","","0.3028","0.3386","","","","","","1.203","","","","has coordinates","237599","2020-10-21","18:00:00",""
"7237328","17.421","0.004","17.68","0.004","18.115","0.004","93.23","0.03","92.79","0.03","101.64","0.03","5446","2","153","2","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H28 B F20 Ir N4 -","- C64 H28 B F20 Ir N4 -","- C256 H112 B4 F80 Ir4 N16 -","4","2","","Ma, Dongxin; Liu, Ruihuan; Qiu, Yong; Duan, Lian","High-performance yellow- and orange-emitting diodes based on novel sublimable cationic iridium(iii) complexes by ligand control","Journal of Materials Chemistry C","2018","6","21","5630","","10.1039/C8TC01566J","","","0.71073","MoKα","","0.0557","0.0451","","","0.1414","0.1837","","","","","","1.163","","","","has coordinates","237599","2020-10-21","18:00:00",""
"7237329","21.3125","0.0005","42.5673","0.0011","12.9321","0.0003","90","","94.654","0.002","90","","11693.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H48 In3 N4 O24 -","- C84 H48 In3 N4 O24 -","- C336 H192 In12 N16 O96 -","4","0.5","","Fu, Hong-Ru; Zhao, Ying; Xie, Tao; Han, Min-Le; Ma, Lu-Fang; Zang, Shuang-Quan","Stable dye-encapsulated indium‒organic framework as dual-emitting sensor for the detection of Hg2+/Cr2O72− and a wide range of nitro-compounds","Journal of Materials Chemistry C","2018","6","24","6440","","10.1039/C8TC01571F","","","0.71073","MoKα","","0.086","0.0715","","","0.1728","0.1796","","","","","","1.054","","","","has coordinates","237601","2020-10-21","18:00:00",""
"7237330","10.771","0.002","5.5138","0.0011","20.877","0.004","90","","98.08","0.03","90","","1227.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 S4 -","- C28 H22 O2 S4 -","- C56 H44 O4 S8 -","2","0.5","","Liao, Qing; Wang, Zhen; Gao, Qinggang; Zhang, Zhaoyi; Ren, Jiahuan; De, Jianbo; Zhang, Xiaosen; Xu, Zhenzhen; Fu, Hongbing","The effect of 1D- and 2D-polymorphs on organic single-crystal optoelectronic devices: lasers and field effect transistors","Journal of Materials Chemistry C","2018","6","30","7994","","10.1039/C8TC01584H","","","0.71073","MoKα","","0.0678","0.0612","","","0.1423","0.1465","","","","","","1.116","","","","has coordinates","237603","2020-10-21","18:00:00",""
"7237331","14.239","0.003","9.3938","0.0019","9.0364","0.0018","90","","102.22","0.03","90","","1181.3","0.4","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 S4 -","- C28 H22 O2 S4 -","- C56 H44 O4 S8 -","2","0.5","","Liao, Qing; Wang, Zhen; Gao, Qinggang; Zhang, Zhaoyi; Ren, Jiahuan; De, Jianbo; Zhang, Xiaosen; Xu, Zhenzhen; Fu, Hongbing","The effect of 1D- and 2D-polymorphs on organic single-crystal optoelectronic devices: lasers and field effect transistors","Journal of Materials Chemistry C","2018","6","30","7994","","10.1039/C8TC01584H","","","0.710747","MoKα","","0.0586","0.051","","","0.121","0.1264","","","","","","1.105","","","","has coordinates,has disorder","237603","2020-10-21","18:00:00",""
"7237332","6.3301","0.0004","6.3301","0.0004","12.334","0.0017","90","","90","","120","","428.01","0.07","273","2","273","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Gd In O3 -","- Gd In O3 -","- Gd6 In6 O18 -","6","0.5","","Li, Yanbin; Wang, Yazhong; Tan, Wenjie; Wang, Wenbo; Zhang, Junjie; Kim, Jae Wook; Cheong, Sang-Wook; Tao, Xutang","Laser floating zone growth of improper geometric ferroelectric GdInO3 single crystals with Z6 topological defects","Journal of Materials Chemistry C","2018","6","26","7024","","10.1039/C8TC01664J","","","0.71073","MoKα","","0.0268","0.0205","","","0.0425","0.0451","","","","","","1.128","","","","has coordinates","237605","2020-10-21","18:00:00",""
"7237333","19.964","0.002","13.6664","0.0014","20.645","0.002","90","","90","","90","","5632.7","1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H22 N4 O -","- C37 H22 N4 O -","- C296 H176 N32 O8 -","8","1","","Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo","Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance","Journal of Materials Chemistry C","2018","6","24","6543","","10.1039/C8TC01698D","","","0.71073","MoKα","","0.1096","0.0524","","","0.1186","0.1496","","","","","","0.978","","","","has coordinates","237606","2020-10-21","18:00:00",""
"7237334","10.3134","0.0009","13.439","0.001","18.0482","0.0015","80.535","0.003","88.487","0.003","83.795","0.003","2452.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Cl9 N5 O2 -","- C52 H32 Cl9 N5 O2 -","- C104 H64 Cl18 N10 O4 -","2","1","","Chen, Zhanxiang; Wu, Zhongbin; Ni, Fan; Zhong, Cheng; Zeng, Weixuan; Wei, Danqing; An, Kebin; Ma, Dongge; Yang, Chuluo","Emitters with a pyridine-3,5-dicarbonitrile core and short delayed fluorescence lifetimes of about 1.5 μs: orange-red TADF-based OLEDs with very slow efficiency roll-offs at high luminance","Journal of Materials Chemistry C","2018","6","24","6543","","10.1039/C8TC01698D","","","0.71073","MoKα","","0.2118","0.1318","","","0.3557","0.4173","","","","","","1.204","","","","has coordinates","237606","2020-10-21","18:00:00",""
"7237335","26.3805","0.0003","26.3805","0.0003","26.3805","0.0003","90","","90","","90","","18359","0.4","293","2","293","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C6 H2 Cu O5 -","- C6 H2 Cu O5 -","- C288 H96 Cu48 O240 -","48","0.25","","Gao, Ping; Sun, Xiang-Ying; Liu, Bin; Lian, Hui-Ting; Liu, Xin-Qiang; Shen, Jiang-Shan","Cu MOF-based catalytic sensing for formaldehyde","Journal of Materials Chemistry C","2018","6","30","8105","","10.1039/C8TC01703D","","","0.71073","MoKα","","0.0369","0.0297","","","0.0769","0.0818","","","","","","1.138","","","","has coordinates","237608","2020-10-21","18:00:00",""
"7237336","8.196","0.0001","17.4528","0.0003","22.7194","0.0004","85.2769","0.0007","88.8887","0.0009","79.7843","0.0011","3187.44","0.09","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 F4 N8 S6 -","- C68 H56 F8 N8 S6 -","- C136 H112 F16 N16 S12 -","2","1","","Yamamoto, Keitaro; Ie, Yutaka; Nitani, Masashi; Tohnai, Norimitsu; Kakiuchi, Fumitoshi; Zhang, Ke; Pisula, Wojciech; Asadi, Kamal; Blom, Paul W. M.; Aso, Yoshio","Oligothiophene quinoids containing a benzo[c]thiophene unit for the stabilization of the quinoidal electronic structure","Journal of Materials Chemistry C","2018","6","28","7493","","10.1039/C8TC01802B","","","0.8","","","0.1056","0.0744","","","0.1973","0.2269","","","","","","1.05","","","","has coordinates","237610","2020-10-21","18:00:00",""
"7237337","8.7349","0.0003","18.3308","0.0005","14.1743","0.0005","90","","94.763","0.003","90","","2261.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N0.11 O2 P -","- C12 H8.88889 N1.33333 O0.444444 P0.444444 -","- C108 H80 N12 O4 P4 -","9","2.25","","Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui","A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs","Journal of Materials Chemistry C","2018","6","25","6747","","10.1039/C8TC02010H","","","0.71073","MoKα","","0.073","0.0522","","","0.1553","0.1737","","","","","","1.099","","","","has coordinates","237612","2020-10-21","18:00:00",""
"7237338","18.7793","0.0007","8.0735","0.0002","26.4549","0.0011","90","","122.492","0.003","90","","3383.1","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H112 Cl8 N20 O4 P4 -","- C160 H112 Cl8 N20 O4 P4 -","- C160 H112 Cl8 N20 O4 P4 -","1","0.25","","Li, Chenyu; Fan, Xuefeng; Han, Chunmiao; Xu, Hui","A ternary phosphine oxide host featuring thermally activated delayed fluorescence for blue PHOLEDs with >20% EQE and extremely low roll-offs","Journal of Materials Chemistry C","2018","6","25","6747","","10.1039/C8TC02010H","","","0.71073","MoKα","","0.0773","0.05","","","0.1144","0.1299","","","","","","1.015","","","","has coordinates","237612","2020-10-21","18:00:00",""
"7237339","4.8832","0.0003","10.2613","0.0006","14.188","0.0009","106.954","0.005","94.112","0.004","97.995","0.005","668.68","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O2 S4 -","- C30 H32 N2 O2 S4 -","- C30 H32 N2 O2 S4 -","1","0.5","","Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure","Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains","Journal of Materials Chemistry C","2018","6","34","9140","","10.1039/C8TC02022A","","","1.54178","CuKα","","0.0825","0.0533","","","0.1245","0.1382","","","","","","1.059","","","","has coordinates","237614","2020-10-21","18:00:00",""
"7237340","5.7223","0.0016","10.466","0.003","15.047","0.004","73.211","0.007","84.94","0.007","89.137","0.007","859.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 N2 O2 S4 -","- C34 H40 N2 O2 S4 -","- C34 H40 N2 O2 S4 -","1","0.5","","Genevaz, Nicolas; Chávez, Patricia; Untilova, Viktoriia; Boeglin, Alex; Bailly, Corinne; Karmazin, Lydia; Biniek, Laure","Tuning crystallochromism in diketopyrrolopyrrole-co-thieno[3,2-b]thiophene derivatives by the architecture of their alkyl side chains","Journal of Materials Chemistry C","2018","6","34","9140","","10.1039/C8TC02022A","","","0.71073","MoKα","","0.2114","0.1287","","","0.3072","0.354","","","","","","1.038","","","","has coordinates,has disorder","237614","2020-10-21","18:00:00",""
"7237341","6.7315","0.0004","15.9916","0.0009","6.9266","0.0004","90","","90.922","0.003","90","","745.53","0.07","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C H12 Cd3 Cl7 N O3 -","- C H12 Cd3 Cl7 N O3 -","- C2 H24 Cd6 Cl14 N2 O6 -","2","0.5","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0238","0.0192","","","0.0405","0.0424","","","","","","1.061","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237342","5.227","0.003","5.227","0.003","19.416","0.015","90","","90","","90","","530.5","0.6","100","2","100","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C4 H32 Cd2 Cl8 N4 -","- C4 H16 Cd2 Cl8 N4 -","- C4 H16 Cd2 Cl8 N4 -","1","0.03125","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0792","0.0777","","","0.1739","0.1766","","","","","","1.228","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237343","9.0205","0.0007","7.0051","0.0004","14.6747","0.0012","90","","90.509","0.007","90","","927.25","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H6 Cd I3 N -","- C H6 Cd I3 N -","- C4 H24 Cd4 I12 N4 -","4","1","","Hsu, Hsien-Yi; Ji, Li; Zhang, Chengxi; Mak, Chun Hong; Liu, Rugeng; Wang, Tie; Zou, Xingli; Leu, Shao-Yuan; Yu, Edward T.","Ultra-stable 2D layered methylammonium cadmium trihalide perovskite photoelectrodes","Journal of Materials Chemistry C","2018","6","43","11552","","10.1039/C8TC02153H","","","0.71073","MoKα","","0.0795","0.0596","","","0.1591","0.1749","","","","","","1.14","","","","has coordinates","237615","2020-10-21","18:00:00",""
"7237344","10.55","0.0012","11.5139","0.0013","12.1433","0.0014","80.04","0.005","67.55","0.004","66.397","0.004","1248.9","0.3","175.81","","175.81","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H27 N O -","- C35 H27 N O -","- C70 H54 N2 O2 -","2","1","","Su, Xing; Ji, Yanglimin; Pan, Wanting; Chen, Siqi; Zhang, Yu-Mo; Lin, Tingting; Liu, Lulu; Li, Minjie; Liu, Yifei; Zhang, Sean Xiao-An","Pyrene spiropyran dyad: solvato-, acido- and mechanofluorochromic properties and its application in acid sensing and reversible fluorescent display","Journal of Materials Chemistry C","2018","6","26","6940","","10.1039/C8TC02208A","","","0.71073","MoKα","","0.107","0.0881","","","0.2723","0.2824","","","","","","1.127","","","","has coordinates","237617","2020-10-21","18:00:00",""
"7237345","11.6027","0.0005","16.4388","0.0007","23.841","0.001","90","","101.719","0.001","90","","4452.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 F6 Ir N3 P2 S2 -","- C48 H34 F6 Ir N3 P2 S2 -","- C192 H136 F24 Ir4 N12 P8 S8 -","4","1","","Xia, Jing-Cheng; Liang, Xiao; Yan, Zhi-Ping; Wu, Zheng-Guang; Zhao, Yue; Zheng, You-Xuan; Zhang, Wen-Wei","Iridium(iii) phosphors with bis(diphenylphorothioyl)amide ligand for efficient green and sky-blue OLEDs with EQE of nearly 28%","Journal of Materials Chemistry C","2018","6","33","9010","","10.1039/C8TC02265H","","","0.71073","MoKα","","0.0587","0.0384","","","0.086","0.094","","","","","","1.038","","","","has coordinates","237618","2020-10-21","18:00:00",""
"7237346","16.0999","0.0009","13.7659","0.0008","17.3693","0.001","90","","92.617","0.001","90","","3845.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Ir N3 P2 S2 -","- C46 H36 Ir N3 P2 S2 -","- C184 H144 Ir4 N12 P8 S8 -","4","1","","Xia, Jing-Cheng; Liang, Xiao; Yan, Zhi-Ping; Wu, Zheng-Guang; Zhao, Yue; Zheng, You-Xuan; Zhang, Wen-Wei","Iridium(iii) phosphors with bis(diphenylphorothioyl)amide ligand for efficient green and sky-blue OLEDs with EQE of nearly 28%","Journal of Materials Chemistry C","2018","6","33","9010","","10.1039/C8TC02265H","","","0.71073","MoKα","","0.0494","0.0303","","","0.0637","0.0723","","","","","","0.901","","","","has coordinates","237618","2020-10-21","18:00:00",""
"7237347","10.325","0.01","9.558","0.006","12.703","0.008","90","","90.73","0.07","90","","1253.5","1.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylvalinate","","- C15 H34 B10 N2 O4 -","- C15 H34 B10 N2 O4 -","- C30 H68 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.1212","0.0592","","","0.1115","0.1196","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237348","11.118","0.007","9.389","0.004","13.347","0.007","90","","109.56","0.05","90","","1312.8","1.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylleucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0995","0.0583","","","0.1254","0.1345","","","","","","1.002","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237349","10.44","0.004","9.605","0.005","13.592","0.008","90","","102.89","0.04","90","","1328.6","1.2","295","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0879","0.0529","","","0.102","0.1064","","","","","","1.001","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237350","9.994","0.006","10.816","0.004","21.367","0.015","90","","90","","90","","2310","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C15 H32 B10 N2 O4 -","- C15 H32 B10 N2 O4 -","- C60 H128 B40 N8 O16 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0525","0.0404","","","0.0839","0.0857","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237351","7.376","0.003","11.388","0.003","31.773","0.017","90","","90","","90","","2668.9","1.9","295","2","295","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","(S,S)-tert-Butyl N-(3-formamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C18 H32 B10 N2 O4 -","- C18 H32 B10 N2 O4 -","- C72 H128 B40 N8 O16 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0895","0.0396","","","0.0734","0.0775","","","","","","1.0372","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237352","10.388","0.011","9.372","0.01","13.622","0.01","90","","107.01","0.08","90","","1268","2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetyl-tert-leucinate","","- C16 H36 B10 N2 O4 -","- C16 H36 B10 N2 O4 -","- C32 H72 B20 N4 O8 -","2","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0464","0.0402","","","0.099","0.1008","","","","","","1.003","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237353","9.797","0.005","10.754","0.004","27.432","0.013","90","","90","","90","","2890","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C20 H38 B10 N2 O5 -","- C20 H38 B10 N2 O5 -","- C80 H152 B40 N8 O20 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0469","0.0428","","","0.0973","0.0987","","","","","","1.007","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237354","12.565","0.011","17.879","0.006","13.048","0.005","90","","112.99","0.06","90","","2698","3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C19 H34 B10 N2 O4 -","- C19 H34 B10 N2 O4 -","- C76 H136 B40 N8 O16 -","4","2","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0972","0.0501","","","0.1006","0.1094","","","","","","0.9817","","","","has coordinates,has disorder","237620","2020-10-21","18:00:00",""
"7237355","10.4838","0.0012","11.4338","0.0013","13.0145","0.0015","65.383","0.002","67.374","0.002","71.286","0.003","1284.9","0.3","173","2","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Ba3 O20 S4 -","- C44 H38 Ba3 O20 S4 -","- C44 H38 Ba3 O20 S4 -","1","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0405","0.0314","","","0.068","0.072","","","","","","1.128","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237356","11.4325","0.0013","23.171","0.002","9.7852","0.0011","90","","102.152","0.003","90","","2534","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Ca N2 O10 -","- C24 H22 Ca N2 O10 -","- C96 H88 Ca4 N8 O40 -","4","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0877","0.0549","","","0.1209","0.1364","","","","","","1.063","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237357","10.2325","0.0004","10.4579","0.0004","11.665","0.0004","106.737","0.002","108.856","0.002","104.541","0.002","1046.5","0.07","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 O18 S2 Sr3 -","- C40 H26 O18 S2 Sr3 -","- C40 H26 O18 S2 Sr3 -","1","0.5","","Zhai, Lu; Yang, Zhu-Xi; Zhang, Wen-Wei; Zuo, Jing-Lin; Ren, Xiao-Ming","Dual-emission and thermochromic luminescence alkaline earth metal coordination polymers and their blend films with polyvinylidene fluoride for detecting nitrobenzene vapor","Journal of Materials Chemistry C","2018","6","26","7030","","10.1039/C8TC02400F","","","0.71073","MoKα","","0.0454","0.0354","","","0.0819","0.0877","","","","","","1.048","","","","has coordinates,has disorder","237623","2020-10-21","18:00:00",""
"7237358","8.4386","0.0008","9.4891","0.0009","11.2415","0.0011","106.972","0.009","102.465","0.008","107.518","0.008","774.17","0.16","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0706","0.0499","","","0.1115","0.1282","","","","","","1.056","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237359","13.907","0.0012","5.022","0.0006","33.693","0.003","90","","93.091","0.008","90","","2349.7","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N3 O3 S -","- C27 H23 N3 O3 S -","- C108 H92 N12 O12 S4 -","4","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.0951","0.0595","","","0.1341","0.1571","","","","","","1.037","","","","has coordinates,has disorder","237626","2020-10-21","18:00:00",""
"7237360","14.3135","0.0014","14.6015","0.0013","15.5923","0.0011","90","","101.462","0.007","90","","3193.8","0.5","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O S -","- C19 H15 N3 O S -","- C152 H120 N24 O8 S8 -","8","4","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.084","0.0549","","","0.1153","0.1347","","","","","","1.013","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237361","18.4571","0.0008","16.2012","0.0007","6.5052","0.0004","90","","90","","90","","1945.23","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H25 N3 O S -","- C23 H25 N3 O S -","- C92 H100 N12 O4 S4 -","4","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0601","0.0444","","","0.0998","0.1107","","","","","","1.015","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237362","9.1703","0.0008","19.85","0.003","18.7033","0.0018","90","","102.929","0.009","90","","3318.3","0.7","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O S -","- C20 H14 N4 O S -","- C160 H112 N32 O8 S8 -","8","2","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.0742","0.049","","","0.1139","0.1339","","","","","","1.028","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237363","10.2716","0.0009","10.9546","0.001","11.2649","0.001","99.583","0.008","111.659","0.008","113.273","0.009","1007.2","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N3 O S -","- C25 H19 N3 O S -","- C50 H38 N6 O2 S2 -","2","1","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.7107","MoKα","","0.0675","0.0452","","","0.1034","0.1211","","","","","","1.023","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237364","15.0345","0.0012","7.1821","0.0006","31.643","0.003","90","","93.706","0.009","90","","3409.6","0.5","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 O2 S -","- C20 H17 N3 O2 S -","- C160 H136 N24 O16 S8 -","8","2","","Peng, Zhixing; Wang, Zaibin; Huang, Zongwei; Liu, Shaojie; Lu, Ping; Wang, Yanguang","Expression of anti-Kasha's emission from amino benzothiadiazole and its utilization for fluorescent chemosensors and organic light emitting materials","Journal of Materials Chemistry C","2018","6","29","7864","","10.1039/C8TC02416B","","","0.71073","MoKα","","0.1532","0.1028","","","0.2657","0.3098","","","","","","1.04","","","","has coordinates","237626","2020-10-21","18:00:00",""
"7237365","8.0493","0.0003","8.0493","0.0003","22.26","0.001","90","","90","","120","","1249.03","0.09","179.98","0.1","179.98","0.1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C4 H10 N2 O6 Zn -","- C3.9999 H9.9993 N1.9998 O6 Zn -","- C23.9994 H59.9958 N11.9988 O36 Zn6 -","6","0.333333","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.021","0.0193","","","0.047","0.0477","","","","","","1.267","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7237366","8.029","0.002","8.027","0.002","8.722","0.003","62.81","0.03","63.22","0.03","59.99","0.03","414.6","0.3","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","- C8 H20 N4 O12 Zn2 -","1","1","","Sieradzki, Adam; Mączka, Mirosław; Simenas, Mantas; Zaręba, Jan K.; Gągor, Anna; Balciunas, Sergejus; Kinka, Martynas; Ciupa, Aneta; Nyk, Marcin; Samulionis, Vytautas; Banys, Juras; Paluch, Marian; Pawlus, Sebastian","On the origin of ferroelectric structural phases in perovskite-like metal‒organic formate","Journal of Materials Chemistry C","2018","6","35","9420","","10.1039/C8TC02421A","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1109","0.1152","","","","","","0.968","","","","has coordinates","237629","2020-10-21","18:00:00",""
"7237367","12.345","0.005","9.502","0.005","18.61","0.005","90","0.005","99.448","0.005","90","0.005","2153.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 N4 O4 Zn -","- C9 H5 N4 O4 Zn -","- C36 H20 N16 O16 Zn4 -","4","1","","Zhou, En-Long; Qin, Chao; Tian, Dan; Wang, Xin-Long; Yang, Bing-Xiao; Huang, Ling; Shao, Kui-Zhan; Su, Zhong-Min","A difunctional metal‒organic framework with Lewis basic sites demonstrating turn-off sensing of Cu2+ and sensitization of Ln3+","Journal of Materials Chemistry C","2018","6","29","7874","","10.1039/C8TC02425A","","","0.71069","MoKα","","0.0979","0.0806","","","0.2592","0.279","","","","","","1.098","","","","has coordinates","237630","2020-10-21","18:00:00",""
"7237368","15.923","0.003","20.416","0.004","24.5","0.005","90","","90","","90","","7965","3","190","1","190","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Cluster-1","","- C86 H72 N6 Nd2 O24 Zn2 -","- C86 H72 N6 Nd2 O24 Zn2 -","- C344 H288 N24 Nd8 O96 Zn8 -","4","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1211","0.0781","","","0.2313","0.2839","","","","","","1.097","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237369","18.0116","0.0004","22.1288","0.0005","19.8728","0.0003","90","","114.962","0.001","90","","7180.9","0.3","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-2","","- C118 H158 N4 Nd6 O63 Zn6 -","- C118 H158 N4 Nd6 O63 Zn6 -","- C236 H316 N8 Nd12 O126 Zn12 -","2","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1042","0.0953","","","0.2705","0.2868","","","","","","1.08","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237370","18.465","0.007","22.557","0.008","20.143","0.007","90","","115.879","0.006","90","","7549","5","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cluster-3","","- C103 H110 N4 O57.5 Sm6 Zn6 -","- C103 H110 N4 O57.5 Sm6 Zn6 -","- C206 H220 N8 O115 Sm12 Zn12 -","2","0.5","","Jiang, Dongmei; Yang, Xiaoping; Zheng, Xiaohui; Bo, Le; Zhu, Ting; Chen, Hongfen; Zhang, Lijie; Huang, Shaoming","Self-assembly of luminescent 12-metal Zn‒Ln planar nanoclusters with sensing properties towards nitro explosives","Journal of Materials Chemistry C","2018","6","31","8513","","10.1039/C8TC02426J","","","0.71073","MoKα","","0.1925","0.0994","","","0.2647","0.3509","","","","","","1.022","","","","has coordinates","237632","2020-10-21","18:00:00",""
"7237371","6.0315","0.0017","7.416","0.002","26.164","0.007","88.67","0.02","88.29","0.02","85.06","0.02","1165.2","0.6","102.2","","102.2","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H26 F20 N2 O10 -","- C54 H26 F20 N2 O10 -","- C54 H26 F20 N2 O10 -","1","0.5","","Lu, Bo; Zhang, Yujian; Yang, Xiaogang; Wang, Kai; Zou, Bo; Yan, Dongpeng","Piezochromic luminescence of AIE-active molecular co-crystals: tunable multiple hydrogen bonding and molecular packing","Journal of Materials Chemistry C","2018","6","36","9660","","10.1039/C8TC02444H","","","0.7107","MoKα","","0.0983","0.0544","","","0.0882","0.1127","","","","","","1.014","","","","has coordinates","237634","2020-10-21","18:00:00",""
"7237372","9.3317","0.0016","9.3436","0.0016","10.531","0.0018","63.94","0.003","77.306","0.003","80.095","0.003","801.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H20 F8 N2 O6 -","- C38 H20 F8 N2 O6 -","- C38 H20 F8 N2 O6 -","1","0.5","","Lu, Bo; Zhang, Yujian; Yang, Xiaogang; Wang, Kai; Zou, Bo; Yan, Dongpeng","Piezochromic luminescence of AIE-active molecular co-crystals: tunable multiple hydrogen bonding and molecular packing","Journal of Materials Chemistry C","2018","6","36","9660","","10.1039/C8TC02444H","","","0.71073","MoKα","","0.077","0.0456","","","0.1137","0.1379","","","","","","1.032","","","","has coordinates","237634","2020-10-21","18:00:00",""
"7237373","11.9322","0.0005","12.5611","0.0004","30.2148","0.0009","90","","90","","90","","4528.6","0.3","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H20 B2 N2 S2 -","- C28 H20 B2 N2 S2 -","- C224 H160 B16 N16 S16 -","8","2","","Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan","Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions","Journal of Materials Chemistry C","2018","6","39","10456","","10.1039/C8TC02449A","","","0.71073","MoKα","","0.0623","0.0468","","","0.1058","0.112","","","","","","1.045","","","","has coordinates","237636","2020-10-21","18:00:00",""
"7237374","7.816","0.004","12.15","0.005","12.764","0.006","91.877","0.009","92.37","0.02","91.526","0.014","1210","1","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 B2 N4 S3 -","- C28 H18 B2 N4 S3 -","- C56 H36 B4 N8 S6 -","2","1","","Han, Yi; Yuan, Wei; Wang, Hongyan; Li, Mengwei; Zhang, Wenqin; Chen, Yulan","Dual-responsive BN-embedded phenacenes featuring mechanochromic luminescence and ratiometric sensing of fluoride ions","Journal of Materials Chemistry C","2018","6","39","10456","","10.1039/C8TC02449A","","","0.71073","MoKα","","0.043","0.0341","","","0.0933","0.0978","","","","","","1.033","","","","has coordinates","237636","2020-10-21","18:00:00",""
"7237375","7.8392","0.0001","7.8392","0.0001","15.7523","0.0003","90","","90","","90","","968.03","0.03","130","2","130","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0398","0.0353","","","0.111","0.1165","","","","","","1.147","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237376","7.8468","0.0001","7.8468","0.0001","15.7718","0.0004","90","","90","","90","","971.11","0.03","160","2","160","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0441","0.0388","","","0.111","0.1199","","","","","","1.138","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237377","7.9148","0.0001","7.9148","0.0001","15.873","0.009","90","","90","","90","","994.3","0.6","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0729","0.0435","","","0.0758","0.0892","","","","","","1.157","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237378","7.6292","0.0001","7.6292","0.0001","15.259","0.006","90","","90","","90","","888.1","0.3","296","2","296","2","","","2010000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0606","0.0499","","","0.1112","0.1191","","","","","","1.15","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237379","7.7706","0.0003","7.7706","0.0003","15.666","0.012","90","","90","","90","","945.9","0.7","296","2","296","2","","","580000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.064","0.0474","","","0.0773","0.0865","","","","","","1.119","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237380","7.6937","0.0002","7.6937","0.0002","15.371","0.009","90","","90","","90","","909.9","0.5","296","2","296","2","","","1230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0526","0.041","","","0.0768","0.083","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237381","7.2305","0.0004","7.2305","0.0004","14.5","0.03","90","","90","","90","","758.1","1.6","296","2","296","2","","","9685000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1045","0.0767","","","0.1669","0.194","","","","","","1.226","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237382","7.319","0.0002","7.319","0.0002","14.595","0.013","90","","90","","90","","781.8","0.7","296","2","296","2","","","7850000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0691","0.0577","","","0.1382","0.1451","","","","","","1.139","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237383","7.1959","0.0005","7.1959","0.0005","14.39","0.03","90","","90","","90","","745.1","1.6","296","2","296","2","","","10665000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1003","0.0698","","","0.1664","0.1853","","","","","","1.187","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237384","7.8818","0.0001","7.8818","0.0001","15.8455","0.0004","90","","90","","90","","984.37","0.03","275","2","275","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0449","0.0361","","","0.0975","0.108","","","","","","1.075","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237385","7.8914","0.0001","7.8914","0.0001","15.8623","0.0003","90","","90","","90","","987.81","0.03","296","2","296","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0478","0.0333","","","0.0895","0.1002","","","","","","1.061","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237386","7.856","0.0001","7.856","0.0001","15.7916","0.0004","90","","90","","90","","974.61","0.03","190","2","190","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0428","0.0375","","","0.1086","0.1159","","","","","","1.132","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237387","7.865","0.0001","7.865","0.0001","15.8105","0.0004","90","","90","","90","","978.01","0.03","220","2","220","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0431","0.0367","","","0.1047","0.1126","","","","","","1.143","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237388","7.1293","0.0006","7.1293","0.0006","14.38","0.03","90","","90","","90","","730.9","1.5","296","2","296","2","","","11980000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1273","0.0865","","","0.1933","0.217","","","","","","1.177","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237389","7.4964","0.0002","7.4964","0.0002","15.034","0.008","90","","90","","90","","844.9","0.5","296","2","296","2","","","4035000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0619","0.0512","","","0.1145","0.1204","","","","","","1.247","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237390","7.5655","0.0001","7.5655","0.0001","15.147","0.006","90","","90","","90","","867","0.3","296","2","296","2","","","2770000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0605","0.0485","","","0.1097","0.1176","","","","","","1.231","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237391","7.1172","0.0007","7.1172","0.0007","14.3","0.03","90","","90","","90","","724.4","1.5","296","2","296","2","","","12675000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.1457","0.0822","","","0.2267","0.3053","","","","","","1.037","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237392","7.2677","0.0003","7.2677","0.0003","14.46","0.02","90","","90","","90","","763.8","1.1","296","2","296","2","","","9230000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0924","0.0726","","","0.1855","0.1986","","","","","","1.235","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237393","7.387","0.0001","7.387","0.0001","14.791","0.008","90","","90","","90","","807.1","0.4","296","2","296","2","","","6165000","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.41438","synchrotron","","0.0663","0.0543","","","0.1311","0.1376","","","","","","1.269","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237394","7.8745","0.0001","7.8745","0.0001","15.8305","0.0004","90","","90","","90","","981.61","0.03","250","2","250","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","pyrazinium tetrachloroaurate","pyrazinium tetrachloroaurate","","- C4 H5 Au Cl4 N2 -","- C4 H5 Au Cl4 N2 -","- C16 H20 Au4 Cl16 N8 -","4","0.25","","Paliwoda, Damian; Szafrański, Marek; Hanfland, Michael; Katrusiak, Andrzej","A giant 2-dimensional dielectric response in a compressed hydrogen-bonded hybrid organic‒inorganic salt","Journal of Materials Chemistry C","2018","6","28","7689","","10.1039/C8TC02464B","","","0.71073","MoKα","","0.0447","0.037","","","0.1026","0.1117","","","","","","1.11","","","","has coordinates","237638","2020-10-21","18:00:00",""
"7237395","10.3825","0.0008","11.223","0.0005","15.1415","0.0009","90","","90.205","0.006","90","","1764.32","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 N3 O12 Re3 -","- C7 H16 N3 O12 Re3 -","- C28 H64 N12 O48 Re12 -","4","1","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.0581","0.0506","","","0.1161","0.1212","","","","","","1.155","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237396","7.699","0.004","7.699","0.004","7.699","0.004","90","","90","","90","","456.4","0.4","403","2","403","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C7 N O12 Re3 -","- C7 N O12 Re3 -","- C7 N O12 Re3 -","1","0.0208333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.0531","0.0512","","","0.135","0.1362","","","","","","1.352","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237397","7.4699","0.0006","7.4699","0.0006","7.4699","0.0006","90","","90","","90","","416.82","0.06","408","2","408","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C7 H20 B3 F12 N3 -","- C9.1 B3 F12 N -","- C9.1 B3 F12 N -","1","0.0208333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.2701","0.2214","","","0.6111","0.6333","","","","","","2.454","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237398","10.213","0.002","10.213","0.002","53.387","0.009","90","","90","","120","","4822.5","1.6","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C7 H20 B3 F12 N3 -","- C7 H16 B3 F12 N3 -","- C84 H192 B36 F144 N36 -","12","0.333333","","Fan, Guang-Meng; Shi, Chao; Qiao, Liang; Li, Hao-Jie; Ye, Heng-Yun","Photoluminescence of Sn2±-I−-mixed molecular perovskites","Journal of Materials Chemistry C","2018","6","31","8349","","10.1039/C8TC02587H","","","0.71073","MoKα","","0.147","0.1254","","","0.3255","0.3425","","","","","","1.129","","","","has coordinates","237641","2020-10-21","18:00:00",""
"7237399","13.7631","0.0007","11.4154","0.0009","34.944","0.004","90","","90","","90","","5490.1","0.8","295.9","0.8","295.9","0.8","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmT","","- C36 H28 N4 -","- C36 H28 N4 -","- C288 H224 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine‒triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.0692","0.0438","","","0.1099","0.1273","","","","","","1.0184","","","","has coordinates","237644","2020-10-21","18:00:00",""
"7237400","17.1418","0.0011","8.1149","0.0007","45.495","0.005","90","","90","","90","","6328.5","1","294.17","0.1","294.17","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","AmmT","","- C42 H32 N4 -","- C42 H32 N4 -","- C336 H256 N32 -","8","1","","Jeong, Seongjin; Lee, Youngnam; Kim, Joon Ki; Jang, Du-Jeon; Hong, Jong-In","Non-doped thermally activated delayed fluorescent organic light-emitting diodes using an intra- and intermolecular exciplex system with a meta-linked acridine‒triazine conjugate","Journal of Materials Chemistry C","2018","6","34","9049","","10.1039/C8TC02590H","","x-ray","1.54184","CuKα","","0.1526","0.0772","","","0.1829","0.2467","","","","","","0.967","","","","has coordinates","237644","2020-10-21","18:00:00",""
"7237401","12.8855","0.0004","12.8855","0.0004","19.6018","0.001","90","","90","","90","","3254.6","0.2","298","2","298","2","","","","","","","","4","I 41","I 4bw","80","","","","- C18 H15 N5 S -","- C18 H15 N5 S -","- C144 H120 N40 S8 -","8","1","","Venkataramudu, Uppari; Sahoo, Chakradhar; Leelashree, Solaiappan; Venkatesh, Mottamchetty; Ganesh, Damarla; Naraharisetty, Sri Ram Gopal; Chaudhary, Anil Kumar; Srinath, Sanyadanam; Chandrasekar, Rajadurai","Terahertz radiation and second-harmonic generation from a single-component polar organic ferroelectric crystal","Journal of Materials Chemistry C","2018","6","35","9330","","10.1039/C8TC02638F","","","1.54184","CuKα","","0.0374","0.0348","","","0.0881","0.0909","","","","","","1.042","","","","has coordinates","237646","2020-10-21","18:00:00",""
"7237402","9.2899","0.0003","19.4917","0.0007","31.1683","0.0011","90","","90","","90","","5643.8","0.3","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12.5 F2 S -","- C18 H12 F2 S -","- C288 H192 F32 S16 -","16","2","","Wang, Leyu; Yu, Tao; Xie, Zongliang; Chen, Xiaojie; Yang, Zhan; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo","Design, synthesis and photochromism studies of thienyl containing triarylethylene derivatives and their applications in real-time photoresponsive surfaces","Journal of Materials Chemistry C","2018","6","32","8832","","10.1039/C8TC02698J","","x-ray","1.54184","CuKα","","0.0845","0.0652","","","0.2092","0.2803","","","","","","1.147","","","","has coordinates","237648","2020-10-21","18:00:00",""
"7237403","11.6109","0.0004","10.4279","0.0004","13.0037","0.0005","90","","95.052","0.001","90","","1568.34","0.1","199","2","119","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9ACA-TFP","9-acetylanthracene-tetrafluoroterephthalonitrile","","- C40 H24 F4 N2 O2 -","- C40 H24 F4 N2 O2 -","- C80 H48 F8 N4 O4 -","2","0.5","","Wang, Jing; Li, Aisen; Xu, Shuping; Li, Bao; Song, Chongping; Geng, Yijia; Chu, Ning; He, Jian; Xu, Weiqing","Tunable luminescence of a novel organic co-crystal based on intermolecular charge transfer under pressure","Journal of Materials Chemistry C","2018","6","33","8958","","10.1039/C8TC02748J","","","0.71073","MoKα","","0.1001","0.0539","","","0.1278","0.1539","","","","","","1.03","","","","has coordinates","237650","2020-10-21","18:00:00",""
"7237404","19.0281","0.0018","17.4257","0.0017","26.483","0.003","90","","108.859","0.002","90","","8309.8","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 N9 Nd O15 Zn2 -","- C72 H66 N9 Nd O15 Zn2 -","- C288 H264 N36 Nd4 O60 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Baoning; Liu, Lin; Li, Wentao; Zhang, Zhao; Lü, Xingqiang","Zn2Yb-Grafted and star-shaped metallopolymers for efficient near-infrared (NIR) polymer light-emitting diodes (PLEDs)","Journal of Materials Chemistry C","2018","6","33","8950","","10.1039/C8TC02776E","","","0.71073","MoKα","","0.197","0.0761","","","0.1845","0.2402","","","","","","0.873","","","","has coordinates","237652","2020-10-21","18:00:00",""
"7237405","14.0146","0.0002","7.1563","0.0001","16.2662","0.0002","90","","90","","90","","1631.38","0.04","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C16 H64 Bi4 Br24 N12 -","4","1","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0459","0.0396","","","0.1077","0.1121","","","","","","1.028","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7237406","13.8796","0.0009","7.367","0.0005","8.0696","0.0006","90","","90","","90","","825.12","0.1","345","2","345","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C8 H32 Bi2 Br12 N6 -","2","0.25","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0857","0.0694","","","0.2051","0.2241","","","","","","1.081","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7237407","31.7468","0.0014","15.6233","0.0007","19.5833","0.0009","90","","101.338","0.003","90","","9523.6","0.7","123","","123","","","","","","","","Murat Alkan","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Cu F6 N2 O2 P3 S -","- C48 H40 Cu F6 N2 O P3 S -","- C384 H320 Cu8 F48 N16 O8 P24 S8 -","8","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.1221","0.0716","","0.2423","0.1918","0.2406","","","","","","1.0159","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237408","10.7304","0.0008","43.541","0.003","9.6702","0.0007","90","","108.26","0.004","90","","4290.5","0.5","123","","123","","","","","","","","Murat Alkan","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H38 Cu F6 N2 O2 P3 -","- C47 H38 Cu F6 N2 O2 P3 -","- C188 H152 Cu4 F24 N8 O8 P12 -","4","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0977","0.0951","","0.2338","0.2331","0.2338","","","","","","1.0713","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237409","16.3593","0.001","20.1565","0.0012","26.5917","0.0017","90","","90","","90","","8768.5","0.9","123","","123","","","","","","","","Murat Alkan","7","P b c a","-P 2ac 2ab","61","","","","- C48 H40 Cu F6 N2 O2 P3 -","- C48 H40 Cu F6 N2 O2 P3 -","- C384 H320 Cu8 F48 N16 O16 P24 -","8","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0453","0.0397","","0.0991","0.0964","0.0991","","","","","","0.9818","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237410","10.8766","0.0006","15.2866","0.0009","18.4018","0.001","106.817","0.004","102.402","0.003","107.943","0.004","2626.6","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C51.5 H46 Cl Cu F6 N2 O2.5 P3 -","- C51.5 H46 Cl Cu F6 N2 O2.5 P3 -","- C103 H92 Cl2 Cu2 F12 N4 O5 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.1131","0.0874","","0.2367","0.218","0.2367","","","","","","1.1211","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237411","10.9194","0.0005","15.3624","0.0008","16.8151","0.0009","95.111","0.003","93.76","0.003","107.807","0.003","2662","0.2","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C57 H59 Cu F6 N2 O2.5 P3 S -","- C55 H54 Cu F6 N2 O2 P3 S -","- C110 H108 Cu2 F12 N4 O4 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0654","0.0597","","0.1481","0.1461","0.1479","","","","","","1.0908","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237412","9.9139","0.0009","14.2468","0.0013","15.7717","0.0014","82.112","0.003","84.629","0.003","71.123","0.003","2085","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C47 H38 Cu F6 N2 O P3 S -","- C47 H38 Cu F6 N2 O P3 S -","- C94 H76 Cu2 F12 N4 O2 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0454","0.0453","","0.0847","0.0847","0.0847","","","","","","0.9337","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237413","14.4382","0.0009","17.197","0.0011","21.5959","0.0014","107.797","0.003","104.175","0.003","94.745","0.003","4877.4","0.6","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C105.5 H83 Cl3 Cu2 F12 N4 O4 P6 -","- C104.5 H81 Cl Cu2 F12 N4 O4 P6 -","- C209 H162 Cl2 Cu4 F24 N8 O8 P12 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0582","0.0547","","0.1445","0.1435","0.1445","","","","","","0.9889","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237414","9.8131","0.0014","28.886","0.004","16.433","0.003","90","","103.04","0.006","90","","4538","1.2","123","","123","","","","","","","","Murat Alkan","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cu F6 N2 O P3 S -","- C52 H40 Cu F6 N2 O P3 S -","- C208 H160 Cu4 F24 N8 O4 P12 S4 -","4","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.0386","0.0377","","0.0861","0.0859","0.0861","","","","","","0.997","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237415","10.9025","0.0007","13.2292","0.0009","17.8354","0.0012","80.615","0.003","84.731","0.003","83.868","0.003","2516.2","0.3","123","","123","","","","","","","","Murat Alkan","9","P -1","-P 1","2","","","","- C55.5 H45 Cl Cu F6 N2 O P3 S -","- C55 H44 Cu F6 N2 O P3 S -","- C110 H88 Cu2 F12 N4 O2 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0525","0.047","","0.1258","0.1233","0.1258","","","","","","1.0152","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237416","10.9394","0.0009","15.1458","0.0011","18.178","0.0014","109.391","0.004","98.101","0.004","108.096","0.004","2598.5","0.4","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C53 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C53 H49 Cl2 Cu F6 N2 O2.5 P3 -","- C106 H98 Cl4 Cu2 F12 N4 O5 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.54178","CuKα","","0.087","0.0789","","0.206","0.202","0.2059","","","","","","1.0785","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237417","10.9688","0.0006","15.3886","0.0008","18.2399","0.001","110.3","0.0017","97.3701","0.0019","108.602","0.0018","2636","0.3","123","","123","","","","","","","","Murat Alkan","9","P -1","-P 1","2","","","","- C52.5 H48 Cl Cu F6 N2 O1.5 P3 S -","- C52.5 H48 Cl Cu F6 N2 O1.5 P3 S -","- C105 H96 Cl2 Cu2 F12 N4 O3 P6 S2 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0634","0.0613","","0.1727","0.1715","0.1727","","","","","","0.981","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237418","13.3823","0.0008","14.0597","0.0008","17.5669","0.001","103.548","0.003","112.186","0.003","98.856","0.003","2865.4","0.3","123","","123","","","","","","","","Murat Alkan","8","P -1","-P 1","2","","","","- C58 H50 Cl6 Cu F6 N2 O2 P3 -","- C58 H50 Cl6 Cu F6 N2 O2 P3 -","- C116 H100 Cl12 Cu2 F12 N4 O4 P6 -","2","1","","Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E.","[Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells","Journal of Materials Chemistry C","2018","6","31","8460","","10.1039/C8TC02882F","","","1.5418","CuKα","","0.0771","0.0697","","0.1855","0.1821","0.1855","","","","","","1.0491","","","","has coordinates","237655","2020-10-21","18:00:00",""
"7237419","10.8061","0.0004","8.7128","0.0003","11.6109","0.0004","90","","90.422","0.003","90","","1093.15","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F5 N O -","- C11 H8 F5 N O -","- C44 H32 F20 N4 O4 -","4","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0355","0.0323","","","0.0839","0.086","","","","","","1.05","","","","has coordinates","237657","2020-10-21","18:00:00",""
"7237420","16.3067","0.0004","18.7491","0.0004","19.7051","0.0005","90","","108.847","0.003","90","","5701.5","0.3","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 F Ir N3 O -","- C37 H27 F Ir N3 O -","- C296 H216 F8 Ir8 N24 O8 -","8","2","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0668","0.0465","","","0.0941","0.1022","","","","","","1.05","","","","has coordinates,has disorder","237657","2020-10-21","18:00:00",""
"7237421","27.6629","0.001","9.1355","0.0002","29.0965","0.0011","90","","117.344","0.005","90","","6531.5","0.5","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H29 F3 Ir N3 O1.5 -","- C38.5 H29 F3 Ir N3 O1.5 -","- C308 H232 F24 Ir8 N24 O12 -","8","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0411","0.0346","","","0.0998","0.1047","","","","","","1.07","","","","has coordinates,has disorder","237657","2020-10-21","18:00:00",""
"7237422","16.4734","0.0006","12.7322","0.0005","31.2845","0.0011","90","","99.973","0.003","90","","6462.5","0.4","100","1","100","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C40 H30 F4 Ir N3 O3 -","- C40 H30 F4 Ir N3 O3 -","- C320 H240 F32 Ir8 N24 O24 -","8","1","","Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw","Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes","Journal of Materials Chemistry C","2018","6","32","8688","","10.1039/C8TC02890G","","x-ray","0.71073","MoKα","","0.0332","0.0264","","","0.0681","0.0722","","","","","","1.008","","","","has coordinates","237657","2020-10-21","18:00:00",""
"7237423","10.9781","0.001","14.0982","0.0011","16.9572","0.0013","105.647","0.007","108.8","0.008","100.832","0.007","2281.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N12 O16 P4 Zn3 -","- C40 H36 N12 O16 P4 Zn3 -","- C80 H72 N24 O32 P8 Zn6 -","2","1","","Ma, Yu-Juan; Han, Song-De; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","An inorganic‒organic hybrid framework from the assembly of an electron-rich diphosphonate and electron-deficient tripyridyl moiety","Journal of Materials Chemistry C","2018","6","35","9341","","10.1039/C8TC02903B","","","0.71073","MoKα","","0.0874","0.0523","","","0.1108","0.1261","","","","","","1.002","","","","has coordinates","237659","2020-10-21","18:00:00",""
"7237424","10.9701","0.0007","14.1004","0.0006","16.9569","0.0008","105.651","0.004","108.779","0.005","100.702","0.004","2281.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 N12 O16 P4 Zn3 -","- C40 H36 N12 O16 P4 Zn3 -","- C80 H72 N24 O32 P8 Zn6 -","2","1","","Ma, Yu-Juan; Han, Song-De; Pan, Jie; Mu, Ying; Li, Jin-Hua; Wang, Guo-Ming","An inorganic‒organic hybrid framework from the assembly of an electron-rich diphosphonate and electron-deficient tripyridyl moiety","Journal of Materials Chemistry C","2018","6","35","9341","","10.1039/C8TC02903B","","","0.71073","MoKα","","0.0655","0.0411","","","0.1003","0.1092","","","","","","1.028","","","","has coordinates","237661","2020-10-21","18:00:00",""
"7237425","13.226","0.004","6.747","0.002","10.358","0.003","90","","94.474","0.004","90","","921.5","0.5","296","1","296","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,2*-Bifuran-3,3*-dicarboxylic acid","","","- C10 H6 O6 -","- C10 H6 O6 -","- C40 H24 O24 -","4","0.5","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.051","0.0493","","","0.1216","0.123","","","","","","1.181","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237426","19.822","0.003","7.252","0.001","21.178","0.003","90","","90","","90","","3044.3","0.8","292","1","292","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C128 H128 Br8 N8 O32 -","8","1","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0561","0.035","","","0.09","0.101","","","","","","1.012","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237427","16.043","0.005","9.527","0.003","39.119","0.011","90","","95.887","0.005","90","","5947","3","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H33 Cl N2 O8 -","- C32.5 H33 Cl N2 O8 -","- C260 H264 Cl8 N16 O64 -","8","2","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.138","0.0949","","","0.194","0.2145","","","","","","1.134","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237428","9.814","0.002","18.944","0.004","8.825","0.002","90","","92.819","0.004","90","","1638.7","0.6","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,2*-Bifuran-3,3*dicarboxylic anhydride","","","- C10 H4 O5 -","- C10 H4 O5 -","- C80 H32 O40 -","8","2","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0795","0.0758","","","0.1485","0.1504","","","","","","1.306","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237429","12.4217","0.0017","12.8676","0.0017","13.2285","0.0018","91.138","0.002","92.183","0.002","94.864","0.002","2104.7","0.5","173","1","173","1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C96 H102 N6 O24 -","6","3","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0616","0.0536","","","0.1403","0.1526","","","","","","1.067","","","","has coordinates","237663","2020-10-21","18:00:00",""
"7237430","8.962","0.001","22.105","0.004","8.691","0.001","90","","104.837","0.003","90","","1664.3","0.4","292","1","292","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br2 N O4 -","- C16 H15 Br2 N O4 -","- C64 H60 Br8 N4 O16 -","4","1","","Mulay, Sandip V.; Bogoslavky, Benny; Galanti, Idan; Galun, Ehud; Gidron, Ori","Bifuran-imide: a stable furan building unit for organic electronics","Journal of Materials Chemistry C","2018","6","44","11951","","10.1039/C8TC02908C","","","0.71073","MoKα","","0.0494","0.0334","","","0.0802","0.0849","","","","","","1.03","","","","has coordinates,has disorder","237663","2020-10-21","18:00:00",""
"7237431","10.1937","0.0012","24.9479","0.0016","7.566","0.002","90","","119.872","0.017","90","","1668.5","0.6","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","EE","","- C20 H16 B N O2 -","- C20 H16 B N O2 -","- C80 H64 B4 N4 O8 -","4","1","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.0707","0.0504","","","0.1122","0.1219","","","","","","1.036","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237432","9.833","0.004","35.533","0.002","5.6192","0.0019","90","","102.816","0.006","90","","1914.4","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","DME","","- C23 H22 B N O2 -","- C23 H22 B N O2 -","- C92 H88 B4 N4 O8 -","4","1","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1726","0.1014","","","0.176","0.2032","","","","","","1.013","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237433","8.113","0.003","16.548","0.006","25.312","0.01","90","","91.568","0.009","90","","3397","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PE","","- C21 H18 B N O2 -","- C21 H18 B N O2 -","- C168 H144 B8 N8 O16 -","8","2","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1132","0.0554","","","0.1173","0.1358","","","","","","1.001","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237434","8.0038","0.0019","17.3205","0.0012","26.7265","0.001","101.028","0.011","91.667","0.01","100.889","0.002","3563","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","IPE","","- C21 H17 B N O2 -","- C21 H17 B N O2 -","- C168 H136 B8 N8 O16 -","8","4","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.2327","0.0741","","","0.132","0.1596","","","","","","1.015","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237435","24.979","0.002","8.94","0.001","19.1","0.0005","90","","104.664","0.012","90","","4126.3","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","TME","","- C24 H24 B N O2 -","- C24 H24 B N O2 -","- C192 H192 B8 N8 O16 -","8","2","","Zhang, Kai; Sun, Qikun; Tang, Liangliang; Wang, Yanhui; Fan, Xiaojing; Liu, Linxi; Xue, Shanfeng; Yang, Wenjun","Cyclic boron esterification: screening organic room temperature phosphorescent and mechanoluminescent materials","Journal of Materials Chemistry C","2018","6","32","8733","","10.1039/C8TC02938E","","","0.71073","MoKα","","0.1477","0.0719","","","0.1607","0.1866","","","","","","1.016","","","","has coordinates","237664","2020-10-21","18:00:00",""
"7237436","7.2606","0.0004","13.8198","0.0007","17.5138","0.0009","105.274","0.0017","94.0471","0.0019","103.967","0.0018","1628.15","0.15","120","","120","","","","","","","","","6","P -1","-P 1","2","","2,8-Bis(phenothiazin-10-yl)dibenzo[b,d]thiophene, deuterochloroform monosolvate","","- C37 H22 Cl3 D N2 S3 -","- C36.97 H22 Cl2.91 D0.97 N2 S3 -","- C73.94 H44 Cl5.82 D1.94 N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","0.71073","MoKα","","0.0771","0.0539","","","0.131","0.1432","","","","","","1.021","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237437","11.7234","0.0004","14.3733","0.0004","18.1421","0.0006","90","","101.501","0.002","90","","2995.63","0.17","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,8-bis(1-methyl-10H-phenothiazin-10-yl)dibenzo[b,d]thiophene","","- C38 H26 N2 S3 -","- C38 H26 N2 S3 -","- C152 H104 N8 S12 -","4","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.0962","0.0556","","","0.102","0.1131","","","","","","1.077","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237438","27.5841","0.0007","14.4337","0.0004","8.0484","0.0002","90","","90.3137","0.0014","90","","3204.35","0.14","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N2 S3 -","- C42 H34 N2 S3 -","- C168 H136 N8 S12 -","4","0.5","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.0497","0.0348","","","0.0803","0.0861","","","","","","1.009","","","","has coordinates","237666","2020-10-21","18:00:00",""
"7237439","8.6239","0.0003","13.7187","0.0005","14.3075","0.0006","66.09","0.002","74.501","0.003","73.864","0.003","1463.27","0.1","120","","120","","","","","","","","","6","P -1","-P 1","2","","2,8-Bis(phenothiazin-10-yl)dibenzo[b,d]thiophene, deuterochloroform hemisolvate","","- C36.5 H22 Cl1.5 D0.5 N2 S3 -","- C36.5 H22 Cl1.5 D0.5 N2 S3 -","- C73 H44 Cl3 D N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.1145","0.0594","","","0.1363","0.1661","","","","","","1.034","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237440","7.9477","0.0004","11.9549","0.0007","15.9521","0.0009","91.458","0.002","95.161","0.002","92.542","0.002","1507.38","0.14","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 N2 S3 -","- C38 H26 N2 S3 -","- C76 H52 N4 S6 -","2","1","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","0.71073","MoKα","","0.0703","0.0469","","","0.109","0.1176","","","","","","1.032","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237441","11.0581","0.0004","15.5487","0.0006","20.2305","0.0008","93.7823","0.0019","97.0827","0.0019","93.6859","0.0017","3435.1","0.2","120","2","120","","","","","","","","","5","P -1","-P 1","2","","2,8-bis(1-methyl-10H-phenothiazin-10-yl)dibenzo[b,d]thiophene, chloroform solvate","","- C39 H27 Cl3 N2 S3 -","- C39 H27 Cl3 N2 S3 -","- C156 H108 Cl12 N8 S12 -","4","2","","Huang, Rongjuan; Ward, Jonathan S.; Kukhta, Nadzeya A.; Avó, João; Gibson, Jamie; Penfold, Thomas; Lima, João C.; Batsanov, Andrei S.; Berberan-Santos, Mário N.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores","Journal of Materials Chemistry C","2018","6","34","9238","","10.1039/C8TC02987C","","x-ray","1.54184","CuKα","","0.1376","0.079","","","0.1654","0.1934","","","","","","1.025","","","","has coordinates,has disorder","237666","2020-10-21","18:00:00",""
"7237442","22.2948","0.0013","11.2922","0.0005","16.7094","0.0007","90","","91.191","0.004","90","","4205.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cl Cu N4 O12 -","- C44 H32 Cl Cu N4 O12 -","- C176 H128 Cl4 Cu4 N16 O48 -","4","0.5","","Cretu, C.; Andelescu, A. A.; Candreva, A.; Crispini, A.; Szerb, E. I.; La Deda, M.","Bisubstituted-biquinoline Cu(i) complexes: synthesis, mesomorphism and photophysical studies in solution and condensed states","Journal of Materials Chemistry C","2018","6","37","10073","","10.1039/C8TC02999G","","","0.71073","MoKα","","0.0694","0.0438","","","0.1054","0.1194","","","","","","1.007","","","","has coordinates,has disorder","237668","2020-10-21","18:00:00",""
"7237443","20.194","0.017","31.65","0.03","33.78","0.03","90","","90","","90","","21590","3","110","2","110","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal–organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","0.71073","MoKα","","0.2322","0.0648","","","0.1358","0.17","","","","","","0.779","","","","has coordinates","288245","2023-12-12","10:28:29",""
"7237444","17.723","0.005","32.705","0.003","34.67","0.004","90","","90","","90","","20096","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O24.5 Zr3 -","- C40 H21 N O24.5 Zr3 -","- C320 H168 N8 O196 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.2921","0.1339","","","0.2853","0.3539","","","","","","1.019","","","","has coordinates,has disorder","237670","2020-10-21","18:00:00",""
"7237445","22.249","0.0006","31.0425","0.0008","33.0217","0.0007","90","","90","","90","","22806.9","1","100","0.1","100","0.1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","x-ray","1.54184","CuKα","","0.1044","0.078","","","0.2297","0.2549","","","","","","1.002","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237446","24.627","0.0008","36.7534","0.001","39.9531","0.0007","90","","90","","90","","36162.6","1.7","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C56 H27 N O16 Zr3 -","- C56 H27 N O16 Zr3 -","- C448 H216 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.1407","0.0728","","","0.2055","0.2456","","","","","","0.931","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237447","21.5401","0.0006","33.1625","0.0006","31.9996","0.0009","90","","90","","90","","22858.1","1","100.01","0.1","100.01","0.1","","","","","","","","5","I m m m","-I 2 2","71","","","","- C41 H23 N O16 Zr3 -","- C41 H23 N O16 Zr3 -","- C328 H184 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","x-ray","1.54184","CuKα","","0.0681","0.0466","","","0.1162","0.1229","","","","","","0.848","","","","has coordinates,has disorder","237670","2020-10-21","18:00:00",""
"7237448","17.723","0.005","32.705","0.003","34.67","0.004","90","","90","","90","","20096","6","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C40 H21 N O16 Zr3 -","- C40 H21 N O16 Zr3 -","- C320 H168 N8 O128 Zr24 -","8","0.5","","Lv, Xiu-Liang; Xie, Lin-Hua; Wang, Bin; Zhao, Minjian; Cui, Yuanjing; Li, Jian-Rong","Flexible metal‒organic frameworks for the wavelength-based luminescence sensing of aqueous pH","Journal of Materials Chemistry C","2018","6","39","10628","","10.1039/C8TC03036G","","","1.54178","CuKα","","0.2695","0.1153","","","0.2145","0.2653","","","","","","1.052","","","","has coordinates","237670","2020-10-21","18:00:00",""
"7237449","6.2986","0.0001","9.3042","0.0002","18.9025","0.0004","83.2337","0.0007","85.7251","0.0007","86.4","0.0008","1095.34","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H68 N2 O10 S2 -","- C42 H68 N2 O10 S2 -","- C42 H68 N2 O10 S2 -","1","0.5","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Anion-induced ionic liquid crystals of diphenylviologens","Journal of Materials Chemistry C","2018","6","35","9430","","10.1039/C8TC03090A","","","1.54178","CuKα","","0.0431","0.0395","","","0.1063","0.1094","","","","","","1.024","","","","has coordinates,has disorder","237672","2020-10-21","18:00:00",""
"7237450","7.7273","0.0002","10.0812","0.0003","30.1503","0.0009","98.0699","0.001","93.6023","0.0011","93.0372","0.0011","2316.33","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H67 B2 F8 N2 O2.5 -","- C46 H67 B2 F8 N2 O2.5 -","- C92 H134 B4 F16 N4 O5 -","2","1","","Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.","Anion-induced ionic liquid crystals of diphenylviologens","Journal of Materials Chemistry C","2018","6","35","9430","","10.1039/C8TC03090A","","","1.54178","CuKα","","0.0845","0.0692","","","0.1827","0.196","","","","","","1.041","","","","has coordinates,has disorder","237672","2020-10-21","18:00:00",""
"7237451","8.83","0.0007","22.2396","0.0016","24.8071","0.0019","90","","96.111","0.007","90","","4843.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H65 B F2 N2 S4 -","- C56 H65 B F2 N2 S4 -","- C224 H260 B4 F8 N8 S16 -","4","0.5","","Huaulmé, Quentin; Sutter, Alexandra; Fall, Sadiara; Jacquemin, Denis; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles; Leclerc, Nicolas","Versatile synthesis of α-fused BODIPY displaying intense absorption in the NIR region and high electron affinity","Journal of Materials Chemistry C","2018","6","37","9925","","10.1039/C8TC03138J","","","0.71075","MoKα","","0.0458","0.0363","","","0.095","0.0999","","","","","","1.038","","","","has coordinates,has disorder","237674","2020-10-21","18:00:00",""
"7237452","12.4977","0.0009","13.21","0.0009","17.249","0.0012","86.049","0.005","71.684","0.005","65.153","0.005","2446.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H65 B F2 N2 S4 -","- C56 H65 B F2 N2 S4 -","- C112 H130 B2 F4 N4 S8 -","2","1","","Huaulmé, Quentin; Sutter, Alexandra; Fall, Sadiara; Jacquemin, Denis; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles; Leclerc, Nicolas","Versatile synthesis of α-fused BODIPY displaying intense absorption in the NIR region and high electron affinity","Journal of Materials Chemistry C","2018","6","37","9925","","10.1039/C8TC03138J","","","0.71075","MoKα","","0.0414","0.0346","","","0.0825","0.0872","","","","","","1.04","","","","has coordinates","237674","2020-10-21","18:00:00",""
"7237453","24.28","0.002","7.813","0.0005","8.0236","0.0006","90","","98.476","0.003","90","","1505.45","0.19","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C6 H18 Br2.6 Cl1.4 N2 Pb -","- C24 H72 Br10.4 Cl5.6 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0803","0.073","","","0.2238","0.2326","","","","","","1.074","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237454","24.3453","0.0017","7.8535","0.0003","8.1277","0.0005","90","","98.776","0.006","90","","1535.79","0.16","100","0.2","100","0.2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C6 H17 Br3.4 Cl0.6 N2 Pb -","- C24 H68 Br13.6 Cl2.4 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.068","0.0579","","","0.1512","0.1658","","","","","","1.054","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237455","24.3895","0.001","7.8879","0.0003","8.2067","0.0003","90","","98.966","0.002","90","","1559.53","0.1","100","2","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C6 H18 Br3.8 Cl0.2 N2 Pb -","- C24 H72 Br15.2 Cl0.8 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0458","0.0408","","","0.1197","0.1245","","","","","","1.073","","","","has coordinates","237676","2020-10-21","18:00:00",""
"7237456","23.9782","0.0013","7.609","0.0004","7.8269","0.0005","90","","97.496","0.005","90","","1415.81","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H18 Cl4 N2 Pb -","- C6 H18 Cl4 N2 Pb -","- C24 H72 Cl16 N8 Pb4 -","4","1","","Wang, Sasa; Yao, Yunpeng; Wu, Zhenyue; Peng, Yu; Li, Lina; Luo, Junhua","Realization of “warm” white light via halide substitution in polar two-dimensional hybrid perovskites (2meptH2)PbClxBr4−x","Journal of Materials Chemistry C","2018","6","45","12267","","10.1039/C8TC03167C","","","0.71073","MoKα","","0.0315","0.02","","","0.0361","0.0409","","","","","","1.039","","","","has coordinates","237678","2020-10-21","18:00:00",""
"7237459","19.2078","0.0018","5.731","0.003","19.5573","0.0014","90","","113.257","0.009","90","","1977.9","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C104 H88 N8 -","8","2","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.1685","0.0648","","","0.1303","0.1559","","","","","","0.967","","","","has coordinates","237680","2020-10-21","18:00:00",""
"7237460","5.455","0.004","12.3116","0.0019","17.4777","0.0013","90","","97.756","0.014","90","","1163.1","0.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C3CZ","","","- C15 H15 N -","- C15 H15 N -","- C60 H60 N4 -","4","1","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.0603","0.0399","","","0.0892","0.0957","","","","","","1.095","","","","has coordinates","237680","2020-10-21","18:00:00",""
"7237461","15.959","0.002","7.57","0.001","22.195","0.001","90","","90","","90","","2681.4","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N -","- C17 H19 N -","- C136 H152 N8 -","8","1","","Zhang, Zhenzhen; Tang, Liangliang; Fan, Xiaojing; Wang, Yanhui; Zhang, Kai; Sun, Qikun; Zhang, Haichang; Xue, Shanfeng; Yang, Wenjun","N-Alkylcarbazoles: homolog manipulating long-lived room-temperature phosphorescence","Journal of Materials Chemistry C","2018","6","33","8984","","10.1039/C8TC03228A","","","0.71073","MoKα","","0.1086","0.0609","","","0.1412","0.1649","","","","","","0.971","","","","has coordinates","237680","2020-10-21","18:00:00",""
"7237462","15.977","0.004","20.66","0.006","21.585","0.006","87.716","0.008","78.525","0.007","69.014","0.005","6515","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C110 H96 Ag3 Cl3 N2 O8 P8 Pt -","- C110 H96 Ag3 Cl3 N2 O8 P8 Pt -","- C220 H192 Ag6 Cl6 N4 O16 P16 Pt2 -","2","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.0607","0.0466","","","0.1117","0.1172","","","","","","0.942","","","","has coordinates,has disorder","237682","2020-10-21","18:00:00",""
"7237463","16.1494","0.0005","16.6691","0.0004","17.1465","0.0005","89.757","0.002","84.078","0.002","64.064","0.002","4124.4","0.2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C164 H106 Au2 B2 Cl6 F60 N0 P8 Pt -","- C164 H106 Au2 B2 Cl6 F60 P8 Pt -","- C164 H106 Au2 B2 Cl6 F60 P8 Pt -","1","0.5","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","1.54178","CuKα","","0.0522","0.0495","","","0.1343","0.1371","","","","","","1.042","","","","has coordinates,has disorder","237682","2020-10-21","18:00:00",""
"7237464","19.075","0.004","20.069","0.004","20.257","0.004","100.71","0.03","96.56","0.03","116.03","0.03","6676","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H96 Au3 Cl3 N2 O8 P8 Pt -","- C118 H96 Au3 Cl3 N2 O8 P8 Pt -","- C236 H192 Au6 Cl6 N4 O16 P16 Pt2 -","2","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.1165","0.0902","","","0.2027","0.2152","","","","","","0.928","","","","has coordinates","237682","2020-10-21","18:00:00",""
"7237465","19.1023","0.0004","21.5915","0.0005","27.356","0.0006","90","","109.887","0.001","90","","10610.1","0.4","110","2","110","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C202 H152 Ag2 B2 Cl0 F48 O0 P10 Pt -","- C202 H152 Ag2 B2 F48 P10 Pt -","- C404 H304 Ag4 B4 F96 P20 Pt2 -","2","0.5","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","Using phosphorescent PtAu3 clusters for superior solution-processable organic light emitting diodes with very small efficiency roll-off","Journal of Materials Chemistry C","2018","6","33","8966","","10.1039/C8TC03270J","","","0.71073","MoKα","","0.0856","0.0638","","","0.1857","0.2033","","","","","","1.087","","","","has coordinates","237682","2020-10-21","18:00:00",""
"7237466","15.987","0.003","11.2031","0.0019","11.3627","0.0017","90","","100.358","0.005","90","","2001.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TPA-BT-CN","TPA-BT-CN","","- C25 H16 N4 S -","- C25 H16 N4 S -","- C100 H64 N16 S4 -","4","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Li, Si-Hua; Dong, Zhi-Liang; Fung, Man-Keung; Jiang, Zuo-Quan; Liao, Liang-Sheng","Thermally activated delayed fluorescence sensitizer for D‒A‒A type emitters with orange-red light emission","Journal of Materials Chemistry C","2018","6","37","10030","","10.1039/C8TC03287D","","","0.71073","MoKα","","0.0749","0.0454","","","0.1251","0.141","","","","","","1.011","","","","has coordinates","237684","2020-10-21","18:00:00",""
"7237467","36.066","0.011","7.737","0.002","16.095","0.004","90","","91.584","0.009","90","","4489","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","ACR-BT-CN","ACR-BT-CN","","- C28 H20 N4 S -","- C28 H20 N4 S -","- C224 H160 N32 S8 -","8","1","","Wang, Ya-Kun; Huang, Chen-Chao; Kumar, Sarvendra; Li, Si-Hua; Dong, Zhi-Liang; Fung, Man-Keung; Jiang, Zuo-Quan; Liao, Liang-Sheng","Thermally activated delayed fluorescence sensitizer for D‒A‒A type emitters with orange-red light emission","Journal of Materials Chemistry C","2018","6","37","10030","","10.1039/C8TC03287D","","","0.71073","MoKα","","0.1278","0.0615","","","0.1402","0.165","","","","","","1.02","","","","has coordinates","237684","2020-10-21","18:00:00",""
"7237468","25.456","0.005","12.88","0.003","17.483","0.004","90","","111.56","0.03","90","","5331","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.64 H1.89 N0.38 O0.08 -","- C2.64151 H1.88679 N0.377358 O0.0754717 -","- C280 H200 N40 O8 -","106","13.25","","Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei","Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence","Journal of Materials Chemistry C","2018","6","38","10179","","10.1039/C8TC03297A","","","0.71073","MoKα","","0.0684","0.0502","","","0.1184","0.1265","","","","","","1.06","","","","has coordinates","237686","2020-10-21","18:00:00",""
"7237469","14.9615","0.0014","14.962","","21.315","0.0019","90","","90","","120","","4132.2","0.5","298","2","298.32","","","","","","","","","4","P 1","P 1","1","","","","- C35 H25 N5 O -","- C35 H25 N5 O -","- C210 H150 N30 O6 -","6","6","","Ma, Chaoqun; Ma, Huili; Ling, Kun; Zheng, Ruilin; Gu, Mingxing; Song, Lulu; An, Zhongfu; Shi, Huifang; Huang, Wei","Insight into chirality on molecular stacking for tunable ultralong organic phosphorescence","Journal of Materials Chemistry C","2018","6","38","10179","","10.1039/C8TC03297A","","","0.71073","MoKα","","0.0881","0.0513","","","0.0985","0.1104","","","","","","1.079","","","","has coordinates","237686","2020-10-21","18:00:00",""
"7237470","24.6316","0.0014","5.6515","0.0003","24.8995","0.0014","90","","114.469","0.001","90","","3154.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl2 N4 O3 Pt -","- C28 H40 Cl2 N4 O3 Pt -","- C112 H160 Cl8 N16 O12 Pt4 -","4","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer; Lodeiro, Carlos","Multifunctional Pt(ii) metallomesogens exhibiting luminescence and proton conductivity in the mesophase near room temperature","Journal of Materials Chemistry C","2018","6","36","9723","","10.1039/C8TC03308K","","","0.71073","MoKα","","0.0627","0.041","","","0.1072","0.1228","","","","","","0.994","","","","has coordinates","237688","2020-10-21","18:00:00",""
"7237474","11.2803","0.0001","14.5794","0.0002","22.9364","0.0002","90","","97.579","0.001","90","","3739.17","0.07","100","2","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 N4 O2 -","- C50 H40 N4 O2 -","- C200 H160 N16 O8 -","4","0.5","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","1.54184","CuKα","","0.0445","0.0441","","","0.1053","0.1056","","","","","","1.056","","","","has coordinates","237691","2020-10-21","18:00:00",""
"7237475","25.514","0.002","9.0508","0.0003","19.0317","0.0016","90","","136.902","0.016","90","","3002.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 N4 O2 -","- C44 H26 N4 O2 -","- C176 H104 N16 O8 -","4","0.5","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","0.71075","MoKα","","0.0438","0.0384","","","0.0949","0.0978","","","","","","1.053","","","","has coordinates","237691","2020-10-21","18:00:00",""
"7237476","14.2418","0.0002","14.2451","0.0002","22.5117","0.0002","88.052","0.001","92.004","0.001","101.825","0.001","4465.74","0.1","100","2","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C33 H20 N2 O -","- C33 H20 N2 O -","- C264 H160 N16 O8 -","8","4","","Klimash, Anastasia; Pander, Piotr; Klooster, Wim T.; Coles, Simon J.; Data, Przemyslaw; Dias, Fernando B.; Skabara, Peter J.","Intermolecular interactions in molecular crystals and their effect on thermally activated delayed fluorescence of helicene-based emitters","Journal of Materials Chemistry C","2018","6","39","10557","","10.1039/C8TC03390K","","x-ray","1.54184","CuKα","","0.0723","0.0714","","","0.1941","0.1956","","","","","","1.039","","","","has coordinates","237691","2020-10-21","18:00:00",""
"7237477","10.767","0.002","27.035","0.005","12.935","0.003","90","","99.48","0.03","90","","3713.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Ir N3 O5 S2 -","- C44 H32 Ir N3 O5 S2 -","- C176 H128 Ir4 N12 O20 S8 -","4","1","","Fu, Guorui; Zheng, Hao; He, Yani; Li, Wentao; Lü, Xingqiang; He, Hongshan","Efficient near-infrared (NIR) polymer light-emitting diodes (PLEDs) based on heteroleptic iridium(iii) complexes with post-modification effects of intramolecular hydrogen bonding or BF2-chelation","Journal of Materials Chemistry C","2018","6","39","10589","","10.1039/C8TC03432J","","","0.71073","MoKα","","0.0553","0.0369","","","0.0774","0.0831","","","","","","1.099","","","","has coordinates","237692","2020-10-21","18:00:00",""
"7237478","3.8357","0.0009","21.751","0.005","18.396","0.005","90","","92.713","0.004","90","","1533.1","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4?-p-fluorophenyl-2,2?:6?,2??-terpyridine","","- C21 H14 F N3 -","- C21 H14 F N3 -","- C84 H56 F4 N12 -","4","1","","Singha Mahapatra, Tufan; Singh, Harwinder; Maity, Arunava; Dey, Ananta; Pramanik, Sumit Kumar; Suresh, Eringathodi; Das, Amitava","White-light-emitting lanthanide and lanthanide-iridium doped supramolecular gels: modular luminescence and stimuli-responsive behaviour","Journal of Materials Chemistry C","2018","6","36","9756","","10.1039/C8TC03487G","","","0.71073","MoKα","","0.0972","0.0775","","","0.147","0.1546","","","","","","1.2","","","","has coordinates","237693","2020-10-21","18:00:00",""
"7237479","11.9475","0.0007","7.2805","0.0004","7.6597","0.0005","90","","108.539","0.002","90","","631.7","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C12 H32 Cd2 Cl8 N4 -","2","0.5","","Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua","Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite","Journal of Materials Chemistry C","2018","6","38","10327","","10.1039/C8TC03517B","","","0.71073","MoKα","","0.0383","0.037","","","0.0971","0.1074","","","","","","1.197","","","","has coordinates","237695","2020-10-21","18:00:00",""
"7237480","7.5746","0.0007","22.852","0.002","7.5728","0.0006","90","","90","","90","","1310.8","0.2","280","2","280","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H16 Cd Cl4 N2 -","- C6 H16 Cd Cl4 N2 -","- C24 H64 Cd4 Cl16 N8 -","4","0.25","","Han, Shiguo; Liu, Xitao; Zhang, Jing; Ji, Chengmin; Wu, Zhenyue; Tao, Kewen; Wang, Yuyin; Sun, Zhihua; Luo, Junhua","Dielectric phase transition triggered by the order‒disorder transformation of cyclopropylamine in a layered organic‒inorganic halide perovskite","Journal of Materials Chemistry C","2018","6","38","10327","","10.1039/C8TC03517B","","","0.71073","MoKα","","0.079","0.0635","","","0.1791","0.1925","","","","","","1.099","","","","has coordinates","237695","2020-10-21","18:00:00",""
"7237481","9.524","0.0004","27.7354","0.001","8.2808","0.0003","90","","109.572","0.005","90","","2061","0.15","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 -","- C30 H18 N2 -","- C120 H72 N8 -","4","1","","Zhao, Chenyang; Schwartz, Thomas; Stöger, Berthold; White, Fraser J.; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Kautny, Paul","Controlling excimer formation in indolo[3,2,1-<i>jk</i>]carbazole/9<i>H</i>-carbazole based host materials for RGB PhOLEDs.","Journal of materials chemistry. C","2018","6","37","9914","9924","10.1039/c8tc03537g","","","1.54178","CuKα","","0.0763","0.0698","","","0.1523","0.1553","","","","","","1.158","","","","has coordinates","237696","2020-10-21","18:00:00",""
"7237482","10.1876","0.0008","26.5744","0.0019","20.1478","0.0016","90","","92.089","0.007","90","","5451","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 N13 O24 P6 Zn6 -","- C33 H37 N13 O24 P6 Zn6 -","- C132 H148 N52 O96 P24 Zn24 -","4","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Inorganic‒organic hybrid zinc phosphites with fluorescence/phosphorescence dual emission performances","Journal of Materials Chemistry C","2018","6","39","10411","","10.1039/C8TC03583K","","","0.71073","MoKα","","0.0961","0.0546","","","0.1309","0.1557","","","","","","1.058","","","","has coordinates","237698","2020-10-21","18:00:00",""
"7237483","10.1955","0.0008","26.678","0.002","20.1328","0.0015","90","","92.01","0.007","90","","5472.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 N13 O24 P6 Zn6 -","- C34 H39 N13 O24 P6 Zn6 -","- C136 H156 N52 O96 P24 Zn24 -","4","1","","Ni, Ai-Yun; Mu, Ying; Pan, Jie; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Inorganic‒organic hybrid zinc phosphites with fluorescence/phosphorescence dual emission performances","Journal of Materials Chemistry C","2018","6","39","10411","","10.1039/C8TC03583K","","","0.71073","MoKα","","0.0957","0.0538","","","0.1334","0.154","","","","","","1.046","","","","has coordinates","237698","2020-10-21","18:00:00",""
"7237484","15.6667","0.0018","15.8992","0.0018","20.918","0.002","67.163","0.002","82.301","0.002","79.745","0.002","4713.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 N4 O8 Zn2 -","- C66 H42 N4 O8 Zn2 -","- C132 H84 N8 O16 Zn4 -","2","1","","Tao, Chen-Lei; Ying, Yan-Mei; Wang, Hui; Chen, Bin; Zhu, Gen-Ping; Song, Yan-Jiang; Liu, Xun-Gao; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","Nonwoven fabric coated with a tetraphenylethene-based luminescent metal‒organic framework for selective and sensitive sensing of nitrobenzene and ammonia","Journal of Materials Chemistry C","2018","6","45","12371","","10.1039/C8TC03587C","","","0.71073","MoKα","","0.2502","0.1361","","","0.3968","0.423","","","","","","1.194","","","","has coordinates,has disorder","237700","2020-10-21","18:00:00",""
"7237485","14.0216","0.0006","16.0891","0.0007","20.4898","0.0009","90.103","0.002","99.673","0.002","90.989","0.002","4555.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 N2 O8 Zn2 -","- C64 H40 N2 O8 Zn2 -","- C128 H80 N4 O16 Zn4 -","2","1","","Tao, Chen-Lei; Ying, Yan-Mei; Wang, Hui; Chen, Bin; Zhu, Gen-Ping; Song, Yan-Jiang; Liu, Xun-Gao; Zhao, Zujin; Shen, Liang; Tang, Ben Zhong","Nonwoven fabric coated with a tetraphenylethene-based luminescent metal‒organic framework for selective and sensitive sensing of nitrobenzene and ammonia","Journal of Materials Chemistry C","2018","6","45","12371","","10.1039/C8TC03587C","","","0.71073","MoKα","","0.1468","0.0929","","","0.2268","0.2528","","","","","","1.033","","","","has coordinates,has disorder","237700","2020-10-21","18:00:00",""
"7237486","17.2525","0.001","7.1877","0.0005","13.1444","0.0008","90","","111.126","0.002","90","","1520.43","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","poly-[(mu3-itaconate-kO:k2O',O'':kO')(mu3-itaconate-kO:kO':kO'')tetraaquadizinc(II)]","","- C10 H16 O12 Zn2 -","- C10 H16 O12 Zn2 -","- C40 H64 O48 Zn8 -","4","1","","Wibowo, Atmanto Heru; Suryandari, Yetti; Masykur, Abu; Pérez-Yáñez, Sonia; Rodríguez-Diéguez, Antonio; Cepeda, Javier","Zinc/itaconate coordination polymers as first examples with long-lasting phosphorescence based on acyclic ligands","Journal of Materials Chemistry C","2018","6","40","10870","","10.1039/C8TC03598A","","","0.71073","MoKα","","0.0796","0.045","","","0.0665","0.0731","","","","","","1.04","","","","has coordinates","237702","2020-10-21","18:00:00",""
"7237487","8.8354","0.0002","14.553","0.0004","16.2452","0.0004","79.4787","0.001","74.6313","0.0009","80.1507","0.001","1963.63","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H30.5 Cl4.5 N5 -","- C46.5 H30.5 Cl4.5 N5 -","- C93 H61 Cl9 N10 -","2","1","","Ganesan, Paramaguru; Chen, Deng-Gao; Liao, Jia-Ling; Li, Wei-Cheng; Lai, Yi-Ning; Luo, Dian; Chang, Chih-Hao; Ko, Chang-Lun; Hung, Wen-Yi; Liu, Shun-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Chi, Yun","Isomeric spiro-[acridine-9,9′-fluorene]-2,6-dipyridylpyrimidine based TADF emitters: insights into photophysical behaviors and OLED performances","Journal of Materials Chemistry C","2018","6","37","10088","","10.1039/C8TC03645D","","","1.54178","CuKα","","0.0832","0.0755","","","0.214","0.2256","","","","","","1.05","","","","has coordinates,has disorder","237703","2020-10-21","18:00:00",""
"7237488","7.74804","0.00007","30.9577","0.0002","9.60423","0.00007","90","","100.899","0.0008","90","","2262.13","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PXZ2PTO","","- C30 H20 N2 O3 S -","- C30 H20 N2 O3 S -","- C120 H80 N8 O12 S4 -","4","1","","Xiang, Songpo; Huang, Zhi; Sun, Shuaiqiang; Lv, Xialei; Fan, Lianwei; Ye, Shaofeng; Chen, Hongting; Guo, Runda; Wang, Lei","Highly efficient non-doped OLEDs using aggregation-induced delayed fluorescence materials based on 10-phenyl-10H-phenothiazine 5,5-dioxide derivatives","Journal of Materials Chemistry C","2018","6","42","11436","","10.1039/C8TC03648A","","x-ray","1.54184","CuKα","","0.0333","0.0328","","","0.1339","0.1346","","","","","","1.275","","","","has coordinates","237705","2020-10-21","18:00:00",""
"7237489","9.8516","0.0004","13.4117","0.0005","21.701","0.0009","79.448","0.003","89.517","0.003","81.176","0.003","2784.9","0.2","107","2","107","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 N8 O10 -","- C64 H68 N8 O10 -","- C128 H136 N16 O20 -","2","1","","Tan, Lina; Mo, Shenzhong; Fang, Bing; Cheng, Wenyu; Yin, Meizhen","Dual fluorescence switching of a Rhodamine 6G-naphthalimide conjugate with high contrast in the solid state","Journal of Materials Chemistry C","2018","6","38","10270","","10.1039/C8TC03654C","","","0.71073","MoKα","","0.0714","0.0556","","","0.121","0.131","","","","","","1.02","","","","has coordinates,has disorder","237707","2020-10-21","18:00:00",""
"7237490","14.9081","0.0004","18.3536","0.0006","10.6137","0.0004","90","","100.673","0.003","90","","2853.85","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B10 -","- C32 H32 B10 -","- C128 H128 B40 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","1.54178","CuKα","","0.0705","0.0542","","","0.1582","0.1702","","","","","","1.055","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237491","18.808","0.003","9.1786","0.0013","18.193","0.003","90","","90","","90","","3140.7","0.8","298","2","298","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C32 H31 B10 I -","- C32 H31 B10 I -","- C128 H124 B40 I4 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","0.71073","MoKα","","0.0417","0.0291","","","0.069","0.0724","","","","","","1.044","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237492","13.111","0.004","12.617","0.003","19.401","0.005","90","","92.596","0.009","90","","3206","1.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 B10 I2 -","- C32 H30 B10 I2 -","- C128 H120 B40 I8 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario","Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study","Journal of Materials Chemistry C","2018","6","42","11336","","10.1039/C8TC03741H","","","0.71073","MoKα","","0.0758","0.0628","","","0.1562","0.1655","","","","","","1.04","","","","has coordinates","237709","2020-10-21","18:00:00",""
"7237493","10.9998","0.0004","32.4732","0.0013","20.5832","0.0008","90","","104.469","0.004","90","","7119.1","0.5","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H83 B4 N O10 -","- C78 H83 B4 N O10 -","- C312 H332 B16 N4 O40 -","4","1","","Hoshi, Mitsuki; Kaneko, Naoyoshi; Nishiyabu, Ryuhei; Kubo, Yuji","Formation of emissive nanoparticles from tetraphenylethylene-containing boronate macrocycles: preparation, characterization and functionalization","Journal of Materials Chemistry C","2018","6","41","11052","","10.1039/C8TC03748E","","","0.71075","MoKα","","0.1215","0.0926","","","0.2758","0.2911","","","","","","1.045","","","","has coordinates","237711","2020-10-21","18:00:00",""
"7237494","9.632","0.007","16.037","0.012","19.704","0.015","96.198","0.013","96.827","0.014","107.054","0.013","2856","4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H28 N4 -","- C38 H28 N4 -","- C152 H112 N16 -","4","2","","Shi, Jinjin; Ding, Qi; Xu, Lei; Lv, Xianhao; Liu, Zhongwei; Sun, Qikun; Pan, Yuyu; Xue, Shanfeng; Yang, Wenjun","A simple D‒π‒A hybrid mode for highly efficient non-doped true blue OLEDs with CIEy < 0.05 and EQE up to 6%","Journal of Materials Chemistry C","2018","6","41","11063","","10.1039/C8TC03777A","","","0.71073","MoKα","","0.1","0.0559","","","0.1228","0.1363","","","","","","1.089","","","","has coordinates","237713","2020-10-21","18:00:00",""
"7237495","16.5689","0.0005","35.4714","0.0009","16.5839","0.0005","90","","107.626","0.003","90","","9289.1","0.5","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C111 H70 Cl2 N12 -","- C111 H70 Cl2 N12 -","- C444 H280 Cl8 N48 -","4","1","","Bian, Mengying; Wang, Yuanxun; Guo, Xuan; Lv, Fang; Chen, Zhijian; Duan, Lian; Bian, Zuqiang; Liu, Zhiwei; Geng, Hua; Xiao, Lixin","Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n‒D‒(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs","Journal of Materials Chemistry C","2018","6","38","10276","","10.1039/C8TC03796E","","","0.71073","MoKα","","0.1088","0.0965","","","0.2167","0.2225","","","","","","1.019","","","","has coordinates","237715","2020-10-21","18:00:00",""
"7237496","19.5621","0.001","24.2721","0.0018","12.7702","0.0007","90","","129.729","0.005","90","","4663.3","0.6","179.99","0.1","179.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H38 Cl4 N6 -","- C57 H38 Cl4 N6 -","- C228 H152 Cl16 N24 -","4","0.5","","Bian, Mengying; Wang, Yuanxun; Guo, Xuan; Lv, Fang; Chen, Zhijian; Duan, Lian; Bian, Zuqiang; Liu, Zhiwei; Geng, Hua; Xiao, Lixin","Positional isomerism effect of spirobifluorene and terpyridine moieties of “(A)n‒D‒(A)n” type electron transport materials for long-lived and highly efficient TADF-PhOLEDs","Journal of Materials Chemistry C","2018","6","38","10276","","10.1039/C8TC03796E","","","0.71073","MoKα","","0.1371","0.1018","","","0.2208","0.2426","","","","","","1.042","","","","has coordinates","237715","2020-10-21","18:00:00",""
"7237497","9.9509","0.0009","12.5238","0.0011","13.0711","0.0012","83.788","0.004","81.296","0.003","68.485","0.003","1495.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H72 N2 O2 -","- C80 H72 N2 O2 -","- C80 H72 N2 O2 -","1","0.5","","Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.","The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones","Journal of Materials Chemistry C","2018","6","45","12306","","10.1039/C8TC03880E","","","0.7288","synchrotron","","0.102","0.0689","","","0.1897","0.2171","","","","","","1.042","","","","has coordinates","237718","2020-10-21","18:00:00",""
"7237498","5.6216","0.0002","10.3184","0.0004","27.8242","0.0011","88.5483","0.001","87.7039","0.0011","81.9237","0.001","1596.36","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C80 H88 N4 O4 -","2","1","","Sadowski, Bartłomiej; Su, Shih-Hao; Lin, Ta-Chun; Lohrey, Trevor D.; Deperasińska, Irena; Chou, Pi-Tai; Gryko, Daniel T.","The influence of tetraphenylethylene moieties on the emissive properties of dipyrrolonaphthyridinediones","Journal of Materials Chemistry C","2018","6","45","12306","","10.1039/C8TC03880E","","","1.54178","CuKα","","0.1214","0.106","","","0.3253","0.3327","","","","","","1.122","","","","has coordinates,has disorder","237719","2020-10-21","18:00:00",""
"7237499","4.0465","0.0002","12.2676","0.0007","14.3472","0.0008","82.585","0.002","82.769","0.002","83.758","0.002","697.53","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 F4 I2 N2 O2 -","- C28 H20 F4 I2 N2 O2 -","- C28 H20 F4 I2 N2 O2 -","1","0.5","","Zhuo, Ming-Peng; Tao, Yi-Chen; Wang, Xue-Dong; Chen, Shuo; Liao, Liang-Sheng","Rational synthesis of organic single-crystalline microrods and microtubes for efficient optical waveguides","Journal of Materials Chemistry C","2018","6","36","9594","","10.1039/C8TC03886D","","","0.71073","MoKα","","0.0165","0.0162","","","0.0458","0.046","","","","","","1.083","","","","has coordinates","237721","2020-10-21","18:00:00",""
"7237500","7.2783","0.0007","9.6835","0.0008","12.2806","0.0011","85.371","0.007","83.085","0.007","87.911","0.007","856.12","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 B2 Br2 F2 -","- C20 H10 B2 Br2 F2 -","- C40 H20 B4 Br4 F4 -","2","1","","John, Alexandra; Bolte, Michael; Lerner, Hans-Wolfram; Meng, Guoyun; Wang, Suning; Peng, Tai; Wagner, Matthias","Doubly boron-doped pentacenes as emitters for OLEDs","Journal of Materials Chemistry C","2018","6","40","10881","","10.1039/C8TC03954B","","","0.71073","MoKα","","0.052","0.0372","","","0.09","0.0961","","","","","","1.008","","","","has coordinates","237723","2020-10-21","18:00:00",""
"7237501","20.3634","0.0014","7.6539","0.0004","24.5216","0.0016","90","","108.846","0.005","90","","3617","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 B2 F2 -","- C45 H40 B2 F2 -","- C180 H160 B8 F8 -","4","1","","John, Alexandra; Bolte, Michael; Lerner, Hans-Wolfram; Meng, Guoyun; Wang, Suning; Peng, Tai; Wagner, Matthias","Doubly boron-doped pentacenes as emitters for OLEDs","Journal of Materials Chemistry C","2018","6","40","10881","","10.1039/C8TC03954B","","","0.71073","MoKα","","0.0997","0.0505","","","0.1032","0.1184","","","","","","0.92","","","","has coordinates","237723","2020-10-21","18:00:00",""
"7237502","16.3865","0.0013","20.1765","0.0016","12.7148","0.0011","90","","98.129","0.002","90","","4161.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H36 Cl2 N4 O0 -","- C55 H36 Cl2 N4 -","- C220 H144 Cl8 N16 -","4","1","","Li, Chenglong; Li, Zhiqiang; Liang, Jixiong; Luo, Hao; Liu, Yu; Wei, Jinbei; Wang, Yue","A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs","Journal of Materials Chemistry C","2018","6","47","12888","","10.1039/C8TC04218G","","","0.71073","MoKα","","0.1315","0.0783","","","0.21","0.2477","","","","","","1.054","","","","has coordinates","237725","2020-10-21","18:00:00",""
"7237503","13.224","0.003","16.378","0.003","20.907","0.004","106.65","0.03","96.56","0.03","106.17","0.03","4072.9","1.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H38 N4 -","- C54 H38 N4 -","- C216 H152 N16 -","4","2","","Li, Chenglong; Li, Zhiqiang; Liang, Jixiong; Luo, Hao; Liu, Yu; Wei, Jinbei; Wang, Yue","A twisted phenanthroimidazole based molecule with high triplet energy as a host material for high efficiency phosphorescent OLEDs","Journal of Materials Chemistry C","2018","6","47","12888","","10.1039/C8TC04218G","","","0.71073","MoKα","","0.0854","0.0523","","","0.1311","0.1465","","","","","","1.019","","","","has coordinates","237725","2020-10-21","18:00:00",""
"7237504","16.6879","0.0005","8.2499","0.0002","17.2222","0.0005","90","","107.757","0.001","90","","2258.08","0.11","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H11 Cl6 N2 -","- C24 H11 Cl6 N2 -","- C96 H44 Cl24 N8 -","4","1","","Abdurahman, Alim; Chen, Yingxin; Ai, Xin; Ablikim, Obolda; Gao, Yu; Dong, Shengzhi; Li, Bao; Yang, Bing; Zhang, Ming; Li, Feng","A pure red luminescent β-carboline-substituted biphenylmethyl radical: photophysics, stability and OLEDs","Journal of Materials Chemistry C","2018","6","42","11248","","10.1039/C8TC04298E","","","0.71073","MoKα","","0.1048","0.0516","","","0.1296","0.1669","","","","","","1.043","","","","has coordinates","237727","2020-10-21","18:00:00",""
"7237505","7.6932","0.0003","9.907","0.0002","22.3507","0.0006","88.016","0.002","83.522","0.003","83.631","0.002","1681.75","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C90 H58 N6 S4 -","2","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure‒property relationship in multi-stimuli responsive D‒A‒A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","1.54184","CuKα","","0.0483","0.0467","","","0.1336","0.1378","","","","","","1.043","","","","has coordinates","237729","2020-10-21","18:00:00",""
"7237506","11.0588","0.001","8.5477","0.0007","36.929","0.003","90","","98.26","0.007","90","","3454.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C180 H116 N12 S8 -","4","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure‒property relationship in multi-stimuli responsive D‒A‒A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","0.71073","MoKα","","0.147","0.0897","","","0.2097","0.2435","","","","","","1.041","","","","has coordinates","237729","2020-10-21","18:00:00",""
"7237507","7.644","0.0008","9.8294","0.0008","22.3403","0.0019","87.824","0.007","83.835","0.008","83.258","0.007","1656.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H29 N3 S2 -","- C45 H29 N3 S2 -","- C90 H58 N6 S4 -","2","1","","Ekbote, Anupama; Mobin, Shaikh M.; Misra, Rajneesh","Structure‒property relationship in multi-stimuli responsive D‒A‒A′ benzothiazole functionalized isomers","Journal of Materials Chemistry C","2018","6","40","10888","","10.1039/C8TC04310H","","","0.71073","MoKα","","0.2544","0.0985","","","0.2156","0.3545","","","","","","0.945","","","","has coordinates","237729","2020-10-21","18:00:00",""
"7237508","4.8961","0.0004","8.3384","0.0007","16.1441","0.0014","91.827","0.003","90.314","0.003","99.32","0.003","650.02","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","1","0.5","","Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril","N-Cyanoimine as an electron-withdrawing functional group for organic semiconductors: example of dihydroindacenodithiophene positional isomers","Journal of Materials Chemistry C","2018","6","48","13197","","10.1039/C8TC04313B","","x-ray","0.71073","MoKα","","0.0717","0.0444","","","0.0858","0.0965","","","","","","1.03","","","","has coordinates","237731","2020-10-21","18:00:00",""
"7237509","7.0293","0.0011","10.0818","0.0013","18.972","0.003","81.078","0.005","85.447","0.006","80.052","0.005","1306.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N4 S2 -","- C30 H30 N4 S2 -","- C60 H60 N8 S4 -","2","1","","Peltier, Jean-David; Heinrich, Benoît; Donnio, Bertrand; Jeannin, Olivier; Rault-Berthelot, Joëlle; Jacques, Emmanuel; Poriel, Cyril","N-Cyanoimine as an electron-withdrawing functional group for organic semiconductors: example of dihydroindacenodithiophene positional isomers","Journal of Materials Chemistry C","2018","6","48","13197","","10.1039/C8TC04313B","","x-ray","0.71073","MoKα","","0.1015","0.0601","","","0.1424","0.1698","","","","","","1.051","","","","has coordinates","237731","2020-10-21","18:00:00",""
"7237510","13.243","0.003","16.245","0.003","20.886","0.004","90","","108.37","0.03","90","","4264.3","1.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.12 H29 Cl2.3 F3 Ir N2 O2 S3 -","- C45.124 H30.248 Cl2.248 F3 Ir N2 O2 S3 -","- C180.496 H120.992 Cl8.992 F12 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.9","synchrotron","","0.0921","0.0863","","","0.2519","0.2617","","","","","","1.079","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237511","11.387","0.002","17.324","0.003","18.358","0.004","90","","92.59","0.03","90","","3617.8","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","C16_DMC","","","- C42 H24 F3 Ir N2 O2 S3 -","- C42 H24 F3 Ir N2 O2 S3 -","- C168 H96 F12 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.62","synchrotron","","0.1379","0.0935","","","0.257","0.2834","","","","","","1.078","","","","has coordinates","237734","2020-10-21","18:00:00",""
"7237512","11.613","0.004","18.187","0.007","20.859","0.007","90","","103.326","0.009","90","","4287","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","C18","","","- C45 H24 Cl2 F9 Ir N2 O2 S3 -","- C44.974 H23.948 Cl1.948 F9 Ir N2 O2 S3 -","- C179.896 H95.792 Cl7.792 F36 Ir4 N8 O8 S12 -","4","1","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.71073","MoKα","","0.0475","0.0331","","","0.073","0.0798","","","","","","1.031","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237513","13.947","0.006","16.406","0.007","20.411","0.008","86.55","0.015","82.304","0.014","75.731","0.015","4484","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","C17","","","- C49 H34 Cl2 F3 Ir N2 O6 S3 -","- C49.019 H34.038 Cl2.038 F3 Ir N2 O6 S3 -","- C196.076 H136.152 Cl8.152 F12 Ir4 N8 O24 S12 -","4","2","","Kim, Hae Un; Sohn, Sunyoung; Choi, Wanuk; Kim, Minjun; Ryu, Seung Un; Park, Taiho; Jung, Sungjune; Bejoymohandas, K. S.","Substituents engineered deep-red to near-infrared phosphorescence from tris-heteroleptic iridium(iii) complexes for solution processable red-NIR organic light-emitting diodes","Journal of Materials Chemistry C","2018","6","39","10640","","10.1039/C8TC04321C","","","0.71073","MoKα","","0.1256","0.0656","","","0.1239","0.1505","","","","","","1.053","","","","has coordinates,has disorder","237734","2020-10-21","18:00:00",""
"7237514","12.5733","0.0004","12.1377","0.0003","11.9395","0.0003","90","","102.72","0.003","90","","1777.38","0.09","100","0.4","100","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Bi0.5 I4.5 N2 -","- C6 H20 Bi0.5 I4.5 N2 -","- C24 H80 Bi2 I18 N8 -","4","1","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","x-ray","0.71073","MoKα","","0.0365","0.0236","","","0.0397","0.0443","","","","","","1.046","","","","has coordinates","237736","2020-10-21","18:00:00",""
"7237515","12.0482","0.0007","12.4277","0.0008","12.7161","0.0009","90","","101.681","0.002","90","","1864.6","0.2","300","2","299.99","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","","0.71073","MoKα","","0.0445","0.0331","","","0.0938","0.1141","","","","","","1.151","","","","has coordinates,has disorder","237736","2020-10-21","18:00:00",""
"7237516","12.024","0.0007","12.3072","0.0008","12.6205","0.0008","90","","102.258","0.002","90","","1825","0.2","210","2","210.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H40 Bi I9 N4 -","- C12 H40 Bi I9 N4 -","- C24 H80 Bi2 I18 N8 -","2","0.25","","Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua","Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption","Journal of Materials Chemistry C","2018","6","45","12170","","10.1039/C8TC04372H","","","0.71073","MoKα","","0.0436","0.0406","","","0.1098","0.1207","","","","","","1.276","","","","has coordinates,has disorder","237736","2020-10-21","18:00:00",""
"7237517","20.354","0.004","11.829","0.002","13.889","0.003","90","","103.45","0.03","90","","3252.3","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B F4 N3 -","- C37 H32 B F4 N3 -","- C148 H128 B4 F16 N12 -","4","1","","Kang, Qing; Xiao, Yin; Hu, Wenping; Wang, Yong","Smartly designed AIE triazoliums as unique targeting fluorescence tags for sulfonic biomacromolecule recognition via ‘electrostatic locking’","Journal of Materials Chemistry C","2018","6","46","12529","","10.1039/C8TC04425B","","","0.71073","MoKα","","0.0895","0.069","","","0.1805","0.1962","","","","","","1.088","","","","has coordinates,has disorder","237738","2020-10-21","18:00:00",""
"7237518","7.1223","0.0005","7.6686","0.0005","14.1045","0.0009","83.324","0.005","75.939","0.006","76.993","0.005","726.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cd N2 O8 S2 -","- C32 H28 Cd N2 O8 S2 -","- C32 H28 Cd N2 O8 S2 -","1","0.5","","Cheng, Feng; Fu, Ruibiao; Wen, Yuehong; Yang, Yu-Ying; Zeng, Chen; Zhang, Yuxiao; Hu, Shengmin; Wu, Xintao","A new Cd based metal‒organic framework for quick and convenient detection of trace water in isopropanol and 1,4-dioxane","Journal of Materials Chemistry C","2018","6","45","12341","","10.1039/C8TC04483J","","x-ray","0.71073","MoKα","","0.0535","0.052","","","0.1583","0.161","","","","","","1.083","","","","has coordinates","237740","2020-10-21","18:00:00",""
"7237519","15.094","0.0006","15.633","0.0006","33.864","0.0015","90","","90","","90","","7990.7","0.6","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H24 F10 Ir N8 P -","- C38 H24 F10 Ir N8 P -","- C304 H192 F80 Ir8 N64 P8 -","8","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.0384","0.0265","","","0.0652","0.0698","","","","","","1.05","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237520","14.458","0.004","15.043","0.004","16.466","0.005","90","","90","","90","","3581.2","1.8","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 F6 Ir N8 P -","- C38 H28 F6 Ir N8 P -","- C152 H112 F24 Ir4 N32 P4 -","4","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.063","0.053","","","0.1393","0.1493","","","","","","1.059","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237522","6.9794","0.0003","6.9794","0.0003","16.9761","0.0012","90","","90","","120","","716.15","0.07","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Mg N6 O6 -","- C6 Ba2 Mg1.00002 N6 O6 -","- C18 Ba6 Mg3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0196","0.0173","","","0.0439","0.0474","","","","","","1.2629","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237523","7.061","0.0006","7.061","0.0006","17.976","0.002","90","","90","","120","","776.17","0.13","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C6 Ba2 Ca N6 O6 -","- C6 Ba2 Ca1.00002 N6 O6 -","- C18 Ba6 Ca3.00006 N18 O18 -","3","0.166667","","Li, Zhuang; Liang, Fei; Guo, Yangwu; Lin, Zheshuai; Yao, Jiyong; Zhang, Guochun; Yin, Wenlong; Wu, Yicheng; Chen, Chuangtian","Ba2M(C3N3O3)2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C3N3O3)3− group","Journal of Materials Chemistry C","2018","6","47","12879","","10.1039/C8TC04710C","","","0.71073","MoKα","","0.0157","0.0149","","","0.0365","0.0367","","","","","","1.036","","","","has coordinates","237746","2020-10-21","18:00:00",""
"7237524","9.101","0.0004","9.2238","0.0004","14.9779","0.0007","80.357","0.002","89.219","0.002","82.426","0.002","1228.71","0.1","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","Diazo compound","","- C24 H26 N6 O3 S -","- C24 H26 N6 O3 S -","- C48 H52 N12 O6 S2 -","2","1","","Singh, Gagandeep; Raj, Pushap; Singh, Harupjit; Singh, Narinder","Colorimetric detection and ratiometric quantification of mercury(ii) using azophenol dye: ‘dip & read’ based handheld prototype device development","Journal of Materials Chemistry C","2018","6","46","12728","","10.1039/C8TC04720K","","","0.71073","MoKα","","0.1251","0.0887","","","0.1992","0.2139","","","","","","1.033","","","","has coordinates","237748","2020-10-21","18:00:00",""
"7237525","10.185","0.0006","13.7241","0.0006","24.2742","0.0011","104.2","0.004","90.154","0.004","111.727","0.005","3039.2","0.3","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 F12 O2 P2 S20 -","- C48 H48 F12 O2 P2 S20 -","- C96 H96 F24 O4 P4 S40 -","2","1","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","1.54184","CuKα","","0.0802","0.0554","","","0.1207","0.1383","","","","","","1.006","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237526","15.782","0.001","7.658","0.0005","23.794","0.002","90","","103.09","0.007","90","","2801","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C83 H70 Cl6 S40 -","- C80 H64 S40 -","- C80 H64 S40 -","1","0.25","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","0.71073","MoKα","","0.1137","0.0783","","","0.2317","0.2483","","","","","","1.081","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237527","7.596","0.002","17.727","0.002","24.21","0.003","90","","90","","90","","3260","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H10 O S6 -","- C15 H10 O S6 -","- C120 H80 O8 S48 -","8","1","","Krykun, Serhii; Croué, Vincent; Allain, Magali; Voitenko, Zoia; Aragó, Juan; Ortí, Enrique; Goeb, Sébastien; Sallé, Marc","Tuning the electronic properties and the planarity degree in the π-extended TTF series: the prominent role of heteroatoms","Journal of Materials Chemistry C","2018","6","48","13190","","10.1039/C8TC04730H","","x-ray","0.71073","MoKα","","0.1761","0.0745","","","0.1269","0.1576","","","","","","1.075","","","","has coordinates,has disorder","237749","2020-10-21","18:00:00",""
"7237528","7.0611","0.0009","9.8351","0.0013","11.0237","0.0013","98.033","0.011","106.241","0.011","100.184","0.011","708.78","0.17","106.4","","106.4","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F3 N O3 -","- C16 H12 F3 N O3 -","- C32 H24 F6 N2 O6 -","2","1","","Zhong, Jinpan; Cui, Xingyu; Guan, Weijiang; Lu, Chao","Direct observation of adsorption kinetics on clays by cation‒π interaction-triggered aggregation luminescence","Journal of Materials Chemistry C","2018","6","48","13218","","10.1039/C8TC04837A","","","1.5418","CuKα","","0.0424","0.039","","","0.1079","0.1117","","","","","","1.078","","","","has coordinates","237751","2020-10-21","18:00:00",""
"7237530","8.834","0.003","23.095","0.006","11.074","0.004","90","","109.65","0.03","90","","2127.8","1.3","99.97","0.19","99.97","0.19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H14 F9 N -","- C27 H14 F9 N -","- C108 H56 F36 N4 -","4","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.0527","0.0368","","","0.0848","0.0927","","","","","","1.023","","","","has coordinates","237753","2020-10-21","18:00:00",""
"7237531","10.512","0.004","11.169","0.004","14.712","0.004","97.8","0.03","108.96","0.03","106.05","0.03","1520.8","1","99.96","0.16","99.96","0.16","","","","","","","","4","P -1","-P 1","2","","","","- C35 H30 F9 N -","- C35 H30 F9 N -","- C70 H60 F18 N2 -","2","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.0717","0.0432","","","0.0981","0.1124","","","","","","1.024","","","","has coordinates,has disorder","237753","2020-10-21","18:00:00",""
"7237532","10.87","0.004","24.126","0.006","12.55","0.004","90","","105.57","0.03","90","","3170.5","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 F9 N -","- C35 H30 F9 N -","- C140 H120 F36 N4 -","4","1","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.2018","0.0961","","","0.2399","0.3362","","","","","","0.907","","","","has coordinates,has disorder","237753","2020-10-21","18:00:00",""
"7237533","8.791","0.003","50.622","0.009","15.001","0.004","90","","96.16","0.03","90","","6637","3","99.97","0.18","99.97","0.18","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H28 F8 N2 -","- C42 H28 F8 N2 -","- C336 H224 F64 N16 -","8","4","","Hladka, Iryna; Volyniuk, Dmytro; Bezvikonnyi, Oleksandr; Kinzhybalo, Vasyl; Bednarchuk, Tamara J.; Danyliv, Yan; Lytvyn, Roman; Lazauskas, Algirdas; Grazulevicius, Juozas V.","Polymorphism of derivatives of tert-butyl substituted acridan and perfluorobiphenyl as sky-blue OLED emitters exhibiting aggregation induced thermally activated delayed fluorescence","Journal of Materials Chemistry C","2018","6","48","13179","","10.1039/C8TC04867C","","x-ray","0.71073","MoKα","","0.089","0.0634","","","0.1354","0.1495","","","","","","1.06","","","","has coordinates","237753","2020-10-21","18:00:00",""
"7237537","22.965","0.004","26.334","0.005","19.819","0.004","90","","110.524","0.004","90","","11225","4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C96 H30 -","- C96 H30 -","- C768 H240 -","8","2","","Xue, Lan; Tian, Chengbo; Liang, Hua; Deng, Linlong; Tan, Yuanzhi; Wei, Zhanhua; Xie, Suyuan","From C60Ph5Cl to C60Ph6: complete phenylation of C60 derivative renders superior organic photovoltaic performance","Journal of Materials Chemistry C","2018","6","46","12721","","10.1039/C8TC05027A","","","0.71073","MoKα","","0.1839","0.103","","","0.2533","0.2954","","","","","","1.014","","","","has coordinates","237756","2020-10-21","18:00:00",""
"7701894","9.5713","0.0003","13.7242","0.0005","14.7211","0.0003","85.898","0.002","86.077","0.002","80.81","0.003","1900.84","0.1","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 Ni O P2 S2 -","- C44 H44 Ni O P2 S2 -","- C88 H88 Ni2 O2 P4 S4 -","2","1","","Zhang, Ailing; Wang, Congxiao; Lai, Xiaoyu; Zhai, Xiaofang; Pang, Maofu; Tung, Chen-Ho; Wang, Wenguang","Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15757","15764","10.1039/c8dt03188f","","x-ray","1.54184","CuKα","","0.0459","0.0344","","","0.0841","0.0908","","","","","","1.067","","","","has coordinates,has disorder","227798","2020-10-21","18:00:00",""
"7701895","11.49513","0.00014","13.94818","0.00014","17.4387","0.00017","91.9485","0.0008","103.126","0.001","97.666","0.0009","2692.67","0.05","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C67 H61 B Ni P2 S2 -","- C67 H61 B Ni P2 S2 -","- C134 H122 B2 Ni2 P4 S4 -","2","1","","Zhang, Ailing; Wang, Congxiao; Lai, Xiaoyu; Zhai, Xiaofang; Pang, Maofu; Tung, Chen-Ho; Wang, Wenguang","Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15757","15764","10.1039/c8dt03188f","","x-ray","1.54184","CuKα","","0.0604","0.0494","","","0.132","0.1462","","","","","","1.066","","","","has coordinates,has disorder","227798","2020-10-21","18:00:00",""
"7701896","18.6906","0.0003","21.6675","0.0003","27.8121","0.0004","90","","90","","90","","11263.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 B Ni P2 S2 -","- C64 H56 B Ni P2 S2 -","- C512 H448 B8 Ni8 P16 S16 -","8","1","","Zhang, Ailing; Wang, Congxiao; Lai, Xiaoyu; Zhai, Xiaofang; Pang, Maofu; Tung, Chen-Ho; Wang, Wenguang","Reactivity of the diphosphinodithio ligated nickel(0) complex toward alkyl halides and resultant nickel(i) and nickel(ii)-alkyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15757","15764","10.1039/c8dt03188f","","","1.54184","CuKα","","0.0513","0.0391","","","0.0987","0.1088","","","","","","1.027","","","","has coordinates","227798","2020-10-21","18:00:00",""
"7701897","5.23064","0.00011","5.23064","","4.62476","0.00018","90","","90","","120","","109.58","0.005","298","","298","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Mn O6 Sn Te -","- Mn O6 Sn Te -","- Mn O6 Sn Te -","1","0.0833333","","Nalbandyan, V. B.; Evstigneeva, M. A.; Vasilchikova, T. M.; Bukhteev, K. Yu; Vasiliev, A. N.; Zvereva, E. A.","Trigonal layered rosiaite-related antiferromagnet MnSnTeO<sub>6</sub>: ion-exchange preparation, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14760","14766","10.1039/c8dt03329c","powder diffraction","x-ray","1.54056","","","","","","","","","0.19376","","1.96","","","","","","","has coordinates","227799","2020-10-21","18:00:00",""
"7701898","14.105","0.002","14.414","0.002","18.746","0.003","72.154","0.002","87.487","0.002","87.452","0.002","3622.4","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H100 F12 N8 O4 P4 -","- C76 H100 F12 N8 O4 P4 -","- C152 H200 F24 N16 O8 P8 -","2","1","","Abe, Masaaki; Mukotaka, Hiroto; Fujioka, Taro; Okawara, Toru; Umegaki, Kei; Ono, Toshikazu; Hisaeda, Yoshio","First entry into nonmetal-centred porphycenes: synthesis of a phosphorus(v) complex of octaethylporphycene.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2487","2491","10.1039/c7dt04471b","","","0.71073","MoKα","","0.0905","0.0482","","","0.0938","0.1098","","","","","","1.006","","","","has coordinates,has disorder","227800","2020-10-21","18:00:00",""
"7701899","15.0495","0.0009","8.8372","0.0006","29.5665","0.0018","90","","103.469","0.001","90","","3824.1","0.4","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 F6 N4 O2 P2 -","- C38 H50 F6 N4 O2 P2 -","- C152 H200 F24 N16 O8 P8 -","4","1","","Abe, Masaaki; Mukotaka, Hiroto; Fujioka, Taro; Okawara, Toru; Umegaki, Kei; Ono, Toshikazu; Hisaeda, Yoshio","First entry into nonmetal-centred porphycenes: synthesis of a phosphorus(v) complex of octaethylporphycene.","Dalton transactions (Cambridge, England : 2003)","2018","47","8","2487","2491","10.1039/c7dt04471b","","","0.71073","MoKα","","0.0512","0.0427","","","0.1128","0.1194","","","","","","1.032","","","","has coordinates,has disorder","227800","2020-10-21","18:00:00",""
"7701900","13.08","0.0004","14.418","0.0005","17.9989","0.0005","73.3874","0.0019","78.3545","0.0018","66.9439","0.0018","2977.27","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H63 Cl2 Mn2 N13 O11 -","- C56 H63 Cl2 Mn2 N13 O11 -","- C112 H126 Cl4 Mn4 N26 O22 -","2","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","","1.54178","CuKα","","0.0876","0.0593","","","0.147","0.1665","","","","","","1.038","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7701901","21.3934","0.0011","21.7926","0.0011","11.626","0.0006","90","","115.314","0.003","90","","4899.8","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C46 H43 Cl2 Mn2 N12 O11 -","- C46 H43 Cl2 Mn2 N12 O11 -","- C184 H172 Cl8 Mn8 N48 O44 -","4","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","x-ray","0.71073","MoKα","","0.0977","0.0766","","","0.1598","0.1703","","","","","","1.12","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7701902","12.8864","0.0008","13.153","0.0008","16.606","0.0011","80.111","0.002","71.25","0.002","61.869","0.001","2349.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H45.5 Cl2 Cu2 N11.5 O11.5 -","- C42.002 H45.503 Cl2 Cu2 N11.501 O11.5 -","- C84.004 H91.006 Cl4 Cu4 N23.002 O23 -","2","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","x-ray","0.71073","MoKα","","0.0713","0.0658","","","0.1727","0.177","","","","","","1.042","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7701903","20.4647","0.0008","21.8424","0.0008","11.5893","0.0004","90","","111.258","0.001","90","","4827.9","0.3","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C45 H42.5 Cl2 Cu2 N11.5 O11 -","- C45 H42.5 Cl2 Cu2 N11.5 O11 -","- C180 H170 Cl8 Cu8 N46 O44 -","4","1","","Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.","Catechol oxidase activity of comparable dimanganese and dicopper complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15555","15564","10.1039/c8dt01378k","","x-ray","0.71073","MoKα","","0.0487","0.0427","","","0.1082","0.1123","","","","","","1.059","","","","has coordinates,has disorder","227803","2020-10-21","18:00:00",""
"7701904","10.0657","0.0003","37.2319","0.0009","18.482","0.0005","90","","117.426","0.002","90","","6147.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H35 Dy3 F18 N2 O15 -","- C58 H35 Dy3 F18 N2 O15 -","- C232 H140 Dy12 F72 N8 O60 -","4","1","","Chen, Zhi; Lan, Yanhua; Su, Chenliang; Zhang, Yi-Quan; Wernsdorfer, Wolfgang","A belt-like one-dimensional Dy chain exhibiting slow magnetic relaxation behavior.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15298","15302","10.1039/c8dt03751e","","","0.71073","MoKα","","0.0797","0.0544","","","0.102","0.108","","","","","","1.041","","","","has coordinates,has disorder","227804","2020-10-21","18:00:00",""
"7701905","10.465","0.002","24.416","0.005","17.474","0.004","90","","104.36","0.03","90","","4325.3","1.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Br2 Mo12 N4 O52 S -","- C56 H68 Br2 Mo12 N4 O52 S -","- C112 H136 Br4 Mo24 N8 O104 S2 -","2","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0549","0.0472","","","0.1178","0.1234","","","","","","1.046","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701906","11.48","0.002","12.28","0.003","15.587","0.003","109.54","0.03","100.03","0.03","100.6","0.03","1968.5","0.9","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H69 Mo12 N6 O52 P -","- C47 H69 Mo12 N6 O52 P -","- C47 H69 Mo12 N6 O52 P -","1","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0415","0.0412","","","0.091","0.0926","","","","","","1.136","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701907","10.959","0.002","11.734","0.002","16.501","0.003","70.25","0.03","79.77","0.03","83.85","0.03","1962.8","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H65 Br2 Mo12 N3 O52 S -","- C46 H65 Br2 Mo12 N3 O52 S -","- C46 H65 Br2 Mo12 N3 O52 S -","1","0.5","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0449","0.0424","","","0.1071","0.1116","","","","","","1.141","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701908","13.573","0.003","21.542","0.004","14.019","0.003","90","","93.46","0.03","90","","4091.5","1.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C51 H86 Mo12 N4 O50 P -","- C51 H86 Mo12 N4 O50 P -","- C102 H172 Mo24 N8 O100 P2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0576","0.0565","","","0.1514","0.1519","","","","","","1.136","","","","has coordinates","227808","2020-10-21","18:00:00",""
"7701909","17.634","0.004","16.955","0.003","18.481","0.004","90","","108.71","0.03","90","","5234","2","173","2","173","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C70 H99 Br3 Mo12 N5 O58 P -","- C70 H99 Br3 Mo12 N5 O58 P -","- C140 H198 Br6 Mo24 N10 O116 P2 -","2","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.0791","0.0749","","","0.1859","0.1909","","","","","","1.033","","","","has coordinates,has disorder","227808","2020-10-21","18:00:00",""
"7701910","31.99","0.03","16.708","0.019","17.186","0.019","90","","115.666","0.01","90","","8279","15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H29 Eu F9 N3 O10 -","- C42 H29 Eu F9 N3 O10 -","- C336 H232 Eu8 F72 N24 O80 -","8","1","","Okayasu, Yoshinori; Kamebuchi, Hajime; Yuasa, Junpei","The effect of ligand symmetry on the ratiometric luminescence characteristics of lanthanides.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6779","6786","10.1039/c8dt00898a","","","0.71073","MoKα","","0.0359","0.0285","","","0.0603","0.0635","","","","","","1.006","","","","has coordinates,has disorder","227810","2020-10-21","18:00:00",""
"7701911","12.6047","0.0003","14.1338","0.0004","20.6321","0.0006","90","","98.5","0.002","90","","3635.28","0.17","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 F6 Ir N5 P -","- C43 H31 F6 Ir N5 P -","- C172 H124 F24 Ir4 N20 P4 -","4","1","","He, Liang; Wang, Kang-Nan; Zheng, Yue; Cao, Jian-Jun; Zhang, Ming-Fang; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes induce mitochondria-derived paraptotic cell death and inhibit tumor growth in vivo.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6942","6953","10.1039/c8dt00783g","","","1.54184","CuKα","","0.0456","0.0326","","","0.0773","0.0849","","","","","","1.036","","","","has coordinates","227811","2020-10-21","18:00:00",""
"7701912","13.7563","0.001","26.9979","0.0014","12.3453","0.0008","90","","92.268","0.002","90","","4581.3","0.5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H35 Cl2 F6 Ir N5 P -","- C52 H37 Cl2 F6 Ir N5 P -","- C208 H148 Cl8 F24 Ir4 N20 P4 -","4","1","","He, Liang; Wang, Kang-Nan; Zheng, Yue; Cao, Jian-Jun; Zhang, Ming-Fang; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes induce mitochondria-derived paraptotic cell death and inhibit tumor growth in vivo.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6942","6953","10.1039/c8dt00783g","","","0.71073","MoKα","","0.0757","0.0593","","","0.1719","0.1894","","","","","","0.987","","","","has coordinates","227811","2020-10-21","18:00:00",""
"7701913","14.5049","0.0008","12.0032","0.0006","25.2576","0.0016","90","","94.719","0.002","90","","4382.6","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 Cl2 F6 Ir N5 O0 P -","- C48 H35 Cl2 F6 Ir N5 P -","- C192 H140 Cl8 F24 Ir4 N20 P4 -","4","1","","He, Liang; Wang, Kang-Nan; Zheng, Yue; Cao, Jian-Jun; Zhang, Ming-Fang; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Cyclometalated iridium(iii) complexes induce mitochondria-derived paraptotic cell death and inhibit tumor growth in vivo.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6942","6953","10.1039/c8dt00783g","","","0.71073","MoKα","","0.0789","0.0535","","","0.1469","0.1759","","","","","","1.062","","","","has coordinates","227811","2020-10-21","18:00:00",""
"7701914","14.1195","0.0008","14.7456","0.0009","17.6202","0.001","90","","100.412","0.005","90","","3608.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Cu5 I8 N6 -","- C21 H21 Cu5 I8 N6 -","- C84 H84 Cu20 I32 N24 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0472","0.0353","","","0.0911","0.0985","","","","","","1.086","","","","has coordinates","227812","2020-10-21","18:00:00",""
"7701915","14.3494","0.001","15.0427","0.001","17.7803","0.0012","90","","99.471","0.006","90","","3785.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cu5 I8 N6 -","- C24 H27 Cu5 I8 N6 -","- C96 H108 Cu20 I32 N24 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0634","0.0414","","","0.0995","0.1092","","","","","","1.055","","","","has coordinates","227812","2020-10-21","18:00:00",""
"7701916","13.5959","0.001","14.1298","0.001","17.0928","0.0011","90","","100.016","0.006","90","","3233.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Br8 Cu5 N6 -","- C21 H21 Br8 Cu5 N6 -","- C84 H84 Br32 Cu20 N24 -","4","1","","Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming","Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6965","6972","10.1039/c7dt04733a","","","0.71073","MoKα","","0.0793","0.0524","","","0.1282","0.144","","","","","","1.014","","","","has coordinates","227812","2020-10-21","18:00:00",""
"7701917","13.569","0.0001","13.83","0.0001","27.858","0.0002","90","","90","","90","","5227.81","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C20 H20 N2 O10 Ru3 -","- C20 H20 N2 O10 Ru3 -","- C160 H160 N16 O80 Ru24 -","8","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","","0.71073","MoKα","","0.0246","0.0197","","","0.0429","0.0446","","","","","","1.058","","","","has coordinates","227813","2020-10-21","18:00:00",""
"7701918","9.9499","0.0003","11.2978","0.0003","18.7038","0.0005","85.935","0.002","89.215","0.002","70.044","0.002","1971.19","0.1","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H44 N4 O12 Ru4 -","- C32 H44 N4 O12 Ru4 -","- C64 H88 N8 O24 Ru8 -","2","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","x-ray","0.71073","MoKα","","0.0359","0.0281","","","0.0627","0.0669","","","","","","1.101","","","","has coordinates,has disorder","227813","2020-10-21","18:00:00",""
"7701919","7.85222","0.00015","17.2607","0.0003","17.3176","0.0003","100.744","0.0016","102.219","0.0016","101.55","0.0016","2182.41","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 N2 O10 Ru3 -","- C16 H12 N2 O10 Ru3 -","- C64 H48 N8 O40 Ru12 -","4","2","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","x-ray","1.54184","CuKα","","0.0232","0.0216","","","0.051","0.0518","","","","","","1.096","","","","has coordinates","227813","2020-10-21","18:00:00",""
"7701920","8.33436","0.00008","12.16162","0.00011","32.9512","0.0003","90","","90.8531","0.0009","90","","3339.54","0.05","150","0.1","150","0.02","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N4 O11 Ru4 -","- C27 H32 N4 O11 Ru4 -","- C108 H128 N16 O44 Ru16 -","4","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","","1.54184","CuKα","","0.0244","0.0234","","","0.055","0.0555","","","","","","1.146","","","","has coordinates,has disorder","227813","2020-10-21","18:00:00",""
"7701921","8.49397","0.00009","22.8704","0.0002","12.27704","0.00014","90","","94.8759","0.001","90","","2376.31","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O10 Ru3 -","- C18 H16 N2 O10 Ru3 -","- C72 H64 N8 O40 Ru12 -","4","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","","1.54184","CuKα","","0.0224","0.0219","","","0.0561","0.0566","","","","","","1.157","","","","has coordinates","227813","2020-10-21","18:00:00",""
"7701922","13.975","0.0004","22.2953","0.0008","24.5968","0.0009","69.887","0.003","73.57","0.003","81.586","0.003","6892.3","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C142 H122 O22 P6 Ru6 -","- C130 H98 O19 P6 Ru6 -","- C260 H196 O38 P12 Ru12 -","2","1","","Ellul, Charles E.; Lowe, John P.; Mahon, Mary F.; Raithby, Paul R.; Whittlesey, Michael K.","[Ru<sub>3</sub>(6-NHC)(CO)<sub>10</sub>]: synthesis, characterisation and reactivity of rare 46-electron tri-ruthenium clusters.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4518","4523","10.1039/c8dt00189h","","x-ray","0.71073","MoKα","","0.1597","0.0971","","","0.206","0.2257","","","","","","1.031","","","","has coordinates","227813","2020-10-21","18:00:00",""
"7701923","13.88136","0.00009","10.43716","0.00008","15.24599","0.00011","90","","102.127","0.0007","90","","2159.57","0.03","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 Cl N2 O2 Ru S -","- C21 H31 Cl N2 O2 Ru S -","- C84 H124 Cl4 N8 O8 Ru4 S4 -","4","1","","Chen, Feng; Soldevila-Barreda, Joan J; Romero-Canelón, Isolda; Coverdale, James P. C.; Song, Ji-Inn; Clarkson, Guy J.; Kasparkova, Jana; Habtemariam, Abraha; Brabec, Viktor; Wolny, Juliusz A.; Schünemann, Volker; Sadler, Peter J.","Effect of sulfonamidoethylenediamine substituents in Ru<sup>II</sup> arene anticancer catalysts on transfer hydrogenation of coenzyme NAD<sup>+</sup> by formate.","Dalton transactions (Cambridge, England : 2003)","2018","47","21","7178","7189","10.1039/c8dt00438b","","x-ray","0.71073","MoKα","","0.0312","0.0273","","","0.0616","0.0629","","","","","","1.158","","","","has coordinates,has disorder","227821","2020-10-21","18:00:00",""
"7701924","10.7618","0.001","12.4539","0.0013","15.7229","0.0015","74.996","0.002","86.375","0.002","88.424","0.002","2031.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H61 Ca N3 O3 Si2 -","- C38 H61 Ca N3 O3 Si2 -","- C76 H122 Ca2 N6 O6 Si4 -","2","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0706","0.0488","","","0.113","0.1271","","","","","","1.015","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7701925","19.4603","0.0012","14.0786","0.0009","17.4538","0.0011","90","","98.258","0.001","90","","4732.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H62 Ca N4 O2 -","- C55 H62 Ca N4 O2 -","- C220 H248 Ca4 N16 O8 -","4","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0896","0.0532","","","0.11","0.1242","","","","","","1.017","","","","has coordinates,has disorder","287906","2023-11-30","18:39:49",""
"7701926","11.8448","0.0004","14.0854","0.0004","17.5399","0.0006","75.887","0.001","89.098","0.002","65.17","0.001","2563.14","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H76 Ca N2 O6 -","- C54 H76 Ca N2 O6 -","- C108 H152 Ca2 N4 O12 -","2","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.0591","0.0439","","","0.1079","0.1158","","","","","","1.022","","","","has coordinates,has disorder","287906","2023-11-30","18:39:49",""
"7701927","13.3721","0.0007","13.8868","0.0007","14.733","0.0008","106.009","0.001","105.598","0.001","100.522","0.001","2433.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Ca N2 O6 -","- C50 H70 Ca N2 O6 -","- C100 H140 Ca2 N4 O12 -","2","1","","Forosenko, Natalia V.; Basalov, Ivan V.; Cherkasov, Anton V.; Fukin, Georgy K.; Shubina, Elena S.; Trifonov, Alexander A.","Amido Ca(ii) complexes supported by Schiff base ligands for catalytic cross-dehydrogenative coupling of amines with silanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12570","12581","10.1039/c8dt01130c","","","0.71073","MoKα","","0.1071","0.0618","","","0.1125","0.1266","","","","","","1.017","","","","has coordinates","287906","2023-11-30","18:39:49",""
"7701928","4.203","0.001","8.045","0.002","14.929","0.005","90","","91.16","0.02","90","","504.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H7 O2 S2 Tl -","- C8 H7 O2 S2 Tl -","- C16 H14 O4 S4 Tl2 -","2","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71075","MoKα","","0.0431","0.0418","","","0.1453","0.1471","","","","","","1.113","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701929","16.485","0.0011","18.2914","0.001","12.6565","0.0008","90","","110.753","0.008","90","","3568.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cl3 O3 S6 Tl3 -","- C30 H24 Cl3 O3 S6 Tl3 -","- C120 H96 Cl12 O12 S24 Tl12 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.116","0.0721","","","0.181","0.2103","","","","","","0.969","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701930","4.1521","0.0004","8.1183","0.0007","30.921","0.004","90","","90","","90","","1042.28","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 O S3 Tl -","- C8 H7 O S3 Tl -","- C32 H28 O4 S12 Tl4 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0813","0.0692","","","0.1625","0.1703","","","","","","1.054","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701931","11.132","0.0007","11.5849","0.0007","12.709","0.0008","82.345","0.005","78.454","0.005","79.481","0.005","1570.87","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H26 O2 S4 Tl2 -","- C36 H26 O2 S4 Tl2 -","- C72 H52 O4 S8 Tl4 -","2","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0775","0.0536","","","0.1088","0.1193","","","","","","0.99","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701932","11.0854","0.0005","26.1784","0.0012","7.1879","0.0003","90","","90","","90","","2085.91","0.16","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C9 H8 N O S2 Tl -","- C9 H8 N O S2 Tl -","- C72 H64 N8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0365","0.0233","","","0.0506","0.0545","","","","","","0.991","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701933","17.9716","0.0009","6.0317","0.0002","22.2375","0.0011","90","","111.937","0.006","90","","2236","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 O2 S4 Tl2 -","- C20 H16 F2 O2 S4 Tl2 -","- C80 H64 F8 O8 S16 Tl8 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.1077","0.0768","","","0.2164","0.2463","","","","","","1.064","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701934","8.2435","0.0006","36.287","0.004","4.0103","0.0004","90","","90","","90","","1199.6","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H8 Cl O S2 Tl -","- C10 H8 Cl O S2 Tl -","- C40 H32 Cl4 O4 S8 Tl4 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.082","0.0634","","","0.1443","0.1601","","","","","","1.093","","","","has coordinates,has disorder","227840","2020-10-21","18:00:00",""
"7701935","31.252","0.005","11.1332","0.0014","6.9522","0.0007","90","","90","","90","","2418.9","0.5","150","2","150","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C10 H8 Br O S2 Tl -","- C10 H8 Br O S2 Tl -","- C80 H64 Br8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.1257","0.069","","","0.1265","0.1486","","","","","","0.953","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701936","10.968","0.0007","27.114","0.002","7.1755","0.0005","90","","90","","90","","2133.9","0.3","295","2","295","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C9 H8 N O S2 Tl -","- C9 H8 N O S2 Tl -","- C72 H64 N8 O8 S16 Tl8 -","8","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0479","0.0352","","","0.0758","0.0806","","","","","","1.088","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701937","8.6083","0.0007","9.1906","0.0008","10.2695","0.0008","78.227","0.007","68.521","0.007","78.296","0.007","732.79","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 O S2 -","- C18 H14 O S2 -","- C36 H28 O2 S4 -","2","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0503","0.0404","","","0.0982","0.1037","","","","","","1.044","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7701938","15.323","0.0007","14.3515","0.0006","7.4141","0.0004","90","","90","","90","","1630.42","0.13","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cu N3 O8.5 -","- C14 H12 Cu N3 O8.5 -","- C56 H48 Cu4 N12 O34 -","4","1","","Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; Gómez-García, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan","Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16102","16118","10.1039/c8dt02417k","","","0.71073","MoKα","","0.0361","0.0336","","0.0334","0.0329","0.0328","","","","","","1.046","","","","has coordinates","227841","2020-10-21","18:00:00",""
"7701939","18.503","0.003","17.141","0.003","8.8358","0.0013","90","","91.932","0.007","90","","2800.8","0.8","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cu N2 O6 -","- C14 H11.5416 Cu N2 O6 -","- C112 H92.3328 Cu8 N16 O48 -","8","2","","Saha, Sandeepta; Biswas, Niladri; Sasmal, Ashok; Gómez-García, Carlos J; Garribba, Eugenio; Bauza, Antonio; Frontera, Antonio; Pilet, Guillaume; Rosair, Georgina M.; Mitra, Samiran; Roy Choudhury, Chirantan","Effect of temperature and ligand protonation on the electronic ground state in Cu(ii) polymers having unusual secondary interactions: a magnetic and catechol oxidase study.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16102","16118","10.1039/c8dt02417k","","","0.71073","MoKα","","0.1022","0.0736","","","0.202","0.2216","","","","","","1.095","","","","has coordinates,has disorder","227841","2020-10-21","18:00:00",""
"7701940","12.33","0.003","10.154","0.003","6.0161","0.0015","90","","102.499","0.009","90","","735.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H5 O6 S Sb2 -","- C2 H5 O6 S Sb2 -","- C8 H20 O24 S4 Sb8 -","4","1","","Yin, Jinlin; Fei, Honghan","Cationic two-dimensional inorganic networks of antimony oxide hydroxide for Lewis acid catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4054","4058","10.1039/c8dt00188j","","","0.71073","MoKα","","0.0413","0.0354","","","0.0939","0.0962","","","","","","1.056","","","","has coordinates","227842","2020-10-21","18:00:00",""
"7702140","14.335","0.013","13.289","0.013","13.888","0.013","90","","90","","90","","2646","4","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr Dy3 N12 O10 -","- C30 H56 Cr Dy3 N12 O10 -","- C60 H112 Cr2 Dy6 N24 O20 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0365","0.0251","","","0.0533","0.058","","","","","","1.035","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702141","16.276","0.003","18.779","0.003","14.043","0.003","90","","90","","90","","4292.2","1.4","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe Ho3 N12 O9 -","- C30 H54 Fe Ho3 N12 O9 -","- C120 H216 Fe4 Ho12 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0269","0.0234","","","0.0529","0.0545","","","","","","1.077","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702142","24.591","0.009","12.863","0.005","16.091","0.006","90","","90","","90","","5090","3","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co Er3 N12 O10 -","- C30 H56 Co Er3 N12 O10 -","- C120 H224 Co4 Er12 N48 O40 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0414","0.0301","","","0.067","0.071","","","","","","1.061","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702143","16.239","0.004","18.833","0.004","14.043","0.003","90","","90","","90","","4294.8","1.7","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Er3 Fe N12 O9 -","- C30 H54 Er3 Fe N12 O9 -","- C120 H216 Er12 Fe4 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0335","0.0261","","","0.0545","0.0575","","","","","","1.031","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702144","24.568","0.014","12.893","0.007","16.127","0.009","90","","90","","90","","5108","5","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co N12 O10 Y3 -","- C30 H56 Co N12 O10 Y3 -","- C120 H224 Co4 N48 O40 Y12 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0397","0.0309","","","0.0772","0.0808","","","","","","1.051","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702145","16.325","0.002","18.887","0.003","14.075","0.002","90","","90","","90","","4339.7","1.1","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Dy3 Fe N12 O9 -","- C30 H54 Dy3 Fe N12 O9 -","- C120 H216 Dy12 Fe4 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0274","0.0226","","","0.0452","0.0467","","","","","","1.034","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702146","16.401","0.004","18.919","0.004","14.122","0.003","90","","90","","90","","4381.9","1.7","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe Gd3 N12 O9 -","- C30 H54 Fe Gd3 N12 O9 -","- C120 H216 Fe4 Gd12 N48 O36 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0369","0.0282","","","0.0586","0.0615","","","","","","1.051","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702147","24.606","0.005","12.873","0.002","16.083","0.003","90","","90","","90","","5094.3","1.6","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H56 Co Ho3 N12 O10 -","- C30 H56 Co Ho3 N12 O10 -","- C120 H224 Co4 Ho12 N48 O40 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0264","0.0208","","","0.0489","0.0511","","","","","","1.045","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702148","14.28","0.005","13.311","0.004","13.873","0.005","90","","90","","90","","2637","1.5","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr N12 O10 Tb3 -","- C30 H56 Cr N12 O10 Tb3 -","- C60 H112 Cr2 N24 O20 Tb6 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0193","0.018","","","0.0477","0.0488","","","","","","1.062","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702149","14.419","0.006","13.366","0.006","13.772","0.006","90","","90","","90","","2654","2","150","","150","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C30 H56 Cr Gd3 N12 O10 -","- C30 H56 Cr Gd3 N12 O10 -","- C60 H112 Cr2 Gd6 N24 O20 -","2","0.25","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.0186","0.0167","","","0.0417","0.0426","","","","","","1.05","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702150","16.359","0.003","18.917","0.003","14.106","0.002","90","","90","","90","","4365.3","1.2","150","","150","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H54 Fe N12 O9 Tb3 -","- C30 H54 Fe N12 O9 Tb3 -","- C120 H216 Fe4 N48 O36 Tb12 -","4","0.5","","Escobedo-Cruz, Francisco V; Hughbanks, Timothy","New coordination networks containing trinuclear lanthanide complexes and hexacyanometallates.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6831","6841","10.1039/c7dt02541f","","x-ray","0.71073","MoKα","","0.034","0.0259","","","0.0528","0.0558","","","","","","1.048","","","","has coordinates","235651","2020-10-21","18:00:00",""
"7702155","12.3985","0.0002","17.1412","0.0003","17.764","0.0003","87.7454","0.0008","75.9048","0.0007","85.8045","0.0007","3650.92","0.11","180.45","","180.45","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H66 Cl4 Gd2 N6 O8 -","- C88 H66 Cl4 Gd2 N6 O8 -","- C176 H132 Cl8 Gd4 N12 O16 -","2","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.0509","0.0362","","","0.0841","0.1042","","","","","","1.1553","","","","has coordinates,has disorder","235674","2020-10-21","18:00:00",""
"7702156","10.27","0.0004","42.4242","0.0019","17.3937","0.0008","90","","91.5379","0.0011","90","","7575.6","0.6","181.65","","181.65","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H62 N6 Nd2 O8 -","- C86 H62 N6 Nd2 O8 -","- C344 H248 N24 Nd8 O32 -","4","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.1043","0.0887","","","0.225","0.2438","","","","","","1.0729","","","","has coordinates","235674","2020-10-21","18:00:00",""
"7702157","17.3981","0.0017","20.431","0.0019","20.6803","0.0019","90","","96.1767","0.0013","90","","7308.4","1.2","180.65","","180.65","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H58 Lu2 N6 O7 -","- C85 H58 Lu2 N6 O7 -","- C340 H232 Lu8 N24 O28 -","4","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.1622","0.1491","","","0.4186","0.4465","","","","","","1.9867","","","","has coordinates","235674","2020-10-21","18:00:00",""
"7702158","17.4947","0.0006","20.5096","0.0007","20.6071","0.0007","90","","96.4934","0.0009","90","","7346.6","0.4","180.45","","180.45","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H58 N6 O7 Tb2 -","- C85 H58 N6 O7 Tb2 -","- C340 H232 N24 O28 Tb8 -","4","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.0607","0.0495","","","0.0954","0.1059","","","","","","1.078","","","","has coordinates","235674","2020-10-21","18:00:00",""
"7702159","17.4758","0.0009","20.4943","0.0011","20.6011","0.0011","90","","96.445","0.001","90","","7331.7","0.7","180.45","","180.45","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H58 Dy2 N6 O7 -","- C85 H58 Dy2 N6 O7 -","- C340 H232 Dy8 N24 O28 -","4","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.0874","0.0622","","","0.1037","0.1121","","","","","","1.0851","","","","has coordinates,has disorder","235674","2020-10-21","18:00:00",""
"7702160","10.3525","0.0001","17.6031","0.0002","18.9169","0.0002","82.693","0.0006","86.1741","0.0006","82.4147","0.0006","3385.05","0.06","180.65","","180.65","","","","","","","","","5","P -1","-P 1","2","","","","- C87 H66 Ho2 N6 O9 -","- C87 H66 Ho2 N6 O9 -","- C174 H132 Ho4 N12 O18 -","2","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.0427","0.0271","","","0.0561","0.0675","","","","","","1.1538","","","","has coordinates","235674","2020-10-21","18:00:00",""
"7702161","17.4078","0.0008","20.4235","0.001","20.6623","0.001","90","","96.2707","0.0008","90","","7302.1","0.6","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H58 N6 O7 Yb2 -","- C85 H58 N6 O7 Yb2 -","- C340 H232 N24 O28 Yb8 -","4","1","","Hardy, E. E.; Wyss, K. M.; Keller, R. J.; Gorden, J. D.; Gorden, A. E. V.","Tunable ligand emission of napthylsalophen triple-decker dinuclear lanthanide(iii) sandwich complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","4","1337","1346","10.1039/c7dt03733c","","","0.71073","MoKα","","0.057","0.0485","","","0.0831","0.0871","","","","","","1.0757","","","","has coordinates","235674","2020-10-21","18:00:00",""
"7702167","60.721","0.008","60.721","0.008","60.721","0.008","90","","90","","90","","223881","5","100","2","100.15","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C520 H328 N72 Zn12 -","- C520 H328 N72 Zn12 -","- C4160 H2624 N576 Zn96 -","8","0.0833333","","Chakraborty, Sourav; Endres, Kevin J.; Bera, Ranajit; Wojtas, Lukasz; Moorefield, Charles N.; Saunders, Mary Jane; Das, Neeladri; Wesdemiotis, Chrys; Newkome, George R.","Concentration dependent supramolecular interconversions of triptycene-based cubic, prismatic, and tetrahedral structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14189","14194","10.1039/c7dt04571a","","","0.44281","","","0.1002","0.0996","","","0.2558","0.2567","","","","","","1.097","","","","has coordinates","235687","2020-10-21","18:00:00",""
"7702168","9.2364","0.0006","9.8037","0.0009","11.1779","0.0009","77.02","0.007","76.609","0.007","74.818","0.007","935.68","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cl3 Er O14 -","- C9 H16 Cl3 Er O14 -","- C18 H32 Cl6 Er2 O28 -","2","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0582","0.0495","","","0.1185","0.1265","","","","","","1.058","","","","has coordinates","236820","2020-10-21","18:00:00",""
"7702169","9.9692","0.0002","13.3452","0.0003","19.2711","0.0004","90","","96.955","0.002","90","","2544.98","0.09","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl3 Er N3 O9 -","- C18 H18 Cl3 Er N3 O9 -","- C72 H72 Cl12 Er4 N12 O36 -","4","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0588","0.0404","","","0.085","0.0956","","","","","","1.059","","","","has coordinates","236820","2020-10-21","18:00:00",""
"7702170","9.6764","0.0002","16.2641","0.0003","24.5721","0.0004","90","","92.245","0.002","90","","3864.14","0.12","120","2","120","2","","","","","","","","7","I 1 2/m 1","-I 2y","12","","","","- C47 H37 Cl12 Er4 N6 O34 P2 -","- C47 H37 Cl12 Er4 N6 O34 P2 -","- C94 H74 Cl24 Er8 N12 O68 P4 -","2","0.25","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0758","0.0714","","","0.1757","0.1777","","","","","","1.364","","","","has coordinates,has disorder","236820","2020-10-21","18:00:00",""
"7702171","15.1269","0.0006","12.5708","0.0003","13.6461","0.0005","90","","114.803","0.005","90","","2355.54","0.17","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl3 Er N5 O12 -","- C14 H17 Cl3 Er N5 O12 -","- C56 H68 Cl12 Er4 N20 O48 -","4","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0494","0.0341","","","0.059","0.0657","","","","","","1.045","","","","has coordinates","236820","2020-10-21","18:00:00",""
"7702172","12.9164","0.0004","13.7903","0.0007","14.8136","0.0005","90","","108.296","0.003","90","","2505.22","0.18","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H36 Cl6 Er2 N4 O16 -","- C34 H36 Cl6 Er2 N4 O16 -","- C68 H72 Cl12 Er4 N8 O32 -","2","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0756","0.0619","","","0.1515","0.1623","","","","","","1.063","","","","has coordinates,has disorder","236820","2020-10-21","18:00:00",""
"7702173","9.7277","0.0005","10.5298","0.0005","12.7286","0.0006","78.483","0.004","73.193","0.004","83.957","0.004","1221.41","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl3 Er O10 S3 -","- C15 H17 Cl3 Er O10 S3 -","- C30 H34 Cl6 Er2 O20 S6 -","2","1","","Benmansour, Samia; Pérez-Herráez, Irene; Cerezo-Navarrete, Christian; López-Martínez, Gustavo; Martínez Hernández, Cristian; Gómez-García, Carlos J","Solvent-modulation of the structure and dimensionality in lanthanoid-anilato coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2018","47","19","6729","6741","10.1039/c8dt00143j","","","0.71073","MoKα","","0.0486","0.0408","","","0.0875","0.0936","","","","","","1.063","","","","has coordinates","236820","2020-10-21","18:00:00",""
"7702174","7.5041","0.0015","24.658","0.005","7.4996","0.0015","90","","90","","90","","1387.7","0.5","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 Cd2 Cl12 N4 -","- C8 Cd2 Cl12 N4 -","- C16 Cd4 Cl24 N8 -","2","0.125","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.0943","0.074","","","0.2072","0.2258","","","","","","1.079","","","","has coordinates","236825","2020-10-21","18:00:00",""
"7702175","7.9926","0.0016","24.108","0.005","7.956","0.0016","90","","90","","90","","1533","0.5","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br4 Cd Cl2 N2 -","- C4 H14 Br4 Cd Cl2 N2 -","- C16 H56 Br16 Cd4 Cl8 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.1261","0.0755","","","0.1846","0.2076","","","","","","1.005","","","","has coordinates,has disorder","236825","2020-10-21","18:00:00",""
"7702176","7.6707","0.001","24.6215","0.0019","7.5742","0.001","90","","90","","90","","1430.5","0.3","293","2","293","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br Cd Cl5 N2 -","- C4 H14 Br Cd Cl5 N2 -","- C16 H56 Br4 Cd4 Cl20 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.0813","0.0554","","","0.1266","0.1389","","","","","","1.042","","","","has coordinates,has disorder","236825","2020-10-21","18:00:00",""
"7702177","7.649","0.011","24.42","0.04","7.579","0.01","90","","90","","90","","1416","4","173","2","173","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H14 Br Cd Cl5 N2 -","- C4 H14 Br Cd Cl5 N2 -","- C16 H56 Br4 Cd4 Cl20 N8 -","4","0.5","","Chen, Hai-Peng; Shi, Ping-Ping; Wang, Zhong-Xia; Gao, Ji-Xing; Zhang, Wan-Ying; Chen, Cheng; Tang, Yuan-Yuan; Fu, Da-Wei","Tunable dielectric transitions in layered organic-inorganic hybrid perovskite-type compounds: [NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>Cl]<sub>2</sub>[CdCl<sub>4-4x</sub>Br<sub>4x</sub>] (x = 0, 1/4, 1).","Dalton transactions (Cambridge, England : 2003)","2018","47","20","7005","7012","10.1039/c8dt00353j","","","0.71073","MoKα","","0.0966","0.0826","","","0.2524","0.2938","","","","","","1.193","","","","has coordinates","236825","2020-10-21","18:00:00",""
"7702178","18.5006","0.0008","20.7775","0.001","30.929","0.0013","90","","102.732","0.0014","90","","11596.7","0.9","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H54 Mn3 N6 -","- C60 H54 Mn3 N6 -","- C480 H432 Mn24 N48 -","8","1","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","x-ray","0.71073","MoKα","","0.0391","0.03","","","0.0722","0.0761","","","","","","1.021","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702179","11.7577","0.0014","11.0932","0.0014","15.441","0.002","90","","109.97","0.005","90","","1892.9","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Mn N2 -","- C22 H22 Mn N2 -","- C88 H88 Mn4 N8 -","4","1","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0426","0.0344","","","0.0901","0.0968","","","","","","1.053","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702180","11.0154","0.0006","26.5037","0.0015","11.5756","0.0007","90","","90","","90","","3379.5","0.3","90","","90","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H18 Mn N2 -","- C22 H18 Mn N2 -","- C176 H144 Mn8 N16 -","8","2","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.06","0.045","","","0.0984","0.1045","","","","","","1.073","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702181","14.7987","0.0008","16.8841","0.0009","8.5878","0.0006","90","","90","","90","","2145.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H52 Mn2 N4 O -","- C48 H52 Mn2 N4 O -","- C96 H104 Mn4 N8 O2 -","2","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0429","0.0349","","","0.0894","0.0935","","","","","","1.112","","","","has coordinates,has disorder","236827","2020-10-21","18:00:00",""
"7702182","7.8832","0.0007","17.663","0.0019","12.5197","0.0012","90","","90","","90","","1743.3","0.3","223","2","223","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C20 H20 Mn N2 -","- C20 H20 Mn N2 -","- C80 H80 Mn4 N8 -","4","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0511","0.0378","","","0.0869","0.0925","","","","","","1.029","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702183","14.905","0.002","16.42","0.003","16.608","0.003","94.364","0.004","91.606","0.004","115.268","0.003","3656.8","1.1","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C21.75 H21.75 Mn0.75 N2.25 O0.75 -","- C21.75 H21.75 Mn0.75 N2.25 O0.75 -","- C174 H174 Mn6 N18 O6 -","8","4","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","x-ray","0.71073","MoKα","","0.0822","0.0499","","","0.1143","0.1312","","","","","","1.016","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702184","12.1372","0.0007","12.1372","0.0007","21.6505","0.0014","90","","90","","90","","3189.4","0.3","223","2","223","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C34 H26 Mn N2 -","- C34 H26 Mn N2 -","- C136 H104 Mn4 N8 -","4","0.5","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0409","0.037","","","0.1084","0.1129","","","","","","1.063","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702185","18.0321","0.0007","23.698","0.0009","13.6298","0.0005","90","","100.457","0.002","90","","5727.6","0.4","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Mn N2 -","- C24 H22 Mn N2 -","- C192 H176 Mn8 N16 -","8","2","","Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.","Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5171","5180","10.1039/C8DT00537K","","","0.71073","MoKα","","0.0522","0.0352","","","0.0903","0.0969","","","","","","1.078","","","","has coordinates","236827","2020-10-21","18:00:00",""
"7702186","6.5342","0.0003","14.4355","0.0008","11.2808","0.0007","90","","90.659","0.005","90","","1063.98","0.1","293","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C0.727 H3.273 B1.818 Cd0.364 N0.727 O3.273 -","- C0.727273 H3.27273 B1.81818 Cd0.363636 N0.727273 O3.27273 -","- C8 H36 B20 Cd4 N8 O36 -","11","2.75","","Zhou, Kang; Zhang, Wen-Jin; Luo, Yuan-Zhang; Pan, Chun-Yang","Photoluminescent carbon dots based on a rare 3D inorganic-organic hybrid cadmium borate crystal.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7407","7411","10.1039/c8dt01077c","","","0.71073","MoKα","","0.0575","0.0431","","","0.0936","0.1024","","","","","","1.0739","","","","has coordinates","236837","2020-10-21","18:00:00",""
"7702187","11.0644","0.0007","11.2837","0.0007","13.1885","0.0009","90.233","0.001","93.362","0.001","103.812","0.001","1595.91","0.18","90","2","90.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Au2 Cl2 P2 -","- C34 H32 Au2 Cl2 P2 -","- C68 H64 Au4 Cl4 P4 -","2","1","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0554","0.0532","","","0.1341","0.1354","","","","","","1.0296","","","","has coordinates","236839","2020-10-21","18:00:00",""
"7702188","20.5328","0.0016","19.579","0.0015","9.3602","0.0007","90","","90","","90","","3762.9","0.5","90","2","90","2","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C42 H48 Au Cl P2 -","- C42 H48 Au Cl P2 -","- C168 H192 Au4 Cl4 P8 -","4","1","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0124","0.0119","","","0.0293","0.0294","","","","","","0.931","","","","has coordinates","236839","2020-10-21","18:00:00",""
"7702189","20.304","0.002","9.711","0.0011","19.713","0.002","90","","90","","90","","3886.9","0.7","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 Au I P2 -","- C42 H48 Au I P2 -","- C168 H192 Au4 I4 P8 -","4","1","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0183","0.018","","","0.043","0.0431","","","","","","1.062","","","","has coordinates","236839","2020-10-21","18:00:00",""
"7702190","8.9273","0.0011","17.009","0.002","20.077","0.003","107.72","0.002","92.63","0.002","92.46","0.002","2895.7","0.7","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Au Cl P2 -","- C34 H32 Au Cl P2 -","- C136 H128 Au4 Cl4 P8 -","4","2","","Osawa, Masahisa; Aino, Masa-Aki; Nagakura, Takaki; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(i) complexes with diphosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8229","8239","10.1039/c8dt01097h","","","0.71073","MoKα","","0.0212","0.0194","","","0.0494","0.054","","","","","","1.1342","","","","has coordinates,has disorder","236839","2020-10-21","18:00:00",""
"7702191","14.5653","0.0003","21.0484","0.0005","23.914","0.0005","90","","90","","90","","7331.5","0.3","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H12 In N0 O10 S -","- C22 H12 In O10 S -","- C176 H96 In8 O80 S8 -","8","0.5","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","0.71073","MoKα","","0.1408","0.0876","","","0.2662","0.2852","","","","","","1.025","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702192","15.0622","0.0004","20.9202","0.0006","23.4817","0.0007","90","","90","","90","","7399.2","0.4","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C22 H12 In N O10 S -","- C22 H12 In N O10 S -","- C176 H96 In8 N8 O80 S8 -","8","0.5","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","0.71073","MoKα","","0.1407","0.0501","","","0.1121","0.1449","","","","","","0.962","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702193","7.2971","0.0002","12.0993","0.0003","21.0277","0.0005","78.691","0.001","85.139","0.001","84.475","0.001","1807.9","0.08","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 In O12 S2 -","- C28 H16 In O12 S2 -","- C56 H32 In2 O24 S4 -","2","1","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","0.71073","MoKα","","0.0353","0.028","","","0.0654","0.0679","","","","","","1.018","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702194","29.6876","0.0005","33.7481","0.0005","9.4487","0.0001","90","","90","","90","","9466.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C70 H40 Cl2 In3 O20 -","- C70 H40 Cl2 In3 O20 -","- C280 H160 Cl8 In12 O80 -","4","1","","Li, Yuan-Han; Wang, Sue-Lein; Su, Yu-Chia; Ko, Bao-Tsan; Tsai, Chen-Yen; Lin, Chia-Her","Microporous 2D indium metal-organic frameworks for selective CO<sub>2</sub> capture and their application in the catalytic CO<sub>2</sub>-cycloaddition of epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9474","9481","10.1039/c8dt01405a","","","1.54178","CuKα","","0.0737","0.0656","","","0.2044","0.2162","","","","","","1.06","","","","has coordinates","236841","2020-10-21","18:00:00",""
"7702195","15.3342","0.0003","17.0365","0.0003","20.3884","0.0004","90","","111.213","0.002","90","","4965.39","0.18","100","2","100","2","","","","","","","","8","I 1 2/c 1","-I 2yc","15","Dinuclear cobalt(II) complex of rearranged ligand","","","- C32 H32 B4 Br4 Co2 F12 N8 O4 -","- C32 H32 B4 Br4 Co2 F12 N8 O4 -","- C128 H128 B16 Br16 Co8 F48 N32 O16 -","4","0.5","","Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally","Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11749","11759","10.1039/c8dt01502c","","","1.5418","CuKα","","0.0738","0.0728","","","0.1927","0.1933","","","","","","1.135","","","","has coordinates","236842","2020-10-21","18:00:00",""
"7702196","9.6911","0.0004","11.6204","0.0004","22.6509","0.0007","90","","93.838","0.003","90","","2545.1","0.16","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","anticipated monometallic cobalt(II) complex","","","- C17 H22 B2 Br2 Co F8 N4 O3 -","- C17 H22 B2 Br2 Co F8 N4 O3 -","- C68 H88 B8 Br8 Co4 F32 N16 O12 -","4","1","","Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally","Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11749","11759","10.1039/c8dt01502c","","","1.54184","CuKα","","0.0578","0.0515","","","0.1374","0.1434","","","","","","1.045","","","","has coordinates,has disorder","236842","2020-10-21","18:00:00",""
"7702197","15.1883","0.0011","16.7251","0.0009","20.209","0.002","90","","110.296","0.01","90","","4814.9","0.7","100","2","100","2","","","","","","","","8","I 1 2/c 1","-I 2yc","15","Dinuclear cobalt(II) complex of rearranged ligand","","","- C32 H32 B4 Cl4 Co2 F12 N8 O4 -","- C32 H32 B4 Cl4 Co2 F12 N8 O4 -","- C128 H128 B16 Cl16 Co8 F48 N32 O16 -","4","0.5","","Karabulut, Fabrice N. H.; Feltham, Humphrey L. C.; Brooker, Sally","Substituents drive ligand rearrangements, giving dinuclear rather than mononuclear complexes, and tune Co<sup>II/III</sup> redox potential.","Dalton transactions (Cambridge, England : 2003)","2018","47","34","11749","11759","10.1039/c8dt01502c","","","1.54184","CuKα","","0.113","0.0772","","","0.2062","0.2278","","","","","","1.046","","","","has coordinates","236842","2020-10-21","18:00:00",""
"7702198","6.259","0.003","10.267","0.005","14.832","0.008","94.749","0.017","94.1","0.02","102.13","0.017","924.8","0.8","100","2","99.92","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H44 N4 -","- C47 H44 N4 -","- C47 H44 N4 -","1","0.5","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0545","0.0464","","","0.1265","0.1342","","","","","","1.029","","","","has coordinates,has disorder","236845","2020-10-21","18:00:00",""
"7702199","6.1199","0.0002","11.6124","0.0004","28.9629","0.0009","90","","92.694","0.002","90","","2056.02","0.12","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H56 N4 O6 -","- C48 H56 N4 O6 -","- C96 H112 N8 O12 -","2","0.5","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0581","0.0489","","","0.1325","0.1404","","","","","","1.034","","","","has coordinates,has disorder","236845","2020-10-21","18:00:00",""
"7702200","5.5946","0.0003","11.5848","0.0006","18.1469","0.0009","84.942","0.001","81.704","0.001","88.7","0.002","1159.24","0.1","120","2","119.99","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H50 N6 O8 S4 -","- C46 H50 N6 O8 S4 -","- C46 H50 N6 O8 S4 -","1","0.5","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","0.71073","MoKα","","0.0708","0.0444","","","0.1011","0.1114","","","","","","1.036","","","","has coordinates","236845","2020-10-21","18:00:00",""
"7702201","10.7985","0.0003","29.4144","0.0009","25.9424","0.0008","90","","90","","90","","8240.1","0.4","100","2","99.99","","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C80 H72 Ag F6 N8 Sb -","- C80 H72 Ag F6 N8 Sb -","- C320 H288 Ag4 F24 N32 Sb4 -","4","0.25","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0915","0.0795","","","0.2415","0.2591","","","","","","1.043","","","","has coordinates","236845","2020-10-21","18:00:00",""
"7702202","13.472","0.0003","13.472","0.0003","100.2746","0.0019","90","","90","","120","","15761.1","0.6","100","2","99.99","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H24 Cd N6 O4 -","- C38 H24 Cd N6 O4 -","- C456 H288 Cd12 N72 O48 -","12","1","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0614","0.055","","","0.1415","0.1458","","","","","","1.037","","","","has coordinates,has disorder","236845","2020-10-21","18:00:00",""
"7702203","22.5696","0.0008","22.7345","0.0008","22.7582","0.0008","89.484","0.002","75.944","0.002","87.829","0.002","11319.7","0.7","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C120 H108 N6 O13 Zn4 -","- C120 H108 N6 O13 Zn4 -","- C240 H216 N12 O26 Zn8 -","2","1","","Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur","Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10080","10092","10.1039/c8dt01784k","","","1.54178","CuKα","","0.0886","0.07","","","0.2148","0.2307","","","","","","0.988","","","","has coordinates","236845","2020-10-21","18:00:00",""
"7702204","11.6984","0.0009","6.5177","0.0005","13.3114","0.0009","90","","96.418","0.002","90","","1008.59","0.13","","","149.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Ghosh, Milan; Ta, Sabyasachi; Sanmartín Matalobos, Jesús; Das, Debasis","Azine based smart probe for optical recognition and enrichment of Mo(vi ).","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11084","11090","10.1039/c8dt01812j","","","0.71073","MoKα","","0.0525","0.0403","","","0.1059","0.1163","","","","","","1.0435","","","","has coordinates","236847","2020-10-21","18:00:00",""
"7702205","12.729","0.003","12.785","0.003","12.973","0.003","61.776","0.012","81.52","0.013","74.814","0.013","1794.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 Mo2 N6 O10 -","- C33 H47 Mo2 N6 O10 -","- C66 H94 Mo4 N12 O20 -","2","1","","Ghosh, Milan; Ta, Sabyasachi; Sanmartín Matalobos, Jesús; Das, Debasis","Azine based smart probe for optical recognition and enrichment of Mo(vi ).","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11084","11090","10.1039/c8dt01812j","","","0.71073","MoKα","","0.1128","0.066","","","0.1692","0.1955","","","","","","1.05","","","","has coordinates,has disorder","236847","2020-10-21","18:00:00",""
"7702206","11.5588","0.0004","10.175","0.0003","26.5199","0.0009","90","","91.946","0.001","90","","3117.23","0.18","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 B N3 O2 -","- C33 H42 B N3 O2 -","- C132 H168 B4 N12 O8 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.0997","0.0846","","","0.2306","0.2396","","","","","","1.126","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702207","17.524","0.006","23.041","0.008","24.556","0.008","90","","90","","90","","9915","6","100.1","0.1","100.1","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C106 H147 Cl4 N6 Ni2 O7 -","- C106 H147 Cl4 N6 Ni2 O7 -","- C424 H588 Cl16 N24 Ni8 O28 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.1063","0.0593","","","0.1261","0.1444","","","","","","0.995","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702208","16.956","0.006","19.724","0.005","23.052","0.005","90","","90","","90","","7710","4","100","","100","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C78 H86 Cl4 N12 O Zn2 -","- C78 H86 Cl4 N12 O Zn2 -","- C312 H344 Cl16 N48 O4 Zn8 -","4","0.5","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.1434","0.0961","","","0.2159","0.2428","","","","","","1.072","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702209","10.6256","0.0016","21.043","0.003","23.059","0.004","90","","93.035","0.002","90","","5148.6","1.4","100","2","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 N6 -","- C60 H64 N6 -","- C240 H256 N24 -","4","0.5","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.048","0.0423","","","0.1054","0.1104","","","","","","1.047","","","","has coordinates","236848","2020-10-21","18:00:00",""
"7702210","12.4198","0.0002","11.2441","0.0001","25.615","0.0003","90","","102.088","0.001","90","","3497.81","0.08","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N6 -","- C40 H50 N6 -","- C160 H200 N24 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","1.54178","CuKα","","0.0413","0.0377","","","0.1003","0.1038","","","","","","1.042","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702211","21.4563","0.0015","12.4924","0.0009","23.337","0.0017","90","","101.883","0.001","90","","6121.2","0.8","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H68 Cl4 N6 O Zn2 -","- C61 H68 Cl4 N6 O Zn2 -","- C244 H272 Cl16 N24 O4 Zn8 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.0784","0.0437","","","0.0826","0.0943","","","","","","1.016","","","","has coordinates","236848","2020-10-21","18:00:00",""
"7702212","30.401","0.003","16.5325","0.0015","36.065","0.003","90","","103.547","0.001","90","","17622","3","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76.5 H78 Cl F12.5 N6 O12.5 S4 Zn2 -","- C76.5 H79 Cl F12 N6 O13 S4 Zn2 -","- C612 H632 Cl8 F96 N48 O104 S32 Zn16 -","8","2","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.1142","0.0856","","","0.1809","0.1945","","","","","","1.085","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702213","10.1202","0.0011","13.9999","0.0015","31.6","0.003","90","","91.6246","0.0014","90","","4475.3","0.8","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 Cl4 N6 O Zn2 -","- C44 H58 Cl4 N6 O Zn2 -","- C176 H232 Cl16 N24 O4 Zn8 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.0353","0.0309","","","0.0729","0.0755","","","","","","1.05","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702214","11.5741","0.0005","17.1983","0.0011","14.7782","0.0008","90","","105.099","0.005","90","","2840.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 Cd N3 O7 -","- C32 H21 Cd N3 O7 -","- C128 H84 Cd4 N12 O28 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1148","0.0586","","","0.0982","0.1359","","","","","","1.029","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702215","7.55473","0.0002","14.2041","0.0005","16.6418","0.0006","82.805","0.003","81.78","0.003","87.608","0.002","1753.02","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cd3 N2 O18 -","- C34 H32 Cd3 N2 O18 -","- C68 H64 Cd6 N4 O36 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.0371","0.0283","","","0.0644","0.0714","","","","","","1.043","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702216","13.1098","0.0006","16.5206","0.001","19.7651","0.0013","98.376","0.005","93.032","0.004","112.297","0.005","3891","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 Cd6 N8 O39 -","- C72 H62 Cd6 N8 O39 -","- C144 H124 Cd12 N16 O78 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1042","0.057","","","0.0718","0.0955","","","","","","1.082","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702217","16.712","0.002","22.6392","0.0018","17.8599","0.0011","90","","90.388","0.009","90","","6757.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H46 Cd3 N6 O18 -","- C66 H46 Cd3 N6 O18 -","- C264 H184 Cd12 N24 O72 -","4","0.5","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1363","0.0673","","","0.0872","0.1039","","","","","","1.056","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702218","31.7768","0.0012","10.3456","0.0003","35.2605","0.0016","90","","102.63","0.004","90","","11311.4","0.8","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C68 H44 Cd3 N6 O15 -","- C68 H44 Cd3 N6 O15 -","- C544 H352 Cd24 N48 O120 -","8","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1147","0.0575","","","0.0729","0.0974","","","","","","1.037","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702219","17.0207","0.0006","21.6104","0.0006","17.5387","0.0005","90","","92.884","0.003","90","","6443","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H50 Cd3 N6 O20 -","- C60 H50 Cd3 N6 O20 -","- C240 H200 Cd12 N24 O80 -","4","0.5","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1004","0.0583","","","0.1184","0.1438","","","","","","0.957","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702220","18.4315","0.0007","8.0099","0.0003","16.4703","0.0005","90","","90","","90","","2431.58","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 Cd N3 O9 -","- C25 H21 Cd N3 O9 -","- C100 H84 Cd4 N12 O36 -","4","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.0398","0.0343","","","0.0853","0.0921","","","","","","1.043","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702221","9.5391","0.0006","17.7666","0.0013","20.4954","0.0012","107.862","0.006","99.739","0.005","101.247","0.006","3143.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H52 Cd3 N6 O19 -","- C62 H52 Cd3 N6 O19 -","- C124 H104 Cd6 N12 O38 -","2","1","","Gu, Jin-Zhong; Cai, Yan; Wen, Min; Shi, Zi-Fa; Kirillov, Alexander M.","A new series of Cd(ii) metal-organic architectures driven by soft ether-bridged tricarboxylate spacers: synthesis, structural and topological versatility, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14327","14339","10.1039/c8dt02467g","","","0.71073","MoKα","","0.1306","0.0705","","","0.139","0.1777","","","","","","1.013","","","","has coordinates","236850","2020-10-21","18:00:00",""
"7702222","9.0261","0.0007","11.1233","0.0009","16.9387","0.0014","72.137","0.004","80.855","0.004","73.704","0.005","1548.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 O2 P2 Ru S4 -","- C31 H32 O2 P2 Ru S4 -","- C62 H64 O4 P4 Ru2 S8 -","2","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.038","0.0282","","","0.055","0.0592","","","","","","1.059","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702223","11.301","0.002","13.968","0.003","20.344","0.003","90","","90","","90","","3211.3","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O2 P2 Ru S4 -","- C32 H32 O2 P2 Ru S4 -","- C128 H128 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0685","0.0472","","","0.0708","0.0779","","","","","","0.98","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702224","10.8511","0.0006","11.1779","0.0007","17.2512","0.001","82.595","0.004","73.977","0.003","73.322","0.003","1923.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H38 O3 P2 Ru S4 -","- C42 H38 O3 P2 Ru S4 -","- C84 H76 O6 P4 Ru2 S8 -","2","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0499","0.0336","","","0.0717","0.077","","","","","","1.067","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702225","12.8809","0.001","16.5329","0.0011","16.3601","0.0009","90","","105.668","0.003","90","","3354.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O2 P2 Ru S4 -","- C34 H38 O2 P2 Ru S4 -","- C136 H152 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0397","0.0302","","","0.0638","0.0678","","","","","","1.046","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702226","11.3144","0.0003","11.4472","0.0003","13.6613","0.0004","94.926","0.002","93.661","0.002","97.305","0.002","1743.53","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 O2 P2 Ru S4 -","- C35 H40 O2 P2 Ru S4 -","- C70 H80 O4 P4 Ru2 S8 -","2","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0746","0.0407","","","0.0762","0.0861","","","","","","0.994","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702227","11.3572","0.0007","11.7146","0.001","13.7193","0.0012","95.488","0.006","105.893","0.005","96.247","0.005","1730","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 O2 P2 Ru S4 -","- C36 H34 O2 P2 Ru S4 -","- C72 H68 O4 P4 Ru2 S8 -","2","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0718","0.0476","","","0.0852","0.0935","","","","","","0.99","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702228","20.1261","0.0007","21.5909","0.0008","16.4408","0.0007","90","","90","","90","","7144.2","0.5","100","2","100","2","","","","","","","","7","A e a 2","A 2 -2ab","41","","","","- C67 H74 Cl2 O4 P4 Ru2 S8 -","- C67 H74 Cl2 O4 P4 Ru2 S8 -","- C268 H296 Cl8 O16 P16 Ru8 S32 -","4","0.5","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.7107","MoKα","","0.0689","0.0449","","","0.092","0.1025","","","","","","1.012","","","","has coordinates,has disorder","236852","2020-10-21","18:00:00",""
"7702229","19.13","0.0009","9.7269","0.0003","22.0104","0.001","90","","115.313","0.002","90","","3702.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Fe O2 P2 Ru S4 -","- C40 H38 Fe O2 P2 Ru S4 -","- C160 H152 Fe4 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.7107","MoKα","","0.0652","0.0409","","","0.0745","0.083","","","","","","1.017","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702230","11.1196","0.0006","14.0834","0.001","20.6451","0.0012","90","","90","","90","","3233.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O2 P2 Ru S4 -","- C32 H34 O2 P2 Ru S4 -","- C128 H136 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0573","0.0438","","","0.0687","0.0731","","","","","","0.996","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702231","14.541","0.006","14.765","0.006","20.123","0.006","101.991","0.007","90.788","0.01","118.813","0.005","3670","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Co4 N10 O10 -","- C76 H78 Co4 N10 O10 -","- C152 H156 Co8 N20 O20 -","2","1","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.0779","0.0493","","","0.1146","0.1335","","","","","","1.0188","","","","has coordinates","236858","2020-10-21","18:00:00",""
"7702232","24.96","0.003","10.0567","0.0012","30.999","0.004","90","","102.704","0.0015","90","","7590.7","1.6","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Co4 N6 O14 -","- C78 H84 Co4 N6 O14 -","- C312 H336 Co16 N24 O56 -","4","0.5","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.074","0.0481","","","0.1096","0.1264","","","","","","1.0157","","","","has coordinates","236858","2020-10-21","18:00:00",""
"7702233","10.3616","0.001","11.6941","0.0011","23.226","0.002","90","","100.813","0.005","90","","2764.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H54 Co4 N6 O10 -","- C60 H54 Co4 N6 O10 -","- C120 H108 Co8 N12 O20 -","2","1","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.0878","0.0491","","","0.0893","0.1019","","","","","","1.0342","","","","has coordinates","236858","2020-10-21","18:00:00",""
"7702234","20.268","0.002","18.2285","0.0017","21.168","0.002","90","","90.683","0.006","90","","7820.1","1.3","100","2","100.1","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C78 H86 Co4 N6 O14 -","- C78 H86 Co4 N6 O14 -","- C312 H344 Co16 N24 O56 -","4","1","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.2285","0.136","","","0.3441","0.3922","","","","","","1.2155","","","","has coordinates","236858","2020-10-21","18:00:00",""
"7702235","19.9171","0.001","16.047","0.0008","18.9243","0.0009","90","","99.304","0.003","90","","5968.8","0.5","100","2","100.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.922 H70 Co2 N6 O7 -","- C65.92 H70 Co2 N6 O7 -","- C263.68 H280 Co8 N24 O28 -","4","1","","Hollingsworth, Ryan L.; Beattie, Jeffrey W.; Grass, Amanda; Martin, Philip D.; Groysman, Stanislav; Lord, Richard L.","Reactions of dicobalt octacarbonyl with dinucleating and mononucleating bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15353","15363","10.1039/c8dt03405b","","","0.71073","MoKα","","0.0934","0.0583","","","0.1454","0.1668","","","","","","1.0506","","","","has coordinates,has disorder","236858","2020-10-21","18:00:00",""
"7702236","14.7045","0.0006","14.7045","0.0006","38.106","0.005","90","","90","","120","","7135.5","1","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H112 Cl4 Cr2 Mn5 N12 O38 -","- C72 H72 Cl4 Cr1.9998 Mn5.0002 N12 O28 -","- C216 H216 Cl12 Cr5.9994 Mn15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.0797","0.0737","","","0.2045","0.211","","","","","","1.074","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702237","14.5052","0.0012","25.0735","0.0019","25.095","0.005","90","","90.268","0.013","90","","9127","2","120.01","0.1","120.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H72 Cl2 Cr2 Cu5 N14 O26 -","- C72 H72 Cl2 Cr2 Cu5 N14 O26 -","- C288 H288 Cl8 Cr8 Cu20 N56 O104 -","4","0.5","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.3043","0.2142","","","0.5029","0.5502","","","","","","1.446","","","","has coordinates","236860","2020-10-21","18:00:00",""
"7702238","27.8468","0.0006","27.8468","0.0006","17.6945","0.0007","90","","90","","120","","11882.8","0.6","120.01","0.1","120.01","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C93 H168 Al6 Cl6 Cu7 N14 O75 -","- C72 H84 Al6 Cl6 Cu7 N13.9998 O53.9994 -","- C216 H252 Al18 Cl18 Cu21 N41.9994 O161.998 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0642","0.0561","","","0.1635","0.1697","","","","","","1.055","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702239","14.6087","0.0003","14.6087","0.0003","37.9381","0.0019","90","","90","","120","","7011.8","0.4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Cl4 Cr2 Fe5 N12 O37 -","- C72 H72 Cl4 Cr1.9998 Fe5.0002 N12 O28 -","- C216 H216 Cl12 Cr5.9994 Fe15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","1.54184","CuKα","","0.0822","0.0712","","","0.2052","0.2197","","","","","","1.052","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702240","14.6812","0.0005","14.6812","0.0005","38.0235","0.0014","90","","90","","120","","7097.5","0.4","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Al2 Cl4 Co5 N12 O37 -","- C72 H72 Al1.9998 Cl4 Co5.0002 N12 O28 -","- C216 H216 Al5.9994 Cl12 Co15.0006 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0726","0.0623","","","0.1289","0.1339","","","","","","1.136","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702241","14.7268","0.0002","14.7268","0.0002","38.1319","0.0008","90","","90","","120","","7162","0.2","120","","120","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C81 H108 Cl4 Co5 Cr2 N12 O37 -","- C72 H72 Cl4 Co5.0002 Cr1.9998 N12 O28 -","- C216 H216 Cl12 Co15.0006 Cr5.9994 N36 O84 -","3","0.166667","","Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.","Cages on a plane: a structural matrix for molecular 'sheets'.","Dalton transactions (Cambridge, England : 2003)","2018","47","43","15530","15537","10.1039/c8dt03793k","","x-ray","0.71073","MoKα","","0.0521","0.0425","","","0.0883","0.0914","","","","","","1.069","","","","has coordinates,has disorder","236860","2020-10-21","18:00:00",""
"7702909","11.2941","0.0005","11.2941","0.0005","11.2941","0.0005","90","","90","","90","","1440.64","0.11","298","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B3 H12 Pr -","- B3.00003 H12.0001 Pr -","- B24.0002 H96.001 Pr8 -","8","0.333333","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","3.1699","","","","","","","","has coordinates","244804","2020-10-21","18:00:00",""
"7702910","11.47111","","11.47111","","11.47111","","90","","90","","90","","1509.44","","298","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Pr -","- B3.00048 H12.0019 Pr -","- B24.0038 H96.0154 Pr8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","12.6471","","","","","","","","has coordinates","244804","2020-10-21","18:00:00",""
"7702911","11.1386","0.001","11.1386","0.001","11.1386","0.001","90","","90","","90","","1381.9","0.2","542","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Nd -","- B2.99976 H11.999 Nd -","- B23.9981 H95.9923 Nd8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.1299","","","","","","","","has coordinates","244805","2020-10-21","18:00:00",""
"7702912","11.2034","0.0005","11.2034","0.0005","11.2034","0.0005","90","","90","","90","","1406.21","0.11","298","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- B3 H12 Nd -","- B3.00003 H12.0001 Nd -","- B24.0002 H96.001 Nd8 -","8","0.333333","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.0926","","","","","","","","has coordinates","244806","2020-10-21","18:00:00",""
"7702913","11.3903","0.0018","11.3903","0.0018","11.3903","0.0018","90","","90","","90","","1477.8","0.4","298","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Nd -","- B2.99976 H11.999 Nd -","- B23.9981 H95.9923 Nd8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","2.441","","","","","","","","has coordinates","244806","2020-10-21","18:00:00",""
"7702914","11.14402","","11.14402","","11.14402","","90","","90","","90","","1383.97","","463","","","","","","","","","","","3","F m -3 c","-F 4a 2 3","226","","","","- B3 H12 Pr -","- B2.99976 H11.999 Pr -","- B23.9981 H95.9923 Pr8 -","8","0.0416667","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","5.9243","","","","","","","","has coordinates","244807","2020-10-21","18:00:00",""
"7702915","7.46787","","7.46787","","19.95542","","90","","90","","120","","963.796","","463","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B3 D12 Pr -","- B2.24995 D8.99982 Pr0.75 -","- B17.9996 D71.9986 Pr6 -","8","0.222222","","Payandeh GharibDoust, SeyedHosein; Heere, Michael; Nervi, Carlo; Sørby, Magnus H; Hauback, Bjørn C; Jensen, Torben R.","Synthesis, structure, and polymorphic transitions of praseodymium(iii) and neodymium(iii) borohydride, Pr(BH<sub>4</sub>)<sub>3</sub> and Nd(BH<sub>4</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8307","8319","10.1039/c8dt00118a","powder diffraction","","","X-ray","","","","","","","","","25.429","","","","","","","","has coordinates","244808","2020-10-21","18:00:00",""
"8000265","4.5671","0.0002","17.5924","0.0009","18.2091","0.0009","96.309","0.004","92.989","0.004","90.443","0.004","1452.06","0.12","300.5","0.5","300.5","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 N2 O6 -","- C40 H26 N2 O6 -","- C80 H52 N4 O12 -","2","1","","Zhou, Jiadong; Zhang, Wenqiang; Jiang, Xiao-Fang; Wang, Cong; Zhou, Xuehong; Xu, Biao; Liu, Linlin; Xie, Zengqi; Ma, Yuguang","Magic-Angle Stacking and Strong Intermolecular π-π Interaction in a Perylene Bisimide Crystal: An Approach for Efficient Near-Infrared (NIR) Emission and High Electron Mobility.","The journal of physical chemistry letters","2018","","","596","600","10.1021/acs.jpclett.7b03251","","x-ray","1.54184","CuKα","","0.0903","0.0484","","","0.1276","0.1524","","","","","","1.048","","","","has coordinates","205441","2020-10-21","18:00:00",""
"8000266","13.339","0.0001","26.3269","0.0002","15.1633","0.0001","90","","94.066","0.001","90","","5311.56","0.07","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C106 H102 Ag2 B18 P8 -","- C106 H102 Ag2 B18 P8 -","- C212 H204 Ag4 B36 P16 -","2","0.5","","Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Schinabeck, Alexander; Yersin, Hartmut","Dinuclear Ag(I) Complex Designed for Highly Efficient Thermally Activated Delayed Fluorescence.","The journal of physical chemistry letters","2018","","","702","709","10.1021/acs.jpclett.7b03160","","x-ray","1.54184","CuKα","","0.0304","0.0267","","","0.0694","0.0714","","","","","","1.037","","","","has coordinates,has disorder","205926","2020-10-21","18:00:00",""
"8000267","8.3106","0.0003","11.699","0.0005","8.9515","0.0004","90","","90","","90","","870.32","0.06","150.05","0.1","150.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0392","0.0388","","","0.1033","0.1036","","","","","","1.298","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000268","8.5134","0.0003","9.045","0.0004","11.3434","0.0004","90","","90","","90","","873.48","0.06","210.02","0.02","210.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.021","","","0.0583","0.0586","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000269","8.5269","0.0003","9.0459","0.0004","11.3532","0.0004","90","","90","","90","","875.71","0.06","240.02","0.02","240.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0215","0.021","","","0.0592","0.0594","","","","","","1.114","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000270","8.5544","0.0003","9.0497","0.0004","11.3717","0.0004","90","","90","","90","","880.34","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0214","0.0205","","","0.0594","0.06","","","","","","1.105","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000271","8.3501","0.0003","11.7353","0.0005","8.9456","0.0004","90","","90","","90","","876.59","0.06","270.02","0.1","270.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.0169","","","0.0496","0.05","","","","","","1.124","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000272","8.4877","0.0003","9.0448","0.0004","11.3269","0.0004","90","","90","","90","","869.56","0.06","150.02","0.02","150.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0235","0.0233","","","0.0664","0.0665","","","","","","1.122","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000273","8.3606","0.0003","11.7463","0.0005","8.9453","0.0004","90","","90","","90","","878.48","0.06","300.03","0.1","300.03","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0177","0.0169","","","0.0492","0.0495","","","","","","1.113","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000274","8.3202","0.0003","11.7079","0.0005","8.9497","0.0004","90","","90","","90","","871.81","0.06","180.01","0.1","180.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0329","0.0325","","","0.0897","0.0901","","","","","","1.264","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000275","8.301","0.0003","11.6888","0.0005","8.9533","0.0004","90","","90","","90","","868.73","0.06","120.12","0.19","120.12","0.19","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","x-ray","0.71073","MoKα","","0.0394","0.0391","","","0.1044","0.1046","","","","","","1.289","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000276","8.3302","0.0003","11.7153","0.0005","8.9475","0.0004","90","","90","","90","","873.19","0.06","210.05","0.1","210.05","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0187","0.0181","","","0.0534","0.0537","","","","","","1.166","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000277","8.5009","0.0003","9.0436","0.0004","11.3352","0.0004","90","","90","","90","","871.44","0.06","180.02","0.02","180.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0234","0.0231","","","0.0645","0.0647","","","","","","1.116","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000278","8.34","0.0003","11.7244","0.0005","8.9461","0.0004","90","","90","","90","","874.76","0.06","240.02","0.1","240.02","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C4 H9 N3 O6 Zn -","- C4 H9 N3 O6 Zn -","- C16 H36 N12 O24 Zn4 -","4","0.5","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0178","0.017","","","0.0499","0.0503","","","","","","1.13","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000279","8.541","0.0003","9.0472","0.0004","11.3619","0.0004","90","","90","","90","","877.96","0.06","270.02","0.02","270.02","0.02","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H9 Cu N3 O6 -","- C4 H9 Cu N3 O6 -","- C16 H36 Cu4 N12 O24 -","4","1","","Gui, Di; Ji, Lijun; Muhammad, Azeem; Li, Wei; Cai, Weizhao; Li, Yanchun; Li, Xiaodong; Wu, Xiang; Lu, Peixiang","Jahn-Teller Effect on Framework Flexibility of Hybrid Organic-Inorganic Perovskites.","The journal of physical chemistry letters","2018","","","751","755","10.1021/acs.jpclett.7b03229","","","0.71073","MoKα","","0.0212","0.0207","","","0.058","0.0583","","","","","","1.097","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000280","13.5766","0.0012","15.6601","0.0012","15.8281","0.0012","90","","96.624","0.003","90","","3342.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","1","","Wu, Kailong; Wang, Zian; Zhan, Lisi; Zhong, Cheng; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Realizing Highly Efficient Solution-Processed Homojunction-Like Sky-Blue OLEDs by Using Thermally Activated Delayed Fluorescent Emitters Featuring an Aggregation-Induced Emission Property.","The journal of physical chemistry letters","2018","","","1547","1553","10.1021/acs.jpclett.8b00344","","","0.71073","MoKα","","0.0929","0.0515","","","0.1212","0.1461","","","","","","1.002","","","","has coordinates","206936","2020-10-21","18:00:00",""
"8000389","16.3649","0.0007","33.5729","0.001","8.0898","0.0003","90","","97.21","0.004","90","","4409.5","0.3","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 Cl I3 N4 O2 Pb -","- C40 H54 Cl I3 N4 O2 Pb -","- C160 H216 Cl4 I12 N16 O8 Pb4 -","4","1","","Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A.; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A","One-Dimensional Organic-Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations.","The journal of physical chemistry letters","2018","9","9","2438","2442","10.1021/acs.jpclett.8b00458","","","1.54184","CuKα","","0.0658","0.0519","","","0.1229","0.1324","","","","","","1.054","","","","has coordinates","236662","2020-10-21","18:00:00",""
"8000390","10.03872","0.00018","10.41729","0.00019","19.6956","0.0004","76.455","0.005","80.489","0.006","88.925","0.006","1974.45","0.09","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H23 Eu F9 N3 O6 S3 -","- C39 H23 Eu F9 N3 O6 S3 -","- C78 H46 Eu2 F18 N6 O12 S6 -","2","1","","Hashimoto, Yuichiro; Nakashima, Takuya; Yamada, Miku; Yuasa, Junpei; Rapenne, Gwénaël; Kawai, Tsuyoshi","Hierarchical Emergence and Dynamic Control of Chirality in a Photoresponsive Dinuclear Complex.","The journal of physical chemistry letters","2018","9","9","2151","2157","10.1021/acs.jpclett.8b00690","","","0.71075","MoKα","","0.0196","0.0189","","","0.0474","0.0493","","","","","","1.088","","","","has coordinates,has disorder","236664","2020-10-21","18:00:00",""
"8104533","5.0566","0.0004","12.1796","0.0015","4.2985","0.0004","90","","90","","90","","264.73","0.05","502","2","502","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.1 Ge -","- Ba D0.095 Ge -","- Ba4 D0.38 Ge4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.049","2.04","","","","","","","has coordinates","211344","2020-10-21","18:00:00",""
"8104541","5.2272","0.0006","12.936","0.0015","4.6397","0.0006","90","","90","","90","","313.73","0.07","478","","478","","5200","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba D0.19 Sn -","- Ba D0.188 Sn -","- Ba4 D0.752 Sn4 -","4","0.25","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","11.3652","2.6858","","","","","","","has coordinates","211346","2020-10-21","18:00:00",""
"8104542","13.1951","0.0015","4.2145","0.0002","9.9155","0.0007","90","","90","","90","","551.41","0.08","502","2","502","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba D0.49 Ge -","- Ba D0.4885 Ge -","- Ba8 D3.908 Ge8 -","8","1","","Auer, Henry; Weber, Sebastian; Hansen, Thomas Christian; Többens, Daniel Maria; Kohlmann, Holger","Reversible hydrogenation of the Zintl phases BaGe and BaSn studied by in situ diffraction","Zeitschrift für Kristallographie - Crystalline Materials","2018","233","6","399","","10.1515/zkri-2017-2142","powder diffraction","","1.86819","neutron","","","","","","","","","0.058","2.48","","","","","","","has coordinates","211347","2020-10-21","18:00:00",""
"8105520","11.1898","0.0008","11.1898","0.0008","16.687","0.0019","90","","90","","90","","2089.4","0.3","293","2","293","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C32 H20 Ce I8 N4 O4 -","- C32 H20 Ce I8 N4 O4 -","- C64 H40 Ce2 I16 N8 O8 -","2","0.25","","Wu, Qiong; Tang, Yafang; Liu, Dian; Zi, Qiaoli; Liu, Faxi; Xiao, Jianchang","Crystal structure of bis(6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2,4-diiodophenolato)-κ4 N,N′,O,O′)cer(IV), C32H20CeI8N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","1","2","10.1515/ncrs-2017-0241","","","0.71073","MoKα","","0.0794","0.0566","","","0.0861","0.0939","","","","","","1.063","","","","has coordinates","276272","2022-06-27","07:59:39",""
"8105521","12.8449","0.0005","12.5266","0.0006","19.054","0.0011","90","","90","","90","","3065.8","0.3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl2 Cu N2 O2 -","- C16 H12 Cl2 Cu N2 O2 -","- C128 H96 Cl16 Cu8 N16 O16 -","8","1","","Ju, Hongping; Li, Meihua; Chen, Zihao; Wu, Qiong; Chai, Yanling","Crystal structure of (6,6′-((ethane-1,2-diylbis(azanylylidene))bis(methanylylidene))bis(2-chlorophenolato-κ2 N,O))copper(II), C16H12Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","3","4","10.1515/ncrs-2017-0249","","","0.71073","MoKα","","0.0633","0.0423","","","0.1012","0.1164","","","","","","1.063","","","","has coordinates","276273","2022-06-27","08:14:24",""
"8105522","8.9665","0.0003","9.3617","0.0003","28.3925","0.0009","90","","95.134","0.003","90","","2373.75","0.13","287.51","0.1","287.51","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 N4 O18 Sm2 -","- C52 H34 N4 O18 Sm2 -","- C104 H68 N8 O36 Sm4 -","2","0.5","","Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui","Crystal structure of poly[aqua-(μ3-4-(pyridin-4-yl)isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:O′)samarium(III)], C26H18N2O9Sm","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","5","7","10.1515/ncrs-2017-0305","","x-ray","0.71073","MoKα","","0.0376","0.0317","","","0.0613","0.0637","","","","","","1.176","","","","has coordinates","276274","2022-06-27","08:19:02",""
"8105523","6.473","0.0005","8.1564","0.0006","27.511","0.002","90","","90.113","0.002","90","","1452.48","0.19","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","","Wei, Ping; Li, Qing-Lin; Ma, Jin-Xia; Fu, Tao; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 1-{4-[(2-hydroxy-5-nitrobenzylidene)amino]phenyl}ethanone O-methyl oxime, C16H15N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","9","10","10.1515/ncrs-2017-0382","","","0.71073","MoKα","","0.0926","0.0623","","","0.1246","0.136","","","","","","1.093","","","","has coordinates","276275","2022-06-27","08:25:53",""
"8105524","16.2076","0.0017","13.9361","0.0019","19.029","0.003","90","","107.635","0.014","90","","4096.1","1","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N4 O12 Zn3 -","- C44 H38 N4 O12 Zn3 -","- C176 H152 N16 O48 Zn12 -","4","0.5","","Ren, Zong-Li; Liu, Chang; Wang, Lan; Peng, Yun-Dong; Dong, Wen-Kui","Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)-bis(μ2-1-(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6 O:O,N,N′,O′:O′)trizinc(II), C44H38Zn3N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","11","13","10.1515/ncrs-2017-0392","","","0.71073","MoKα","","0.162","0.076","","","0.1373","0.1768","","","","","","1.01","","","","has coordinates","276276","2022-06-27","08:28:14",""
"8105525","16.1982","0.0008","14.1334","0.0007","18.7433","0.0011","90","","107.916","0.006","90","","4082.9","0.4","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Co3 N4 O12 -","- C44 H38 Co3 N4 O12 -","- C176 H152 Co12 N16 O48 -","4","0.5","","Ren, Zong-Li; Mu, Hao-Ran; An, Xiao-Xin; Peng, Yun-Dong; Dong, Wen-Kui","Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)–bis(μ2–(8-(2-oxidophenyl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl)naphthalen-2-olato-κ6 O:O,N,N′,O′:O′)tricobalt(II), C44H38Co3N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","15","17","10.1515/ncrs-2017-0394","","","0.71073","MoKα","","0.1029","0.0639","","","0.1323","0.1538","","","","","","1.059","","","","has coordinates","276277","2022-06-27","08:31:21",""
"8105526","6.7457","0.0007","6.5637","0.0006","19.8466","0.0019","90","","93.352","0.002","90","","877.24","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N O7 Y -","- C6 H8 N O7 Y -","- C24 H32 N4 O28 Y4 -","4","1","","Zhao, Chong-Yang; Zhao, Dan","Crystal structure of poly[aqua(μ 4-2,2′,2′′-nitrilotriacetato-κ6 O 1,O 3,O 5:O 2:O 4:O 6)-yttrium(III)], C6H8NO7Y","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","19","21","10.1515/ncrs-2018-0001","","","0.71073","MoKα","","0.031","0.0245","","","0.0581","0.0604","","","","","","1.103","","","","has coordinates","276278","2022-06-27","08:44:24",""
"8105527","6.768","0.001","23.693","0.002","7.7301","0.0011","90","","90","","90","","1239.6","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H6 Br Cu2 N4 O4 -","- C10 H6 Br Cu2 N4 O4 -","- C40 H24 Br4 Cu8 N16 O16 -","4","0.5","","Cuihong, Zhang; Xiaohu, Wei; Liguo, Yang; Zhenzhen, He; Jiaze, Wu; Hao, Liu; Xin, Li; Zongcheng, Miao","Crystal structure of catena-poly[bromido-(μ2-pyrazine-2-carboxylato-κ3 N:N′,O)copper(II)], C10H6N4Cu2O4Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","23","24","10.1515/ncrs-2018-0008","","","0.71073","MoKα","","0.0547","0.0473","","","0.1238","0.1293","","","","","","1.117","","","","has coordinates","276279","2022-06-27","08:49:57",""
"8105528","12.9112","0.0005","28.1127","0.0006","14.2324","0.0005","90","","110.665","0.004","90","","4833.5","0.3","173","10","173","10","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 Cu3 F12 N4 O12 -","- C48 H30 Cu3 F12 N4 O12 -","- C192 H120 Cu12 F48 N16 O48 -","4","1","","Wei, Xiao; Aiqin, Dong; Guang-Ming, Bao; Xiong-Xin, Peng; Ting-Ting, Sun; Chun-Yan, Hu; Hou-Qun, Yuan","Crystal structure of poly[dodekais(μ2-2,6-difluorobenzoato-κ2 O:O′)-bis((μ3-hexamethylenetetramine-κ3 N:N′:N′′)hexacopper(II)], C48H30N4O12F12Cu3","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","25","27","10.1515/ncrs-2018-0069","","","0.71073","MoKα","","0.0814","0.0489","","","0.0952","0.1108","","","","","","1.028","","","","has coordinates,has disorder","276280","2022-06-27","08:55:15",""
"8105529","7.4809","0.0014","13.082","0.002","16.87","0.003","90","","93.44","0.004","90","","1648","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C72 H72 N8 O24 -","4","1","","Gou, Wei; Peng, Ling; Li, Bo; Yang, Qinghua; Cao, Lewei","Crystal structure of methyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","29","30","10.1515/ncrs-2018-0078","","","0.71073","MoKα","","0.0599","0.0433","","","0.1191","0.1279","","","","","","1.098","","","","has coordinates","276281","2022-06-27","08:58:29",""
"8105530","12.2265","0.0007","7.6323","0.0005","11.6491","0.0006","90","","102.637","0.002","90","","1060.72","0.11","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C40 H52 N12 S4 -","4","1","","Hussien, Nasry Jassim; Yusoff, Siti Fairus M.; Al-Jeboori, Mohamad J.; Farina, Yang; Abosadiya, Hamza M.; Yousif, Enaam I.; Ahmed, Riyadh M.","Crystal structure of N-phenyl-2-(propan-2-ylidene)hydrazine-1-carbothioamide, C10H13N3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","31","32","10.1515/ncrs-2018-0080","","","0.71073","MoKα","","0.0611","0.0448","","","0.1081","0.1211","","","","","","1.065","","","","has coordinates","276282","2022-06-27","09:01:10",""
"8105531","7.3873","0.0003","7.6637","0.0002","12.9658","0.0004","90","","91.249","0.003","90","","733.87","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Cs Na O7 P2 Zn -","- Cs Na O7 P2 Zn -","- Cs4 Na4 O28 P8 Zn4 -","4","1","","Fang, Wang; Yigang, Chen","Crystal structure of sodium caesium zinc phosphate, NaCsZnP2O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","33","34","10.1515/ncrs-2018-0101","","","0.71073","MoKα","","0.0246","0.0221","","","0.0554","0.0569","","","","","","1.083","","","","has coordinates","276283","2022-06-27","09:04:57",""
"8105532","9.531","0.005","19.245","0.011","11.902","0.007","90","","107.003","0.01","90","","2088","2","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Li, Da; Zhou, Yan; Zhao, Li; Zhang, Hua","Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","35","36","10.1515/ncrs-2018-0111","","","0.71073","MoKα","","0.0959","0.0525","","","0.1341","0.1512","","","","","","1.017","","","","has coordinates,has disorder","276284","2022-06-27","09:09:18",""
"8105533","7.2634","0.0004","9.5067","0.0004","9.7384","0.0004","89.971","0.003","76.844","0.004","67.575","0.004","602.49","0.05","289.04","0.1","289.04","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Co0.5 N7 S -","- C11 H8 Co0.5 N7 S -","- C22 H16 Co N14 S2 -","2","1","","Lan, Hong-Hong","Crystal structure of catena-poly[bis(μ2-1,3-di(4H-1,2,4-triazol-4-yl)benzene-κ2 N:N′)-bis(thiocyanato-κ1 N)cobalt(II), C22H16CoN14S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","37","38","10.1515/ncrs-2018-0117","","x-ray","0.71073","MoKα","","0.0323","0.0295","","","0.0671","0.0685","","","","","","1.068","","","","has coordinates","276285","2022-06-27","09:13:08",""
"8105534","10.6306","0.0006","13.1604","0.0005","15.1858","0.0007","81.039","0.004","82.393","0.004","66.803","0.004","1923.04","0.17","291.6","0.7","291.6","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Co N14 S5 -","- C38 H24 Co N14 S5 -","- C76 H48 Co2 N28 S10 -","2","1","","Sun, Xiao-Juan","Crystal structure of catena-poly[(μ2-2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ2 N:N′)-bis(2,5-di(pyridin-3-yl)-1,3,4-thiadiazole-κ1 N)-bis(thiocyanato-κ1 N)cobalt(II)], C38H24CoN14S5","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","39","40","10.1515/ncrs-2018-0118","","x-ray","0.71073","MoKα","","0.0529","0.042","","","0.0838","0.0882","","","","","","1.052","","","","has coordinates","276286","2022-06-27","09:18:22",""
"8105535","22.8034","0.001","7.9953","0.0002","16.6238","0.0007","90","","110.05","0.005","90","","2847.2","0.2","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N10 S4 -","- C26 H16 Co N10 S4 -","- C104 H64 Co4 N40 S16 -","4","1","","Wang, Jian-Ge","Crystal structure of bis(2,5-di(pyridin-2-yl)-1,3,4-thiadiazole-κ2 N,N′)-bis(thiocyanato-κ1 N)cobalt(II), C26H16CoN10S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","41","42","10.1515/ncrs-2018-0119","","x-ray","0.71073","MoKα","","0.0749","0.049","","","0.0859","0.0953","","","","","","1.069","","","","has coordinates","276287","2022-06-27","09:27:11",""
"8105536","7.8073","0.0019","11.35","0.003","15.515","0.004","95.006","0.002","101.828","0.003","102.05","0.004","1303.8","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N6 O7 Zn -","- C25 H28 N6 O7 Zn -","- C50 H56 N12 O14 Zn2 -","2","1","","Gu, Jin-Feng; Feng, Rui; Nie, Feng-Mei","Crystal structure of (bis((1H-benzo[d]imidazol2-yl)methyl)amine-κ3 N,N′,N′′)-(pyridine-2,6-dicarboxylato-κ3 N,O,O′)zinc(II) — methanol — water (1/2/1), C25H28N6O7Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","43","45","10.1515/ncrs-2018-0122","","","0.71073","MoKα","","0.0518","0.0429","","","0.1105","0.1153","","","","","","1.069","","","","has coordinates","276288","2022-06-27","09:30:32",""
"8105537","21.678","0.013","9.071","0.006","13.786","0.009","90","","122.738","0.007","90","","2280","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Cu O8 -","- C9 H12 Cu O8 -","- C72 H96 Cu8 O64 -","8","1","","Zhao, Ying; Wu, Xiao-Xia; Wang, San-Tai","Crystal structure of catena-poly[triaqua-(μ2-5-methoxy-isophthalato-κ2 O:O′)copper(II)], C9H12CuO8","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","47","48","10.1515/ncrs-2018-0123","","","0.71073","MoKα","","0.1131","0.0613","","","0.1427","0.1682","","","","","","1.018","","","","has coordinates","276289","2022-06-27","09:34:00",""
"8105538","24.1193","0.0005","9.2419","0.0002","10.8343","0.0002","90","","96.126","0.001","90","","2401.26","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 Cl F6 S2 -","- C27 H17 Cl F6 S2 -","- C108 H68 Cl4 F24 S8 -","4","1","","Liu, Fangfang; Li, Hui; Pu, Shouzhi","Structure and photochromism of 1-[2-methyl-5-phenyl-3-thienyl]-2-[2-methyl-5-(4-chlorophenyl)-3-thienyl]3,3,4,4,5,5-hexafluorocyclopent-1-ene, C27H16ClF6S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","49","51","10.1515/ncrs-2018-0129","","","0.71073","MoKα","","0.032","0.0292","","","0.0836","0.0878","","","","","","0.701","","","","has coordinates,has disorder","276290","2022-06-27","09:36:49",""
"8105539","12.034","0.004","15.247","0.005","12.991","0.004","90","","115.379","0.006","90","","2153.6","1.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N O4 -","- C26 H27 N O4 -","- C104 H108 N4 O16 -","4","1","","Gou, Wei; Chen, Gang; Chen, Wei-Yong; Li, Wen-Jun; Feng, Jing","Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","53","54","10.1515/ncrs-2018-0135","","","0.71073","MoKα","","0.1143","0.0531","","","0.1236","0.1447","","","","","","0.969","","","","has coordinates","276291","2022-06-27","09:40:36",""
"8105540","7.7872","0.0005","9.9149","0.0006","16.9804","0.001","79.497","0.001","76.862","0.001","78.148","0.001","1236.8","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F8 N O12 Sm2 -","- C21 H6 F8 N O12 Sm2 -","- C42 H12 F16 N2 O24 Sm4 -","2","1","","Feng, Xun; Wang, Rui; Wang, Xin Yi; Zhang, Ying Ying; Jia, Xi Xi","Crystal structure of poly[diaqua-di-μ2-hydroxido-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ4 O:O′:O′′:O′′′)-(μ4-3,4,5,6-tetrafluoro-1,2-phthalato-κ5 O,O:O′:O′′:O′′′)disamarium(III)] – bipyridine (2/1), C21H11NF16O12Sm2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","55","57","10.1515/ncrs-2018-0138","","","0.71073","MoKα","","0.0448","0.0411","","","0.1123","0.1158","","","","","","1.102","","","","has coordinates","276308","2022-06-28","08:01:17",""
"8105541","8.657","0.005","17.15","0.005","13.889","0.004","90","","104.807","0.015","90","","1993.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br2 N O5 -","- C19 H21 Br2 N O5 -","- C76 H84 Br8 N4 O20 -","4","1","","Zheng, Feng; Quan, Ji-Shu; Cui, Xiang-Dan; Jin, Xue-Feng; Yin, Xue-Zhe","Crystal structural of diethyl 4-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, C19H21Br2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","59","60","10.1515/ncrs-2018-0152","","","0.71073","MoKα","","0.1307","0.0646","","","0.1523","0.1732","","","","","","0.901","","","","has coordinates","276309","2022-06-28","08:05:41",""
"8105542","6.3962","0.0005","6.9439","0.0007","20.4208","0.0019","93.04","0.008","96.337","0.007","110.97","0.008","837.54","0.14","288.23","0.1","288.23","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H17 N3 O8 S Zn -","- C14 H17 N3 O8 S Zn -","- C28 H34 N6 O16 S2 Zn2 -","2","1","","Xue, Li-ping","Crystal structure of catena-poly[tetraaqua(μ2-4-(1H-imidazol-1-yl)pyridine-κ2 N:N′))zinc(II)] thiophene-2,5-dicarboxylate, C14H17N3O8ZnS","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","61","63","10.1515/ncrs-2018-0155","","x-ray","0.71073","MoKα","","0.0424","0.039","","","0.0756","0.0769","","","","","","1.189","","","","has coordinates","276310","2022-06-28","08:11:05",""
"8105543","12.679","0.003","6.9067","0.0014","15.577","0.003","90","","113.821","0.004","90","","1247.9","0.5","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H42 N2 O2 -","- C28 H42 N2 O2 -","- C56 H84 N4 O4 -","2","1","","Huo, Shao-Jie; Wu, Ji-Chun; He, Xi-Chen; Wu, Qi-Yun; Du, Jiang","Crystal structure of (20S)-20-(dimethylamino)-3-(tigloylamino)-5α-pregn-2,16-dien-4-one, C28H42N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","65","67","10.1515/ncrs-2018-0169","","","0.71073","MoKα","","0.0614","0.0485","","","0.1171","0.1266","","","","","","1.029","","","","has coordinates","276311","2022-06-28","08:19:38",""
"8105544","15.8722","0.0009","9.599","0.0005","16.8433","0.0008","90","","109.352","0.006","90","","2421.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I4 N2 O2 -","- C20 H18 I4 N2 O2 -","- C80 H72 I16 N8 O8 -","4","1","","Wu, Qiong; Tang, Yafang; Li, Jun; Li, Yajuan; Fang, Yunshan","Crystal structure of rac-trans-N,N′-bis(3,5-diiodosalicylidene)-1,2-cyclohexanediamine, C20H18I4N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","69","70","10.1515/ncrs-2018-0173","","","0.71073","MoKα","","0.0616","0.0387","","","0.065","0.0754","","","","","","1.049","","","","has coordinates","276312","2022-06-28","08:23:13",""
"8105545","8.0338","0.0016","9.0803","0.0018","24.281","0.005","90","","95.78","0.03","90","","1762.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N2 O -","- C22 H19 Br N2 O -","- C88 H76 Br4 N8 O4 -","4","1","","Songhua, Chen; Jien, Yang","Crystal structure of 2-bromo-7-(4-(dimethylamino)phenyl)-10-methylacridin-9 (10H)-one, C22H19BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","71","72","10.1515/ncrs-2018-0180","","","1.54178","CuKα","","0.1124","0.0871","","","0.1507","0.1595","","","","","","1.239","","","","has coordinates","276313","2022-06-28","08:32:20",""
"8105546","9.4009","0.0012","13.816","0.0018","15.1299","0.0019","90","","95.507","0.003","90","","1956","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N4 O5.5 Zn -","- C17 H21 N4 O5.5 Zn -","- C68 H84 N16 O22 Zn4 -","4","1","","Liu, Yan-Ju; Wang, Na; Liu, Ya; Cheng, Fang-Rong; Meng, Xiang-Ru","Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2 O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2 N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","73","75","10.1515/ncrs-2018-0181","","","0.71073","MoKα","","0.0734","0.059","","","0.1417","0.1495","","","","","","1.111","","","","has coordinates,has disorder","276314","2022-06-28","08:43:05",""
"8105547","5.699","0.003","9.629","0.004","16.888","0.002","86.51","0.03","84.31","0.03","81.06","0.03","910","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F2 N O5 -","- C21 H15 F2 N O5 -","- C42 H30 F4 N2 O10 -","2","1","","Li, Jingwei; Nie, Xingyu; Fan, Hao; Wu, Xuejiao; Li, Xiaonan; He, Jieli","Crystal structure of ethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C21H15F2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","77","78","10.1515/ncrs-2018-0182","","","0.71073","MoKα","","0.152","0.0643","","","0.1619","0.227","","","","","","0.891","","","","has coordinates,has disorder","276315","2022-06-28","08:46:28",""
"8105548","14.463","0.003","9.78","0.005","10.848","0.004","90","","90","","90","","1534.4","1","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C18 H18 N0 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","0.5","","Li, Jingwei; Hu, Shuai; Zhu, Hongjuan; Zhang, Xuesha; Xu, Ting; He, Jieli","Crystal structure of 9-(5-methylthiophen-2-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, C18H18O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","79","80","10.1515/ncrs-2018-0183","","","0.71073","MoKα","","0.0458","0.0416","","","0.105","0.1132","","","","","","1.067","","","","has coordinates","276316","2022-06-28","09:14:10",""
"8105549","7.5883","0.0009","12.311","0.0015","12.7718","0.0015","95.621","0.002","99.908","0.002","101.3","0.002","1141.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 N4 Ni O4 -","- C23 H30 N4 Ni O4 -","- C46 H60 N8 Ni2 O8 -","2","1","","Li, Ming; Wu, Jiang-Bin; Zong, Hai-Tao; Wu, Wei-Na","Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4 N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","81","82","10.1515/ncrs-2018-0186","","","0.71073","MoKα","","0.0481","0.0433","","","0.1205","0.1239","","","","","","1.043","","","","has coordinates","276317","2022-06-28","09:19:06",""
"8105550","15.762","0.009","6.013","0.004","22.264","0.011","90","","103.522","0.019","90","","2052","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O7 S -","- C20 H21 N3 O7 S -","- C80 H84 N12 O28 S4 -","4","1","","Mammadova, Gunay Z.; Brito, Iván; Cárdenas, Alejandro","Crystal structure of (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazineyl) terephthalic acid-dimethylsulfoxide (1/1), C18H15N3O6 ⋅ C2H6OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","83","85","10.1515/ncrs-2018-0190","","","0.71073","MoKα","","0.0923","0.0484","","","0.1118","0.1348","","","","","","1.026","","","","has coordinates","276318","2022-06-28","09:23:03",""
"8105551","8.2018","0.0004","11.5512","0.0005","14.4121","0.0007","79.242","0.002","78.647","0.003","85.496","0.003","1313.93","0.11","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>,4<i>Z</i>)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate","","- C28 H30 N2 O8 -","- C28 H30 N2 O8 -","- C56 H60 N4 O16 -","2","1","","Chen, Xiao-Ming; Zhang, Xing-Yu; He, Fu-Lin; Pan, Jun; Jia, Guo-Kai","Crystal structure of (2E,4Z)-dimethyl 4-((phenylamino)methylene)pent-2-enedioate, C14H15N1O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","87","89","10.1515/ncrs-2018-0194","","","0.71073","MoKα","","0.082","0.0548","","","0.1565","0.1805","","","","","","1.033","","","","has coordinates","276319","2022-06-28","09:33:24",""
"8105552","26.3525","0.0008","3.8864","0.0001","34.8871","0.001","90","","90","","90","","3573.01","0.18","179.99","0.1","179.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C184 H136 N8 O32 -","8","2","","Weng, Ai-Zhen; Quan, Hai-Yuan; Wang, Liu-Yang; She, Dong-Mei; Mei, Xiang-Dong","Crystal structure of (2Z,2′Z)-1,1′-(pyridine-2,6-diyl) bis(3-hydroxy-3-phenylprop-2-en-1-one), C23H17NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","91","93","10.1515/ncrs-2018-0200","","","0.71073","MoKα","","0.0521","0.0419","","","0.1031","0.1086","","","","","","1.029","","","","has coordinates","276378","2022-06-29","07:28:57",""
"8105553","10.146","0.005","8.188","0.004","22.204","0.004","90","","90.72","0.009","90","","1844.5","1.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Br N O5 -","- C21 H16 Br N O5 -","- C84 H64 Br4 N4 O20 -","4","1","","Gou, Wei; Chen, Wei-Yong; Chen, Gang; Li, Wen-Jun","Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","95","96","10.1515/ncrs-2018-0201","","","0.71073","MoKα","","0.1289","0.0509","","","0.1098","0.1421","","","","","","0.945","","","","has coordinates","276379","2022-06-29","07:32:16",""
"8105554","11.4271","0.0018","12.779","0.002","20.102","0.003","76.6197","0.0017","86.9059","0.0018","71.446","0.0018","2706.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H108 Cl4 Gd4 N8 O22 -","- C102 H108 Cl4 Gd4 N8 O22 -","- C102 H108 Cl4 Gd4 N8 O22 -","1","0.5","","Yuhua, Guo; Junwei, Zhang; Hao, Liang; Yating, Fang; Najie, Zhuang; Youzhu, Yu","Crystal structure of bis(μ2-3,5-dichloro-2-oxidobenzoato-κ4 O,O′:O′,O′′)-hexakis(μ2-pivalato-κ2 O:O′)-bis(pivalato-κ2 O,O′)-tetrakis(1,10-phenanthroline-κ2 N,N′)tetragadolinium(III), C102H108Cl4Gd4N8O22","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","97","99","10.1515/ncrs-2018-0204","","","0.71073","MoKα","","0.0491","0.035","","","0.1022","0.135","","","","","","1.169","","","","has coordinates","276380","2022-06-29","07:35:50",""
"8105555","13.669","0.006","11.311","0.005","12.763","0.006","90","","93.115","0.007","90","","1970.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu N6 O6 -","- C18 H16 Cu N6 O6 -","- C72 H64 Cu4 N24 O24 -","4","1","","Li, Bo; Shi, Zhen-Zhen; Xing, Xiao-Jing; Fan, Hui-Tao","Crystal structure of catena-poly[aqua-bis(formato-κ1 O)-(μ2-1,1′-(oxybis(1,4-phenylene))-bis(1H-1,2,4-triazole)-κ2 N:N′)copper(II)]hydrate, C18H16CuN6O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","101","102","10.1515/ncrs-2018-0205","","","0.71073","MoKα","","0.0734","0.0481","","","0.1221","0.1311","","","","","","1.018","","","","has coordinates","276381","2022-06-29","08:05:58",""
"8105556","14.6929","0.0009","5.9337","0.0004","14.6256","0.0011","90","","113.521","0.008","90","","1169.16","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br N -","- C15 H10 Br N -","- C60 H40 Br4 N4 -","4","1","","Li, Hong-Mei; Wang, Hao-Feng; Sun, Bei-Jing; Lou, Xin-Hua","Crystal structure of 5-bromo-2-(naphthalen-6-yl)pyridine, C15H10BrN","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","103","104","10.1515/ncrs-2018-0211","","x-ray","1.54184","CuKα","","0.0522","0.0396","","","0.1009","0.1103","","","","","","1.055","","","","has coordinates","276382","2022-06-29","08:44:52",""
"8105557","10.2233","0.0009","10.2902","0.0009","24.2253","0.0019","86.607","0.007","88.529","0.007","62.515","0.009","2256.9","0.4","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C96 H104 N24 O8 -","8","4","","Lou, Xin-Hua; Zhou, Qing-Li; Liu, Wen-Yuan; Hu, Xue-Qing","Crystal structure of N-(4-methoxybenzyl)pyridazin-3-amine- a rare Z′ = 4 structure, C12H13N3O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","105","107","10.1515/ncrs-2018-0212","","","1.54184","CuKα","","0.0583","0.0425","","","0.1113","0.1239","","","","","","1.033","","","","has coordinates","276383","2022-06-29","08:59:05",""
"8105558","9.3135","0.0005","9.5191","0.0007","11.5417","0.0006","108.509","0.004","109.572","0.004","97.511","0.004","881.48","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu N4 O16 -","- C30 H32 Cl2 Cu N4 O16 -","- C30 H32 Cl2 Cu N4 O16 -","1","0.5","","Zhou, Ya-Dong; Zheng, Yan-Rui; Ma, Jie; Deng, Yu-Heng","Crystal structure of bis(perchlorato-κ1 O)-bis(3,4,5-trimethoxy-N-(pyridin-2-yl)benzamide-κ2 N,O)copper(II), C32H30Cl2CuN4O16","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","109","111","10.1515/ncrs-2018-0213","","","0.71073","MoKα","","0.1114","0.0636","","","0.1516","0.1844","","","","","","1.042","","","","has coordinates","276384","2022-06-29","09:05:34",""
"8105559","5.7965","0.0014","11.625","0.003","12.315","0.003","76.216","0.018","76.674","0.018","79.158","0.018","776.4","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C34 H34 N6 O6 -","2","1","","Wang, Chuan-Qi; Wang, Xiao-Xia; Liu, Xiao-Hu; Yang, Bin-Yi; Zhong, Qi-Di; Zhuang, Peng-Yu; Tan, Hong-Bo","Crystal structure of methyl 4-methyl-2,5-di(pyridin-4-yl)-1H-pyrrole-3-carboxylate monohydrate C17H15N3O2⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","113","114","10.1515/ncrs-2018-0216","","","0.71073","MoKα","","0.0808","0.0608","","","0.1484","0.1574","","","","","","0.924","","","","has coordinates","276387","2022-06-29","09:11:14",""
"8105560","14.458","0.002","9.4176","0.0018","16.914","0.003","90","","113.429","0.005","90","","2113.1","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 O6 -","- C26 H20 O6 -","- C104 H80 O24 -","4","1","","Huang, Xiang; Shi, Da-Bin","Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","115","117","10.1515/ncrs-2018-0218","","","0.71073","MoKα","","0.1507","0.0676","","","0.158","0.1935","","","","","","1.028","","","","has coordinates","276390","2022-06-29","09:16:00",""
"8105561","10.7872","0.0002","5.02626","0.00011","15.5479","0.0003","90","","94.2278","0.0017","90","","840.7","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C32 H48 N4 O8 -","2","1","","Sun, Wei; Zhu, Zhi-Ling; Zuo, Li-Min; Zhao, Ting; Zhu, Ming-Hui; Shan, Guang-Zhi","Crystal structure of tert-butyl (R)-(1-(benzylamino)-3-methoxy-1-oxopropan-2-yl)carbamate, C16H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","119","120","10.1515/ncrs-2018-0219","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0817","0.0871","","","","","","1.041","","","","has coordinates","276392","2022-06-29","09:18:46",""
"8105562","10.1188","0.0013","12.9297","0.0016","15.0668","0.0019","88.032","0.002","75.277","0.002","72.888","0.002","1820.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 N10 O9 Zn -","- C34 H34 N10 O9 Zn -","- C68 H68 N20 O18 Zn2 -","2","1","","Pang, Haixia; Zou, Xiaoqing; Xu, Baoming; Zhang, Hong","Crystal structure of aqua-bis(1,5-dimethyl-2-phenyl-4-(((E)-4-pyridylmethylene)amino)pyrazolidin-3-one-κN)-(nitrato-κO)-(nitrato-κ2 O,O′)zinc(II), C34H34N10O9Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","121","123","10.1515/ncrs-2018-0221","","","0.71073","MoKα","","0.0786","0.0668","","","0.1339","0.1406","","","","","","1.147","","","","has coordinates","276393","2022-06-29","09:23:21",""
"8105563","9.4744","0.0018","18.084","0.003","12.29","0.002","90","","94.196","0.003","90","","2100.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl2 Co N4 O2 -","- C18 H20 Cl2 Co N4 O2 -","- C72 H80 Cl8 Co4 N16 O8 -","4","1","","Pang, Haixia; Zou, Xiaoqing; Tao, Defu; Li, Jun; Zhang, Jiahui; Zhang, Hong","Crystal structure of catena-poly[dichlorido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)cobalt(II)] – methanol (1/1), C18H20Cl2CoN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","125","126","10.1515/ncrs-2018-0222","","","0.71073","MoKα","","0.1393","0.0559","","","0.1336","0.1705","","","","","","0.955","","","","has coordinates,has disorder","276394","2022-06-29","09:27:41",""
"8105564","8.252","0.006","18.144","0.01","13.58","0.008","90","","97.61","0.03","90","","2015","2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Mn N10 O12 -","- C40 H40 Mn N10 O12 -","- C80 H80 Mn2 N20 O24 -","2","0.5","","Li, Wen; Zhu, Xia; Zhu, Xue-heng; Li, Shi-jing-min","Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","127","129","10.1515/ncrs-2018-0223","","","0.71073","MoKα","","0.0688","0.039","","","0.089","0.1027","","","","","","1.04","","","","has coordinates","276395","2022-06-29","09:34:47",""
"8105565","9.37","0.002","28.367","0.009","6.7161","0.0016","90","","103.1","0.02","90","","1738.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N3 O -","- C18 H15 Cl2 N3 O -","- C72 H60 Cl8 N12 O4 -","4","1","","Atalay, Sehriman","The crystal structure of 4-((3,4-dichlorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C18H15Cl2N3O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","131","132","10.1515/ncrs-2018-0225","","","0.71073","MoKα","","0.1257","0.0416","","","0.0666","0.0821","","","","","","0.826","","","","has coordinates","276396","2022-06-29","09:37:45",""
"8105566","10.4568","0.0004","10.5977","0.0004","12.0793","0.0006","82.119","0.004","83.277","0.004","87.206","0.003","1316.12","0.1","173","0.1","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl Fe N8 O8 -","- C24 H22 Cl Fe N8 O8 -","- C48 H44 Cl2 Fe2 N16 O16 -","2","1","","Song, Jun-Ying; Wang, Zi-Chuang; Zhang, Juan","Crystal structure of bis(2-methoxy-6-((2-(pyrimidin-2-yl)hydrazono)methyl)phenolato-κ3 N,N′,O)iron(III) perchlorate, C24H22N8O8ClFe","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","133","135","10.1515/ncrs-2018-0227","","","1.54184","CuKα","","0.0647","0.0565","","","0.1501","0.1609","","","","","","1.032","","","","has coordinates","276397","2022-06-29","09:40:49",""
"8105567","9.263","0.01","9.847","0.011","15.431","0.016","90","","90","","90","","1408","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N2 O4 -","- C14 H19 N2 O4 -","- C56 H76 N8 O16 -","4","1","","Yin, Mei; Jing, Lin-Lin; Li, Bo; Liu, Yu-Zhi; Gao, Peng; Wang, Hai-Bo","The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","137","138","10.1515/ncrs-2018-0228","","","0.71073","MoKα","","0.0892","0.0542","","","0.1132","0.1323","","","","","","1.089","","","","has coordinates","276398","2022-06-29","09:43:29",""
"8105568","11.073","0.0002","5.526","0.0001","10.841","0.0002","90","","100.35","0.001","90","","652.56","0.02","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C10 H18 O6 Zn -","- C10 H18 O6 Zn -","- C20 H36 O12 Zn2 -","2","0.5","","Kang, Jaeun; Ok, Kang Min; Do, Junghwan","Crystal structure of diaqua-bis(3,3-dimethylacrylato-κ2 O,O′)zinc(II), C10H18ZnO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","139","140","10.1515/ncrs-2018-0235","","","0.71073","MoKα","","0.0366","0.0318","","","0.0816","0.0842","","","","","","1.043","","","","has coordinates","276400","2022-06-29","09:46:32",""
"8105569","9.1036","0.0018","13.197","0.003","15.035","0.003","93.716","0.002","99.904","0.002","104.928","0.002","1708","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 Cd Cl6 N12 O4 -","- C60 H72 Cd Cl6 N12 O4 -","- C60 H72 Cd Cl6 N12 O4 -","1","0.5","","Huang, Jian-Ping; Cheng, Li; Huang, Ying; Song, Xiu-Ying; Kang, Nian-Qian; Nie, Xu-Liang","Crystal structure of dichloro-tetrakis[(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol-κN]cadmium (II), C60H74CdCl6N12O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","141","143","10.1515/ncrs-2018-0236","","","0.71073","MoKα","","0.0288","0.0258","","","0.0661","0.0684","","","","","","1.036","","","","has coordinates","276401","2022-06-29","09:49:40",""
"8105570","7.871","0.0016","13.8","0.003","24.561","0.005","90","","90","","90","","2667.8","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O3 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","","Deng, Jian-Qiang; Mu, Xiao-Dong; Zhao, Ruo-Lin; Liu, Zhi; Tang, Hang-Jun; He, Meng; Meng, Qing-Guo","Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","145","147","10.1515/ncrs-2018-0237","","","0.71073","MoKα","","0.0684","0.0488","","","0.1141","0.1264","","","","","","1.239","","","","has coordinates","276403","2022-06-29","09:53:24",""
"8105571","9.9226","0.0004","11.1446","0.0007","12.6719","0.0006","90.693","0.004","109.858","0.004","95.382","0.004","1310.72","0.12","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H31 N5 O2 -","- C32 H31 N5 O2 -","- C64 H62 N10 O4 -","2","1","","Yuan, Juan; Cheng, Di","Crystal structure of (E)-3′,6′-bis(ethylamino)-2′,7′-dimethyl-2-((pyridin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C32H31N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","149","151","10.1515/ncrs-2018-0239","","x-ray","1.54184","CuKα","","0.0535","0.0497","","","0.1369","0.1419","","","","","","1.043","","","","has coordinates","276426","2022-06-30","07:16:39",""
"8105572","7.892","0.008","6.088","0.006","15.701","0.016","90","","90.08","0.03","90","","754.4","1.3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H5 F N2 O -","- C8 H5 F N2 O -","- C32 H20 F4 N8 O4 -","4","2","","Zhou, Zhixu; Long, Dan; Wu, Qing-Mei; Yu, De-Hou; Lu, Hong-Guang","The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","153","154","10.1515/ncrs-2018-0242","","","0.71073","MoKα","","0.0569","0.0423","","","0.0924","0.1032","","","","","","0.971","","","","has coordinates","276427","2022-06-30","07:22:42",""
"8105573","11.6379","0.0012","20.173","0.002","21.786","0.002","90","","97.27","0.002","90","","5073.6","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H54 B Cu F4 N3 P2 -","- C57 H54 B Cu F4 N3 P2 -","- C228 H216 B4 Cu4 F16 N12 P8 -","4","1","","Fazal, Atif; Fettouhi, Mohammed","Crystal structure of (2,2′-bipyridine-κ2 N,N′)bis(tri(p-tolyl)phosphine-κP)copper(I) tetrafluoroborate – 4,4′-bipyridine (2/1), C57H54BCuF4N3P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","155","157","10.1515/ncrs-2018-0243","","","0.71073","MoKα","","0.0647","0.044","","","0.1152","0.1283","","","","","","1.023","","","","has coordinates","276428","2022-06-30","07:40:18",""
"8105574","6.4261","0.0007","17.08","0.002","8.5393","0.001","90","","90","","90","","937.25","0.19","173","2","173","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","1,2-dimethyl-3,6-dinitrobenzene","","- C8 H6 N2 O6 -","- C8 H6 N2 O6 -","- C32 H24 N8 O24 -","4","0.5","","Fanfan, Shen; Jianlong, Wang; Shaomin, Xue","The crystal structure of 2,6-dimethyl-3,5-dinitrocyclohexa-2,5-diene-1,4-dione, C8H6N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","159","160","10.1515/ncrs-2018-0246","","x-ray","0.71073","MoKα","","0.0866","0.0444","","","0.084","0.0977","","","","","","1.056","","","","has coordinates","276429","2022-06-30","07:42:45",""
"8105575","9.1093","0.0005","13.243","0.0008","15.4334","0.001","106.544","0.002","98.15","0.002","96.151","0.002","1745.22","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1,2-dimethyl-3,6-dinitrobenzene","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C64 H64 N16 O32 -","8","4","","Fanfan, Shen; Shaomin, Xue; Jianlong, Wang","The crystal structure of 2,3-dimethyl-1,4-dinitrobenzene – a Z′ = 4 structure, C8H8N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","161","163","10.1515/ncrs-2018-0247","","x-ray","0.71073","MoKα","","0.1068","0.0508","","","0.096","0.1141","","","","","","1.055","","","","has coordinates","276430","2022-06-30","07:50:01",""
"8105576","10.816","0.0009","17.7253","0.0016","13.2179","0.0012","90","","93.961","0.008","90","","2528","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-κ^6^N~2~,O~4~) rubidium 1,2,3,4,5-pentamethyl-cyclopentadienide","","- C22 H41 N2 O4 Rb -","- C22 H41 N2 O4 Rb -","- C88 H164 N8 O16 Rb4 -","4","1","","Henneberger, Thomas; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of [(1,2-η)-1,2,3,4,5-pentamethyl-cyclopenta-2,4-dien-1-yl] (1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-κ6 N 2,O 4) rubidium (I), [Rb(diaza-18-crown-6)]Cp*, C22H41N2O4Rb","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","165","167","10.1515/ncrs-2018-0252","","","0.71073","MoKα","","0.1009","0.0376","","","0.062","0.0694","","","","","","0.718","","","","has coordinates","276431","2022-06-30","07:52:42",""
"8105577","27.2594","0.0019","5.7351","0.0004","26.1139","0.0018","90","","102.009","0.002","90","","3993.2","0.5","100","2","100.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H23 F N2 O2 S -","- C23.5 H23 F N2 O2 S -","- C188 H184 F8 N16 O16 S8 -","8","1","","Naicker, Tricia; Brasil, Edikarlos; Samipillai, Marivel; Govender, Thavendran; Baijnath, Sooraj","Crystal structure of 2-(4-fluorophenyl)-N-phenyl-2-(phenylamino)ethanesulfonamide – toluene (1/0.5), C23.5H23FN2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","169","171","10.1515/ncrs-2018-0253","","x-ray","0.71073","MoKα","","0.0447","0.0358","","","0.0899","0.0958","","","","","","1.032","","","","has coordinates,has disorder","276432","2022-06-30","07:55:52",""
"8105578","9.3121","0.0019","8.0958","0.0016","14.944","0.003","90","","106.06","0.03","90","","1082.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 O -","- C17 H10 O -","- C68 H40 O4 -","4","1","","Bao-Xi, Miao; Li-Fang, Zhang; Yun, Zhao","Crystal structure of pyrene-4-aldehyde, C17H10O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","173","175","10.1515/ncrs-2018-0254","","","0.71073","MoKα","","0.0593","0.0488","","","0.1355","0.1418","","","","","","1.076","","","","has coordinates","276433","2022-06-30","07:59:00",""
"8105579","5.6706","0.0016","32.091","0.009","6.5636","0.0014","90","","123.733","0.017","90","","993.3","0.5","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Yuan, Lin; Yuan, Xian-You; Li, Zhong-Yan","Crystal structure of 2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxylic acid, C10H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","177","178","10.1515/ncrs-2018-0270","","","0.71073","MoKα","","0.0381","0.0359","","","0.0877","0.0893","","","","","","1.063","","","","has coordinates","276434","2022-06-30","08:02:25",""
"8105580","6.179","0.004","11.666","0.008","22.46","0.015","90","","95.837","0.008","90","","1610.6","1.9","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cl N2 -","- C20 H13 Cl N2 -","- C80 H52 Cl4 N8 -","4","1","","Li, Yi-Biao; Chen, Lu; Zhu, Zhong-Zhi; Huang, Yu-Bing; Chen, Xiu-Wen","Crystal structure of 2-(4-chlorophenyl)-3-phenyl-1,8-naphthyridine, C20H13N2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","179","180","10.1515/ncrs-2018-0275","","","0.71073","MoKα","","0.0814","0.0507","","","0.1416","0.1599","","","","","","1.055","","","","has coordinates","276435","2022-06-30","08:08:12",""
"8105581","16.534","0.002","9.3008","0.0012","12.7681","0.0016","90","","95.095","0.002","90","","1955.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F6 N2 O S -","- C19 H14 F6 N2 O S -","- C76 H56 F24 N8 O4 S4 -","4","1","","Huang, Xiaoqin; Zheng, Chunhong; Pu, Shouzhi","Crystal structure and photochromism of 1-(2-ethyl-5-formylthiophen-3yl)-2-(2-cyano-1,5-dimethyl-4-pyrrl)-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C19H14F6N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","181","183","10.1515/ncrs-2018-0276","","","0.71073","MoKα","","0.0735","0.0466","","","0.1264","0.1471","","","","","","1.004","","","","has coordinates,has disorder","276436","2022-06-30","08:24:18",""
"8105582","7.3409","0.0017","18.494","0.004","12.905","0.003","90","","93.372","0.003","90","","1749","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Br I N2 -","- C19 H16 Br I N2 -","- C76 H64 Br4 I4 N8 -","4","1","","Zou, Long-Sheng; Yuan, Xian-You","Crystal structure of 2-(4-bromophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C19H16BrIN2","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","185","186","10.1515/ncrs-2018-0301","","","0.71073","MoKα","","0.0241","0.0205","","","0.0495","0.0512","","","","","","1.056","","","","has coordinates","276437","2022-06-30","08:31:17",""
"8105583","8.316","0.002","9.247","0.002","20.908","0.005","90","","93.538","0.005","90","","1604.7","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Jien, Yang; Songhua, Chen","Crystal structure of 2-(4-(dimethylamino)phenyl)-10-methylacridin-9(10H)-one, C22H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","187","188","10.1515/ncrs-2018-0310","","","0.71073","MoKα","","0.0669","0.0618","","","0.1494","0.1527","","","","","","1.216","","","","has coordinates","276438","2022-06-30","08:37:52",""
"8105584","11.2301","0.0012","11.9074","0.0013","20.738","0.002","90","","90","","90","","2773.1","0.5","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 F N2 O9 S -","- C24 H27 F N2 O9 S -","- C96 H108 F4 N8 O36 S4 -","4","1","","Liu, Jin-Qiang; Ji, Li","Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","189","190","10.1515/ncrs-2018-0326","","","0.71073","MoKα","","0.0539","0.0389","","","0.0934","0.1022","","","","","","1.032","","","","has coordinates","276439","2022-06-30","08:42:09",""
"8106026","8.5451","0.0009","11.6897","0.0012","18.4893","0.0019","90","","100.733","0.003","90","","1814.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N2 O10 Zn2 -","- C42 H30 N2 O10 Zn2 -","- C84 H60 N4 O20 Zn4 -","2","0.5","","Su, Qiong; Wang, Yan-Bin","Crystal structure of dimethanol-bis{3-(((2-oxidonaphthalen-1-yl)methylene)amino)-2-oxo-2H-chromen-4-olato-κ3 O,N:O′}dizinc(II), C42H30Zn2N2O10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","3","5","10.1515/ncrs-2016-0347","","","0.71073","MoKα","","0.0532","0.0404","","","0.0973","0.1029","","","","","","1.065","","","","has coordinates","279138","2022-11-09","08:10:45",""
"8106027","13.8335","0.0003","15.9222","0.0003","17.3099","0.0003","90","","105.655","0.001","90","","3671.24","0.12","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 F6 N4 O9 S2 Zn -","- C30 H34 F6 N4 O9 S2 Zn -","- C120 H136 F24 N16 O36 S8 Zn4 -","4","0.5","","Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.","Crystal structure of aqua-bis{[2,6-dimethyl-N-(pyridin-2-ylmethylene)aniline-κ2 N,N′]}zinc(II) triflate monohydrate [ZnC29H31N4O]CF3SO3⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","7","8","10.1515/ncrs-2017-0056","","","0.71073","MoKα","","0.0318","0.0301","","","0.079","0.0806","","","","","","1.069","","","","has coordinates","279139","2022-11-09","08:14:40",""
"8106028","10.7351","0.0005","14.1177","0.0006","14.3355","0.0009","90","","101.284","0.006","90","","2130.62","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl N3 O3 -","- C20 H27 Cl N3 O3 -","- C80 H108 Cl4 N12 O12 -","4","1","","Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin","Crystal structure of (E)-1-(4-{[(E)-4-Diethylamino-2-hydroxybenzene methylene]amino}phenyl)ethanone methoxy oxime, C20H27ClN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","9","11","10.1515/ncrs-2017-0067","","","1.54184","CuKα","","0.0774","0.0569","","","0.1566","0.1767","","","","","","1.043","","","","has coordinates","279140","2022-11-09","08:17:09",""
"8106029","17.8421","0.0015","9.4778","0.0009","22.116","0.002","90","","108.23","0.01","90","","3552.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C152 H184 N24 O16 -","8","2","","Li, Peng-Peng; Zhao, Li; Zhao, Ji-Xing; Zhu, Zhao-Bin","Crystal structure of (E)-1-(4-(((E)-4-(diethylamino)-2-hydroxybenzylidene)amino)phenyl)ethan-1-one oxime, C19H23N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","13","15","10.1515/ncrs-2017-0071","","","1.54184","CuKα","","0.1191","0.0649","","","0.1244","0.1506","","","","","","1.183","","","","has coordinates","279141","2022-11-09","08:20:31",""
"8106030","11.157","0.002","11.867","0.002","14.141","0.003","75.3","0.03","86.09","0.03","84.91","0.03","1801.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 N4 O6 S Zn -","- C40 H34 N4 O6 S Zn -","- C80 H68 N8 O12 S2 Zn2 -","2","1","","Xu, Chunying; Li, Jili; Li, Minghui; Cui, Lu","Crystal structure of poly[(μ2-1,4-bis((2-ethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2 N:N′)-(μ2-4,4′-sulfonyldibenzoato-κ2 O:O′)zinc(II)], C40H34N4O6SZn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","17","19","10.1515/ncrs-2017-0075","","","0.71073","MoKα","","0.049","0.0419","","","0.1019","0.1063","","","","","","1.138","","","","has coordinates","279142","2022-11-09","08:23:11",""
"8106031","6.4463","0.0005","8.418","0.0007","9.837","0.0008","66.13","0.001","79.537","0.001","81.153","0.002","478.11","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8.5 N2 O7.25 Zn -","- C6 H8.5 N2 O7.25 Zn -","- C12 H17 N4 O14.5 Zn2 -","2","1","","Linxin, Deng; Song, Li; Xingyu, Li","Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4 O,N:O′:O′′)zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","21","22","10.1515/ncrs-2017-0081","","","0.71073","MoKα","","0.034","0.0292","","","0.0738","0.0773","","","","","","1.048","","","","has coordinates","279143","2022-11-09","08:25:39",""
"8106032","10.548","0.005","22.996","0.005","11.022","0.005","90","0.005","98.011","0.005","90","0.005","2647.4","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 O5 P Re -","- C28.95 H27.95 O5 P Re -","- C115.8 H111.8 O20 P4 Re4 -","4","1","","Manicum, Amanda-Lee; Alexander, Orbett; Schutte-Smith, Marietjie; Visser, Hendrik G.","Crystal structure of fac-(acetylacetonato-κ2 O,O′)tricarbonyl(tri-m-tolyl phosphane-κP)rhenium(I), C29H28O5PRe","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","23","25","10.1515/ncrs-2017-0096","","","0.71073","MoKα","","0.0399","0.0306","","","","0.0911","","","","","","0.88","","","","has coordinates","279144","2022-11-09","08:41:29",""
"8106033","8.2863","0.0013","10.4324","0.0013","12.1503","0.0019","113.42","0.013","93.326","0.013","107.857","0.012","897.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cr2 N2 O14 -","- C38 H36 Cr2 N2 O14 -","- C38 H36 Cr2 N2 O14 -","1","0.5","","Jia, Hao-Ran; Li, Jing; Sun, Yin-Xia","Crystal structure of bis(μ2-methanolato-κ2 O:O)-bis(methanol-κ1 O)-bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3 O,O′,N}dichromium(III), C38H36Cr2N2O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","27","29","10.1515/ncrs-2017-0100","","","0.71073","MoKα","","0.0605","0.0454","","","0.1004","0.1112","","","","","","1.083","","","","has coordinates","279145","2022-11-09","08:43:56",""
"8106034","10.009","0.01","11.907","0.012","7.328","0.007","90","","105.05","0.012","90","","843.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N2 O12 Zn2 -","- C14 H14 N2 O12 Zn2 -","- C28 H28 N4 O24 Zn4 -","2","0.25","","Li, Dong-Mi; Xu, Xue-Li; Li, Shi-Hui","Crystal structure of poly[aqua-(μ3-pyridine-3,5-dicarboxylato-κ5 O,O′:O′′,O′′′,N)zinc(II)], C7H7NO6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","31","32","10.1515/ncrs-2017-0103","","","0.71073","MoKα","","0.0889","0.0681","","","0.1608","0.1757","","","","","","1.022","","","","has coordinates","279146","2022-11-09","08:50:31",""
"8106035","21.8573","0.0013","5.8605","0.0004","33.683","0.002","90","","97.428","0.005","90","","4278.4","0.5","293.42","0.1","293.42","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C52 H42 Cu N4 O4 -","- C52 H42 Cu N4 O4 -","- C208 H168 Cu4 N16 O16 -","4","0.5","","Li, Jing; Yu, Bin; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of bis((1-(((4-(((benzyloxy)imino)methyl)phenyl)imino)methyl)naphthalen-2-yl)oxy-κ2 O,N)copper(II), C52H42CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","33","35","10.1515/ncrs-2017-0107","","x-ray","0.71073","MoKα","","0.0864","0.0554","","","0.1042","0.1255","","","","","","1.06","","","","has coordinates","279147","2022-11-09","08:54:33",""
"8106036","25.848","0.002","9.7537","0.0005","13.8302","0.0011","90","","93.76","0.007","90","","3479.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Co N4 O6 -","- C40 H38 Co N4 O6 -","- C160 H152 Co4 N16 O24 -","4","0.5","","Jia, Hao-Ran; Li, Jing; Sun, Yin-Xia","Crystal structure of bis{5-(diethylamino)-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2 O,N}cobalt(II), C40H38CoN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","37","39","10.1515/ncrs-2017-0108","","","0.71073","MoKα","","0.1348","0.077","","","0.1581","0.1824","","","","","","1.09","","","","has coordinates","279174","2022-11-10","08:08:54",""
"8106037","17.867","0.003","9.17","0.006","24.651","0.005","90","","110.837","0.002","90","","3775","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Cl2 N4 Ni2 O12 -","- C38 H34 Cl2 N4 Ni2 O12 -","- C152 H136 Cl8 N16 Ni8 O48 -","4","0.5","","Li, Jing; Jia, Hao-Ran; Guo, Jian-Qiang; Sun, Yin-Xia","Crystal structure of diaqua-bis(N,N-dimethylformamide-κ1 O)-bis{3-((5-chloro-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ4 N,O,O′:O′}dinickel(II), C38H34Ni2Cl2N4O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","41","43","10.1515/ncrs-2017-0117","","","0.71069","MoKα","","0.0392","0.0323","","","0.1023","0.1078","","","","","","0.929","","","","has coordinates","279175","2022-11-10","08:13:19",""
"8106038","9.7459","0.0005","7.9026","0.0007","24.0622","0.0015","90","","100.26","0.005","90","","1823.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Co2 N2 O14 -","- C38 H38 Co2 N2 O14 -","- C76 H76 Co4 N4 O28 -","2","0.5","","Jia, Hao-Ran; Li, Jing; Sun, Yin-Xia","Crystal structure of tetrakis(methanol-κO)bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3 O,N,O′}bicobalt(II), C38H38Co2N2O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","45","47","10.1515/ncrs-2017-0118","","","0.71073","MoKα","","0.0975","0.0576","","","0.0944","0.1201","","","","","","1.048","","","","has coordinates","279176","2022-11-10","08:16:09",""
"8106039","10.4369","0.0003","9.4976","0.0002","10.8153","0.0003","90","","114.911","0.001","90","","972.33","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C32 H68 N4 O12 -","4","2","","Alapour, Saba; Zamisa, Sizwe J.; Koorbanally, Neil A.; Ramjugernath, Deresh","Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","49","50","10.1515/ncrs-2017-0128","","","0.71073","MoKα","","0.029","0.0287","","","0.0725","0.0733","","","","","","1.073","","","","has coordinates","279177","2022-11-10","08:19:04",""
"8106040","10.3025","0.0004","14.174","0.0009","16.0428","0.0009","115.835","0.006","97.68","0.004","90.493","0.004","2083.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 N2 O9 Pb -","- C52 H40 N2 O9 Pb -","- C104 H80 N4 O18 Pb2 -","2","1","","Song, Wei; Li, Shi-Hui; Xu, Xue-Li","Crystal structure of 4-(4′-(pyridin-4-yl)-[1,1′-biphenyl]-4-yl)pyridin-1-ium catena-poly[{5-carboxy-4′-methyl-[1,1′-biphenyl]-3-carboxylato-κ2 O,O′}-(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4 O,O′:O′′,O′′′)lead(II)], C52H40N2O9Pb","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","51","53","10.1515/ncrs-2017-0131","","","0.71073","MoKα","","0.0395","0.0342","","","0.0578","0.0612","","","","","","1.037","","","","has coordinates","279178","2022-11-10","08:22:14",""
"8106041","18.214","0.003","20.934","0.003","5.5296","0.0008","90","","90","","90","","2108.4","0.6","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H22 N6 Ni O6 -","- C21 H22 N6 Ni O6 -","- C84 H88 N24 Ni4 O24 -","4","0.5","","Hui, Guo; Xin-Hong, Chang; Hao-Yue, Qin","Crystal structure of catena-poly[diaqua-(μ2-5-methylisophthalato-κ2 O:O′)(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2 N:N′)], NiC21H22O6N6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","55","56","10.1515/ncrs-2017-0136","","","0.71073","MoKα","","0.033","0.0279","","","0.0763","0.0798","","","","","","1.059","","","","has coordinates","279179","2022-11-10","08:24:38",""
"8106042","44.1382","0.0007","8.1854","0.0001","21.8699","0.0003","90","","109.207","0.001","90","","7461.53","0.19","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C55 H126 N14 O22 -","- C55 H126 N14 O22 -","- C220 H504 N56 O88 -","4","1","","Zai, Yanbing; Zhu, Linlin; Wu, Xiangxiang","Crystal structure of the salt tris(guanidinium) tris(tetrapropylammonium) bis(pyridine-2,4,6-tricarboxylate) – water (1/10), C55H126N14O22","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","57","60","10.1515/ncrs-2017-0137","","","0.71073","MoKα","","0.049","0.0418","","","0.1131","0.1187","","","","","","1.022","","","","has coordinates","279180","2022-11-10","08:27:34",""
"8106043","12.689","0.002","20.321","0.004","7.082","0.0013","90","","105.368","0.013","90","","1760.8","0.6","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro","Crystal structure of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one, C19H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","61","64","10.1515/ncrs-2017-0141","","","1.54178","CuKα","","0.147","0.0662","","","0.1465","0.1788","","","","","","0.951","","","","has coordinates","279181","2022-11-10","08:31:47",""
"8106044","23.7684","0.0016","13.5683","0.001","10.0223","0.0007","90","","94.405","0.002","90","","3222.6","0.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H54 Co2 N8 O15 S2 -","- C68 H54 Co2 N8 O15 S2 -","- C136 H108 Co4 N16 O30 S4 -","2","0.5","","Li, Wei; Sun, Xuan; Suo, Jian; Xing, Yanpeng; Wang, Daguang","Crystal structure of poly{[μ2-1,1′-(sulfonylbis(4,1-phenylene))bis(2-methyl-1H-imidazole)-κ2 N:N′][μ2-4,4′-oxydibenzoato-κ2 O:O′]cobalt(II)} hemihydrate, C34H27N4O7.5SCo","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","65","66","10.1515/ncrs-2017-0148","","","0.71073","MoKα","","0.0741","0.0427","","","0.0715","0.0815","","","","","","1.012","","","","has coordinates","279182","2022-11-10","08:34:58",""
"8106045","15.4426","0.0011","17.4623","0.0013","25.9153","0.0019","90","","90","","90","","6988.4","0.9","291","2","291","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","25,27-(2,2'-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate) -26,28-dihydroxycalix[4]arene dichloromethane solvate","","- C36 H32 Cl2 O4 S5 -","- C36 H32 Cl2 O4 S5 -","- C288 H256 Cl16 O32 S40 -","8","1","","Liu, Lian-Wei; Zhong, Ji-Yan; Zhao, Bang-Tun","The crystal structure of 25,27-(2,2′-[(2-thioxo-1,3-dithiole-4,5-diyl)disulfanediyl]diethanolate)-26,28-dihydroxycalix[4]arene — dichloromethane (1/1), C36H32Cl2O4S5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","67","68","10.1515/ncrs-2017-0154","","","0.71073","MoKα","","0.0949","0.059","","","0.1641","0.1958","","","","","","1.018","","","","has coordinates","279183","2022-11-10","08:41:32",""
"8106046","4.791","0.005","28.156","0.005","5.747","0.005","90","0.005","109.941","0.005","90","0.005","728.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N6 O2 -","- C16 H12 N6 O2 -","- C32 H24 N12 O4 -","2","0.5","","Liu, Fei; Fang, Huang; Zhang, Fang; Chen, Qifan","The crystal structure of 1,2-bis(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)ethane, C16H12N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","69","70","10.1515/ncrs-2017-0155","","","0.71069","MoKα","","0.0607","0.0407","","","0.0905","0.0998","","","","","","1.063","","","","has coordinates","279185","2022-11-10","08:44:45",""
"8106047","9.1003","0.0005","9.9785","0.0006","12.9831","0.0006","74.611","0.005","76.063","0.004","64.264","0.005","1013.17","0.11","294.39","0.1","294.39","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C48 H38 Br2 N4 O6 -","2","1","","Lv, Meng Lan","Crystal structure of 1-benzyl-3-((4-bromophenyl)amino)-4-(4-methoxyphenyl)-1H-pyrrole-2,5-dione, C24H19BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","71","72","10.1515/ncrs-2017-0156","","x-ray","1.54184","CuKα","","0.05","0.0467","","","0.1221","0.1259","","","","","","1.083","","","","has coordinates","279186","2022-11-10","08:48:35",""
"8106048","13.2801","0.0008","18.5771","0.0008","10.2577","0.0005","90","","121.906","0.002","90","","2148.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N6 Pd S4 -","- C16 H20 N6 Pd S4 -","- C64 H80 N24 Pd4 S16 -","4","0.5","","Jambi, Suhair M.S.","Crystal structure of bis(2-((allylcarbamothioyl)imino)-4-methylthiazol-3-ido-κ2 N,S)palladium(II), C16H20N6PdS4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","73","74","10.1515/ncrs-2017-0157","","","0.71073","MoKα","","0.0326","0.03","","","0.0701","0.0721","","","","","","1.151","","","","has coordinates,has disorder","279187","2022-11-10","08:52:56",""
"8106049","4.7425","0.0003","12.5852","0.0009","26.508","0.0018","90","","90","","90","","1582.14","0.19","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C12 H14 N4 O11 -","- C12 H14 N4 O11 -","- C48 H56 N16 O44 -","4","0.5","","Guo, Chun-Mei; Song, Xiu-Ying; Xiong, Wan-Ming; Kang, Nian-Qian; Nie, Xu-Liang","Crystal structure of pyrimidine-2,5-dicarboxylic acid 1.5 hydrate, C12H14N4O11","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","75","76","10.1515/ncrs-2017-0159","","","0.71073","MoKα","","0.0382","0.0377","","","0.1057","0.1064","","","","","","1.154","","","","has coordinates","279188","2022-11-10","08:55:39",""
"8106050","5.1531","0.0005","11.7052","0.0011","9.4154","0.0007","90","","95.154","0.001","90","","565.62","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Mn N4 O6 -","- C8 H10 Mn N4 O6 -","- C16 H20 Mn2 N8 O12 -","2","0.5","","Wang, Hui; Gao, Yang; Lü, Lei","Crystal structure of trans-diaqua-bis(1H-pyrazole-3-carboxylato-κ2 N,O)manganese(II), C8H10N4O6Mn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","77","78","10.1515/ncrs-2017-0165","","","0.71073","MoKα","","0.0262","0.0227","","","0.0585","0.0611","","","","","","1.143","","","","has coordinates","279189","2022-11-10","08:57:32",""
"8106051","16.921","0.002","19.211","0.002","10.2928","0.0012","90","","90","","90","","3345.9","0.7","296","2","296.15","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C16 H13 Br Co N4 O4 -","- C16 H13 Br Co N4 O4 -","- C128 H104 Br8 Co8 N32 O32 -","8","1","","Han, Min-Le; Wang, San-Tai; Li, Zhong-Qi","Crystal structure of catena-(μ3-5-bromoisophthatato-κO,O′: O′′,O′′′′)-(1,2-bis(imidazol-1-yl)ethane-κN:N′)cobalt(II), C16H13CoN4O4Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","79","81","10.1515/ncrs-2017-0168","","","0.71073","MoKα","","0.0598","0.0335","","","0.0621","0.0713","","","","","","1.038","","","","has coordinates","279191","2022-11-10","09:34:15",""
"8106052","8.1673","0.0012","8.1673","0.0012","15.367","0.003","90","","90","","90","","1025.1","0.3","293","","293","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- La5 Pb1.197 Zn1.803 -","- La5 Pb1.198 Zn1.802 -","- La20 Pb4.792 Zn7.208 -","4","0.125","","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Dmytriv, Grygoriy","Investigation of the compound La5Zn2−xPb1 + x (x = 0.20–0.32)","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","83","84","10.1515/ncrs-2017-0173","","x-ray","0.71073","MoKα","","0.0273","0.0261","","","0.0438","0.0441","","","","2.22","2.22","2.19","","","","has coordinates","279192","2022-11-10","09:37:42",""
"8106053","10.472","0.002","21.668","0.004","8.1282","0.0015","90","","105.763","0.005","90","","1775","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N18 O6 Zn -","- C28 H32 N18 O6 Zn -","- C56 H64 N36 O12 Zn2 -","2","0.5","","Wang, Xue-Yuan; Zhu, Xia; Lu, Xin; Wang, Jian-Qiao","Crystal structure of (OC-6-13)-diaqua-bis(3,5-di(pyridin-3-yl)-4H-1,2,4-triazol-4-amine-κ1 N)-bis(dicyanamido-κ1 N)zinc(II) tetrahydrate, ZnC28H32N18O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","85","86","10.1515/ncrs-2017-0178","","","0.7107","MoKα","","0.0503","0.0459","","","0.1103","0.1133","","","","","","1.016","","","","has coordinates","279193","2022-11-10","09:45:00",""
"8106054","5.5036","0.0002","5.5036","0.0002","7.999","0.0003","90","","90","","90","","242.287","0.015","295","","295","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","gallium antimony palladide (0.62(3) / 0.38(3) / 3)","","- Ga2.48 Pd12 Sb1.52 -","- Ga2.48 Pd12 Sb1.52 -","- Ga2.48 Pd12 Sb1.52 -","1","0.0625","","Matselko, Oksana; Burkhardt, Ulrich; Gladyshevskii, Roman; Grin, Yuri","Crystal structure of Ga0.62(3)Sb0.38(3)Pd3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","87","88","10.1515/ncrs-2017-0179","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.0286","1.01","","","","","","","has coordinates","279194","2022-11-10","09:49:55",""
"8106055","7.0374","0.0003","7.0374","0.0003","3.3194","0.0002","90","","90","","120","","142.369","0.012","295","","295","","","","","","","","","3","P -6 2 m","P -6 -2","189","","gallium antimony palladide (0.47(1) / 0.53(1) / 2)","","- Ga1.42 Pd6 Sb1.58 -","- Ga1.42 Pd6 Sb1.58 -","- Ga1.42 Pd6 Sb1.58 -","1","0.0833333","","Matselko, Oksana; Burkhardt, Ulrich; Grin, Yuri; Gladyshevskii, Roman","Crystal structure of Ga0.47(1)Sb0.53(1)Pd2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","89","90","10.1515/ncrs-2017-0180","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.0372","1.01","","","","","","","has coordinates","279195","2022-11-10","09:53:51",""
"8106056","8.5017","0.0006","11.437","0.0007","22.2285","0.0012","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C84 H120 O20 Si4 -","4","1","","Wang, Kun-Yan; Wei, Pengfei; Yang, Xiao-Li","A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C21H30O5Si","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","91","92","10.1515/ncrs-2017-0184","","","0.71073","MoKα","","0.0802","0.0499","","","0.0879","0.0972","","","","","","1.031","","","","has coordinates","279196","2022-11-10","09:56:42",""
"8106057","7.9178","0.0008","10.8496","0.0012","7.9804","0.0008","90","","95.491","0.003","90","","682.41","0.12","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Wang, Kun-Yan; Wei, Pengfei; Yang, Xiao-Li","A Corey lactone: crystal structure of (3aR,4R,5R,6aS)-5-benzoyloxy-4(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one, C15H16O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","93","94","10.1515/ncrs-2017-0185","","","0.71073","MoKα","","0.1154","0.0646","","","0.1138","0.1323","","","","","","0.982","","","","has coordinates","279197","2022-11-10","10:11:11",""
"8106058","12.008","0.0007","14.9289","0.0008","15.2997","0.0008","90","","103.59","0.002","90","","2665.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl6 Mn N2 O6 -","- C22 H20 Cl6 Mn N2 O6 -","- C88 H80 Cl24 Mn4 N8 O24 -","4","1","","Gui-Lian, Li; Jia, Shen; Yu-Ying, He","Hydrothermal synthesis and crystal structure of poly[aqua-(μ2-1,3-bis(4-pyridyl)propane-κ2 N:N′)-(μ2-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylato-κ2 O:O′)manganese(II) hydrate, C22H20Cl6N2O6Mn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","95","97","10.1515/ncrs-2017-0187","","","0.71073","MoKα","","0.0605","0.0428","","","0.1027","0.1147","","","","","","1.033","","","","has coordinates","279198","2022-11-10","10:13:46",""
"8106059","5.9563","0.0004","12.8592","0.0008","16.1795","0.001","90","","99.45","0.001","90","","1222.42","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 I N4 S -","- C8 H13 I N4 S -","- C32 H52 I4 N16 S4 -","4","1","","Wu, Hao; Kou, Kai; Liu, Shu-Yang; Wang, Yuan","Crystal structure of 2-acetylpyrrole S-methylthiosemicarbazonium hydroiodide, C8H13IN4S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","99","100","10.1515/ncrs-2017-0188","","","0.71073","MoKα","","0.0277","0.0228","","","0.0509","0.0535","","","","","","1.069","","","","has coordinates","279199","2022-11-10","10:16:29",""
"8106060","7.6578","0.001","17.184","0.002","11.6581","0.0015","90","","100.837","0.002","90","","1506.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N4 Ni -","- C16 H20 N4 Ni -","- C64 H80 N16 Ni4 -","4","1","","Mao, Pan-Dong; Zhao, Xiao-Lei; Yang, Qing-Wen; Yang, Miao; Wang, Yuan","Crystal structure of [N,N-bis((pyrrol-2-yl)ethylidene)butane-1,4-diamine-κ4 N,N′,N′′,N′′′]-nickel(II), C16H20N4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","101","102","10.1515/ncrs-2017-0190","","","0.71073","MoKα","","0.0563","0.0356","","","0.0881","0.0945","","","","","","1.053","","","","has coordinates","279200","2022-11-10","10:21:35",""
"8106061","7.0533","0.0007","7.1238","0.0007","10.5664","0.001","87.466","0.001","83.003","0.001","66.69","0.001","483.95","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 Na O7 -","- C9 H7 Na O7 -","- C18 H14 Na2 O14 -","2","1","","Nie, Cong-Kui; Zhao, Dan; Tian, Ye","Crystal structure of poly[aqua-(μ5-2,5-dicarboxybenzoato-κ5 O:O:O′:O′′:O′′′)sodium(I)], C9H7NaO7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","103","104","10.1515/ncrs-2017-0191","","","0.71073","MoKα","","0.0518","0.0361","","","0.0858","0.0936","","","","","","1.027","","","","has coordinates","279201","2022-11-10","10:24:16",""
"8106062","8.817","0.016","10.172","0.017","10.043","0.017","90","","97.77","0.04","90","","892","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 Ni S4 -","- C14 H16 N6 Ni S4 -","- C28 H32 N12 Ni2 S8 -","2","0.5","","Lin, Long; Zhu, Ling-Hao; Wang, Yuan","Crystal structure of bis(N′-((1H-pyrrol-2-yl)methylene)-1-methylthio-methanethiohydrazido-κ2 S,N)nickel(II), C14H16N6NiS4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","105","106","10.1515/ncrs-2017-0192","","","0.71073","MoKα","","0.138","0.0788","","","0.1725","0.1962","","","","","","1.056","","","","has coordinates","279202","2022-11-10","10:27:06",""
"8106063","13.422","0.003","7.0011","0.0014","26.249","0.005","90","","101.06","0.03","90","","2420.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 N2 O3 -","- C26 H28 Cl2 N2 O3 -","- C104 H112 Cl8 N8 O12 -","4","1","","Chen, Hong; Jia, Hui-Xia; Xu, Qi-Tai","Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C26H28Cl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","107","109","10.1515/ncrs-2017-0196","","","1.54178","CuKα","","0.0721","0.0516","","","0.1143","0.137","","","","","","1.011","","","","has coordinates","279203","2022-11-10","10:30:27",""
"8106064","7.0252","0.0014","9.3017","0.0019","19.388","0.004","97.8","0.03","97.77","0.03","106.84","0.03","1180.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F N3 O3 S -","- C26 H26 F N3 O3 S -","- C52 H52 F2 N6 O6 S2 -","2","1","","Chen, Hong; Jia, Hui-Xia","Crystal structure of 2-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)benzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, C26H26FN3O3S – a saccharin dervative","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","111","113","10.1515/ncrs-2017-0197","","","0.71073","MoKα","","0.0949","0.0729","","","0.17","0.1854","","","","","","1.045","","","","has coordinates","279204","2022-11-10","10:33:08",""
"8106065","7.984","0.0018","11.331","0.003","14.428","0.003","90","","105.702","0.004","90","","1256.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C48 H60 N12 O4 S4 -","4","1","","Mao, Xian-Jie; Yan, Ling-Ling; Cai, Hong-Xin; Wang, Yuan","Crystal structure of 3-(2-dimethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C12H15N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","115","116","10.1515/ncrs-2017-0202","","","0.71073","MoKα","","0.1538","0.0639","","","0.1059","0.1293","","","","","","1.069","","","","has coordinates","279205","2022-11-10","10:35:27",""
"8106066","9.3721","0.0009","15.3783","0.0014","9.1684","0.0009","90","","96.698","0.002","90","","1312.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O S -","- C13 H17 N3 O S -","- C52 H68 N12 O4 S4 -","4","1","","Yang, Peng; Yan, Ling-Ling; Cai, Hong-Xin","Crystal structure of 3-(3-dimethylaminopropyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C13H17N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","117","118","10.1515/ncrs-2017-0203","","","0.71073","MoKα","","0.0517","0.0371","","","0.0765","0.0826","","","","","","1.059","","","","has coordinates","279206","2022-11-10","10:38:17",""
"8106067","16.349","0.003","5.0828","0.001","12.183","0.002","90","","109.29","0.03","90","","955.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Ca N0 O8 S2 -","- C14 H22 Ca O8 S2 -","- C28 H44 Ca2 O16 S4 -","2","0.5","","Xi-Shi, Tai; Peng-Fei, Li","The crystal structure of trans-tetraaqua-bis(p-tolylsulfinato-κO)calcium(II)), C14H22O8S2Ca","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","119","120","10.1515/ncrs-2017-0206","","","0.71073","MoKα","","0.0383","0.0376","","","0.1105","0.1129","","","","","","1.06","","","","has coordinates","279207","2022-11-10","10:40:38",""
"8106068","14.203","0.003","11.036","0.002","14.303","0.003","90","","109.91","0.03","90","","2107.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 N5 O -","- C11 H9 N5 O -","- C88 H72 N40 O8 -","8","2","","Xi-Shi, Tai; Peng-Fei, Li","The crystal structure of (E)-N′-(pyridin-2-ylmethylene)pyrazine-2-carbohydrazide, C11H9N5O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","121","122","10.1515/ncrs-2017-0208","","","0.71073","MoKα","","0.0447","0.0381","","","0.1022","0.1119","","","","","","1.096","","","","has coordinates","279208","2022-11-10","10:43:04",""
"8106069","10.3161","0.0003","5.5333","0.0001","29.2019","0.0007","90","","97.341","0.001","90","","1653.24","0.07","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N O -","- C24 H15 N O -","- C96 H60 N4 O4 -","4","1","","Huang, Qiu-Ying; Wang, Hong-Ying; Ren, Su-Juan; Meng, Xiang-Ru","Crystal structure of (E)-3-(pyren-1-yl)-1-(pyridin-4-yl)prop-2-en-1-one, C24H15NO","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","123","124","10.1515/ncrs-2017-0213","","","1.54178","CuKα","","0.0468","0.0423","","","0.1279","0.1344","","","","","","1.008","","","","has coordinates","279209","2022-11-10","10:46:47",""
"8106070","5.7952","0.0003","13.011","0.0007","10.2682","0.0006","90","","98.832","0.001","90","","765.06","0.07","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Co O8 -","- C4 H8 Co O8 -","- C16 H32 Co4 O32 -","4","1","","Feng, Sisi; Ma, Haixia; Zhu, Miaoli","Crystal structure of catena-poly[diaqua-(μ2-tartrato-κ4 O,O′:O′′,O′′′)cobalt(II)], C4H8CoO8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","125","126","10.1515/ncrs-2017-0214","","","0.71073","MoKα","","0.0212","0.0207","","","0.0496","0.0499","","","","","","1.021","","","","has coordinates","279244","2022-11-14","08:41:07",""
"8106071","23.28","0.006","23.28","0.006","4.7191","0.0015","90","","90","","90","","2557.6","1.2","296","2","296.33","","","","","","","","","6","I -4","I -4","82","","","","- C12 H8 Cl F3 N2 O -","- C12 H8 Cl F3 N2 O -","- C96 H64 Cl8 F24 N16 O8 -","8","1","","Bertrand, Jean-Luc; Salas, Cristian O.; Brito, Iván","Crystal structure of 4-chloro-2-methyl-6-(4-(trifluoromethoxy)phenyl)pyrimidine, C12H8ClF3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","127","128","10.1515/ncrs-2017-0215","","","1.54178","CuKα","","0.1204","0.07","","","0.1647","0.1933","","","","","","1.024","","","","has coordinates","279245","2022-11-14","08:44:37",""
"8106072","15.631","0.004","9.865","0.003","17.256","0.003","90","","108.335","0.0011","90","","2525.8","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 F N3 S2 Sn -","- C27 H20 F N3 S2 Sn -","- C108 H80 F4 N12 S8 Sn4 -","4","1","","Meng, Fankun; Jia, Junying; Liu, Hongsheng","Crystal structure of 1-(4-fluorophenyl)-N-(5-((triphenylstannyl)thio)thiophen-2-yl)methanimine, C27H20FN3S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","129","130","10.1515/ncrs-2017-0216","","","0.71073","MoKα","","0.0764","0.0398","","","0.0763","0.0917","","","","","","1.042","","","","has coordinates","279246","2022-11-14","08:47:22",""
"8106073","6.2909","0.0002","7.4103","0.0002","24.7079","0.0006","90","","97.396","0.002","90","","1142.24","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N3 O S2 -","- C10 H8 F N3 O S2 -","- C40 H32 F4 N12 O4 S8 -","4","1","","Li, Xin-Hong; Qin, Zhao-Xian; Cao, Sheng-Li","Crystal structure of methyl (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C10H8FN3OS2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","131","132","10.1515/ncrs-2017-0218","","","0.71073","MoKα","","0.0427","0.0375","","","0.0963","0.1014","","","","","","1.083","","","","has coordinates","279247","2022-11-14","08:50:16",""
"8106074","9.0366","0.0001","10.3253","0.0002","14.9997","0.0002","72.79","0.001","82.301","0.001","71.08","0.001","1263.54","0.03","271.2","0.2","271.2","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 N5 O4 S2 -","- C22 H31 N5 O4 S2 -","- C44 H62 N10 O8 S4 -","2","1","","Li, Xin-Hong; Qin, Zhao-Xian; Cao, Sheng-Li","Crystal structure of tert-butyl (Z)-4-(2-(5-methoxy-3-(2-((methylthio)carbonothioyl)hydrazono)-2-oxoindolin-1-yl)ethyl)piperazine-1-carboxylate, C22H31N5O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","133","135","10.1515/ncrs-2017-0219","","x-ray","1.54184","CuKα","","0.0499","0.0443","","","0.1254","0.1294","","","","","","1.095","","","","has coordinates","279248","2022-11-14","08:52:53",""
"8106075","7.6394","0.0015","9.2445","0.0018","11.428","0.002","98.75","0.03","106.34","0.03","91.18","0.03","763.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Cl0 N3 O2 S -","- C16 H15 N3 O2 S -","- C32 H30 N6 O4 S2 -","2","1","","Xi-Shi, Tai; Peng-Fei, Li; Qing-Yun, Liu","The crystal structure of (E)-2-((2-(o-tolylcarbamothioyl)hydrazono)methyl)benzoic acid, C16H15N3O2S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","137","138","10.1515/ncrs-2017-0221","","","0.71073","MoKα","","0.0573","0.0548","","","0.1384","0.1411","","","","","","1.014","","","","has coordinates","279249","2022-11-14","08:57:15",""
"8106076","11.8482","0.0003","12.8044","0.0003","15.6562","0.0004","77.694","0.002","84.144","0.002","89.029","0.002","2308.48","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-chloro-1,3-di-<i>tert</i>-pentyl-4,4-diphenyl-1,3,2λ^3^,4- diazaphosphasiletidine","","- C22 H32 Cl N2 P Si -","- C22 H32 Cl N2 P Si -","- C88 H128 Cl4 N8 P4 Si4 -","4","2","","Mo, Dennis; Serio, Marcel; Frank, Walter","Crystal structure of 2-chloro-1,3-di-tert-pentyl-4,4-diphenyl-1,3,2λ 3,4-diazaphosphasiletidine, C22H32ClN2PSi","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","139","142","10.1515/ncrs-2017-0226","","","0.71073","MoKα","","0.0589","0.0527","","","0.1117","0.1148","","","","","","1.165","","","","has coordinates,has disorder","279250","2022-11-14","08:59:42",""
"8106077","3.993","0.0007","26.483","0.005","10.3307","0.0019","90","","98.136","0.004","90","","1081.4","0.3","293","","292.89","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ester","","- C24 H18 O8 -","- C24 H18 O8 -","- C48 H36 O16 -","2","0.5","","Lu, Xinhua; Hu, Jin; Zhu, Caixia","Crystal structure of tetramethyl 5,5′-(buta-1,3-diyne-1,4-diyl)diisophthalate, C24H18O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","143","144","10.1515/ncrs-2017-0228","","","0.71073","MoKα","","0.0817","0.0606","","","0.1773","0.1986","","","","","","1.092","","","","has coordinates","279251","2022-11-14","09:23:42",""
"8106078","30.474","0.009","9.331","0.002","26.269","0.007","90","","112.591","0.003","90","","6897","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C304 H320 N32 O48 -","16","2","","Yu, Yuanyuan","Crystal structural of 2-amino-4-(4-methoxyphenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C19H20N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","145","146","10.1515/ncrs-2017-0231","","","0.71073","MoKα","","0.0585","0.0462","","","0.1227","0.1379","","","","","","1.066","","","","has coordinates","279252","2022-11-14","09:28:59",""
"8106079","17.8622","0.0004","17.8622","0.0004","12.5153","0.0003","90","","90","","120","","3458.13","0.14","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C5 H11 N O Si -","- C5 H11 N O Si -","- C90 H198 N18 O18 Si18 -","18","1","","Tong, Ya-Yan; Xu, Bo; Yin, Guang-Da; Song, Rong-Fei; Guo, Li-Bing; Zhao, Pei-Zheng","Crystal structure of 1,3,5-tris((trimethylsilyl)methyl)-1,3,5-triazinane-2,4,6-trione, C15H33N3O3Si3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","147","148","10.1515/ncrs-2017-0236","","x-ray","1.54184","CuKα","","0.0723","0.0689","","","0.1808","0.1876","","","","","","1.0308","","","","has coordinates","279253","2022-11-14","09:33:18",""
"8106080","14.2364","0.0004","14.2364","0.0004","20.541","0.0007","90","","90","","90","","4163.1","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","bis(2-benzoyl-5-hydroxylphenolato)copper","","- C26 H18 Cu O6 -","- C26 H18 Cu O6 -","- C208 H144 Cu8 O48 -","8","0.5","","Wang, Hui; Xiao, Zi-Jing","The crystal structure of bis(2-benzoyl-5-hydroxylphenolato-κ2 O,O′)copper(II), C26H18CuO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","149","150","10.1515/ncrs-2017-0239","","","0.71073","MoKα","","0.0697","0.0482","","","0.1306","0.1476","","","","","","1.061","","","","has coordinates","279254","2022-11-14","09:36:52",""
"8106081","9.255","0.006","9.819","0.006","14.497","0.009","105.186","0.007","90.03","0.007","102.228","0.007","1240.4","1.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 Br N13 -","- C23 H22 Br N13 -","- C46 H44 Br2 N26 -","2","1","","Zhen, Zhiqiang","Crystal structure of 2,6-bis(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)pyridine – 1-ethyl-3-methyl-1H-imidazol-3-ium bromide (1/1), C23H22N13Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","151","152","10.1515/ncrs-2017-0247","","","0.71073","MoKα","","0.072","0.0434","","","0.098","0.1116","","","","","","1.014","","","","has coordinates","279255","2022-11-14","09:39:28",""
"8106082","19.436","0.003","6.1396","0.0006","16.362","0.003","90","","108.1","0.016","90","","1855.8","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O2 S -","- C21 H20 N2 O2 S -","- C84 H80 N8 O8 S4 -","4","1","","Guan, Xiao-Yu; Zhang, Liang-Dong; Liu, Zhang-Qin; Guo, Xin; Ma, Xuebing","The crystal structure of (E)-N-benzyl-N′-benzylidene-4-methylbenzenesulfonohydrazide, C21H20N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","153","154","10.1515/ncrs-2017-0256","","x-ray","0.71073","MoKα","","0.0606","0.0502","","","0.1169","0.1224","","","","","","1.138","","","","has coordinates","279256","2022-11-14","09:43:27",""
"8106083","8.132","0.007","8.762","0.007","30.22","0.03","90","","97.189","0.017","90","","2136","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Lv, Liangjun; Hao, Zhengli; Lin, Long; Wang, Yuan","Crystal structure of ethyl (E)-5-((2-(3-hydroxybenzoyl)hydrazono)methyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate – water – ethanol (1/1/1), C19H27N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","155","156","10.1515/ncrs-2017-0268","","","0.71073","MoKα","","0.1308","0.0579","","","0.1468","0.1892","","","","","","0.995","","","","has coordinates","279257","2022-11-14","09:46:19",""
"8106084","4.996","0.0004","6.9139","0.0005","20.765","0.0015","83.718","0.006","84.805","0.006","78.648","0.006","697.25","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C32 H30 N2 O8 -","2","1","","Kirca, Başak Koşar","The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C16H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","157","158","10.1515/ncrs-2017-0276","","x-ray","0.71073","MoKα","","0.1039","0.048","","","0.0838","0.0988","","","","","","0.931","","","","has coordinates","279258","2022-11-14","09:49:10",""
"8106085","20.192","0.007","16.448","0.005","14.15","0.005","90","","102.368","0.008","90","","4590","3","98","2","98","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H27 N4 O S4 Zn -","- C17 H27 N4 O S4 Zn -","- C136 H216 N32 O8 S32 Zn8 -","8","1","","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R.T.","Crystal structure of (μ 2-N,N′-bis((pyridin-4-yl)methyl)ethanediamide-κ2 N:N′)-tetrakis(diethylcarbamodithioato-κ2 S,S′)dizinc(II), C34H54N8O2S8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","159","161","10.1515/ncrs-2017-0297","","","0.71069","MoKα","","0.0592","0.0521","","","0.1191","0.1231","","","","","","1.131","","","","has coordinates","279259","2022-11-14","09:52:35",""
"8106086","23.686","0.009","11.727","0.005","12.001","0.005","90","","94.852","0.004","90","","3322","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 N9 O15 Pr -","- C24 H36 N9 O15 Pr -","- C96 H144 N36 O60 Pr4 -","4","0.5","","Li, Dongjiao; Zhao, Zhiyuan; Yao, Xiuxiu; Chen, Zhen; Wu, Xiaoqiang; Zheng, Xiuwen","Crystal structure and optical properties of diaqua-tris(nitrato-κ2 O,O′)-bis(4,4,5,5-tetramethyl-2-(p-pyridyl)imidazoline-1-oxyl 3-oxide-κN)praseodymium(III), C24H36N9O15Pr","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","163","164","10.1515/ncrs-2016-0395","","","0.71073","MoKα","","0.0298","0.0282","","","0.076","0.0769","","","","","","1.071","","","","has coordinates","279280","2022-11-15","08:08:41",""
"8106087","8.2828","0.0012","10.428","0.002","12.152","0.003","113.44","0.02","93.369","0.016","107.89","0.016","896.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Mn2 N2 O14 -","- C38 H38 Mn2 N2 O14 -","- C38 H38 Mn2 N2 O14 -","1","0.5","","Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia","Crystal structure of dimethanol-bis(μ2-methanol-κ2 O:O)-bis{3-((4-methoxy-2-oxidobenzylidene)amino)-2-oxo-2H-chromen-4-olato-κ3 O,N,O′}dimanganese(II), C38H38Mn2N2O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","165","167","10.1515/ncrs-2017-0098","","","0.71073","MoKα","","0.0929","0.0587","","","0.1043","0.1288","","","","","","1.06","","","","has coordinates","279281","2022-11-15","08:11:47",""
"8106088","16.776","0.008","24.193","0.012","7.657","0.004","90","","101.11","0.007","90","","3049","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Ca2 Cl8 N4 O12 -","- C56 H48 Ca2 Cl8 N4 O12 -","- C112 H96 Ca4 Cl16 N8 O24 -","2","0.5","","Duan, Ying; Li, Shi-Hui","Crystal structure of catena-poly[diaqua-bis(μ2-2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ3 O,O′:O′)calcium(II)], C56H48N4Ca2Cl8O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","169","171","10.1515/ncrs-2017-0109","","","0.71073","MoKα","","0.16","0.0685","","","0.1287","0.1663","","","","","","0.99","","","","has coordinates","279282","2022-11-15","08:40:58",""
"8106089","8.6404","0.0005","21.0392","0.0012","12.258","0.0006","90","","96.839","0.005","90","","2212.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N8 Ni2 O14 -","- C40 H48 N8 Ni2 O14 -","- C80 H96 N16 Ni4 O28 -","2","0.5","","Song, Wei; Li, Shi-Hui; Xu, Xue-Li","Crystal structure of catena-poly[triaqua-(isophthalato-κO)-(μ2-1,6-di(1H-imidazol-1-yl)hexane-κ2 N:N′)]nickel(II), C20H28N4NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","173","175","10.1515/ncrs-2017-0132","","","0.71073","MoKα","","0.0577","0.0476","","","0.1033","0.1092","","","","","","1.056","","","","has coordinates","279283","2022-11-15","08:44:29",""
"8106090","8.2977","0.0005","10.2955","0.0006","12.0979","0.0009","103.879","0.006","100.039","0.006","104.567","0.005","940.31","0.12","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Cd2 N10 O16 S2 -","- C24 H42 Cd2 N10 O16 S2 -","- C24 H42 Cd2 N10 O16 S2 -","1","0.5","","Wang, Xia; Li, Han-Bing; Cheng, Di; Zhang, Shu-Ling","Crystal structure of cyclo[hexaqua-bis[1-[(2-ethyl-1H-imidazol-1-yl) methyl]-1H-benzotriazole-κ2 N:N′]-bis(sulfato-κ1 O)dicadmium(II)] monohydrate, C24H42Cd2N10O16S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","177","178","10.1515/ncrs-2017-0140","","","0.7107","MoKα","","0.0325","0.0282","","","0.0699","0.0745","","","","","","1.012","","","","has coordinates,has disorder","279284","2022-11-15","08:47:03",""
"8106091","11.071","0.0003","25.4046","0.0007","11.7681","0.0003","90","","93.496","0.001","90","","3303.67","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 F2 Mn N4 O6 -","- C38 H28 F2 Mn N4 O6 -","- C152 H112 F8 Mn4 N16 O24 -","4","1","","Jin, Zhu-Nian; Zhang, Bi-Song","Crystal Structure of bis(2-fluorbenzoato-κO)-bis(1,10-phenanthroline-κ2 N,N′)manganese(II) dihydrate, C38H28F2MnN4O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","179","181","10.1515/ncrs-2017-0147","","","0.71073","MoKα","","0.0838","0.054","","","0.1329","0.1504","","","","","","1.071","","","","has coordinates,has disorder","279285","2022-11-15","08:57:24",""
"8106092","16.475","0.007","8.582","0.004","17.579","0.008","90","","103.371","0.005","90","","2418.1","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H41 N O9 -","- C20 H41 N O9 -","- C80 H164 N4 O36 -","4","1","","Liu, Yalin; Li, Qiufang","Crystal structure of tetrapropylammonium 5-hydroxyisophthalate tetrahydrate, C20H41NO9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","183","184","10.1515/ncrs-2017-0151","","x-ray","0.71073","MoKα","","0.0757","0.0456","","","0.12","0.1378","","","","","","1.027","","","","has coordinates","279286","2022-11-15","09:00:08",""
"8106093","23.554","0.002","9.306","0.0008","15.7691","0.0015","90","","93.372","0.009","90","","3450.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Br N2 O2 -","- C18 H17 Br N2 O2 -","- C144 H136 Br8 N16 O16 -","8","1","","Song, Jing","Crystal structural of 2-amino-4-(3-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo[b]pyran, C18H17BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","185","186","10.1515/ncrs-2017-0158","","","0.71073","MoKα","","0.0942","0.0521","","","0.1376","0.1686","","","","","","0.949","","","","has coordinates","279287","2022-11-15","09:08:27",""
"8106094","8.6539","0.0004","16.7491","0.0009","10.5511","0.0005","90","","104.304","0.005","90","","1481.92","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Su, Yi-Yan","Crystal structural of 2-amino-4-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C17H16N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","187","188","10.1515/ncrs-2017-0162","","","0.71073","MoKα","","0.0633","0.0431","","","0.103","0.1206","","","","","","1.0276","","","","has coordinates","279288","2022-11-15","09:11:07",""
"8106095","10.0887","0.0015","11.2076","0.0017","13.277","0.002","87.78","0.002","72.138","0.002","67.129","0.002","1311","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N4 Ni O5 -","- C29 H30 N4 Ni O5 -","- C58 H60 N8 Ni2 O10 -","2","1","","Zhou, Zhan; Zhou, Zhe; Jing, Peng-Jing","Crystal structure of catena-poly[aqua(μ2-1,3-bis(1H-benzo[d]imidazol-1-yl)propane-κ2 N:N′)-(μ2-5-(tert-butyl)isophthalate-κ3 O,O′:O′′)nickel(II)], C29H30N4NiO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","189","191","10.1515/ncrs-2017-0171","","","0.71073","MoKα","","0.0755","0.0461","","","0.0925","0.1048","","","","","","1.004","","","","has coordinates","279289","2022-11-15","09:16:26",""
"8106096","7.674","0.0006","8.6401","0.0008","8.8869","0.0009","109.201","0.002","106.629","0.001","105.41","0.001","489.21","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cu2 N8 O2 -","- C18 H16 Cu2 N8 O2 -","- C18 H16 Cu2 N8 O2 -","1","0.5","","Xiangqing, Fang; Jiajia, Xu; Qi, Wu; Liguo, Yang; Ya, Li","Crystal structure of catena-poly[(μ 2-dicyanamido-κ 2 N:N′)-(μ 2-2-(pyridin-2-yl)ethan-1-olato-κ 3 N,O:O′)copper(II)], C9H8CuN4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","193","194","10.1515/ncrs-2017-0186","","","0.71073","MoKα","","0.0537","0.0406","","","0.0928","0.0993","","","","","","0.971","","","","has coordinates","279290","2022-11-15","09:57:22",""
"8106097","11.8142","0.001","45.481","0.004","9.254","0.0008","90","","97.886","0.002","90","","4925.4","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Cu N4 O4 -","- C24 H32 Cu N4 O4 -","- C192 H256 Cu8 N32 O32 -","8","2","","Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan","Crystal structure of bis(5,5′-((butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido-k4 N,N′,N′′,N′′′)copper(II), C24H32CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","195","197","10.1515/ncrs-2017-0189","","","0.71073","MoKα","","0.079","0.0501","","","0.1081","0.1188","","","","","","1.039","","","","has coordinates","279291","2022-11-15","10:02:26",""
"8106098","8.1564","0.0016","16.937","0.003","24.686","0.005","90","","90","","90","","3410.2","1.1","153","2","153.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C152 H216 N8 O24 -","8","2","","Wang, Hui P.; Xu, Juan; Ning, Li F.; Li, Peng; Chen, Xiao F.","The crystal structure of the formamide solvate of (17b)-estra-1,3,5(10)-triene-3,17diol, C19H27NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","199","201","10.1515/ncrs-2017-0198","","","0.71073","MoKα","","0.0719","0.0651","","","0.1298","0.1345","","","","","","1.124","","","","has coordinates","279292","2022-11-15","10:06:49",""
"8106099","16.1598","0.0008","8.7803","0.0005","14.1809","0.0011","90","","118.197","0.001","90","","1773.32","0.19","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N4 Ni O8 -","- C16 H18 N4 Ni O8 -","- C64 H72 N16 Ni4 O32 -","4","0.5","","Xin, Wang; Qingyun, Liu; Liguo, Yang; Nana, Liu; Yuqiang, Dai","Crystal structure of catena-poly[diaqua-bis(μ2-1H-benzo[d]imidazole-5-carboxylato-κ2 N:O)nickel(II)] dihydrate, C16H18N4NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","203","204","10.1515/ncrs-2017-0199","","","0.71073","MoKα","","0.0236","0.022","","","0.0584","0.0598","","","","","","1.035","","","","has coordinates","279293","2022-11-15","10:10:31",""
"8106100","10.192","0.0014","19.055","0.002","13.5243","0.0017","90","","103.394","0.002","90","","2555.1","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H38 B10 Br2 Ni P2 -","- C14 H38 B10 Br2 Ni P2 -","- C56 H152 B40 Br8 Ni4 P8 -","4","1","","Liguo, Yang; Qingyun, Liu; Xin, Wang; Qianqian, Gao; Yuqiang, Dai","Crystal structure of dibromido[(1,2-bis(diisopropylphosphino)-1,2-dicarba-closo-dodecaborane-κ2 P,P′]nickel(II), C14H38B10NiBr2P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","205","207","10.1515/ncrs-2017-0200","","","0.71073","MoKα","","0.1048","0.0461","","","0.0728","0.0869","","","","","","1","","","","has coordinates","279294","2022-11-15","10:12:57",""
"8106101","17.225","0.004","14.918","0.003","11.589","0.003","90","","118.957","0.003","90","","2605.6","1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H26 Cl2 Cu N2 O7 -","- C26 H26 Cl2 Cu N2 O7 -","- C104 H104 Cl8 Cu4 N8 O28 -","4","1","","Gao, Xiaoli; Zhu, Kai; Wang, Wenmin; Lu, Liping","The crystal structure of catena-poly[aquachlorido(3,3′-([4,4′-bipyridine]-1,1′-diium-1,1′-diylbis(methylene))dibenzoato-κ2 O:O′)copper(II)] chloride dihydrate, C26H26Cl2CuN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","209","211","10.1515/ncrs-2017-0201","","","0.71073","MoKα","","0.0374","0.0334","","","0.0794","0.0819","","","","","","1.012","","","","has coordinates","279295","2022-11-15","10:15:20",""
"8106102","8.6321","0.0017","12.12","0.002","13.54","0.003","90","","90","","90","","1416.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","Li-Hua, Wang; Qing-Yun, Liu; Xi-Shi, Tai","The crystal structure of N′-(2-nitrobenzylidene)-2-phenylacetohydrazide, C15H13N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","213","214","10.1515/ncrs-2017-0205","","","0.71073","MoKα","","0.0519","0.0453","","","0.1076","0.1141","","","","","","1.026","","","","has coordinates","279296","2022-11-15","10:18:19",""
"8106103","15.6291","0.0006","12.8859","0.0004","14.7622","0.0005","90","","97.781","0.003","90","","2945.66","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd Cl2 N10 -","- C30 H26 Cd Cl2 N10 -","- C120 H104 Cd4 Cl8 N40 -","4","0.5","","Wang, Xia; Ling, Ning; Li, Yu-Xian; Zhang, Shu-Ling","Crystal structure of dichlorido bis[1-[(2-methyl-1H-benzoimidazol-1-yl)methyl]-1H-benzotriazole-κ1 N]cadmium(II), C30H26CdCl2N10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","215","216","10.1515/ncrs-2017-0211","","x-ray","0.71073","MoKα","","0.0521","0.0381","","","0.0681","0.0738","","","","","","1.019","","","","has coordinates","279307","2022-11-16","08:30:32",""
"8106104","16.3499","0.0016","14.0411","0.0013","12.7069","0.0013","90","","104.019","0.002","90","","2830.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu N10 O9 S -","- C24 H28 Cu N10 O9 S -","- C96 H112 Cu4 N40 O36 S4 -","4","1","","Fu, Ai-Yun","Crystal structure of aqua-bis(3-(2-pyridyl)-5-(4-pyridyl)-1H-1,2,4-triazole-κ2 N,N′)copper(II) sulfate tetrahydrate, C24H28CuN10O9S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","217","219","10.1515/ncrs-2017-0224","","","0.71073","MoKα","","0.0881","0.0472","","","0.0994","0.1165","","","","","","1.032","","","","has coordinates","279308","2022-11-16","08:33:44",""
"8106105","10.3844","0.0005","6.7833","0.0003","19.0379","0.0009","90","","102.143","0.002","90","","1311.03","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10.93 H14 Br2.07 O0.93 Os -","- C10.933 H14 Br2.067 O0.933 Os -","- C43.732 H56 Br8.268 O3.732 Os4 -","4","1","","Clayton, Hadley S.","Crystal structure of dibromido-carbonyl-(η6-p-cymene)osmium(II), C11H14Br2OOs","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","221","222","10.1515/ncrs-2017-0227","","x-ray","0.71073","MoKα","","0.0282","0.0258","","","0.0574","0.0582","","","","","","1.213","","","","has coordinates,has disorder","279309","2022-11-16","08:36:44",""
"8106106","12.915","0.003","10.784","0.003","6.8037","0.0018","90","","90","","90","","947.6","0.4","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Cl2 Cu N4 -","- C6 H8 Cl2 Cu N4 -","- C24 H32 Cl8 Cu4 N16 -","4","0.5","","Zhang, Hong","Crystal structure of catena-poly[chlorido-(μ2-chlorido)-bis(imidazole-κN)copper(II)] C6H8Cl2CuN4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","223","224","10.1515/ncrs-2017-0230","","","0.71073","MoKα","","0.0458","0.0368","","","0.0857","0.0905","","","","","","1.054","","","","has coordinates,has disorder","279310","2022-11-16","08:41:52",""
"8106107","13.064","0.007","15.655","0.008","16.652","0.009","90","","95.83","0.007","90","","3388","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H54 B10 Br2 Ni P2 -","- C26 H54 B10 Br2 Ni P2 -","- C104 H216 B40 Br8 Ni4 P8 -","4","0.5","","Liguo, Yang; Qingyun, Liu; Xin, Wang; Nana, Liu; Yuqiang, Dai","Crystal structure of [(1,2-bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane-κ2 P,P′]dibromidonickel(II)), C26H54B10NiBr2P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","225","227","10.1515/ncrs-2017-0233","","","0.71073","MoKα","","0.127","0.0603","","","0.1114","0.1364","","","","","","1","","","","has coordinates","279311","2022-11-16","08:44:11",""
"8106108","9.6794","0.0011","9.7989","0.001","18.2141","0.0019","95.874","0.001","99.935","0.001","115.596","0.002","1503.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl2 Fe P2 Zn -","- C34 H28 Cl2 Fe P2 Zn -","- C68 H56 Cl4 Fe2 P4 Zn2 -","2","1","","Liguo, Yang; Xin, Wang; Qingyun, Liu; Nana, Liu; Yuqiang, Dai","Crystal structure of dichlorido[1,1′-bis(diphenylphosphanyl)ferrocene-κ2 P,P′]zinc(II), C34H28FeCl2P2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","229","231","10.1515/ncrs-2017-0234","","","0.71073","MoKα","","0.0578","0.0362","","","0.0823","0.0964","","","","","","0.998","","","","has coordinates","279312","2022-11-16","08:46:24",""
"8106109","10.5658","0.0009","11.1693","0.0011","11.7054","0.0014","79.2","0.001","84.714","0.001","89.519","0.002","1351.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Co2 N6 O3 S3 -","- C24 H24 Co2 N6 O3 S3 -","- C48 H48 Co4 N12 O6 S6 -","2","1","","Yanfei, Wang; Nana, Liu; Qingyun, Liu; Liguo, Yang; Aimin, Wei","Crystal structure of tris(μ2-2-(pyridin-2-yl)ethan-1-olato-κ3 N,O:O)-trithiocyanato-κN-dicobalt(III), C24H24Co2N6O3S3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","233","234","10.1515/ncrs-2017-0235","","","0.71073","MoKα","","0.0818","0.0482","","","0.1104","0.1213","","","","","","1","","","","has coordinates","279313","2022-11-16","08:53:52",""
"8106110","7.9912","0.0008","11.8174","0.0009","12.7781","0.0015","112.855","0.009","97.649","0.009","91.215","0.007","1098.6","0.2","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl Mn N2 O8 -","- C20 H24 Cl Mn N2 O8 -","- C40 H48 Cl2 Mn2 N4 O16 -","2","1","","Ju, Hongping; Chen, Zihao; Qin, Jing; Lang, Yu; Ren, Yunhui; Li, Ping; Li, Nan; Zhou, Kaihua","The crystal structure of diaqua-2,2′-((cyclohexane-1,2-diylbis(azanylylidene))bis(methanylylidene))diphenolato-κ4 N,N′,O,O′)manganese(III) perchlorate, C20H24MnClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","235","237","10.1515/ncrs-2017-0237","","","0.71073","MoKα","","0.0657","0.0491","","","0.1202","0.1319","","","","","","1.05","","","","has coordinates","279314","2022-11-16","09:13:52",""
"8106111","13.1085","0.0007","13.4704","0.0007","18.8367","0.001","88.604","0.005","88.255","0.004","68.282","0.005","3088.3","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C151 H140 Cl4 Co2 Li4 O4 -","- C151 H140 Cl4 Co2 Li4 O4 -","- C151 H140 Cl4 Co2 Li4 O4 -","1","0.5","","Bu, Donglei; Chen, Xiaodan; Meng, Miao; Zhu, Feifeng; Lei, Hao","Crystal structure of bis(μ3-chlorido)-bis(μ2-chlorido)-tetrakis(μ2-2,6-bis (diphenylmethyl)-4-t-butylphenolato)tetralithium(I)dicobalt(II) toluene solvate, C75.5H70Cl2CoLi2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","239","241","10.1515/ncrs-2017-0238","","x-ray","1.54184","CuKα","","0.1118","0.0666","","","0.1526","0.1743","","","","","","1.034","","","","has coordinates,has disorder","279315","2022-11-16","09:16:55",""
"8106112","10.5441","0.0004","31.1092","0.0009","12.0993","0.0004","90","","114.398","0.004","90","","3614.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Er2 N18 O32 -","- C60 H76 Er2 N18 O32 -","- C120 H152 Er4 N36 O64 -","2","0.5","","Zhang, Fang; Huang, Fang; Huang, Xiaodong; Lu, Yanhua; Chen, Qifan; Liu, Fei","The crystal structure of hexaaqua-bis(μ2-3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κ2 O:O′)-tetrakis(3-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)propanoato-κO)dierbium(III) octahydrate, C60H76N18O32Er2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","243","245","10.1515/ncrs-2017-0242","","","0.71073","MoKα","","0.0523","0.0431","","","0.0773","0.0805","","","","","","1.155","","","","has coordinates","279316","2022-11-16","09:19:25",""
"8106113","32.303","0.004","8.2703","0.0006","7.3876","0.0006","90","","92.889","0.008","90","","1971.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 B N O4 -","- C22 H20 B N O4 -","- C88 H80 B4 N4 O16 -","4","0.5","","Tombul, Mustafa; Güven, Kutalmış; Bulut, Adnan; Svoboda, Ingrid; Fuess, Hartmut","Crystal structure of dimethylammonium bis(naphthalene-2,3-diolato)borate, C22H20BNO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","247","249","10.1515/ncrs-2017-0250","","","0.71073","MoKα","","0.1452","0.0978","","","0.1804","0.2063","","","","","","1.166","","","","has coordinates","279317","2022-11-16","09:24:25",""
"8106114","9.582","0.0006","16.5417","0.0011","10.6951","0.0007","90","","111.06","0.008","90","","1582","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Song, Jing","Crystal structure of 2-amino-4-(4-nitro-phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C18H17N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","251","252","10.1515/ncrs-2017-0252","","","0.71073","MoKα","","0.0594","0.0437","","","0.1166","0.1307","","","","","","1.013","","","","has coordinates","279318","2022-11-16","09:32:55",""
"8106115","13.997","0.005","4.6734","0.0015","18.019","0.007","90","","102.714","0.005","90","","1149.8","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl N2 O -","- C13 H11 Cl N2 O -","- C52 H44 Cl4 N8 O4 -","4","1","","Pu, Xiaohua","The crystal structure of (E)-4-chloro-2-(((5-methylpyridin-2-yl)imino)methyl)phenol, C13H11ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","253","254","10.1515/ncrs-2017-0254","","","0.71073","MoKα","","0.0569","0.0481","","","0.1091","0.1141","","","","","","1.134","","","","has coordinates","279319","2022-11-16","09:35:34",""
"8106116","23.95","0.004","13.76","0.002","20.011","0.003","90","","114.565","0.007","90","","5997.8","1.6","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H36 N2 Se7 Sn3 -","- C14 H36 N2 Se7 Sn3 -","- C112 H288 N16 Se56 Sn24 -","8","1","","Kim, Kang-Woo; Heo, Man-Young","Crystal structure of bis(N,N,N-trimethylbutanaminium) poly[heptaselenidotristannate(IV)], C14H36N2Se7Sn3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","255","257","10.1515/ncrs-2017-0255","","","0.71073","MoKα","","0.0683","0.0546","","","0.1342","0.1393","","","","","","1.095","","","","has coordinates","279320","2022-11-16","09:38:36",""
"8106117","10.3965","0.0004","10.7525","0.0005","12.2772","0.0006","86.651","0.004","86.653","0.004","75.323","0.004","1324.05","0.11","290.55","0.1","290.55","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 N O3 S -","- C28 H35 N O3 S -","- C56 H70 N2 O6 S2 -","2","1","","Guan, Xiao-Yu; Liu, Sheng-Shu; Zhang, Liang-Dong; Guo, Xin; Ma, Xuebing; Liu, Zhang-Qin","The crystal structure of N-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)-4-methylbenzenesulfonamide, C28H35N3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","259","261","10.1515/ncrs-2017-0257","","x-ray","1.54184","CuKα","","0.0516","0.0472","","","0.1242","0.1298","","","","","","1.057","","","","has coordinates","279321","2022-11-16","09:41:02",""
"8106118","7.83","0.002","26.688","0.008","7.362","0.002","90","","115.366","0.003","90","","1390.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 -","- C17 H13 Cl N2 -","- C68 H52 Cl4 N8 -","4","1","","Li, Zhong-Yan; Zhang, Min; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine, C17H13Cl1N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","263","264","10.1515/ncrs-2017-0261","","","0.71073","MoKα","","0.069","0.0604","","","0.1682","0.1761","","","","","","1.054","","","","has coordinates","279322","2022-11-16","09:43:33",""
"8106119","6.5799","0.0005","10.1508","0.0009","15.0983","0.0012","90","","92.313","0.007","90","","1007.61","0.14","297.28","0.1","297.28","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 I O -","- C10 H11 I O -","- C40 H44 I4 O4 -","4","1","","Liu, Hui; Li, Linglan; Zhang, Shu; Miao, Junfeng","The Crystal structure of 2-iodo-1-(p-tolyl)propan-1-one, C10H11IO","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","265","266","10.1515/ncrs-2017-0264","","x-ray","0.71073","MoKα","","0.0436","0.0343","","","0.0797","0.086","","","","","","1.071","","","","has coordinates","279323","2022-11-16","09:46:13",""
"8106120","8.3979","0.0011","10.4083","0.0014","11.1696","0.0015","69.27","0.002","89.401","0.002","73.709","0.002","872.1","0.2","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C38 H34 Br2 N4 O4 -","2","1","","Wang, Zhen-Zhen; You, Jin-Zong; Zhang, Yi-Ping; Tong, Sheng-Yue; Yu, Ke-Ji; Hu, Qiong; Guo, Yan-Qi; Liu, Dan; Qi, De-Qiang","Crystal structure of ethyl 1-(4-bromobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate, C19H17BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","267","268","10.1515/ncrs-2017-0265","","","0.71073","MoKα","","0.0697","0.0422","","","0.1014","0.1138","","","","","","1.047","","","","has coordinates","279324","2022-11-16","09:48:38",""
"8106121","7.8593","0.0019","10.3322","0.0018","10.9747","0.0019","108.914","0.018","92.931","0.003","99.544","0.003","826.1","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 F N2 O2 -","- C19 H17 F N2 O2 -","- C38 H34 F2 N4 O4 -","2","1","","Tong, Sheng-Yue; You, Jin-Zong; Zhang, Yi-Ping; Wang, Zhen-Zhen; Yu, Ke-Ji; Hu, Qiong; Pan, Hui-Juan; Wu, Cheng-Jie; Qi, De-Qiang","Crystal structure of ethyl 1-(4-fluorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate, C19H17FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","269","270","10.1515/ncrs-2017-0266","","","0.71073","MoKα","","0.0575","0.0431","","","0.1062","0.117","","","","","","1.045","","","","has coordinates","279325","2022-11-16","09:51:37",""
"8106122","16.517","0.0011","5.4639","0.0003","11.5875","0.0009","90","","108.992","0.008","90","","988.81","0.12","286.74","0.11","286.74","0.11","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Cd O8 -","- C8 H8 Cd O8 -","- C32 H32 Cd4 O32 -","4","0.5","","Xue, Li-ping","Crystal structure of catena-poly[diaqua-(μ2-2,5-dihydroxyterephthalato-κ4 O,O′:O′′,O′′′)cadmium(II)], C8H8O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","271","272","10.1515/ncrs-2017-0270","","x-ray","0.71073","MoKα","","0.0207","0.0196","","","0.0502","0.051","","","","","","1.12","","","","has coordinates","279326","2022-11-16","09:56:04",""
"8106123","6.2576","0.0006","6.9645","0.0008","12.1262","0.0015","78.536","0.01","86.677","0.009","72.34","0.009","493.52","0.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N6 O8 Zn -","- C18 H20 N6 O8 Zn -","- C18 H20 N6 O8 Zn -","1","0.5","","Li, Zhao-Hao","Crystal structure of tetraaqua-bis[6-(1H-imidazol-1-yl-κN)nicotinato]zinc(II), C18H20N6O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","273","274","10.1515/ncrs-2017-0271","","x-ray","0.71073","MoKα","","0.0721","0.0603","","","0.1248","0.129","","","","","","1.206","","","","has coordinates","279327","2022-11-16","10:16:57",""
"8106124","14.8239","0.0003","16.2169","0.0002","15.6515","0.0003","90","","109.889","0.001","90","","3538.16","0.11","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35.5 H31 Cl2 Cu N4 O4.5 -","- C35.5 H31 Cl2 Cu N4 O4.5 -","- C142 H124 Cl8 Cu4 N16 O18 -","4","1","","Chen, Liang; Wu, Wei-Na","Crystal structure of dichlorido-bis(N-phenyl-2-(quinolin-8-yloxy)acetamide-κ2 N,O) – acetone (2/1), C35.5H31N4O4.5Cl2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","275","277","10.1515/ncrs-2017-0275","","","0.71073","MoKα","","0.1015","0.0499","","","0.1303","0.1577","","","","","","1.018","","","","has coordinates,has disorder","279328","2022-11-16","10:19:47",""
"8106125","9.1571","0.0018","10.505","0.002","11.576","0.002","94.509","0.004","92.57","0.004","102.312","0.003","1082.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N3 O5 -","- C20 H29 N3 O5 -","- C40 H58 N6 O10 -","2","1","","Wu, Hao; Hu, Qiang; Wang, Yuan","Crystal Structure of ethyl (E)-3,4-dimethyl-5-((2-(4-methylbenzoyl)hydrazono)methyl)-1H-pyrrole-2-carboxylate — water — ethanol (1/1/1), C20H29N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","279","280","10.1515/ncrs-2017-0278","","","0.71073","MoKα","","0.112","0.0543","","","0.1385","0.1704","","","","","","1.031","","","","has coordinates,has disorder","279345","2022-11-17","08:22:37",""
"8106126","14.2134","0.0009","21.4083","0.0013","7.6709","0.0005","90","","99.26","0.006","90","","2303.7","0.3","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl4 N3 O3 S -","- C20 H19 Cl4 N3 O3 S -","- C80 H76 Cl16 N12 O12 S4 -","4","1","","Wang, An-Jia; Zhang, Yun-Hui; Zhang, Zhi; Weng, Ai-Zhen; Wang, Liu-Yang; She, Dong-Mei; Ning, Jun; Si, Wei-Jie; Mei, Xiang-Dong","Crystal structure of 5-((4-(1H-benzo[d]imidazol-2-yl)-2-methoxyphenoxy)methyl)-2-chlorothiazole - trichloromethane - methanol (1/1/1), C20H19Cl4N3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","281","282","10.1515/ncrs-2017-0279","","x-ray","0.71073","MoKα","","0.0705","0.0659","","","0.1647","0.1682","","","","","","1.046","","","","has coordinates","279346","2022-11-17","08:25:26",""
"8106127","7.8545","0.0006","10.8802","0.0009","12.3714","0.0009","73.2","0.007","75.372","0.006","71.091","0.007","942.65","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H34 N4 O -","- C2.10526 H3.57895 N0.421053 O0.105263 -","- C40 H68 N8 O2 -","19","19","","Cheng, Xing-An; Zhan-Mei, Liu; Bo, Wu; Su-Qing, Huang; Xia-Ling, Xiong; Xu-Hong, Jiang","The crystal structure of a matrine derivative: 41 S,7aS,12S,13aR,13bR)-12-(4-methylpiperazin-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one, C20H34N4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","283","285","10.1515/ncrs-2017-0282","","","1.54178","CuKα","","0.0598","0.0591","","","0.1632","0.1641","","","","","","1.026","","","","has coordinates","279347","2022-11-17","08:31:00",""
"8106128","15.0612","0.0003","11.0386","0.0002","15.5316","0.0003","90","","90","","90","","2582.2","0.09","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Be3 Cs2 O14 P4 -","- Be3 Cs2 O14 P4 -","- Be24 Cs16 O112 P32 -","8","1","","Fang, Wang; Yigang, Chen","Crystal structure of cesium beryllophosphate, Be3Cs2P4O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","287","288","10.1515/ncrs-2017-0288","","","0.71073","MoKα","","0.0279","0.0229","","","0.0569","0.0594","","","","","","1.071","","","","has coordinates","279348","2022-11-17","09:11:57",""
"8106129","10.347","0.0003","7.9347","0.0002","17.0947","0.0004","90","","90","","90","","1403.48","0.06","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Wang, Wan-Wan; Chen, Xing-Ying; Wu, Wei-Na","Crystal Structure of 3-((3-hydroxybenzyl)ammonio)-3-phenylpropanoate, C16H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","289","290","10.1515/ncrs-2017-0289","","","0.71073","MoKα","","0.0597","0.0427","","","0.0946","0.1044","","","","","","1.023","","","","has coordinates","279349","2022-11-17","09:16:22",""
"8106130","28.3651","0.0008","22.8464","0.0006","7.1341","0.0002","90","","90","","90","","4623.2","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C48 H54 Cl2 N2 O17 -","- C48 H54 Cl2 N2 O17 -","- C192 H216 Cl8 N8 O68 -","4","0.5","","Zhang, Mei; Lou, Benyong; Huang, Xiaodong; Huang, Yali","Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride — 4-hydroxy-3-methoxybenzoic acid — water (2/1/5), C48H54N2Cl2O17","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","291","293","10.1515/ncrs-2017-0293","","","1.54178","CuKα","","0.0485","0.0437","","","0.1179","0.1225","","","","","","1.038","","","","has coordinates","279350","2022-11-17","09:31:01",""
"8106131","10.749","0.001","9.837","0.0008","11.9621","0.0013","90","","113.03","0.004","90","","1164.04","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>R</i>, 2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-diferrocenyl-1,2- cyclohexanedicarboxamide","","- C28 H30 Fe2 N2 O2 -","- C28 H30 Fe2 N2 O2 -","- C56 H60 Fe4 N4 O4 -","2","1","","Zábranský, Martin; Leitner, Zdeněk; Štěpnička, Petr","The crystal structure of (1R, 2R)-N 1,N 2-diferrocenyl-1,2-cyclohexanedicarboxamide, C28H30Fe2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","295","298","10.1515/ncrs-2017-0294","","","0.71073","MoKα","","0.0469","0.0358","","","0.0581","0.0612","","","","","","0.98","","","","has coordinates","279351","2022-11-17","09:35:28",""
"8106132","7.2099","0.0005","9.9751","0.0006","15.0463","0.0009","80.56","0.005","81.827","0.005","73.887","0.006","1020.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","2","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of N-(2-methylphenyl)ethoxycarbothioamide, C10H13NOS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","299","301","10.1515/ncrs-2017-0295","","","1.54184","CuKα","","0.058","0.0547","","","0.1787","0.1857","","","","","","1.102","","","","has coordinates","279352","2022-11-17","09:37:54",""
"8106133","12.8132","0.0012","21.4531","0.0019","15.3438","0.0014","90","","114.308","0.002","90","","3843.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 S -","- C17 H23 N3 O5 S -","- C136 H184 N24 O40 S8 -","8","2","","Lu, Zhongliang; Ren, Jingzhang; Wu, Wei-Na","Crystal Structure of ethyl (E)-2,4-dimethyl-5-((2-tosylhydrazono)methyl)-1H-pyrrole-3-carboxylate monohydrate, C17H23N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","303","305","10.1515/ncrs-2017-0303","","","0.71073","MoKα","","0.1251","0.0652","","","0.1877","0.2297","","","","","","1.023","","","","has coordinates","279353","2022-11-17","09:40:53",""
"8106134","12.32","0.01","8.952","0.007","21.533","0.016","90","","92.892","0.013","90","","2372","3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cd I2 N5 O2 S0 -","- C19 H19 Cd I2 N5 O2 -","- C76 H76 Cd4 I8 N20 O8 -","4","1","","Xu, Zhi-Hong; Wu, Wei-Na","Crystal structure of Diiodo-(N′-((quinolin-8-yl)methylene)isonicotinohydrazide κ3 N,N′,O)cadium(II) – dimethylformamide (1/1), C19H19N5O2CdI2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","307","308","10.1515/ncrs-2017-0306","","","0.71073","MoKα","","0.0652","0.0373","","","0.0686","0.0771","","","","","","1.002","","","","has coordinates","279354","2022-11-17","09:43:27",""
"8106135","7.832","0.004","15.641","0.009","14.747","0.008","90","","101.365","0.009","90","","1771.1","1.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cu N6 O7 -","- C16 H12 Cu N6 O7 -","- C64 H48 Cu4 N24 O28 -","4","1","","Xu, Zhi-Hong; Shen, Ye; Wu, Wei-Na","Crystal structure of dinitrato-(N′-((quinolin-8-yl)methylene)isonicotinohydrazide κ3-N,N′,O)copper(II), C16H12N6O7Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","309","310","10.1515/ncrs-2017-0307","","","0.71073","MoKα","","0.0453","0.0338","","","0.0831","0.0885","","","","","","1.036","","","","has coordinates","279355","2022-11-17","09:46:42",""
"8106136","16.5661","0.0008","6.1644","0.0003","23.8822","0.001","90","","114.553","0.003","90","","2218.32","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 Ag N6 O3 P2 -","- C19 H31 Ag N6 O3 P2 -","- C76 H124 Ag4 N24 O12 P8 -","4","1","","Jacobs, Francois J.F.; Venter, Gertruida J.S.; Brink, Alice","Crystal structure of benzoato-κO-bis(1,3,5-triaza-7-phosphaadamantane-κP)silver(I) monohydrate C19H31AgN6O3P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","311","313","10.1515/ncrs-2017-0310","","x-ray","0.71073","MoKα","","0.0206","0.0188","","","0.0512","0.0525","","","","","","1.077","","","","has coordinates","279356","2022-11-17","09:51:34",""
"8106137","19.0479","0.0017","4.7282","0.0004","16.7554","0.0015","90","","114.309","0.001","90","","1375.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C64 H52 N12 S4 -","4","1","","Liu, Chao","Crystal structure of (E)-2-(anthracen-9-ylmethylene)hydrazine-1-carbothioamide, C16H13N3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","315","316","10.1515/ncrs-2017-0313","","","0.71073","MoKα","","0.0644","0.0412","","","0.1162","0.1436","","","","","","1.061","","","","has coordinates","279357","2022-11-17","10:04:52",""
"8106138","8.9735","0.0004","12.2946","0.0007","19.3751","0.0011","90","","90","","90","","2137.6","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione","","- C9 H11 Cl N4 O2 -","- C9 H11 Cl N4 O2 -","- C72 H88 Cl8 N32 O16 -","8","1","","Ali, Syed Saeed; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Bari, Ahmed","The crystal structure of 8-chloro-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, C9H11ClN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","317","318","10.1515/ncrs-2017-0314","","","0.71073","MoKα","","0.0435","0.0355","","","0.1001","0.1087","","","","","","1.072","","","","has coordinates","279358","2022-11-17","10:09:15",""
"8106139","7.746","0.006","12.344","0.009","12.655","0.009","95.766","0.007","98.007","0.007","101.595","0.013","1163.4","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 Cu N4 O4 -","- C23 H30 Cu N4 O4 -","- C46 H60 Cu2 N8 O8 -","2","1","","Han, Xue-Feng; Yang, Qing-Wen; Yang, Miao; Wu, Wei-Na","Crystal structure of {5,5′-((propane-1,3-diylbis(azanylylidene))bis(methanylylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4 N,N′,N′′,N′′′}zinc(II), C23H30N4O4Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","319","320","10.1515/ncrs-2017-0315","","","0.71073","MoKα","","0.0758","0.055","","","0.1434","0.1616","","","","","","1.044","","","","has coordinates,has disorder","279359","2022-11-17","10:14:50",""
"8106140","7.3295","0.0009","8.6026","0.0009","8.8041","0.0011","77.24","0.004","72.215","0.004","71.531","0.004","496.61","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","4-dimethylamino-pyridinium tetrafluorosuccinate","di(4-dimethylamino-pyridinium) tetrafluorosuccinate","","- C18 H22 F4 N4 O4 -","- C18 H22 F4 N4 O4 -","- C18 H22 F4 N4 O4 -","1","0.5","","Liu, Kuanguan; Nie, Jing","Crystal structure of bis(4-dimethylamino-pyridin-1-ium)tetrafluorosuccinate, C18H22F4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","321","323","10.1515/ncrs-2017-0318","","","0.71073","MoKα","","0.1383","0.1022","","","0.1492","0.1587","","","","","","1.328","","","","has coordinates","279360","2022-11-17","10:17:52",""
"8106141","10.355","0.002","17.809","0.004","8.9354","0.0016","90","","97.101","0.004","90","","1635.2","0.6","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N2 O4 -","- C40 H50 N2 O4 -","- C80 H100 N4 O8 -","2","0.5","","Zhu, Hao; Li, Yi-Fan; Guo, Ying-Ying; Liu, Shan; Lan, Han-Yang; Zhuang, Peng-Yu; Zhong, Qi-Di","Crystal structure of dimethyl 3,9-dibenzyl-6,12-dicyclohexyl-3,9-diazahexacyclo [6.4.0.02,7.04,11.05,10]-dodecane-1,11-dicarboxylate, C40H50N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","325","326","10.1515/ncrs-2017-0332","","","0.71073","MoKα","","0.0491","0.0453","","","0.1237","0.127","","","","","","1.071","","","","has coordinates","279361","2022-11-17","10:20:51",""
"8106142","6.9848","0.0014","20.816","0.004","11.543","0.002","90","","99.745","0.005","90","","1654.1","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N2 O6 -","- C42 H42 N2 O6 -","- C84 H84 N4 O12 -","2","0.5","","Zhu, Hao; Guo, Ying-Ying; Liu, Shan; Li, Yi-Fan; Lan, Han-Yang; Zhuang, Peng-Yu; Zhong, Qi-Di","Crystal structure of diethyl 3,9-diphenyl-6,12-bis(3-methoxyphenyl)-3,9-diazahexacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,11-dicarboxylate, C42H42N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","327","328","10.1515/ncrs-2017-0333","","","0.71073","MoKα","","0.0487","0.0377","","","0.0951","0.1019","","","","","","1.017","","","","has coordinates","279362","2022-11-17","10:24:05",""
"8106143","9.3398","0.0013","9.9707","0.0011","12.0063","0.0018","89.829","0.003","71.931","0.002","74.243","0.002","1019","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 N4 Ni O6 -","- C18 H22 N4 Ni O6 -","- C36 H44 N8 Ni2 O12 -","2","1","","Zuo, Jian","Crystal structure of bis(acetato-κO)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2 N,N′)nickel(II), C18H22N4NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","329","330","10.1515/ncrs-2017-0337","","","0.71073","MoKα","","0.0653","0.0472","","","0.1183","0.1305","","","","","","1.062","","","","has coordinates","279363","2022-11-17","10:26:51",""
"8106144","16.0887","0.0002","14.5333","0.0002","20.555","0.0002","90","","90","","90","","4806.21","0.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H23 F N2 O3 Sn -","- C28 H23 F N2 O3 Sn -","- C224 H184 F8 N16 O24 Sn8 -","8","1","","Tan, Yee Seng; Lee, See Mun; Tiekink, Edward R.T.","Crystal structure of (N-(3-ethoxy-2-oxidobenzylidene)-4-fluorobenzohydrazonato-κ3 N,O,O′)-diphenyltin(IV), C28H23FN2O3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","331","333","10.1515/ncrs-2017-0416","","","1.54178","CuKα","","0.0224","0.0199","","","0.0574","0.0596","","","","","","1.015","","","","has coordinates","279364","2022-11-17","10:29:45",""
"8106145","27.112","0.0003","9.5721","0.0001","13.3072","0.0001","90","","98.271","0.001","90","","3417.55","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 F N2 O3 Sn -","- C18 H19 F N2 O3 Sn -","- C144 H152 F8 N16 O24 Sn8 -","8","1","","Lee, See Mun; Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of {N-(3-ethoxy-2-oxidobenzylidene)-4-fluorobenzohydrazonato-κ3 O,N,O′}dimethyltin(IV), C18H19FN2O3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","335","337","10.1515/ncrs-2017-0417","","","1.54178","CuKα","","0.0165","0.0159","","","0.0421","0.0425","","","","","","1.042","","","","has coordinates,has disorder","279365","2022-11-17","10:32:20",""
"8106146","14.3049","0.0006","14.5382","0.0007","15.0065","0.0007","90","","103.185","0.003","90","","3038.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H56 B2 N2 O14 -","- C17 H56 B2 N2 O14 -","- C68 H224 B8 N8 O56 -","4","1","","Wang, Peizhi; Wang, Peiyu; Bai, Ming","Bis(tetraethylammonium) carbonate – boric acid – water (1/2/5), C17H56B2N2O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","339","341","10.1515/ncrs-2016-0360","","","0.71073","MoKα","","0.0881","0.0556","","","0.1592","0.1836","","","","","","1.046","","","","has coordinates","279380","2022-11-18","08:40:40",""
"8106147","7.2709","0.0005","7.3228","0.0005","9.467","0.0007","82.241","0.004","88.161","0.003","70.192","0.005","469.84","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","4-methoxy-6-phenyl-2H-pyran-2-one","","- C12 H10 O3 -","- C12 H10 O3 -","- C24 H20 O6 -","2","1","","Obi, Grace; Zamisa, Sizwe J.; Heerden, Fanie R.","Crystal structure of 4-methoxy-6-phenyl-2H-pyran-2-one, C12H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","343","344","10.1515/ncrs-2017-0068","","","0.71073","MoKα","","0.0413","0.037","","","0.1035","0.1082","","","","","","1.07","","","","has coordinates","279381","2022-11-18","08:45:30",""
"8106148","13.6074","0.0019","13.9185","0.0017","15.837","0.002","81.196","0.004","86.607","0.004","81.665","0.004","2930.7","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Co2 N9 O15 -","- C60 H50 Co2 N9 O15 -","- C120 H100 Co4 N18 O30 -","2","1","","Li, Jing; Cheng, Zi-Heng; Jia, Hao-Ran; Yang, Fu-Wen; Yu, Bin; Sun, Yin-Xia","Crystal structure of tris{(3-((E)-(((E)-2-oxidobenzylidene)hydrazono)methyl)-2-oxo-2H-chromen-4-olato-κ3 O,N:N′)}dicobalt(III)tris(dimethylformamide), C60H50Co2N9O15","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","345","348","10.1515/ncrs-2017-0122","","","0.71073","MoKα","","0.1039","0.0564","","","0.1662","0.201","","","","","","0.888","","","","has coordinates","279382","2022-11-18","08:49:16",""
"8106149","9.2909","0.0002","16.8888","0.0004","19.3547","0.0006","90","","98.924","0.003","90","","3000.22","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N4 O16 S4 Zn3 -","- C22 H22 N4 O16 S4 Zn3 -","- C88 H88 N16 O64 S16 Zn12 -","4","1","","Fu, Hong-Ru; Wang, Kai-Lu; Zhao, Xiao-Xiao","Crystal structure of poly[bis(1-methyl-[4,4′-bipyridin]-1-ium-κN)-tetrakis(μ3-sulfato-κ3 O:O′:O′′)trizinc(II)], C22H22Zn3N4O16S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","349","351","10.1515/ncrs-2017-0177","","x-ray","0.71073","MoKα","","0.046","0.0401","","","0.0912","0.0942","","","","","","1.039","","","","has coordinates","279383","2022-11-18","08:52:33",""
"8106150","6.869","0.002","18.535","0.007","21.199","0.007","90","","90","","90","","2699","1.6","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H22 Cl2 Cu N4 O2 -","- C31 H22 Cl2 Cu N4 O2 -","- C124 H88 Cl8 Cu4 N16 O8 -","4","0.5","","Chen, Shi-Jun; Li, Shi-Hui; Huang, Yao; Liu, Bin; Xiong, Ting-Song; Cui, Jun; Shen, Xiao-Shuang; Chen, Deng-Qian","Crystal structure of (5Z,10Z)-3,13-dichloro-17,18-dioxo-5,11-diphenyl-8,9,17,18-tetrahydro-7H-dibenzo[e,n][1,4,8,12]tetraazacyclopentadecine-16,19-diido-κ4 N,N′,N′′,N′′′)copper(II), C31H22N4O2Cl2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","353","354","10.1515/ncrs-2017-0182","","","0.71073","MoKα","","0.0566","0.0385","","","0.0796","0.1036","","","","","","1.119","","","","has coordinates","279384","2022-11-18","08:55:43",""
"8106151","9.1202","0.0006","12.2985","0.0008","12.9973","0.0009","83.799","0.002","76.063","0.002","81.385","0.002","1395.02","0.16","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N2 O8 Zn -","- C34 H24 N2 O8 Zn -","- C68 H48 N4 O16 Zn2 -","2","1","","Zhang, Ping; Wang, Yan-Bin; Su, Qiong","Crystal structure of bis{5-methoxy-2-(((2-oxo-2H-chromen-6-yl)imino)methyl)phenolato-κ2 N,O}zinc(II), C34H24N2O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","355","357","10.1515/ncrs-2017-0220","","","0.71073","MoKα","","0.0354","0.0292","","","0.0666","0.0691","","","","","","1.049","","","","has coordinates","279385","2022-11-18","09:18:31",""
"8106152","10.989","0.004","10.989","0.005","18.47","0.002","90","","90","","90","","2230.4","1.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C28 H22 N2 Ni O4 -","- C28 H22 N2 Ni O4 -","- C112 H88 N8 Ni4 O16 -","4","0.5","","Xu, Qiang; Zhao, Yan Ling; Luo, Xiao Fang; Zhou, Ming Wei; Li, Guo qiang","Crystal structure of 2,2′-((((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))diphenolato-κ2 N;κ4 O)nickel(II), C28H22N2O4Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","359","360","10.1515/ncrs-2017-0222","","","0.71073","MoKα","","0.1313","0.0571","","","0.1123","0.1382","","","","","","0.963","","","","has coordinates","279386","2022-11-18","09:21:00",""
"8106153","43.23","0.014","17.1","0.006","11.275","0.004","90","","103.112","0.004","90","","8118","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Co N2 O4 -","- C36 H26 Co N2 O4 -","- C432 H312 Co12 N24 O48 -","12","1.5","","Li, Guo Qiang; Zhao, Yan Ling; Jiang, Yong Sen; Yu, Yun Chun; Fang, Jun Ran; Xu, Qiang","Crystal structure of 1,1′-((1E,1′E)-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-olato)cobalt(II), C36H26N2O4Co","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","361","363","10.1515/ncrs-2017-0223","","","0.71073","MoKα","","0.0598","0.037","","","0.0842","0.0931","","","","","","1.086","","","","has coordinates","279387","2022-11-18","09:23:42",""
"8106154","8.0094","0.0005","6.7689","0.0003","29.577","0.002","90","","95.809","0.006","90","","1595.28","0.16","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","monoclinic","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","2","","Tan, Zhuo-Jie; Wang, Yun-Bo; Yang, Quan-Nu; Li, Yao-Lan; Wang, Guo-Cai; Ouyang, Yong-Zhong; Li, Guo-Qiang","Crystal structure of camptothecin, C20H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","365","367","10.1515/ncrs-2017-0244","","","1.54178","CuKα","","0.0654","0.0457","","","0.1056","0.1209","","","","","","1.009","","","","has coordinates","279388","2022-11-18","09:27:18",""
"8106155","10.333","0.004","26.305","0.009","12.64","0.005","90","","102.421","0.004","90","","3355","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Cl2 N4 Ni O9 -","- C28 H50 Cl2 N4 Ni O9 -","- C112 H200 Cl8 N16 Ni4 O36 -","4","1","","Ou, Guang-Chuan; Jia, Guo-Kai; Zeng, Fei; Tan, Ying-zhi; Wang, Qiong","Crystal structure of (2-(chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylato–κ2 O,O′)(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, Ni(C16H36N4)(C12H12O4Cl)ClO4⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","369","370","10.1515/ncrs-2017-0253","","","0.71073","MoKα","","0.0531","0.0391","","","0.1013","0.109","","","","","","1.038","","","","has coordinates","279389","2022-11-18","09:29:52",""
"8106156","11.2461","0.0018","15.967","0.002","9.2864","0.0013","90","","106.77","0.009","90","","1596.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Fernández-Galleguillos, Carlos; Bórquez, Jorge; Cárdenas, Alejandro; Brito, Iván","Crystal structure of 3-(2-chloro-6-methoxyquinolin-3-yl)-5-phenylisoxazole (C19H13ClN2O2)","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","371","372","10.1515/ncrs-2017-0258","","","1.54178","CuKα","","0.1735","0.067","","","0.1243","0.1606","","","","","","1.378","","","","has coordinates","279390","2022-11-18","09:34:47",""
"8106157","11.1061","0.001","20.5117","0.0017","9.8185","0.0009","90","","101.302","0.002","90","","2193.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cu2 N4 O8 -","- C44 H56 Cu2 N4 O8 -","- C88 H112 Cu4 N8 O16 -","2","0.5","","Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.","Crystal structure of tetrakis(μ2-acetato-κ2 O:O′)-bis{[(E)-2,6-diisopropyl-N-(pyridin-3-ylmethylene)aniline]copper (II)}, C44H56Cu2N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","373","375","10.1515/ncrs-2017-0259","","","0.71073","MoKα","","0.0375","0.0283","","","0.0716","0.0753","","","","","","1.03","","","","has coordinates","279391","2022-11-18","09:37:29",""
"8106158","7.827","0.008","9.253","0.009","12.978","0.013","101.91","0.011","100.04","0.011","110.345","0.01","830.7","1.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 Cl O6 -","- C16 H19 Cl O6 -","- C32 H38 Cl2 O12 -","2","1","","Yuan, Lin; Zhang, Min; Yuan, Xian-You; Liu, Fang","Crystal structure of diethyl 2-(2-chlorophenyl)-1,3-dioxane-5,5-dicarboxylate, C16H19Cl1O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","377","378","10.1515/ncrs-2017-0260","","","0.71073","MoKα","","0.037","0.0334","","","0.0873","0.0909","","","","","","1.031","","","","has coordinates","279392","2022-11-18","09:41:09",""
"8106159","25.731","0.005","9.94","0.002","26.574","0.005","90","","114.825","0.004","90","","6169","2","173","2","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H92 Cl2 N12 Ni2 O14 -","- C50 H92 Cl2 N12 Ni2 O14 -","- C200 H368 Cl8 N48 Ni8 O56 -","4","0.5","","Li, Huan-Yong; Lin, Wang; Han, Feng-Xian; Ou, Guang-Chuan","Crystal structure of (μ2-2,2′-bipyridine-3,3′-dicarboxylato)-bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)-di-nickel(II) perchlorate N,N′-dimethylformamide solvate, C50H92Cl2N12Ni2O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","379","381","10.1515/ncrs-2017-0269","","","0.71073","MoKα","","0.1135","0.0675","","","0.1822","0.2209","","","","","","1.0487","","","","has coordinates,has disorder","279393","2022-11-18","09:44:15",""
"8106160","10.6451","0.0005","12.1086","0.0006","17.26","0.0007","76.624","0.004","72.2","0.004","70.802","0.005","1979.18","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N8 Ni O12 -","- C36 H44 N8 Ni O12 -","- C72 H88 N16 Ni2 O24 -","2","1","","Wang, Yu-Fang; Wei, Jing-Jing; Zhai, Xiao-Hui","Crystal structure of catena-poly[triaqua(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)-(1,2-bis(4-pyridyl)ethane-κN)nickel(II)] 2-aminonicotinate nitrate – 1,2-bis(4-pyridyl)ethane – water (2/1/8), C36H44N8NiO12","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","383","385","10.1515/ncrs-2017-0273","","x-ray","0.71073","MoKα","","0.0551","0.0414","","","0.1005","0.1058","","","","","","1.038","","","","has coordinates","279394","2022-11-18","09:47:21",""
"8106161","7.9208","0.0004","10.2954","0.0004","13.1361","0.0007","72.719","0.004","79.598","0.005","85.19","0.004","1005.53","0.09","264","1","264","1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Cu N O9 -","- C22 H14 Cu N O9 -","- C44 H28 Cu2 N2 O18 -","2","1","","Yun-Ping, Li; Feng-Yang, Ju","Hydrothermal synthesis and crystal structure of poly[bis(μ2-3-(3,5-dicarboxyphenoxy)phthalato-κ3 O,O′:O′′)-(μ2-1,2-di(pyridin-4-yl)ethane-κ2 N:N′)copper(II)], C22H14CuNO9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","387","389","10.1515/ncrs-2017-0281","","x-ray","0.71073","MoKα","","0.0499","0.0423","","","0.102","0.1051","","","","","","1.122","","","","has coordinates","279395","2022-11-18","10:12:08",""
"8106162","14.4634","0.0011","17.7866","0.0018","20.5509","0.0019","90","","90","","90","","5286.8","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H52 Ag2 N2 O6 P2 -","- C61 H52 Ag2 N2 O6 P2 -","- C244 H208 Ag8 N8 O24 P8 -","4","1","","Zhu, Ning; Ma, Yan; Liu, Jian-Ming; Li, Yue-Xue; Liu, Min; Xin, Xiu-Lan; Jin, Qiong-Hua","Crystal structure of catena-poly[aqua-(methanol-κO)-bis(μ2-4-(pyridin-4-yl)benzoato-κ2 N:O)-bis(triphenylphospine-κP)disilver(I)], C61H52Ag2N2O6P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","391","393","10.1515/ncrs-2017-0284","","","0.71073","MoKα","","0.098","0.0424","","","0.0769","0.0997","","","","","","1.027","","","","has coordinates","279396","2022-11-18","10:19:54",""
"8106163","15.889","0.012","16.332","0.013","7.324","0.005","90","","94.985","0.005","90","","1893","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N3 O2 -","- C22 H20 Br N3 O2 -","- C88 H80 Br4 N12 O8 -","4","1","","Alexander, Orbett T.; Donka, Rajasekhar; Tonder, Johannes H. van; Bezuidenhoudt, Barend C.B.; Visser, Hendrik G.","The crystal structure of 6-(4-bromobenzyl)-1,3,5-trimethyl-7-phenyl-1,5-dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione, C22H20BrN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","395","397","10.1515/ncrs-2017-0296","","","0.71069","MoKα","","0.0391","0.0295","","","0.0745","0.079","","","","","","1.032","","","","has coordinates","279397","2022-11-18","10:23:18",""
"8106164","7.3158","0.0002","13.6944","0.0005","20.4081","0.0006","82.93","0.003","89.667","0.002","88.034","0.003","2027.85","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cl4 N4 O4 Zn -","- C44 H32 Cl4 N4 O4 Zn -","- C88 H64 Cl8 N8 O8 Zn2 -","2","1","","Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui","Synthesis and crystal structure of catena-poly[bis(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κO;κ2 O′,O′′)-(μ2-1,4-di(pyridin-4-yl)benzene-κ2 N:N′)zinc(II)], C44H32N4ZnCl4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","399","401","10.1515/ncrs-2017-0301","","","1.54178","CuKα","","0.0451","0.043","","","0.1136","0.1159","","","","","","1.026","","","","has coordinates","279398","2022-11-18","10:26:49",""
"8106165","28.5754","0.0011","9.2819","0.0003","20.2035","0.0008","90","","123.576","0.002","90","","4464.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Ce N7 O17 -","- C40 H44 Ce N7 O17 -","- C160 H176 Ce4 N28 O68 -","4","0.5","","Wu, Hao; Li, Hai-Yan; Wu, Wei-Na","Crystal structure of diaqua-bis[N-phenyl-2-(quinolin-8-yloxy)acetamide-κ3-N,O,O′]-nitrato(κ2 O,O′)-cerium(III) dinitrate - acetone (1/2), C40H44N7O17Ce","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","403","404","10.1515/ncrs-2017-0302","","","0.71073","MoKα","","0.0401","0.0321","","","0.0801","0.0844","","","","","","1.077","","","","has coordinates","279399","2022-11-18","10:29:03",""
"8106166","13.2393","0.0008","8.6608","0.0005","22.4553","0.0012","90","","91.073","0.002","90","","2574.3","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Co N6 O5 -","- C28 H26 Co N6 O5 -","- C112 H104 Co4 N24 O20 -","4","1","","Ling-Yun, Xin; Yun-Ping, Li; Guang-Zhen, Liu","Crystal structure of the 2D coordination polymer poly[aqua(μ2-2,2′-(1,2-phenylene)diacetato-κ3 O,O′:O′)-(μ2-4,4′-bis((1H-1,2,4-triazol-1-yl)methyl)-1,1′-biphenyl-κ2 N:N′)cobalt(II)], C28H26CoN6O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","405","407","10.1515/ncrs-2017-0308","","","0.71073","MoKα","","0.0494","0.0327","","","0.0726","0.0804","","","","","","1.022","","","","has coordinates","279400","2022-11-18","10:31:53",""
"8106167","15.595","0.004","10.993","0.003","18.66","0.005","90","","114.536","0.004","90","","2910.1","1.3","293","","293","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 Br2 Cl N3 Na Ni O9 -","- C25 H23 Br2 Cl N3 Na Ni O9 -","- C100 H92 Br8 Cl4 N12 Na4 Ni4 O36 -","4","1","","Meng, Qingguo; Yue, Chen; Yu, Jiangkun; Liu, Qingyun; Lu, Jitao","Crystal structure of (dimethylformamide-κO)(perchlorato-κ2 O,O′){μ2-6,6′-((1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(4-bromo-2-methoxyphenolate)-κ8 N,N′,O:O,O′:O′,O′′,O′′′}sodium(I)nickel(II), C25H23Br2ClN3NaNiO9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","409","411","10.1515/ncrs-2017-0309","","","0.71073","MoKα","","0.0865","0.039","","","0.0842","0.0998","","","","","","1","","","","has coordinates,has disorder","279401","2022-11-18","10:34:57",""
"8106168","24.243","0.004","11.2766","0.0017","15.799","0.005","90","","127.986","0.002","90","","3404.2","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N10 O6 S2 Zn -","- C32 H34 N10 O6 S2 Zn -","- C128 H136 N40 O24 S8 Zn4 -","4","0.5","","Zhang, Xiaofeng; Cao, Yi; Wang, Yanwei; Wang, Shimin; Xu, Zhizhong","The crystal structure of catena-poly[bis((4-aminophenyl)sulfonyl)(pyrimidin-2-yl)amido-κ2 N,N′)-bis(μ2-4,4′-bipyridine-N,N′-κ2 N:N′)zinc(II) – methanol (1/2), C32H34N10O6S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","413","415","10.1515/ncrs-2017-0319","","","0.71073","MoKα","","0.0566","0.0432","","","0.1053","0.1146","","","","","","1.039","","","","has coordinates","279402","2022-11-18","10:37:19",""
"8106169","8.2627","0.0012","8.649","0.0011","14.1791","0.0017","82.883","0.01","76.954","0.012","69.729","0.012","924.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N Na O11 S -","- C18 H18 N Na O11 S -","- C36 H36 N2 Na2 O22 S2 -","2","1","","Chen, Hai-Lin; Lai, Hong-Fang; Qin, Yong-Ling; Guo, Yue-Ning; Chen, Ting; Huang, Xiao-Yuan","Synthesis and crystal structure poly[aqua(μ3-2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetate-κ4 O,O′:O′′:O′′′) sodium] monohydrate, C18H18NNaO11S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","417","419","10.1515/ncrs-2017-0321","","","0.71073","MoKα","","0.076","0.0574","","","0.1416","0.1609","","","","","","1.05","","","","has coordinates","279417","2022-11-21","08:03:32",""
"8106170","16.873","0.004","6.2095","0.0016","16.992","0.004","90","","100.775","0.004","90","","1748.9","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Zhang, Mao-Yuan; Shi, Da-Bin","Crystal structure of methyl 4′-amino-3′,5′-diisopropyl-[1,1′-biphenyl]-4-carboxylate, C20H25NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","421","422","10.1515/ncrs-2017-0324","","","0.71073","MoKα","","0.074","0.0473","","","0.1176","0.1417","","","","","","1.05","","","","has coordinates","279418","2022-11-21","08:06:18",""
"8106171","15.0181","0.0003","10.3983","0.0002","16.6496","0.0003","90","","112.459","0.001","90","","2402.84","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl4 N2 O4 Ru -","- C22 H22 Cl4 N2 O4 Ru -","- C88 H88 Cl16 N8 O16 Ru4 -","4","1","","Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.","Crystal structure of (η 6-1-isopropyl-4-methyl benzene)-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) perchlorate, C22H22Cl4N2O4Ru","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","423","425","10.1515/ncrs-2017-0327","","","0.71073","MoKα","","0.0198","0.018","","","0.046","0.0474","","","","","","1.059","","","","has coordinates","279419","2022-11-21","08:10:12",""
"8106172","9.9215","0.0008","9.5992","0.0007","16.5801","0.0013","90","","92.702","0.001","90","","1577.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl2 N3 O S -","- C14 H15 Cl2 N3 O S -","- C56 H60 Cl8 N12 O4 S4 -","4","1","","Tao, Lu; Xu-Liang, Nie; Zhong-Chao, Li; Ping, Lin; Xin-Chen, Shang-guan; Zhong-Ping, Yin; Da-Yong, Peng","Crystal structure of 2-(2-(1-Chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl)-1H-1,2,4-triazole-3(2H)-thione, C14H15Cl2N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","427","429","10.1515/ncrs-2017-0328","","","0.71073","MoKα","","0.0316","0.0284","","","0.072","0.0751","","","","","","1.044","","","","has coordinates","279420","2022-11-21","08:13:06",""
"8106173","6.3761","0.0002","12.0521","0.0004","17.3288","0.0005","90","","90","","90","","1331.64","0.07","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Zhang, Mao-Yuan; Shi, Da-Bin","Crystal structure of methyl 4′-amino-3′,5′-dimethyl-[1,1′-biphenyl]-4-carboxylate, C16H17NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","431","433","10.1515/ncrs-2017-0329","","","1.54178","CuKα","","0.048","0.0462","","","0.1216","0.1243","","","","","","1.033","","","","has coordinates","279421","2022-11-21","08:16:34",""
"8106174","10.9948","0.0006","21.9829","0.001","7.8962","0.0004","90","","108.643","0.002","90","","1808.35","0.16","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F3 Fe N2 O -","- C19 H19 F3 Fe N2 O -","- C76 H76 F12 Fe4 N8 O4 -","4","1","","Zhou, Ben-Guo; Zhang, Li-Na","The crystal structure of 1-(5-ferrocenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)pentan-1-on, C19H19F3FeN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","435","436","10.1515/ncrs-2017-0330","","","0.71073","MoKα","","0.054","0.038","","","0.086","0.0934","","","","","","1.045","","","","has coordinates","279422","2022-11-21","08:37:45",""
"8106175","8.0343","0.0008","17.7992","0.0016","24.153","0.003","90","","90","","90","","3454","0.6","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,12<i>R</i>,20<i>R</i>,24<i>S</i>)-3,12-diacetyl-20,24-epoxy- dammarane-3,12,25-triol","","- C34 H56 O6 -","- C34 H56 O6 -","- C136 H224 O24 -","4","1","","Hongzhang, Liu; Yingting, Wang","The crystal structure of (3S,12R,20R,24S)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25-triol acetone solvate, C34H56O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","437","439","10.1515/ncrs-2017-0331","","","1.54178","CuKα","","0.1396","0.0642","","","0.1182","0.1573","","","","","","0.882","","","","has coordinates","279423","2022-11-21","08:41:56",""
"8106176","22.149","0.002","13.2899","0.0012","10.6679","0.001","90","","90","","90","","3140.2","0.5","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C168 H120 N8 O16 -","8","1","","Huang, Xiang; Shi, Da-Bin","Crystal structure of methyl 10-(pyridin-4-yl)-anthracene-9-carboxylate, C21H15NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","441","443","10.1515/ncrs-2017-0334","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0953","","","","","","1.022","","","","has coordinates","279424","2022-11-21","08:48:32",""
"8106177","6.963","0.0015","9.277","0.0017","9.61","0.0018","69.822","0.002","87.225","0.002","85.559","0.002","580.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 K N6 O14 -","- C14 H25 K N6 O14 -","- C14 H25 K N6 O14 -","1","0.5","","Zuo, Jian","Crystal structure of catena-poly[diaqua-bis(di(N 2,N 6-dihydroxypyridine-2,6-dicarboxamide))potassium(I)]tetrahydrate, C14H25N6O14K","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","445","446","10.1515/ncrs-2017-0338","","","0.71073","MoKα","","0.048","0.0366","","","0.0951","0.1052","","","","","","1.027","","","","has coordinates","279425","2022-11-21","08:53:19",""
"8106178","12.1676","0.0008","13.4592","0.0009","15.5782","0.001","90","","112.131","0.001","90","","2363.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cd N4 O4 -","- C26 H26 Cd N4 O4 -","- C104 H104 Cd4 N16 O16 -","4","1","","Huang, Wen-bo; Yang, Yan; Suo, Jian","Crystal structure of poly{[μ2-(E)-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene-κ2 N:N′][μ3–cyclohexane-1,4-dicarboxylato-κ4 O,O′:O′′:O′′′]cadmium(II)}, C26H26CdN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","447","448","10.1515/ncrs-2017-0339","","","0.71073","MoKα","","0.034","0.0244","","","0.0547","0.0584","","","","","","1.018","","","","has coordinates","279426","2022-11-21","08:56:52",""
"8106179","9.607","0.006","13.747","0.008","12.754","0.008","90","","105.368","0.007","90","","1624.2","1.7","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O6 Zn -","- C15 H15 N3 O6 Zn -","- C60 H60 N12 O24 Zn4 -","4","1","","Kou, Yingying; Ren, Xianghao; Zhang, Junzhi","Crystal structure of poly[aqua(μ3-[2,2′-bipyridine]-3,3′-dicarboxylato-κ4 N,N′:O:O′)zinc(II)] – dimethylformamide (1/1), C15H15N3O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","449","450","10.1515/ncrs-2017-0341","","","0.7107","MoKα","","0.052","0.0416","","","0.0946","0.1001","","","","","","1.041","","","","has coordinates","279427","2022-11-21","09:22:13",""
"8106180","11.892","0.006","11.206","0.006","20.694","0.011","90","","93.558","0.013","90","","2752","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Co N6 O6 S -","- C30 H24 Co N6 O6 S -","- C120 H96 Co4 N24 O24 S4 -","4","1","","Wang, Di","The crystal structure of poly[tetraaqua-tris(μ2-2,6-di(1H-imidazol-1-yl)naphthalene-κ2 N:N′)-bis(thiophene-2,5-dicarboxylato-κ1 O)]dicobalt(II), C30H24CoN6O6S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","451","453","10.1515/ncrs-2017-0343","","","0.71073","MoKα","","0.0804","0.0413","","","0.0894","0.103","","","","","","1.002","","","","has coordinates","279428","2022-11-21","09:25:25",""
"8106181","22.8108","0.001","9.8328","0.0005","8.7361","0.0003","90","","90","","90","","1959.46","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-propionyl-3-(phenyl)-5-(1-anthryl) pyrazoline","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","","Zhu, Pingting; Zhou, Jiaojiao","Crystal structure of (S)-1-(5-(anthracen-9-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one, C26H22N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","455","456","10.1515/ncrs-2017-0347","","","0.71073","MoKα","","0.053","0.038","","","0.0798","0.0853","","","","","","1.071","","","","has coordinates","279429","2022-11-21","09:30:47",""
"8106182","9.371","0.004","11.397","0.004","9.777","0.004","90","","95.117","0.006","90","","1040","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C50 H50 N2 O4 S2 -","2","1","","Huang, Xie; Wang, Ping-an; He, Wei; Ye, Xiaoxia","Crystal structure of 5-methyl-3,3-diphenyl-1-tosyl-1,2,3,4-tetrahydropyridine, C25H25NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","457","458","10.1515/ncrs-2017-0350","","","0.71073","MoKα","","0.0531","0.0423","","","0.0874","0.0921","","","","","","1.025","","","","has coordinates","279430","2022-11-21","09:39:53",""
"8106183","9.4551","0.0004","19.7133","0.0009","39.693","0.002","90","","90","","90","","7398.4","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 Fe Ni2 O P2 -","- C42 H48 Fe Ni2 O P2 -","- C336 H384 Fe8 Ni16 O8 P16 -","8","1","","Langen, Christina; Bruhn, Clemens; Siemeling, Ulrich","Synthesis and crystal structure of μ-[1,1′-di(mesitylphosphanido)ferrocene]bis[η5-cyclopentadienylnickel(II)] tetrahydrofurane solvate, C42H48FeNi2OP2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","459","461","10.1515/ncrs-2017-0354","","","0.71073","MoKα","","0.1195","0.0598","","","0.126","0.1481","","","","","","1.001","","","","has coordinates","279431","2022-11-21","09:44:03",""
"8106184","33.491","0.011","7.124","0.002","6.1977","0.0019","90","","92.212","0.006","90","","1477.6","0.8","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O2 -","- C16 H15 Cl N2 O2 -","- C64 H60 Cl4 N8 O8 -","4","1","","Ma, Jin-Xia; Li, Qing-Lin; Li, Peng-Peng; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of (E)-1-(4-(((E)-5-chloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H15ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","463","464","10.1515/ncrs-2017-0355","","","0.71073","MoKα","","0.0558","0.0418","","","0.1108","0.1193","","","","","","1.032","","","","has coordinates","279432","2022-11-21","09:49:24",""
"8106185","11.845","0.006","21.937","0.011","9.907","0.005","90","","90","","90","","2574","2","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 N8 Ni O4 S2 -","- C24 H22 N8 Ni O4 S2 -","- C96 H88 N32 Ni4 O16 S8 -","4","0.5","","Wu, Hao; Wu, Wei-Na","Crystal structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)nickel(II), C24H22N8O4S2Ni","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","465","466","10.1515/ncrs-2017-0356","","","0.71073","MoKα","","0.0373","0.0285","","","0.0625","0.0657","","","","","","1.032","","","","has coordinates","279433","2022-11-21","09:58:40",""
"8106186","11.9395","0.0018","21.813","0.003","10.1184","0.0015","90","","90","","90","","2635.2","0.7","296","2","296","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C24 H22 Cu N8 O4 S2 -","- C24 H22 Cu N8 O4 S2 -","- C96 H88 Cu4 N32 O16 S8 -","4","0.5","","Wang, Wan-Wan; Wu, Wei-Na; Wang, Yuan","Crystal Structure of bis(1-(phenylsulfonyl)-2-(1-(pyrazin-2-yl)ethylidene)hydrazin-1-ido-κ3 N,N′,O)copper(II), C24H22N8O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","467","468","10.1515/ncrs-2017-0357","","","0.71073","MoKα","","0.0599","0.0395","","","0.0809","0.0912","","","","","","1.012","","","","has coordinates","279434","2022-11-21","10:02:36",""
"8106187","8.0489","0.0004","10.6418","0.0005","24.485","0.001","90","","90","","90","","2097.26","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N Na O11 S -","- C21 H22 N Na O11 S -","- C84 H88 N4 Na4 O44 S4 -","4","1","","Chen, Hai-Lin; Pan, Li-Wei; Zhang, Hui-Ying; Yin, Xiu-Ju","Synthesis and crystal structure of poly[aqua{μ3-(1S,2S)-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylato-κ4 O,O′:O′′:O′′′}sodium(I)] monohydrate, C21H22NNaO11S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","469","471","10.1515/ncrs-2017-0360","","","1.54178","CuKα","","0.0821","0.0513","","","0.1143","0.135","","","","","","1.038","","","","has coordinates","279435","2022-11-21","10:05:32",""
"8106188","20.997","0.002","4.4785","0.0003","23.242","0.003","90","","113.532","0.014","90","","2003.8","0.4","287","","287","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9.5 H7 F2 I N -","- C9.5 H7 F2 I N -","- C76 H56 F16 I8 N8 -","8","1","","Dang, Limin; Huang, Saijin; Yin, Aiwu","Halogen bonds in the crystal structure of 1,4-diiodotetrafluorobenzene–1,2-bis(4-pyridyl)propane (1/1), C19H14F4I2N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","473","475","10.1515/ncrs-2017-0364","","x-ray","0.71073","MoKα","","0.0374","0.0324","","","0.0684","0.0706","","","","","","1.139","","","","has coordinates","279436","2022-11-21","10:09:03",""
"8106189","9.4123","0.0002","19.2708","0.0004","11.5228","0.0003","90","","107.202","0.002","90","","1996.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 N4 S8 Zn2 -","- C28 H56 N4 S8 Zn2 -","- C56 H112 N8 S16 Zn4 -","2","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of bis(μ-N-i-propyl-N-n-propyldithiocarbamato-κ2 S:S′) bis(N-i-propyl-N-n-propyldithiocarbamato-κ2 S,S′)dizinc(II), C28H56N4S8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","477","479","10.1515/ncrs-2017-0366","","","0.71073","MoKα","","0.0324","0.0254","","","0.0538","0.0572","","","","","","1.037","","","","has coordinates","279437","2022-11-21","10:11:21",""
"8106190","9.9003","0.0003","11.7373","0.0003","17.4539","0.0005","90","","102.999","0.003","90","","1976.22","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 Cd2 N4 S8 -","- C28 H56 Cd2 N4 S8 -","- C56 H112 Cd4 N8 S16 -","2","0.5","","Tan, Yee Seng; Tiekink, Edward R.T.","Crystal structure of bis(μ-N-i-propyl-N-n-propyldithiocarbamato-κ3 S,S′:S)bis(N-i-propyl-N-n-propyldithiocarbamato-κ2 S,S′)dicadmium(II), C28H56Cd2N4S8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","481","483","10.1515/ncrs-2017-0367","","","0.71073","MoKα","","0.0289","0.0243","","","0.055","0.0582","","","","","","1.013","","","","has coordinates","279438","2022-11-21","10:14:15",""
"8106191","10.3013","0.0002","11.3471","0.0002","14.5967","0.0003","72.54","0.002","73.074","0.002","85.369","0.002","1557.05","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H36 N2 O6 Re2 S4 -","- C24 H36 N2 O6 Re2 S4 -","- C48 H72 N4 O12 Re4 S8 -","2","1","","Heard, Peter J.; Halcovitch, Nathan R.; Mun, Lee See; Tiekink, Edward R.T.","Crystal structure of bis(μ2-di-n-butyldithiocarbamato-κ3 S,S′:S;κ3 S:S:S′)-hexacarbonyl-di-rhenium(I), C24H36N2O6Re2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","485","487","10.1515/ncrs-2017-0370","","x-ray","0.71073","MoKα","","0.0256","0.0214","","","0.0449","0.0466","","","","","","1.012","","","","has coordinates","279439","2022-11-21","10:17:22",""
"8106192","7.3455","0.0001","12.247","0.0001","12.1689","0.0001","90","","103.505","0.001","90","","1064.45","0.02","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N5 -","- C12 H11 N5 -","- C48 H44 N20 -","4","1","","Lim, Felicia Phei Lin; Dolzhenko, Anton V.; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of 7-(4-methylphenyl)imidazo[1,2-a][1,3,5]triazin-4-amine, C12H11N5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","489","490","10.1515/ncrs-2017-0371","","x-ray","1.54184","CuKα","","0.0365","0.0355","","","0.0973","0.0987","","","","","","1.015","","","","has coordinates","279455","2022-11-22","09:33:57",""
"8106193","5.8595","0.0003","9.2967","0.0004","14.0545","0.0008","83.32","0.004","89.24","0.004","74.524","0.004","732.71","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N2 O S -","- C15 H17 N2 O S -","- C30 H34 N4 O2 S2 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of the co-crystal O-isopropyl phenylcarbamothioate – 4,4′-bipyridine (2/1), C15H17N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","491","492","10.1515/ncrs-2017-0374","","","0.71073","","","0.0621","0.0458","","","0.1128","0.1231","","","","","","1.045","","","","has coordinates","279456","2022-11-22","09:47:41",""
"8106194","5.6017","0.0004","10.7601","0.0008","10.4036","0.0008","90","","95.697","0.002","90","","623.98","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl Cu N3 O3 -","- C10 H16 Cl Cu N3 O3 -","- C20 H32 Cl2 Cu2 N6 O6 -","2","1","","Messali, Mouslim; Ati, Rafika El; Touzani, Rachid; Aouad, Mohamed Reda; Warad, Ismail","Crystal structure of the coordination polymer catena-poly[chlorido-{μ2-2-(((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amino)-3-hydroxybutanoato-κ4 N,N,O:O′}copper(II)], C11H16ClCuN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","493","494","10.1515/ncrs-2017-0383","","","1.54178","CuKα","","0.0321","0.0321","","","0.0833","0.0833","","","","","","1.023","","","","has coordinates","279457","2022-11-22","09:50:56",""
"8106195","11.4561","0.0008","13.1859","0.0008","13.5063","0.0011","109.62","0.007","101.234","0.007","114.469","0.006","1611.1","0.3","173.69","0.1","173.69","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 N8 Ni3 O18 -","- C58 H86 N8 Ni3 O18 -","- C58 H86 N8 Ni3 O18 -","1","0.5","","Zong-Li, Ren; Xiao-Xin, An; Ling-Zhi, Liu; Peng-Fei, Lan; Wen-Kui, Dong","Synthesis and crystal structure of bis(μ2-acetato-κ2 O:O′)-di(ethanol)-bis{μ2-5-(N,N′-diethylamine)-5′-methoxyl-2,2′-[ethylenediyldioxybis(nitrilomethylidyne)]diphenolato-κ6 O:O,N,N,O′:O′}trinickel(II) – ethanol – acetonitrile (1/2/2), C58H86Ni3N8O18","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","495","497","10.1515/ncrs-2017-0388","","x-ray","0.71073","MoKα","","0.0716","0.0518","","","0.1145","0.1315","","","","","","1.032","","","","has coordinates,has disorder","279458","2022-11-22","10:04:37",""
"8106196","10.145","0.0006","11.6401","0.0011","11.8506","0.001","102.85","0.008","105.028","0.006","94.135","0.006","1305.14","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O2 S2 -","- C28 H30 N4 O2 S2 -","- C56 H60 N8 O4 S4 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of the bis((E)-O-ethyl-N-phenylthiocarbamate) – 4,4′-bipyridine co-crystal (2/1), C28H30N4O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","499","501","10.1515/ncrs-2017-0398","","","1.54184","CuKα","","0.0558","0.0468","","","0.1284","0.1385","","","","","","1.053","","","","has coordinates","279459","2022-11-22","10:07:48",""
"8106197","13.4754","0.0003","13.8997","0.0003","18.03","0.0004","90","","107.202","0.003","90","","3226.03","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N3 O S -","- C18 H17 N3 O S -","- C144 H136 N24 O8 S8 -","8","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of the (E)-O-methyl-N-phenyl-thiocarbamate – 4,4′-bipyridine (1/1), C18H17N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","503","505","10.1515/ncrs-2017-0401","","","1.54184","CuKα","","0.0379","0.0341","","","0.0846","0.0878","","","","","","1.05","","","","has coordinates","279460","2022-11-22","10:12:40",""
"8106198","9.9626","0.0003","11.0489","0.0003","12.3604","0.0003","106.205","0.003","99.165","0.002","100.306","0.003","1253.53","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H86 Cu2 N2 P2 S4 -","- C46 H86 Cu2 N2 P2 S4 -","- C46 H86 Cu2 N2 P2 S4 -","1","0.5","","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis(μ 2-diethyldithiocarbamato-κ 3 S,S′:S′)-bis(tricyclohexylphosphane-κP)dicopper(I), C46H86Cu2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","507","509","10.1515/ncrs-2017-0402","","","0.71073","MoKα","","0.0256","0.0232","","","0.0544","0.0555","","","","","","1.004","","","","has coordinates","279461","2022-11-22","10:16:09",""
"8106199","18.8783","0.0006","4.5518","0.0002","23.6739","0.0008","90","","91.501","0.004","90","","2033.61","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C72 H80 Cl8 N8 O8 S8 -","8","1","","Tan, Yee Seng; Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of N-(3-chlorophenyl)ethoxycarbothioamide, C9H10ClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","511","512","10.1515/ncrs-2017-0403","","","0.71073","MoKα","","0.0394","0.0329","","","0.0781","0.0815","","","","","","1.042","","","","has coordinates","279462","2022-11-22","10:25:45",""
"8106200","11.6189","0.0002","12.2846","0.0002","18.1744","0.0002","97.321","0.001","106.308","0.001","99.312","0.002","2415.65","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H82 Cu2 N2 P2 S4 -","- C46 H82 Cu2 N2 P2 S4 -","- C92 H164 Cu4 N4 P4 S8 -","2","1","","Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of bis(μ 2-pyrrolidine-1-carbodithioato-κ 3 S,S′:S;κ 3 S:S:S′)-bis(tricyclohexylphosphane-P)-di-copper(I), C46H82Cu2N2P2S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","513","515","10.1515/ncrs-2017-0406","","","1.54184","CuKα","","0.0261","0.0248","","","0.0645","0.0655","","","","","","1.032","","","","has coordinates","279463","2022-11-22","10:37:24",""
"8106201","6.7658","0.0005","8.0344","0.001","9.6285","0.0012","66.279","0.012","72.245","0.009","87.699","0.008","454.31","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C16 H16 Cl2 N2 O2 S2 -","2","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of N-(2-chlorophenyl)methoxycarbothioamide, C8H8ClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","517","518","10.1515/ncrs-2017-0409","","","0.71073","MoKα","","0.0619","0.0555","","","0.1472","0.1577","","","","","","1.049","","","","has coordinates","279464","2022-11-22","10:39:48",""
"8106202","9.7536","0.0002","10.0755","0.0002","12.4215","0.0003","84.928","0.002","72.544","0.002","74.382","0.002","1121.44","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl N3 O4 Sn -","- C23 H24 Cl N3 O4 Sn -","- C46 H48 Cl2 N6 O8 Sn2 -","2","1","","Mun, Lee See; Halcovitch, Nathan R.; Tiekink, Edward R.T.","Crystal structure of chlorido-methanol-(N-(2-(oxy)-3-methoxybenzylidene)pyridine-4-carbohydrazonato-κ3 O,N,O′)-(4-methylphenyl)methyl-tin(IV), C23H24ClN3O4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","519","521","10.1515/ncrs-2017-0410","","x-ray","1.54184","CuKα","","0.021","0.021","","","0.0535","0.0535","","","","","","1.067","","","","has coordinates","279465","2022-11-22","10:42:52",""
"8106203","13.2003","0.0012","6.0448","0.0006","13.9403","0.0013","90","","101.918","0.001","90","","1088.36","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl N O S -","- C10 H12 Cl N O S -","- C40 H48 Cl4 N4 O4 S4 -","4","1","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure of N-(3-chlorophenyl)(propan-2-yloxy)carbothioamide, C10H12ClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","523","524","10.1515/ncrs-2017-0411","","","0.71073","MoKα","","0.0353","0.0291","","","0.0747","0.0807","","","","","","1.072","","","","has coordinates","279466","2022-11-22","10:46:24",""
"8106204","8.5155","0.0004","10.6415","0.0004","19.0732","0.001","80.918","0.004","89.689","0.004","80.666","0.004","1683.74","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","2","","Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.","Crystal structure of 1-[(Z)-[4-(4-methoxyphenyl)butan-2-ylidene]amino]-3-phenylurea, C18H21N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","525","527","10.1515/ncrs-2017-0415","","","0.71073","MoKα","","0.0961","0.0553","","","0.1077","0.1333","","","","","","1.042","","","","has coordinates","279467","2022-11-22","10:48:55",""
"8106205","7.0675","0.001","9.9","0.001","12.9252","0.0017","106.813","0.01","93.741","0.009","109.863","0.008","800.65","0.19","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 N2 O4 S4 Zn -","- C10 H20 N2 O4 S4 Zn -","- C20 H40 N4 O8 S8 Zn2 -","2","1","","Poplaukhin, Pavel; Tiekink, Edward R.T.","A triclinic polymorph of bis(μ-N,N-bis(2-hydroxyethyl)dithiocarbamato-κ 3 S,S′:S′) bis(N,N-bis(2-hydroxyethyl)dithiocarbamato-κ 2 S:S′)zinc(II), C20H40N4O8S8Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","529","531","10.1515/ncrs-2017-0418","","","0.71069","MoKα","","0.083","0.0685","","","0.1601","0.176","","","","","","1.05","","","","has coordinates","279468","2022-11-22","10:50:57",""
"8106206","33.536","0.006","7.0566","0.001","6.1491","0.001","90","","91.048","0.005","90","","1454.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-(4-(((E)-2-hydroxy-5-methylbenzylidene)amino)phenyl)ethan-1-oneO-methyl oxime, C17H18N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","533","534","10.1515/ncrs-2017-0048","","","0.71073","MoKα","","0.0839","0.0672","","","0.1716","0.1823","","","","","","1.088","","","","has coordinates","279487","2022-11-23","08:12:24",""
"8106207","14.517","0.004","18.006","0.007","6.916","0.003","90","","116.97","0.03","90","","1611.2","1.1","272","2","272","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H18 N4 O8 -","- C16 H18 N4 O8 -","- C64 H72 N16 O32 -","4","0.5","","Wei, Xiao; Guang-Ming, Bao; Ting-Ting, Sun; Chun-Yan, Hu; Hou-Qun, Yuan","Crystal structure of 1,3,5,7-tetraazaadamantane-1,3-diium 2,5-dicarboxyterephthalate, C16H18N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","535","536","10.1515/ncrs-2017-0123","","","0.71073","MoKα","","0.085","0.0497","","","0.1217","0.1387","","","","","","1.027","","","","has coordinates,has disorder","279488","2022-11-23","08:15:24",""
"8106208","14.7637","0.0011","12.0608","0.0009","16.7391","0.0014","90","","101.086","0.001","90","","2925","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 N4 O7 -","- C25 H50 N4 O7 -","- C100 H200 N16 O28 -","4","1","","Liu, Yalin; Li, Qiufang","Crystal structure of guanidinium tetrabutyl-ammonium 5-hydroxyisophthalate dihydrate, C25H50N4O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","537","538","10.1515/ncrs-2017-0152","","","","MoKα","","0.0657","0.0489","","","0.0993","0.1076","","","","","","1.006","","","","has coordinates","279489","2022-11-23","08:18:05",""
"8106209","10.1526","0.0016","11.067","0.0018","11.1729","0.0018","71.559","0.002","69.827","0.002","70.439","0.002","1081.3","0.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N6 Ni O6 -","- C21 H20 N6 Ni O6 -","- C42 H40 N12 Ni2 O12 -","2","1","","Fu, Hong-Ru","Crystal structure of poly[aqua-(μ2-5-methoxyisophthalate-κ3 O,O′:O′′)-(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2 N:N′)nickel(II), NiC21H20N6O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","539","541","10.1515/ncrs-2017-0172","","","0.71073","MoKα","","0.0485","0.037","","","0.0849","0.0911","","","","","","1.0181","","","","has coordinates","279490","2022-11-23","08:21:21",""
"8106210","12.3146","0.0011","11.1769","0.001","19.3856","0.0017","90","","101.012","0.001","90","","2619.1","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cu N2 O9 -","- C28 H28 Cu N2 O9 -","- C112 H112 Cu4 N8 O36 -","4","0.5","","He, Guofang; Sun, Junshan","Crystal structure of aqua-bis(3,4-dimethoxybenzoato-κ1 O)-(2,2′-bipyridine-κ2 N,N′)copper(II), C28H26CuN2O9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","543","544","10.1515/ncrs-2017-0232","","","0.71073","MoKα","","0.0385","0.035","","","0.099","0.1005","","","","","","1.091","","","","has coordinates","279491","2022-11-23","08:25:30",""
"8106211","8.762","0.0009","10.7139","0.0011","11.8897","0.0012","63.957","0.002","82.294","0.002","74.709","0.002","967.1","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cd N5 O5 -","- C20 H17 Cd N5 O5 -","- C40 H34 Cd2 N10 O10 -","2","1","","Wei-Wei, Lu; Feng-Yang, Ju","Crystal structure of catena-poly[aqua-(μ2-(3,5-di(1H-imidazol-1-yl)-pyridine-κ2 N:N′)-(μ2-2-(carboxylatomethyl)benzoato-κ2 O:O′)] cadmium(II), C20H17CdN5O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","545","546","10.1515/ncrs-2017-0274","","","0.71073","MoKα","","0.0215","0.0203","","","0.0481","0.0489","","","","","","1.051","","","","has coordinates","279492","2022-11-23","08:28:22",""
"8106212","18.794","0.008","4.0798","0.0017","10.093","0.004","90","","90","","90","","773.9","0.6","291","2","291.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C3 H3 Cl Hg N2 S2 -","- C3 H3 Cl Hg N2 S2 -","- C12 H12 Cl4 Hg4 N8 S8 -","4","1","","Liu, Lian-Wei; Zhao, Bang-Tun","The crystal structure of catena-poly[chlorido-(μ2-5-methyl-1,3,4-thiadiazole-2-thiolato-κ2 S:N)mercury(II)], C3H3ClHgN2S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","547","548","10.1515/ncrs-2017-0277","","","0.71073","MoKα","","0.0693","0.0437","","","0.0922","0.1024","","","","","","1.018","","","","has coordinates","279493","2022-11-23","08:46:17",""
"8106213","13.3172","0.0015","7.0899","0.0007","14.828","0.0015","90","","96.739","0.003","90","","1390.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 O3 -","- C14 H10 Cl2 N2 O3 -","- C56 H40 Cl8 N8 O12 -","4","1","","Hong, Yong; Liu, Wei; Wu, Jie","Crystal structure of (E)-2,4-dichloro-6-(((4-methyl-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","549","550","10.1515/ncrs-2017-0280","","","0.71073","MoKα","","0.0764","0.0423","","","0.0978","0.1136","","","","","","1.014","","","","has coordinates","279494","2022-11-23","08:49:44",""
"8106214","11.4869","0.0004","12.9118","0.0005","19.6858","0.0006","100.824","0.001","102.185","0.002","110.47","0.003","2562.32","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 Ag2 B2 F8 P4 -","- C54 H52 Ag2 B2 F8 P4 -","- C108 H104 Ag4 B4 F16 P8 -","2","1","","Kuang, Xiao-Nan; Lin, Sen; Li, Si-Fan; Li, Yue; Xin, Xiu-Lan; Jin, Qiong-Hua","Crystal structure of a new polymorph of bis[μ-1,3-bis(diphenylphosphino)propane-κ2 P:P′-disilver(I)] bis(tetrafluoroborate), [Ag(dppp)]2(BF4)2, C54H52Ag2B2F8P4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","551","553","10.1515/ncrs-2017-0285","","","0.71073","MoKα","","0.0328","0.0263","","","0.0624","0.0666","","","","","","1.059","","","","has coordinates","279495","2022-11-23","08:55:54",""
"8106215","11.9542","0.0005","11.4057","0.0005","17.2763","0.0008","90","","96.38","0.001","90","","2340.97","0.18","200","","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N5 O3 S2 -","- C19 H29 N5 O3 S2 -","- C76 H116 N20 O12 S8 -","4","2","","Zuo, Zhenyu; Lei, Fuhou; Dai, Yang; Wang, Lu","The crystal structure of 2-phenyl-4,6-bis(R-tert-butylsulfonamido)-1,3,5-triazine – ethyl acetate (2/1), C38H58N10O6S4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","555","557","10.1515/ncrs-2017-0292","","","1.54178","CuKα","","0.0336","0.0325","","","0.083","0.0836","","","","","","1.037","","","","has coordinates","279496","2022-11-23","08:59:57",""
"8106216","14.594","0.004","9.366","0.005","14.147","0.004","90","","93.749","0.018","90","","1929.6","1.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C80 H84 N20 O8 -","4","1","","Quan, Yan","Crystal structure of 6-amino-8-(2-methoxy-phenyl)-2-methyl-2,3,8,8a-tetrahydro-1H-iso-quinoline-5,7,7-tricarbonitrile monohydrate, C20H21N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","559","560","10.1515/ncrs-2017-0317","","","0.71073","MoKα","","0.1112","0.0607","","","0.176","0.2131","","","","","","0.953","","","","has coordinates","279497","2022-11-23","09:04:29",""
"8106217","9.9882","0.0007","8.5202","0.0006","23.1403","0.0018","90","","91.01","0.002","90","","1969","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","methyl1-phenylethylcarbamate","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C80 H104 N8 O16 -","8","4","","Thakar, Amit S.; Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M.","Crystal structure of methyl (1-phenylethyl)carbamate, C10H13NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","561","563","10.1515/ncrs-2017-0320","","","0.71073","MoKα","","0.0518","0.0387","","","0.0858","0.0919","","","","","","1.02","","","","has coordinates","279498","2022-11-23","09:18:47",""
"8106218","11.179","0.003","12.623","0.003","15.656","0.004","83.607","0.008","78.636","0.009","83.128","0.009","2141.6","0.9","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Ag O4 P2 -","- C46 H49 Ag O4 P2 -","- C92 H98 Ag2 O8 P4 -","2","1","","Liu, Kuanguan; Nie, Jing","Crystal structure of dimethanol-(μ2-squarato-κ2 O:O′)-tetrakis(tri-p-tolylphosphane-κP)disilver(I) – methanol (1/2), C92H98Ag2O8P4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","565","567","10.1515/ncrs-2017-0322","","","0.71073","MoKα","","0.0627","0.0398","","","0.0924","0.1034","","","","","","1.013","","","","has coordinates,has disorder","279499","2022-11-23","09:22:20",""
"8106219","8.3759","0.0018","10.749","0.002","11.873","0.003","63.165","0.002","82.979","0.002","80.932","0.002","940.3","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 Cu N6 O12 -","- C36 H46 Cu N6 O12 -","- C36 H46 Cu N6 O12 -","1","0.5","","Zhao, Ying; Wang, San-Tai","Crystal structure of catena-poly[bis(μ2-1,4-bis(triazol-1-ylmethyl)benzene-κ2 N:N′)-bis(5-tert-butyl-isophthalate-κO)copper(II)]tetrahydrate, C36H46CuN6O12","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","569","570","10.1515/ncrs-2017-0325","","","0.71073","MoKα","","0.0687","0.046","","","0.0994","0.1107","","","","","","1.025","","","","has coordinates,has disorder","279500","2022-11-23","09:27:30",""
"8106220","7.789","0.0005","8.6069","0.0006","12.4753","0.0008","77.064","0.004","72.754","0.003","67.148","0.003","730.4","0.09","297","2","297.16","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N6 O3 -","- C14 H16 N6 O3 -","- C28 H32 N12 O6 -","2","1","","Cisterna, Jonathan; Cárdenas, Alejandro; Brito, Iván","Crystal structure of 4-aminopyridinium 4-acetyl-(pyridin-4-yl)-1H-1,2,3-triazol-5-olate monohydrate, C14H16N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","571","573","10.1515/ncrs-2017-0326","","","1.54178","CuKα","","0.0707","0.0594","","","0.1465","0.1542","","","","","","1.108","","","","has coordinates","279501","2022-11-23","09:34:35",""
"8106221","10.8164","0.0015","11.4831","0.0017","15.423","0.002","101.035","0.003","100.538","0.002","101.708","0.002","1791.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 Cu N5 O7 -","- C14 H19 Cu N5 O7 -","- C56 H76 Cu4 N20 O28 -","4","2","","Zuo, Jian","Crystal structure of aqua(1-(2-pyridyl)ethanone oxime-κ2 N,N′)(1-(2-pyridyl)ethanone oximato-κ2 N,N′) nitrate monohydrate, C14H19N5O7Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","579","581","10.1515/ncrs-2017-0336","","","0.71073","MoKα","","0.0696","0.0416","","","0.0962","0.1131","","","","","","1.05","","","","has coordinates","279502","2022-11-23","09:46:07",""
"8106222","6.209","0.0017","8.573","0.004","8.863","0.002","111.018","0.006","109.85","0.004","91.866","0.006","407.8","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H5 O8 Y -","- C6 H5 O8 Y -","- C12 H10 O16 Y2 -","2","1","","Wen, Zhi-Hui; Zhao, Xiao-Xi; Zhao, Dan","Crystal structure of poly[tetraaqua-(μ4-oxalato-κ4 O,O′:O′′,O′′′)-(μ8-benzene-1,2,4,5-tetracarboxylato-κ8 O 1:O 2:O 3:O 4:O 5:O 6:O 7:O 8)yttrium(III)], C6H5O8Y","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","583","584","10.1515/ncrs-2017-0344","","","0.71073","MoKα","","0.0558","0.0435","","","0.1155","0.1332","","","","","","1.143","","","","has coordinates","279503","2022-11-23","09:51:06",""
"8106223","8.8351","0.0005","13.1492","0.0006","14.7094","0.0008","85.491","0.004","84.285","0.005","72.413","0.004","1618.76","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 Ag2 N4 O9 -","- C31 H35 Ag2 N4 O9 -","- C62 H70 Ag4 N8 O18 -","2","1","","Fan, Hui-Tao; Ding, Jie; Xie, Jing-Peng; Wang, Kun","Crystal structure of bis{catena-poly[(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)silver(I)]} diaqua-bis(5-(4-carboxyphenyl)pyridine-2-carboxylato-κ2 N,O)-(μ2-1,2-bis(4-pyridyl)ethane-κ2 N:N′)disilver(I) octahydrate, C31H35Ag2N4O9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","585","587","10.1515/ncrs-2017-0345","","","0.71073","MoKα","","0.0526","0.0382","","","0.074","0.0796","","","","","","1.009","","","","has coordinates,has disorder","279504","2022-11-23","09:55:25",""
"8106224","6.8549","0.0004","13.2863","0.0012","14.369","0.0013","85.944","0.007","84.882","0.006","89.932","0.006","1300.18","0.18","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Br Cl N2 O5 -","- C27 H22 Br Cl N2 O5 -","- C54 H44 Br2 Cl2 N4 O10 -","2","1","","Meng, Jiang Ping; Lei, Jie","Crystal structure of (E)-N-(2-(benzylamino)-2-oxo-1-(4-oxo-4H-chromen-3-yl)ethyl)-N-(4-bromophenyl)-3-chloroacrylamide hydrate, C27H22BrClN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","589","590","10.1515/ncrs-2017-0346","","x-ray","0.71073","MoKα","","0.1105","0.0655","","","0.154","0.1841","","","","","","1.038","","","","has coordinates","279505","2022-11-23","10:05:16",""
"8106225","7.4169","0.0008","20.183","0.002","10.5403","0.0011","90","","103.552","0.001","90","","1533.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H28 Cd Na2 O26 -","- C20 H28 Cd Na2 O26 -","- C40 H56 Cd2 Na4 O52 -","2","0.25","","Xue, Ya-Li; Zhang, Ai-Yun; Zhao, Dan","Crystal structure of catena-poly[octaaqua-bis(μ2-4,6-dicarboxyisophthalate-κ2 O:O′)cadmium(II)disodium(I)] dihydrate, C20H28CdNa2O26","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","591","592","10.1515/ncrs-2017-0349","","","0.71073","MoKα","","0.0521","0.0434","","","0.1207","0.1271","","","","","","1.124","","","","has coordinates","279506","2022-11-23","10:10:04",""
"8106226","10.0834","0.0007","10.8269","0.0007","13.1958","0.0008","77.658","0.005","77.135","0.005","87.797","0.005","1371.93","0.16","105.6","","105.6","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Cl N7 O8 Zn -","- C24 H24 Cl N7 O8 Zn -","- C48 H48 Cl2 N14 O16 Zn2 -","2","1","","Chen, Jiang-Li; Wang, Chen; Su, Guo-Hua; Nie, Feng-Mei","Crystal structure of acetonitrile{bis(2-benzimidazolylmethyl)amine-κ3 N,N′,N′′}-{maleato-κO}zinc(II) perchlorate - acetonitrile (1/1), C24H24ClN7O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","593","595","10.1515/ncrs-2017-0351","","","0.7107","MoKα","","0.049","0.041","","","0.0966","0.1015","","","","","","1.074","","","","has coordinates","279507","2022-11-23","10:32:51",""
"8106227","12.885","0.009","8.781","0.006","15.692","0.011","90","","112.258","0.013","90","","1643","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Br2 N2 O4 -","- C16 H10 Br2 N2 O4 -","- C64 H40 Br8 N8 O16 -","4","1","","Li, Jing; Gou, Wei","Crystal structure of 2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-7-methyl-5-oxo-2H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C16H10Br2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","597","598","10.1515/ncrs-2017-0353","","","0.71073","MoKα","","0.0976","0.0526","","","0.1145","0.1284","","","","","","0.937","","","","has coordinates","279525","2022-11-24","08:00:31",""
"8106228","19.165","0.012","10.116","0.006","20.734","0.013","90","","99.021","0.011","90","","3970","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Mn N4 O14 -","- C38 H42 Mn N4 O14 -","- C152 H168 Mn4 N16 O56 -","4","0.5","","Zou, Gui-Hua; Zou, Yu-Long; Shen, Guang-Zhi","Crystal structure of catena-poly[diaqua-(μ2-3,5-bis(pyridin-4-ylmethoxy)benzoate-κ2N:O) manganese(II)] tetrahydrate [(3,5-bis-(pyridin-4-ylmethoxy)-benzoic-κ1 Oκ1 N) manganese(II)] trihydrate, C38H42MnN4O14","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","599","600","10.1515/ncrs-2017-0358","","","0.71073","MoKα","","0.0705","0.0486","","","0.1331","0.1442","","","","","","1.089","","","","has coordinates","279526","2022-11-24","08:04:54",""
"8106229","7.7698","0.0016","8.302","0.0017","12.197","0.002","92.94","0.03","107.03","0.03","110.41","0.03","694.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Peng-Fei, Li; Chang-Qing, Cao; Xi-Shi, Tai","The crystal structure of 2-carboxybenzaldehyde-2-phenylacetohydrazone, C16H14N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","601","602","10.1515/ncrs-2017-0361","","","0.71073","MoKα","","0.0694","0.0582","","","0.1563","0.1683","","","","","","0.998","","","","has coordinates","279527","2022-11-24","08:08:42",""
"8106230","16.737","0.003","6.661","0.0013","10.427","0.002","90","","97.69","0.03","90","","1152","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N Na O4 S -","- C10 H10 N Na O4 S -","- C40 H40 N4 Na4 O16 S4 -","4","1","","Yi-Min, Feng; Hong-Mei, Guo; Qing-Yun, Liu; Xi-Shi, Tai","The crystal structure of poly[μ2-aqua-(μ2-2-naphthylamine-1-sulfonato-κ3 O,O′:O′′)sodium(I)], C10H10N1O4S1Na","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","603","604","10.1515/ncrs-2017-0362","","","0.71073","MoKα","","0.0432","0.0419","","","0.1086","0.1104","","","","","","1.098","","","","has coordinates","279528","2022-11-24","08:11:30",""
"8106231","8.6277","0.0017","13.134","0.003","13.062","0.005","90","","110.54","0.03","90","","1386","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O -","- C8 H6 N2 O -","- C64 H48 N16 O8 -","8","2","","Yun-Chen, Zhang; Hong-Mei, Guo; Peng-Fei, Li; Qing-Yun, Liu; Xi-Shi, Tai","The crystal structure of phthalazin-1(2H)-one, C8H6N2O1","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","605","606","10.1515/ncrs-2017-0363","","","0.71073","MoKα","","0.066","0.0512","","","0.1467","0.1581","","","","","","1.008","","","","has coordinates","279529","2022-11-24","08:16:26",""
"8106232","17.4112","0.0007","8.3694","0.0003","17.6728","0.0007","90","","104.612","0.002","90","","2492.01","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 F6 N2 O S -","- C24 H28 F6 N2 O S -","- C96 H112 F24 N8 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Hassan, Hanan M.; Ghabbour, Hazem A.; El-Emam, Ali A.","Crystal structure of 3,5-bis(trifluoromethyl)benzyl(Z)-N-(adamantan-1-yl)morpholine-4-carbothioimidate, C24H28F6N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","607","609","10.1515/ncrs-2017-0365","","","0.71073","MoKα","","0.1054","0.0603","","","0.143","0.1704","","","","","","1.031","","","","has coordinates,has disorder","279530","2022-11-24","08:27:50",""
"8106233","29.628","0.0013","7.5784","0.0003","14.36","0.0007","90","","90","","90","","3224.3","0.2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H35 Co2 N10 O7 -","- C27 H35 Co2 N10 O7 -","- C108 H140 Co8 N40 O28 -","4","1","","Youzhu, Yu; Yanhong, Shen; Yongsheng, Niu; Xiaoming, Zheng; Xi, Han; Songyang, Chang","Crystal structure of diazido-bis(μ2-pyridin-2-ylmethanolato-κ2 N:O)-bis(pyridin-2-ylmethanolato-κ2 N,O)dicobalt(III) – methanol (1/3), C27H35Co2N10O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","611","613","10.1515/ncrs-2017-0368","","","0.71073","MoKα","","0.0498","0.0409","","","0.102","0.1133","","","","","","1.165","","","","has coordinates","279531","2022-11-24","08:32:06",""
"8106234","12.512","0.004","12.572","0.004","12.511","0.004","90","","114.39","","90","","1792.4","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N5 O6 S -","- C14 H14 F3 N5 O6 S -","- C56 H56 F12 N20 O24 S4 -","4","1","","Xiu-Ying, Song; Ling, Fu; Wan-Ming, Xiong; Nian-Qian, Kang; Xu-Liang, Nie","Crystal structure of N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinesulfonamide, C14H14F3N5O6S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","615","616","10.1515/ncrs-2017-0372","","","0.71073","MoKα","","0.0557","0.0366","","","0.0733","0.0849","","","","","","1.069","","","","has coordinates","279532","2022-11-24","08:34:53",""
"8106235","10.6738","0.0006","11.7869","0.0007","12.5381","0.0007","112.842","0.006","91.963","0.004","116.129","0.006","1264.38","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N6 O2 S2 -","- C28 H20 N6 O2 S2 -","- C56 H40 N12 O4 S4 -","2","1","","Baashen, Mohammed; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","617","619","10.1515/ncrs-2017-0375","","","0.71073","MoKα","","0.0746","0.0523","","","0.1218","0.139","","","","","","1.036","","","","has coordinates,has disorder","279533","2022-11-24","08:37:58",""
"8106236","19.6241","0.0004","10.4639","0.0002","10.7024","0.0002","90","","96.163","0.002","90","","2184.98","0.07","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu N2 O7 -","- C24 H20 Cu N2 O7 -","- C96 H80 Cu4 N8 O28 -","4","0.5","","He, Haiyan; Li, Yuyang; Yang, Qiucheng; Li, Lei","The crystal structure of poly[bis(4-hydroxybenzoato-κO)-(μ2-4,4′-bipyridine-κ2 N:N′)copper(II)] hydrate, C24H20N2O7Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","621","623","10.1515/ncrs-2017-0377","","x-ray","1.54184","CuKα","","0.0322","0.0312","","","0.0854","0.0863","","","","","","1.1","","","","has coordinates","279534","2022-11-24","08:41:52",""
"8106237","11.1893","0.0006","13.9922","0.001","14.1772","0.0007","90","","94.544","0.005","90","","2212.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 Co N3 O5 -","- C29 H17 Co N3 O5 -","- C116 H68 Co4 N12 O20 -","4","1","","Liu, Xue-Guo; Yan, Wei-Hong; Xing, Xiao-Jing; Fan, Hui-Tao","Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ5 O:O′,O′′:N,N′,N′′cobalt(II)], C29H17CoN3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","625","627","10.1515/ncrs-2017-0380","","","0.71073","MoKα","","0.0609","0.046","","","0.0925","0.0975","","","","","","1.03","","","","has coordinates,has disorder","279535","2022-11-24","08:45:03",""
"8106238","7.7751","0.0006","12.8081","0.0014","12.4032","0.0015","90","","103.79","0.01","90","","1199.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H17 Co N3 O5 -","- C29 H17 Co N3 O5 -","- C58 H34 Co2 N6 O10 -","2","1","","Liu, Xue-Guo; Yan, Wei-Hong; Xing, Xiao-Jing; Fan, Hui-Tao","Crystal structure of poly[μ3-5-(4-(2,6-di(pyridine-2-yl)pyridine-4-yl)phenoxy)isophthalato-κ6 O:O′,O′′:N,N′,N′′)cobalt(II)] C29H17CoN3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","629","630","10.1515/ncrs-2017-0387","","","0.71073","MoKα","","0.1047","0.0627","","","0.0814","0.094","","","","","","0.967","","","","has coordinates","279536","2022-11-24","08:49:00",""
"8106239","13.237","0.0006","15.4658","0.0005","9.5723","0.0004","90","","108.834","0.004","90","","1854.73","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 La N4 O8 -","- C16 H15 La N4 O8 -","- C64 H60 La4 N16 O32 -","4","1","","Liu, Xue-Guo; Yan, Wei-Hong; Xing, Xiao-Jing; Fan, Hui-Tao","Crystal structure of diaqua-(acetato-κ3 O,O′:O′′)-(μ3-4,6-di(1H-imidazol-1-yl)isophthalato-κ4 O:O′:O′′,O′′′)lanthanum(III), C16H15LaN4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","631","632","10.1515/ncrs-2017-0393","","","0.71073","MoKα","","0.0391","0.0342","","","0.0778","0.0814","","","","","","1.086","","","","has coordinates","279537","2022-11-24","08:51:09",""
"8106240","8.4592","0.001","9.8442","0.0011","11.2565","0.0012","66.892","0.003","86.069","0.003","81.658","0.004","852.97","0.17","153","2","153.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O10 -","- C18 H16 N2 O10 -","- C36 H32 N4 O20 -","2","1","","Yun, Meng; Dong, Xiu-Yan","Synthesis and crystal structure of 6-carboxy-1-(3,5-dicarboxyphenyl)-1H-benzo[d]imidazol-3-ium-5-carboxylate dihydrate, C18H12N2O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","633","634","10.1515/ncrs-2017-0396","","","0.71073","MoKα","","0.0938","0.0609","","","0.1395","0.1557","","","","","","1.023","","","","has coordinates","279538","2022-11-24","08:54:54",""
"8106241","5.3025","0.0003","9.7824","0.0007","33.3847","0.0019","90","","93.699","0.006","90","","1728.1","0.19","290.7","0.3","290.7","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","","Peng, Yun-Dong; Zhang, Yang; Ren, Zong-Li; Wang, Li; Dong, Wen-Kui","Crystal structure of (E)-2-hydroxybenzaldehyde O-(2-(((E)-(4-(dimethylamino)benzylidene)amino)oxy)ethyl)oxime, C18H21N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","635","636","10.1515/ncrs-2017-0397","","x-ray","0.71073","MoKα","","0.1229","0.0677","","","0.1521","0.1892","","","","","","1.036","","","","has coordinates","279540","2022-11-24","09:46:53",""
"8106242","8.6632","0.0008","12.7133","0.001","14.2719","0.0012","98.585","0.003","94.985","0.003","92.916","0.003","1545.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O4 Zn -","- C32 H30 N4 O4 Zn -","- C64 H60 N8 O8 Zn2 -","2","1","","Li, Qing-Lin; Li, Peng-Peng; Ma, Jin-Xia; Zhao, Ji-Xing; Zhao, Li","Crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}zinc(II), C32H30N4O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","637","639","10.1515/ncrs-2017-0404","","","0.71073","MoKα","","0.1373","0.0714","","","0.1487","0.174","","","","","","1.005","","","","has coordinates","279541","2022-11-24","09:52:50",""
"8106243","9.967","0.001","11.853","0.001","13.37","0.002","101.981","0.008","106.586","0.008","113.856","0.009","1287","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","bis(9-aminoacidi-10-ium) tetrachlorocuprate(II) monohydrate","","- C26 H24 Cl4 Cu N4 O -","- C26 H24 Cl4 Cu N4 O -","- C52 H48 Cl8 Cu2 N8 O2 -","2","1","","Sikorski, Artur","Crystal structure of bis(9-aminoacridin-10-ium) tetrachloridocuprate(II) monohydrate, C26H24Cl4CuN4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","641","642","10.1515/ncrs-2017-0407","","","0.71073","MoKα","","0.037","0.03","","","0.0737","0.0771","","","","","","1.052","","","","has coordinates","279542","2022-11-24","10:01:03",""
"8106244","14.337","0.003","15.549","0.003","8.0212","0.0016","90","","103.33","0.03","90","","1740","0.6","170","2","170","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 F N2 O2 -","- C19 H21 F N2 O2 -","- C76 H84 F4 N8 O8 -","4","1","","Ikram, Muhammad; Khan, Momin; Ahmad, Sajjad; Rehman, Sadia; Schulzke, Carola","The crystal structure of 4-tert-butyl-N′-[(E)-(4-fluoro-3-methoxyphenyl)methylidene]benzohydrazide, C19H21F1N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","643","645","10.1515/ncrs-2017-0408","","","0.71073","MoKα","","0.0855","0.0796","","","0.2056","0.2192","","","","","","1.103","","","","has coordinates","279543","2022-11-24","10:04:25",""
"8106245","6.6046","0.0003","15.1056","0.0008","15.2115","0.0008","61.996","0.002","80.39","0.003","87.579","0.002","1319.97","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N8 O -","- C31 H26 N8 O -","- C62 H52 N16 O2 -","2","1","","Alotaibi, Mohammad Hayal; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; El-Enin, Mohammed Abu Bakr Abu; Ghabbour, Hazem A.; El-Hiti, Gamal A.","Crystal structure of (E)-3-(3-(5-methyl-1-4-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)prop-2-en-1-one, C31H26N8O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","647","648","10.1515/ncrs-2017-0420","","","0.71073","MoKα","","0.1175","0.0574","","","0.1191","0.1431","","","","","","1.024","","","","has coordinates","279544","2022-11-24","10:06:43",""
"8106246","6.632","0.0003","10.3272","0.0005","13.0832","0.0006","102.751","0.002","96.13","0.002","103.079","0.002","839.63","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N5 O2 -","- C19 H19 N5 O2 -","- C38 H38 N10 O4 -","2","1","","Alotaibi, Mohammad Hayal","Crystal structure of (E)-N′-(4-methoxybenzylidene)-5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbohydrazide, C19H19N5O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","649","650","10.1515/ncrs-2017-0421","","","0.71073","MoKα","","0.0736","0.0553","","","0.1384","0.1521","","","","","","1.033","","","","has coordinates","279545","2022-11-24","10:09:56",""
"8106247","7.2277","0.0003","9.9791","0.0003","14.7725","0.0007","81.007","0.003","82.268","0.004","73.21","0.003","1003.01","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H10 Cl N O S -","- C9 H10 Cl N O S -","- C36 H40 Cl4 N4 O4 S4 -","4","2","","Yeo, Chien Ing; Tiekink, Edward R.T.","Crystal structure and molecular packing of O-ethyl (2-chlorophenyl)carbamothioate, C9H10ClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","651","653","10.1515/ncrs-2017-0422","","","0.71073","MoKα","","0.0544","0.0364","","","0.0736","0.0828","","","","","","1.043","","","","has coordinates","279546","2022-11-24","10:12:12",""
"8106248","8.1312","0.0016","7.8252","0.0016","17.231","0.003","90","","92.47","0.03","90","","1095.4","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 O -","- C17 H10 O -","- C68 H40 O4 -","4","1","","Bao-Xi, Miao; Xin-Xue, Tang; Li-Fang, Zhang","Crystal structure of pyrene-2-carbaldehyde, C17H10O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","655","657","10.1515/ncrs-2017-0423","","","0.71073","MoKα","","0.1034","0.0517","","","0.1114","0.1281","","","","","","1.013","","","","has coordinates","279554","2022-11-25","08:30:30",""
"8106249","13.5219","0.0008","7.2772","0.0004","15.2709","0.0008","90","","96.1761","0.0018","90","","1493.96","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 I2 N2 O3 -","- C14 H10 I2 N2 O3 -","- C56 H40 I8 N8 O12 -","4","1","","Hong, Yong; Liu, Wei; Yan, Heping","Crystal structure of (E)-2,4-diiodo-6-(4-methyl-2-nitrostyryl)phenol, C14H10I2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","659","660","10.1515/ncrs-2017-0424","","","0.71073","MoKα","","0.0905","0.0716","","","0.171","0.1888","","","","","","1.051","","","","has coordinates","279555","2022-11-25","08:34:06",""
"8106250","14.2599","0.001","6.997","0.0004","15.0779","0.001","90","","108.245","0.002","90","","1428.79","0.16","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 O4 -","- C14 H10 Cl2 N2 O4 -","- C56 H40 Cl8 N8 O16 -","4","1","","Hong, Yong","Crystal structure of (E)-2,4-dichloro-6-(((4-methoxy-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","661","662","10.1515/ncrs-2017-0425","","","0.71073","MoKα","","0.0547","0.0355","","","0.0778","0.086","","","","","","1.04","","","","has coordinates","279556","2022-11-25","08:39:10",""
"8106251","14.2726","0.0016","6.9919","0.0009","15.1927","0.0015","90","","107.308","0.005","90","","1447.5","0.3","150","2","150.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br Cl N2 O4 -","- C14 H10 Br Cl N2 O4 -","- C56 H40 Br4 Cl4 N8 O16 -","4","1","","Hong, Yong","Crystal structure of (E)-2-bromo-4-chloro-6-(4-methoxy-2-nitrostyryl)phenol, C14H10BrClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","663","664","10.1515/ncrs-2017-0426","","","0.71073","MoKα","","0.0647","0.0362","","","0.0732","0.0831","","","","","","1.01","","","","has coordinates","279557","2022-11-25","08:40:50",""
"8106252","9.2216","0.0004","9.7072","0.0005","10.0628","0.0005","61.778","0.002","77.716","0.002","79.144","0.002","771.49","0.07","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 I2 N2 O4 -","- C14 H10 I2 N2 O4 -","- C28 H20 I4 N4 O8 -","2","1","","Hong, Yong","Crystal structure of (E)-4,6-diiodo-2-(((4-methoxy-2-nitrophenyl)imino)methyl)-3-methylphenol, C14H10I2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","665","666","10.1515/ncrs-2017-0427","","","0.71073","MoKα","","0.0212","0.0184","","","0.0524","0.0542","","","","","","1.073","","","","has coordinates","279558","2022-11-25","08:44:09",""
"8106253","8.4134","0.0005","9.5365","0.0006","9.6154","0.0007","60.728","0.002","83.13","0.002","66.331","0.002","613.52","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Br N O3 -","- C14 H12 Br N O3 -","- C28 H24 Br2 N2 O6 -","2","1","","Yang, Xiao-Li; Qian, Xu; Cao, Rui; Xu, Hao; Wang, Qi","The crystal structure of 7-bromo-1-cyclopropyl-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid an intermediate of the ozenoxacin synthesis, C14H12BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","667","668","10.1515/ncrs-2017-0430","","","0.71073","MoKα","","0.0683","0.0393","","","0.0644","0.0709","","","","","","1.04","","","","has coordinates","279559","2022-11-25","08:47:17",""
"8106254","12.2281","0.0016","19.176","0.003","9.8689","0.0013","90","","90","","90","","2314.1","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C24 H20 Cu N10 O2 -","- C24 H20 Cu N10 O2 -","- C96 H80 Cu4 N40 O8 -","4","0.5","","Li, Qingqing; Jiao, Kaichuang; Xu, Zhouqing","Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)copper(II) C24H20N10O2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","669","670","10.1515/ncrs-2017-0432","","","0.71073","MoKα","","0.074","0.0381","","","0.0645","0.0752","","","","","","0.984","","","","has coordinates","279560","2022-11-25","08:50:22",""
"8106255","16.77","0.003","7.7185","0.0016","15.165","0.003","90","","108.409","0.003","90","","1862.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Eu N7 O9 -","- C12 H14 Eu N7 O9 -","- C48 H56 Eu4 N28 O36 -","4","1","","Yaling, He; Shilin, Zeng; Peiling, Zhang; Zhouqing, Xu","Crystal structure of diaqua-dinitrato-k2 O,O′((Z)-N-((E)-1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-k3 N,N′,O)europium(II), C12H14N7O9Eu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","671","672","10.1515/ncrs-2017-0433","","","0.71073","MoKα","","0.0191","0.0174","","","0.0445","0.0453","","","","","","1.042","","","","has coordinates","279561","2022-11-25","08:53:04",""
"8106256","9.1704","0.0009","10.1253","0.0011","12.2182","0.0014","83.686","0.01","89.542","0.009","76.982","0.009","1098.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N5 O3 S -","- C24 H23 N5 O3 S -","- C48 H46 N10 O6 S2 -","2","1","","Geesi, Mohammed H.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","673","674","10.1515/ncrs-2018-0002","","","0.71073","MoKα","","0.0913","0.0551","","","0.1237","0.151","","","","","","1.086","","","","has coordinates","279562","2022-11-25","08:58:02",""
"8106257","7.2223","0.0003","9.185","0.0004","25.2304","0.001","90","","92.604","0.003","90","","1671.98","0.12","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","acridinium 2-carboxybenzoate","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Fennig, Kornelia; Sikorski, Artur","The crystal structure of acridin-10-ium2-carboxybenzoate, C21H15NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","675","676","10.1515/ncrs-2018-0003","","","0.71073","MoKα","","0.0536","0.0498","","","0.118","0.1205","","","","","","1.097","","","","has coordinates","279563","2022-11-25","09:01:06",""
"8106258","7.0971","0.0003","7.6638","0.0004","13.2375","0.0006","92.116","0.001","99.69","0.001","95.196","0.001","705.81","0.06","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C32 H34 N2 O8 -","2","1","","Jin-He, Jiang; Wu-Lan, Zeng; Yong-Mei, Yang","The crystal structure of 3-((phenylamino)methylene)-1,5-dioxaspiro[5.5]undecane-2,4-dione, C16H17N1O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","677","678","10.1515/ncrs-2018-0004","","","0.71073","MoKα","","0.0596","0.0529","","","0.1391","0.1489","","","","","","1.148","","","","has coordinates","279564","2022-11-25","10:12:19",""
"8106259","9.3453","0.0014","10.9826","0.0016","13.303","0.002","90.823","0.003","90.394","0.003","108.307","0.002","1296","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","12-Chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine","","- C14 H12 Cl O Sb -","- C14 H12 Cl O Sb -","- C56 H48 Cl4 O4 Sb4 -","4","2","","Tan, Nianyuan; Lan, Donghui; Wu, Shuisheng; Au, Chak-Tong; Yi, Bing","Crystal structure of 12-chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine, C14H12ClOSb","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","679","681","10.1515/ncrs-2018-0006","","","0.71073","MoKα","","0.0744","0.0587","","","0.1642","0.1767","","","","","","1.032","","","","has coordinates","279565","2022-11-25","10:16:02",""
"8106260","7.779","0.0016","22.726","0.005","12.755","0.003","90","","107.15","0.03","90","","2154.6","0.9","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O5 S -","- C24 H21 N O5 S -","- C96 H84 N4 O20 S4 -","4","1","","Cuicui, Huang; Shi, Maojian; Liu, Jing; Ding, Lin; Zhou, Jinhui","Crystal structure of 4-((1,3-dioxoisoindolin-2-yl)methyl)phenethyl 4-methylbenzenesulfonate, C24H21NO5S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","683","684","10.1515/ncrs-2018-0010","","","1.54178","CuKα","","0.0651","0.0453","","","0.1177","0.1371","","","","","","1.129","","","","has coordinates","279566","2022-11-25","10:19:11",""
"8106261","24.273","0.005","9.026","0.002","8.2852","0.0019","90","","108.818","0.004","90","","1718.2","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C72 H64 N16 O8 S8 -","8","1","","Wu, Hao; Zong, Hai-Tao","Crystal structure of 3-methyl-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C9H8N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","685","686","10.1515/ncrs-2018-0013","","","0.71073","MoKα","","0.082","0.0438","","","0.1002","0.119","","","","","","1.014","","","","has coordinates","279567","2022-11-25","10:21:31",""
"8106262","8.682","0.008","9.7","0.008","11.273","0.01","90.681","0.014","112.624","0.013","112.632","0.013","794.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N3 O3 S -","- C15 H19 N3 O3 S -","- C30 H38 N6 O6 S2 -","2","1","","Zong, Hai-Tao; Bian, Lin-Yan; Yan, Ling-Ling","Crystal structure of tert-butyl (2-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl)carbamate, C15H19N3O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","687","688","10.1515/ncrs-2018-0014","","","0.71073","MoKα","","0.0533","0.0405","","","0.1083","0.1171","","","","","","1.041","","","","has coordinates","279568","2022-11-25","10:27:56",""
"8106263","6.9906","0.0009","8.0075","0.0011","16.057","0.002","81.822","0.002","89.151","0.002","70.735","0.002","839.37","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 N4 O3 S -","- C14 H22 N4 O3 S -","- C28 H44 N8 O6 S2 -","2","1","","Wang, Wan-Wan; Zong, Hai-Tao; Wu, Wei-Na","Crystal structure of ethyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate–1-(propan-2-ylidene)thiosemicarbazide (1/1), C14H22N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","689","690","10.1515/ncrs-2018-0015","","","0.71073","MoKα","","0.056","0.0444","","","0.119","0.1299","","","","","","1.039","","","","has coordinates","279584","2022-11-28","08:21:45",""
"8106264","6.8237","0.0009","12.9229","0.0017","13.3275","0.0018","104.949","0.002","104.049","0.002","99.538","0.002","1068.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 Cu N8 O10 -","- C40 H50 Cu N8 O10 -","- C40 H50 Cu N8 O10 -","1","0.5","","Duan, Wei-Guo; Guo, Yi-Peng; Lin, Long; Wu, Wei-Na","Crystal structure of bis-(N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-3-hydroxybenzohydrazide-κ2 O,N)copper(II) – dimethylformamide (1/2), C40H50N8O10Cu","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","691","692","10.1515/ncrs-2018-0018","","","0.71073","MoKα","","0.0718","0.0497","","","0.1204","0.1343","","","","","","1.036","","","","has coordinates","279585","2022-11-28","08:26:01",""
"8106265","9.864","0.002","8.6657","0.0017","30.803","0.008","90","","106.67","0.03","90","","2522.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N12 O4 Zn -","- C22 H22 N12 O4 Zn -","- C88 H88 N48 O16 Zn4 -","4","1","","Li, Shan-Shan; Zhao, Xiao-Yang; Huang, Qiu-Ying; Meng, Xiang-Ru","Crystal structure of bis(acetato-κO)bis{2-((1H-tetrazol-1-yl)methyl)-1H-benzo[d]imidazole-κN}zinc(II), C22H22N12O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","693","695","10.1515/ncrs-2018-0022","","","0.71073","MoKα","","0.0799","0.063","","","0.1506","0.1625","","","","","","1.104","","","","has coordinates","279586","2022-11-28","08:29:23",""
"8106266","7.3832","0.0003","14.4702","0.0007","15.2806","0.0007","90","","90","","90","","1632.52","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N6 S -","- C17 H14 N6 S -","- C68 H56 N24 S4 -","4","1","","Aouad, Mohamed Reda; Messali, Mouslim; Rezki, Nadjet; Shivalingegowda, Naveen; Warad, Ismail","Crystal structure of 4-phenyl-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione, C17H14N6S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","697","698","10.1515/ncrs-2018-0025","","","1.54178","CuKα","","0.0359","0.0358","","","0.0944","0.0946","","","","","","1.075","","","","has coordinates","279587","2022-11-28","08:33:17",""
"8106267","14.3606","0.0004","7.425","0.0002","34.284","0.0009","90","","90","","90","","3655.62","0.17","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(Z)-<i>N</i>-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C168 H136 N24 O24 -","8","1","","Xiao, Xin-Sheng; Jia, Guo-Kai; Li, Wen-Yi; Chen, Xiu-Wen","Crystal structure of (Z)-N-(4-nitrophenyl)-3-phenyl-3-(phenylamino)acrylamide, C21H17N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","699","700","10.1515/ncrs-2018-0026","","","1.54178","CuKα","","","0.0399","","","","0.1178","","","","","","1.033","","","","has coordinates","279588","2022-11-28","08:38:57",""
"8106268","12.9171","0.0013","13.3953","0.0013","12.5808","0.0012","90","","97.766","0.001","90","","2156.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 F12 N4 P2 -","- C13 H22 F12 N4 P2 -","- C52 H88 F48 N16 P8 -","4","1","","Wan-Ming, Xiong; Long, Zhou; Shen-Ming, Lv; Xu-Liang, Nie; Jing, Chen; Chang-Gan, Huang","Crystal structure of 1,1′-(pentane-1,5-diyl)bis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C13H22F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","701","703","10.1515/ncrs-2018-0027","","","0.71073","MoKα","","0.0783","0.0583","","","0.1381","0.1557","","","","","","0.963","","","","has coordinates,has disorder","279589","2022-11-28","08:42:35",""
"8106269","6.1984","0.0002","14.394","0.0005","18.9651","0.0006","90","","90","","90","","1692.06","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O3 S -","- C17 H20 Cl N O3 S -","- C68 H80 Cl4 N4 O12 S4 -","4","1","","Zhao, Li-Xia; Wang, Qing-Rui; Zou, Yue-Li; Wu, Hao; Ye, Fei","Crystal structure of methyl (R)-4-(o-chlorobenzoyl)-1-thia-4-azaspiro[4.5]decane-3-carboxylate, C17H20ClNO3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","709","710","10.1515/ncrs-2018-0032","","","1.54178","CuKα","","0.027","0.0263","","","0.0676","0.0683","","","","","","1.006","","","","has coordinates","279590","2022-11-28","09:21:51",""
"8106270","8.2887","0.0003","14.1977","0.0005","21.3385","0.0007","107.142","0.003","92.773","0.003","104.24","0.003","2305.95","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N3 O3 -","- C28 H29 N3 O3 -","- C112 H116 N12 O12 -","4","2","","Zhou, Jinhui; Huang, Cuicui; Shi, Maojian; Liu, Jing; Ding, Lin","Crystal structure of 2-[[4-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]phenyl] methyl]-1H-isoindole-1,3(2H)-dione, C28H29N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","711","714","10.1515/ncrs-2018-0034","","x-ray","1.54184","CuKα","","0.062","0.0555","","","0.1536","0.162","","","","","","1.03","","","","has coordinates,has disorder","279591","2022-11-28","09:34:04",""
"8106271","7.2884","0.0009","11.9469","0.0015","12.2002","0.0016","95.862","0.002","106.659","0.002","93.189","0.002","1008.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O8 S -","- C21 H19 N O8 S -","- C42 H38 N2 O16 S2 -","2","1","","Li, Wu-Wu; Zheng, Min-Yan; Zhang, Zun-Ting","The crystal structure of benzenaminium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate hydrate, C21H19NO8S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","715","717","10.1515/ncrs-2018-0045","","","0.71073","MoKα","","0.1167","0.0659","","","0.1499","0.1831","","","","","","1.108","","","","has coordinates","279592","2022-11-28","09:37:13",""
"8106272","11.094","0.002","9.7164","0.0015","14.223","0.003","90","","90.738","0.009","90","","1533","0.5","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ag K3 Se9 -","- Ag K3 Se9 -","- Ag4 K12 Se36 -","4","1","","Kim, Kang-Woo; Kim, Hyoungjoong","Crystal structure of semiconducting potassium poly[(μ2-tetraselenido-κ2 Se 1:Se 4)(μ2-pentaselenido-κ1 Se 1:Se 1)argentate(I)], K3AgSe9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","719","720","10.1515/ncrs-2018-0046","","","0.71073","MoKα","","0.059","0.0377","","","0.0746","0.0832","","","","","","1.103","","","","has coordinates","279593","2022-11-28","09:44:00",""
"8106273","14.474","0.006","6.815","0.003","13.738","0.006","90","","90","","90","","1355.1","1","173","","173","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","0.5","","Wu, Jichun; Luo, Guoyong; Liu, Yuchen; Yang, Wude","Crystal structure of 2-isopropyl-8-methyl-phenanthrene-3,4-dione, C18H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","721","722","10.1515/ncrs-2018-0052","","","0.71073","MoKα","","0.0806","0.0583","","","0.1549","0.1759","","","","","","1.041","","","","has coordinates,has disorder","279594","2022-11-28","09:46:43",""
"8106274","8.4768","0.0013","8.7667","0.0014","11.1282","0.0017","73.284","0.003","73.041","0.003","83.391","0.003","757.1","0.2","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O2 -","- C19 H22 O2 -","- C38 H44 O4 -","2","1","","Wu, Jichun; Luo, Guoyong; Liu, Yuchen; Yang, Wude","Crystal structure of 2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione, C19H22O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","723","724","10.1515/ncrs-2018-0056","","","0.71073","MoKα","","0.0661","0.0509","","","0.1457","0.1613","","","","","","1.036","","","","has coordinates","279595","2022-11-28","09:50:15",""
"8106275","6.8679","0.0005","7.7096","0.0005","12.4043","0.0007","90","","101.332","0.002","90","","643.99","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br N2 O -","- C14 H13 Br N2 O -","- C28 H26 Br2 N4 O2 -","2","1","","Hong, Yong; Liu, Wei","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","725","726","10.1515/ncrs-2018-0070","","","0.71073","MoKα","","0.0406","0.0294","","","0.0655","0.0691","","","","","","1.035","","","","has coordinates","279596","2022-11-28","09:52:59",""
"8106276","9.8955","0.0006","11.0163","0.0006","19.9752","0.0014","90","","90","","90","","2177.5","0.2","123","2","123","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C28 H18 N2 -","- C28 H18 N2 -","- C112 H72 N8 -","4","0.5","","Bao-Xi, Miao; Hao, Sun; Zhong-Hai, Ni","Crystal structure of 1,1-di(4-cyanophenyl)-2,2-diphenylethene, C28H18N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","727","729","10.1515/ncrs-2018-0076","","","0.71073","MoKα","","0.0482","0.0402","","","0.0968","0.1012","","","","","","1.052","","","","has coordinates","279597","2022-11-28","09:55:14",""
"8106277","9.6179","0.0008","8.3133","0.0007","10.8235","0.0009","90","","102.253","0.002","90","","845.7","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N4 O5 V -","- C4 H7 N4 O5 V -","- C16 H28 N16 O20 V4 -","4","1","","Zhang, Heng-Qiang; Wu, Qiong; Zhang, Qi-Ying; Yang, Xue; Chen, Hong-Li","Crystal structure of bis(hydroxylamido-κ2 O,N)-oxido(1H-pyrazole-3-carboxylato-κ2 O,N)vanadium(V), C4H7N4O5V","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","731","732","10.1515/ncrs-2018-0077","","","0.71073","MoKα","","0.0283","0.0242","","","0.0687","0.0718","","","","","","1.068","","","","has coordinates","279598","2022-11-28","09:58:46",""
"8106278","6.6969","0.0009","6.6969","0.0009","4.4865","0.0009","90","","90","","90","","201.21","0.06","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","Indiumboratehydroxide","In1.2B3O5.6(OH)1.4","","- B3 H1.4 In1.2 O7 -","- B3 H1.4 In1.2 O7 -","- B6 H2.8 In2.4 O14 -","2","0.25","","Vitzthum, Daniela; Huppertz, Hubert","The crystal structure of In1.2B3O5.6(OH)1.4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","733","734","10.1515/ncrs-2018-0083","","","0.71073","MoKα","","0.0117","0.0117","","","0.0297","0.0297","","","","","","1.159","","","","has coordinates","279599","2022-11-28","10:04:09",""
"8106279","8.938","0.003","9.228","0.003","12.127","0.006","105.478","0.007","110.358","0.008","99.727","0.006","865","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Cu2 N8 O4 -","- C36 H30 Cl2 Cu2 N8 O4 -","- C36 H30 Cl2 Cu2 N8 O4 -","1","0.5","","Li, Wu-Wu; Zheng, Min-Yan; Zhang, Zun-Ting","The crystal structure of chlorido(2-(1H-pyrazol-3-yl)phenolato-κ2 N,O)(2-(1H-pyrazol-3-yl)phenol-κN)copper(II), C18H15ClCuN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","735","737","10.1515/ncrs-2018-0086","","","0.71073","MoKα","","0.0685","0.0504","","","0.1307","0.1447","","","","","","0.994","","","","has coordinates","279600","2022-11-28","10:06:41",""
"8106280","5.7074","0.0003","8.9811","0.0005","14.4312","0.0008","100.989","0.004","94.768","0.004","97.327","0.004","715.83","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H19 I N2 -","- C11 H19 I N2 -","- C22 H38 I2 N4 -","2","1","","Said, Musa A.; Aouad, Mohamed R.; Almutairi, Saud M.; Hughes, David L.; Messali, Mouslim","Crystal structure of 1-heptylpyridazin-1-ium iodide, C11H19N2I","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","739","741","10.1515/ncrs-2018-0090","","","0.71073","MoKα","","0.047","0.0386","","","0.0873","0.0913","","","","","","1.038","","","","has coordinates","279601","2022-11-28","10:09:45",""
"8106281","9.6625","0.0006","9.3486","0.0003","14.1168","0.0008","90","","102.288","0.005","90","","1245.97","0.11","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-butylpyridinium bis(μ~2~-dichlorido)-tetrachlorido-di-copper(II)","","- C9 H14 Cl3 Cu N -","- C9 H14 Cl3 Cu N -","- C36 H56 Cl12 Cu4 N4 -","4","1","","Abouserie, A.; Schilde, U.; Taubert, A.","The crystal structure of N-butylpyridinium bis(μ2-dichlorido)-tetrachloridodicopper(II), C18H28N2Cu2Cl6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","743","746","10.1515/ncrs-2018-0099","","","0.71073","MoKα","","0.0187","0.0182","","","0.0496","0.0499","","","","","","1.083","","","","has coordinates","279602","2022-11-28","10:11:54",""
"8106282","8.6657","0.0006","18.6201","0.0014","22.3583","0.0018","90","","91.808","0.003","90","","3605.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C160 H176 N16 O48 -","8","2","","Altowyan, Mezna Saleh; Ali, M.; Soliman, Saied M.; Naser, Almoqbl A.; Al-Majid, Abdullah Mohammed; Barakat, Assem","Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(4-methoxyphenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C20H22N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","747","749","10.1515/ncrs-2018-0103","","","0.71073","MoKα","","0.1226","0.0671","","","0.1494","0.1765","","","","","","1.065","","","","has coordinates","279603","2022-11-28","10:14:05",""
"8106283","7.8501","0.001","7.8289","0.001","8.2974","0.0017","90","","97.84","0.002","90","","505.17","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl2 Fe N2 O2 -","- C4 H10 Cl2 Fe N2 O2 -","- C8 H20 Cl4 Fe2 N4 O4 -","2","0.5","","Zuo, Jian","Crystal structure of bis(acetonitrile)-diaqua-dichloridoiron(II), C4H10Cl2N2O2Fe","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","751","752","10.1515/ncrs-2018-0109","","","0.71073","MoKα","","0.0676","0.0447","","","0.1119","0.1237","","","","","","1.088","","","","has coordinates","279604","2022-11-28","10:16:09",""
"8106284","28.3976","0.0019","10.5649","0.0007","12.1155","0.001","90","","97.662","0.007","90","","3602.4","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C144 H128 N32 O48 -","8","1","","Cui, Li-Jing; Zhang, Bin; Liu, Chun-Yan; Bian, Ming","Crystal structure of 2-amino-4-(2,4-dinitrophenyl)-3-cyano-7,7-dimethyl-5-oxo-4H-5,6,7,8-tetrahydrobenzo-pyran, C18H16N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","753","754","10.1515/ncrs-2017-0229","","","0.71073","MoKα","","0.0786","0.047","","","0.1032","0.1247","","","","","","1.039","","","","has coordinates","279605","2022-11-28","10:20:03",""
"8106285","21.2654","0.0005","11.1493","0.0003","17.3039","0.0004","90","","97.774","0.002","90","","4064.95","0.17","289.23","0.1","289.23","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C100 H60 Cd4 N12 O16 -","- C100 H60 Cd4 N12 O16 -","- C200 H120 Cd8 N24 O32 -","2","0.25","","Song, Wei; Xu, Xue-Li; Yang, Yan-Ju; Li, Shi-Hui","Crystal structure of catena-poly[(μ3-5-carboxy-2-(pyridin-4-yl)benzoato-κ5 O,O′:O′′,O′′′:O′′′)(1,10-phenanthroline-κ2 N,N′)cadmium(II)], C100H60N12O16Cd4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","755","756","10.1515/ncrs-2017-0299","","x-ray","0.71073","MoKα","","0.024","0.0213","","","0.0544","0.0559","","","","","","1.13","","","","has coordinates","279606","2022-11-28","10:24:02",""
"8106286","13.052","0.008","10.091","0.006","14.454","0.009","90","","114.446","0.011","90","","1733","1.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","He, Jing","Crystal structure of 2-amino-4-(3,4,5-trimethoxy-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C19H18N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","757","758","10.1515/ncrs-2017-0316","","","0.71073","MoKα","","0.0746","0.049","","","0.1384","0.1518","","","","","","1.107","","","","has coordinates","279607","2022-11-28","10:27:17",""
"8106287","17.8843","0.0015","7.1821","0.0006","6.3086","0.0006","90","","98.487","0.003","90","","801.45","0.12","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 1-{4-[(2-hydroxy-5-methyl benzylidene)amino]phenyl}ethanone O-ethyl-oxime, C18H20N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","759","761","10.1515/ncrs-2017-0359","","","0.71073","MoKα","","0.076","0.0533","","","0.1287","0.1411","","","","","","1.043","","","","has coordinates","279608","2022-11-28","10:30:29",""
"8106288","8.492","0.002","9.574","0.002","10.512","0.002","100.17","0.007","103.421","0.007","95.055","0.008","810.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Cu N4 O4 -","- C36 H38 Cu N4 O4 -","- C36 H38 Cu N4 O4 -","1","0.5","","Li, Peng-Peng; Li, Qing-Lin; Ma, Jin-Xia; Zhao, Ji-Xing; Zhao, Li","Crystal structure of bis{4-methyl-2-((E)-((4-((E)-1-(ethoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O)}copper(II), C36H38CuN4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","763","765","10.1515/ncrs-2017-0378","","","0.71073","MoKα","","0.0519","0.0418","","","0.1136","0.1193","","","","","","1.073","","","","has coordinates","279609","2022-11-28","10:33:21",""
"8106289","10.5538","0.0005","6.1691","0.0002","24.2831","0.0009","90","","100.519","0.004","90","","1554.44","0.11","294.39","0.1","294.39","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 Ni O6 -","- C34 H34 N4 Ni O6 -","- C68 H68 N8 Ni2 O12 -","2","0.5","","Ma, Jin-Xia; Li, Qing-Lin; Li, Peng-Peng; Zhao, Ji-Xing; Zhao, Li","Crystal structure of bis{5-methoxy-2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)phenolato-κ2 N,O}nickel(II), C34H34N4NiO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","767","769","10.1515/ncrs-2017-0379","","","0.71073","MoKα","","0.055","0.0402","","","0.0874","0.0973","","","","","","1.087","","","","has coordinates","279619","2022-11-29","08:21:02",""
"8106290","13.8224","0.0006","9.5222","0.0004","7.2104","0.0003","90","","101.991","0.004","90","","928.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 Ag2 O6 -","- C9 H4 Ag2 O6 -","- C36 H16 Ag8 O24 -","4","1","","Liu, Xue-Guo; Yan, Wei-Hong; Xing, Xiao-Jing; Fan, Hui-Tao; Shi, Zhen-Zhen","Crystal structure of poly[μ8-3-carboxyphthalat-κ8-O:O 1,O 1,O 1:O 2:O 3,O 3:O 4)silver(I)], C9H4Ag2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","771","772","10.1515/ncrs-2017-0381","","","0.71073","MoKα","","0.0383","0.0239","","","0.0396","0.0411","","","","","","1.006","","","","has coordinates","279620","2022-11-29","08:26:03",""
"8106291","8.7904","0.0007","12.0808","0.0011","14.3999","0.0011","68.001","0.008","81.114","0.006","83.933","0.007","1398.9","0.2","290.83","0.1","290.83","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","2","","Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Crystal structure of 2-((E)-((4-((E)-1-(hydroxyimino)ethyl)phenyl)iminio)methyl)-5-methoxyphenolate, C16H16N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","773","775","10.1515/ncrs-2017-0384","","","0.71073","MoKα","","0.1245","0.0658","","","0.1416","0.1827","","","","","","1.019","","","","has coordinates","279621","2022-11-29","08:28:48",""
"8106292","12.929","0.013","11.966","0.012","9.742","0.009","90","","107.449","0.019","90","","1438","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Li, Peng-Peng; Ma, Jin-Xia; Li, Qing-Lin; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-(4-(((E)-2-hydroxy-3-methoxybenzylidene)amino)phenyl)ethan-1-one oxime, C16H16N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","777","778","10.1515/ncrs-2017-0385","","","0.71073","MoKα","","0.071","0.0515","","","0.1587","0.1767","","","","","","1.061","","","","has coordinates","279622","2022-11-29","08:48:50",""
"8106293","6.7623","0.0002","21.1431","0.0006","8.8708","0.0002","90","","90","","90","","1268.31","0.06","200","2","200","2","","","","","","","","4","P m a 2","P 2 -2a","28","","","","- C13 H14 Cl N3 -","- C13 H13.75 Cl N3 -","- C52 H55 Cl4 N12 -","4","1","","Song, Xiao; Tang, Zhishu; Zuo, Zhenyu; Duan, Jinao","The crystal structure of 2-(tert-butyl)-4-chloro-6-phenyl-1,3,5-triazine, C13H14Cl1N3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","779","781","10.1515/ncrs-2017-0386","","","1.54178","CuKα","","0.04","0.0362","","","0.0928","0.0969","","","","","","1.071","","","","has coordinates,has disorder","279623","2022-11-29","08:55:14",""
"8106294","18.5053","0.0005","13.0864","0.0004","23.0284","0.0009","90","","102.367","0.003","90","","5447.3","0.3","290.7","0.2","290.7","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 Cd Cl4 N4 O4 -","- C22 H28 Cd Cl4 N4 O4 -","- C176 H224 Cd8 Cl32 N32 O32 -","8","1","","Ren, Zong-Li; Liu, Ling-Zhi; Zhang, Yang; Dong, Wen-Kui","Crystal structure of (6,6′-(((((2-aminoethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dichlorophenolato)-κ6 N,N′,N′′,N′′′,O,O′)cadmium(II) – ethanol – water (1/1/1), C22H28CdCl4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","783","785","10.1515/ncrs-2017-0395","","","1.54184","CuKα","","0.056","0.0457","","","0.118","0.1306","","","","","","1.033","","","","has coordinates","279624","2022-11-29","09:43:47",""
"8106295","3.8335","0.0002","11.1158","0.0007","15.4294","0.0007","90","","94.901","0.005","90","","655.08","0.06","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","","Li, Dongmi; Wang, Tingting; Geng, Lin","Crystal structure of 6-chloro-N-methylpyrimidin-4-amine, C5H6ClN3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","787","788","10.1515/ncrs-2017-0399","","x-ray","0.71073","MoKα","","0.0509","0.0388","","","0.0896","0.096","","","","","","1.053","","","","has coordinates","279625","2022-11-29","09:56:42",""
"8106296","21.443","0.007","13.862","0.005","11.733","0.004","90","","103.69","0.005","90","","3388","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N4 Ni O4 -","- C40 H34 N4 Ni O4 -","- C160 H136 N16 Ni4 O16 -","4","1","","Ma, Jin-Xia; Li, Qing-Lin; Li, Peng-Peng; Zhao, Ji-Xing; Zhao, Li","Synthesis and crystal structure of bis{((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)-2-naphtholato-κ2 N,O}nickel(II), C40H34N4NiO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","789","791","10.1515/ncrs-2017-0400","","","0.71073","MoKα","","0.068","0.0484","","","0.1228","0.1411","","","","","","1.066","","","","has coordinates","279626","2022-11-29","10:57:29",""
"8106297","4.7846","0.0002","9.6099","0.0004","10.326","0.0004","90","","103.137","0.001","90","","462.36","0.03","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","(E)-2-(4-bromophenyl)ethenesulfonyl fluoride","","- C8 H6 Br F O2 S -","- C8 H6 Br F O2 S -","- C16 H12 Br2 F2 O4 S2 -","2","0.5","","Khumalo, Mzilikazi; Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrick Gert; Naicker, Tricia","Crystal structure of (E)-2-(4-bromophenyl)ethenesulfonyl fluoride (C8H6BrFO2S)","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","793","794","10.1515/ncrs-2017-0412","","","0.71073","MoKα","","0.0215","0.0193","","","0.0494","0.0502","","","","","","1.087","","","","has coordinates,has disorder","279637","2022-11-30","08:08:03",""
"8106298","33.048","0.01","6.4688","0.0007","24.301","0.007","90","","133.3","0.05","90","","3781","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl4 N4 O8 -","- C36 H34 Cl4 N4 O8 -","- C144 H136 Cl16 N16 O32 -","4","0.5","","Ren, Zong-Li; Wei, Zhi-Li; Wang, Lan; Ma, Jian-Chun; Dong, Wen-Kui","Synthesis and crystal structure of 2,2′-ethylenedioxybis(benzimide)-2,2′-bis[O-(1-propyloxyamide)]oxime-4,4′,6,6′-tetrachlorodiphenol, C36H34Cl4N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","795","797","10.1515/ncrs-2017-0419","","","0.71073","MoKα","","0.0762","0.0477","","","0.0982","0.1016","","","","","","1.014","","","","has coordinates","279638","2022-11-30","08:12:38",""
"8106299","14.507","0.004","16.776","0.005","12.151","0.003","90","","108.596","0.004","90","","2802.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 Cd0.5 N5 O2 -","- C13 H14 Cd0.5 N5 O2 -","- C104 H112 Cd4 N40 O16 -","8","1","","Zhang, Ning; Su, Meijie; Xu, Gaoyuan; Li, Huijun","Crystal structure of bis(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)cadmium(II) – methanol (1/1), C26H28N10O4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","799","800","10.1515/ncrs-2017-0431","","","0.71073","MoKα","","0.0283","0.0258","","","0.0702","0.0719","","","","","","1.068","","","","has coordinates","279639","2022-11-30","08:16:02",""
"8106300","16.77","0.003","7.7185","0.0016","15.165","0.003","90","","108.409","0.003","90","","1862.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N7 O9 Sm -","- C12 H14 N7 O9 Sm -","- C48 H56 N28 O36 Sm4 -","4","1","","Mao, Xianjie; Li, Chuntong; Xu, Gaoyuan; Li, Huijun","Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)-bis(nitrato-κ2 O,O′)samarium(III), C12H14N7O9Sm","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","801","802","10.1515/ncrs-2017-0434","","","0.71073","MoKα","","0.0292","0.0262","","","0.0654","0.0672","","","","","","1.157","","","","has coordinates","279640","2022-11-30","08:19:03",""
"8106301","7.9366","0.0011","10.2389","0.0015","26.313","0.004","90","","90","","90","","2138.2","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Mn N4 O4 -","- C25 H18 Mn N4 O4 -","- C100 H72 Mn4 N16 O16 -","4","1","","Yan, Lingling; Yang, Peng; Zhi, Guanghui","Crystal structure of hexaaqua-{(E)-N′-(1-(pyrazin-2-yl)ethylidene)isonicotinohydrazide-κ3 N,N′,O}praseodym(III) trichloride monohydrate, C12H25Cl3N5O8Pr","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","803","804","10.1515/ncrs-2018-0007","","","0.71073","MoKα","","0.0613","0.0385","","","0.075","0.0832","","","","","","1.03","","","","has coordinates","279641","2022-11-30","08:28:49",""
"8106302","15.093","0.002","13.896","0.002","17.501","0.002","90","","90","","90","","3670.5","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","1","","Meng, Qing-Hua; Long, Xu; Liu, Jing-Li; Zhang, Shuan; Zhang, Guang-Hui","Crystal structure of methyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C21H22N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","805","806","10.1515/ncrs-2018-0017","","","0.71073","MoKα","","0.0737","0.0446","","","0.1094","0.1208","","","","","","1.054","","","","has coordinates","279642","2022-11-30","08:32:55",""
"8106303","9.055","0.003","17.601","0.006","11.817","0.004","90","","91.361","0.005","90","","1882.8","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","1","","Wang, Ning; Liu, Yu-Hang; Gao, Ming-Lei; Zhao, Ye; Wen, Ping","Crystal structure of ethyl 2-amino-4-(2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","807","808","10.1515/ncrs-2018-0019","","","0.71073","MoKα","","0.0503","0.0368","","","0.0969","0.1038","","","","","","1.057","","","","has coordinates","279643","2022-11-30","08:35:01",""
"8106304","8.2069","0.0011","11.9435","0.0015","16.817","0.002","90.119","0.001","97.992","0.001","106.995","0.001","1559.5","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c']dicarbazole","","","- C38 H38 Br2 N2 -","- C38 H38 Br2 N2 -","- C76 H76 Br4 N4 -","2","1","","Feng, Ying; Guo, Wei; Liu, Zhi; Luo, Xinyu; Zhang, Dingchao; Li, Li; Hu, Zhenhao","Crystal structure of 2,12-dibromo-5,15-dihexyl-5,15-dihydrobenzo [1,2-b:5,6-c′]dicarbazole, C38H38Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","809","811","10.1515/ncrs-2018-0020","","","0.71073","MoKα","","0.0364","0.03","","","0.0971","0.1025","","","","","","0.8","","","","has coordinates","279644","2022-11-30","08:47:14",""
"8106305","9.292","0.005","13.23","0.003","17.115","0.004","90","","106.04","0.05","90","","2022.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O7 -","- C22 H19 N O7 -","- C88 H76 N4 O28 -","4","1","","Wang, Ning; Liu, Yu-Hang; Liu, Da-Wei; Zhao, Ye; Wen, Ping","Crystal structure of ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","813","814","10.1515/ncrs-2018-0021","","","0.71073","MoKα","","0.0675","0.0441","","","0.1072","0.1156","","","","","","1.031","","","","has coordinates","279645","2022-11-30","08:50:51",""
"8106306","15.829","0.011","8.294","0.006","14.718","0.01","90","","93.339","0.012","90","","1929","2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C92 H84 N4 O20 -","4","1","","Liu, Xue-Kun; Geng, Xiao-Yu; Zhang, Meng; Ye, Bai-Jun; Shi, Zhan; Wang, Yan-Qiu","Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","815","816","10.1515/ncrs-2018-0023","","","0.71073","MoKα","","0.0976","0.0727","","","0.1883","0.206","","","","","","0.93","","","","has coordinates","279646","2022-11-30","09:18:20",""
"8106307","6.6161","0.0007","24.064","0.002","7.1768","0.0009","90","","115.463","0.015","90","","1031.6","0.2","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C44 H40 N16 O8 -","4","1","","Yuan, Juan; Xing, Ai-Ping; Cheng, Di","Crystal structure of 2-hydroxy-N′-(pyrimidin-2-yl)benzohydrazide, C11H10N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","817","818","10.1515/ncrs-2018-0029","","","0.71073","MoKα","","0.0554","0.0412","","","0.0886","0.0953","","","","","","1.059","","","","has coordinates","279647","2022-11-30","09:22:34",""
"8106308","6.449","0.008","10.548","0.014","17.84","0.02","90","","90","","90","","1214","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3,4-dimethylphenyl)-1,8-naphthyridine","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Jia, Guo-Kai; Chen, Xiao-Ming; He, Fu-Lin; Chen, Xiu-Wen; Wang, Zong-Cheng","Crystal structure of 2-(3,4-dimethylphenyl)-1,8-naphthyridine, C16H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","819","820","10.1515/ncrs-2018-0031","","","0.71075","MoKα","","0.058","0.0406","","","0.0857","0.0933","","","","","","0.999","","","","has coordinates","279648","2022-11-30","09:27:16",""
"8106309","18.781","0.007","15.749","0.006","14.081","0.005","90","","90","","90","","4165","3","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C184 H232 N8 O24 -","8","1","","Chen, Xuanhuang; Wu, Feng; Huang, Manwei; Zheng, Jinqing; Yu, Zhengxi; Chen, Jinhui","Crystal structure of ethyl 4-(3,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C23H29NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","821","822","10.1515/ncrs-2018-0033","","","0.71073","MoKα","","0.1274","0.0614","","","0.161","0.1874","","","","","","0.988","","","","has coordinates","279685","2022-12-05","09:33:10",""
"8106310","15.333","0.011","14.146","0.011","17.64","0.013","90","","90","","90","","3826","5","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C176 H192 N16 O24 -","8","1","","Song, Ji-Dong; Wang, Li-Li","Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","823","824","10.1515/ncrs-2018-0036","","","0.71073","MoKα","","0.1042","0.0533","","","0.1257","0.1431","","","","","","1.04","","","","has coordinates,has disorder","279686","2022-12-05","09:37:40",""
"8106311","7.302","0.004","11.307","0.005","20.414","0.01","90","","90","","90","","1685.5","1.4","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Zou, Juan; Zhao, Chen-Liang; Ye, Jiang-Hai; He, Kang; Tang, Ren-Tao; Pan, Lu-Tai","Crystal structure of 7β,9β-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","825","826","10.1515/ncrs-2018-0037","","","0.71073","MoKα","","0.1036","0.067","","","0.1556","0.1748","","","","","","1.026","","","","has coordinates","279687","2022-12-05","09:41:33",""
"8106312","21.684","0.013","7.275","0.004","14.32","0.009","90","","118.975","0.011","90","","1976","2","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H30 O8 -","- C20 H30 O8 -","- C80 H120 O32 -","4","1","","Ye, Jiang-Hai; Zhao, Chen-Liang; Zou, Juan; He, Kang; Teng, Chao-Jie; Pan, Lu-Tai","Crystal structure of Ent-7β,20-epoxy-kaur-16-en-1β,6α,7α,14α,15α-pentaol-20-one, C20H30O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","827","828","10.1515/ncrs-2018-0038","","","0.71073","MoKα","","0.0423","0.0362","","","0.0889","0.092","","","","","","1.063","","","","has coordinates","279688","2022-12-05","09:44:18",""
"8106313","7.5482","0.001","7.0055","0.0009","18.245","0.003","90","","101.709","0.004","90","","944.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 O8 -","- C22 H20 O8 -","- C44 H40 O16 -","2","1","","Deng, Rui; Zhao, Chen-Liang; Ye, Jiang-Hai; Liu, Ya-Hua; Zou, Juan; Pan, Lu-Tai","Crystal structure of 1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate, C22H20O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","829","830","10.1515/ncrs-2018-0039","","","0.71073","MoKα","","0.0549","0.0444","","","0.1121","0.1199","","","","","","1.0631","","","","has coordinates","279689","2022-12-05","09:47:35",""
"8106314","8.4076","0.0006","8.663","0.0005","12.0763","0.0008","102.046","0.003","97.453","0.003","99.28","0.003","836.7","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Crystal structure of methyl 2-((4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl) methyl)benzoate","","- C18 H16 N4 O5 -","- C18 H16 N4 O5 -","- C36 H32 N8 O10 -","2","1","","Wang, Zhe; Hong, Wei; Wang, Hao","Crystal structure of methyl 2-((4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl) benzoate, C18H16N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","831","832","10.1515/ncrs-2018-0041","","","0.71073","MoKα","","0.0561","0.0396","","","0.0895","0.0972","","","","","","1.022","","","","has coordinates","279690","2022-12-05","09:53:04",""
"8106315","9.0277","0.0004","12.0102","0.0005","15.3939","0.0005","90","","95.04","0.003","90","","1662.62","0.11","292.04","0.1","292.04","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 N2 O5 Zn0.5 -","- C6 H7 N2 O5 Zn0.5 -","- C48 H56 N16 O40 Zn4 -","8","1","","Xiao-Ling, Li; Ru-Meng, Zhang; Li, Liu","Crystal structure of diaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2 N,O)zinc(II), C12H14N4O10Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","833","834","10.1515/ncrs-2018-0042","","x-ray","0.71073","MoKα","","0.025","0.0242","","","0.0637","0.0642","","","","","","1.122","","","","has coordinates","279691","2022-12-05","09:56:17",""
"8106316","7.7186","0.0003","9.8439","0.0003","11.6084","0.0003","104.288","0.003","94.024","0.003","97.365","0.003","842.91","0.05","291.03","0.1","291.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Mn N4 O11 -","- C12 H16 Mn N4 O11 -","- C24 H32 Mn2 N8 O22 -","2","1","","Guang-Zhen, Liu; Meng-Zhen, Yan","Hydrothemal synthesis and crystal structure of triaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2 N,O;κ1O)manganese(II), C12H16N4O11Mn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","835","836","10.1515/ncrs-2018-0043","","x-ray","0.71073","MoKα","","0.0346","0.0322","","","0.0806","0.0822","","","","","","1.063","","","","has coordinates","279692","2022-12-05","09:59:08",""
"8106317","9.275","0.005","18.213","0.009","11.403","0.006","90","","109.718","0.009","90","","1813.3","1.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Wang, Qian-Qian; Wang, Da-Xiang; Liu, Qian-Qian","Redetermination of methyl 4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","837","838","10.1515/ncrs-2018-0044","","","0.71073","MoKα","","0.0788","0.0483","","","0.1192","0.1346","","","","","","1.078","","","","has coordinates","279693","2022-12-05","10:03:55",""
"8106318","27.6123","0.0009","9.6238","0.0004","21.1748","0.0008","90","","101.088","0.004","90","","5521.9","0.4","291","2","291.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N12 S2 Zn -","- C24 H22 N12 S2 Zn -","- C192 H176 N96 S16 Zn8 -","8","1","","Yang, Hai-Yan; Zhao, Yao-Min; He, Fang; Li, Hui; Wang, Hong-Fang; Li, Ying-Hua","Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1-H-1,3-(2-methyl-imdazol)-κN}-dithiocyano-κN-zinc(II) C24H22N12S2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","839","841","10.1515/ncrs-2018-0047","","","0.71073","MoKα","","0.0885","0.0481","","","0.0897","0.1047","","","","","","1.015","","","","has coordinates","279694","2022-12-05","10:06:59",""
"8106319","8.5781","0.0017","5.3121","0.0011","23.578","0.005","90","","96.68","0.03","90","","1067.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-fluorouracil-1-methyl furan-2-carboxylate","(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl furan-2-carboxylate","","- C10 H7 F N2 O5 -","- C10 H7 F N2 O5 -","- C40 H28 F4 N8 O20 -","4","1","","Yan, Xiaowei; Zhu, Dongjian; Zhong, Xing; Wang, Sujuan","Crystal structure of (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl furan-2-carboxylate, C10H7FN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","843","844","10.1515/ncrs-2018-0049","","","0.71073","MoKα","","0.0592","0.0375","","","0.091","0.1138","","","","","","1.091","","","","has coordinates","279695","2022-12-05","10:10:12",""
"8106320","7.7061","0.0015","12.654","0.003","13.993","0.003","68.25","0.03","78.71","0.03","88.89","0.03","1240.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tri-mu-chloro-bis[(eta^6^-p-cymene)ruthenium(II)] Tetrafluoroborate","","- C20 H28 B Cl3 F4 Ru2 -","- C20 H28 B Cl3 F4 Ru2 -","- C40 H56 B2 Cl6 F8 Ru4 -","2","1","","Yan, Xiaowei; Zhu, Dongjian; Zhong, Xing; Wang, Sujuan","Crystal structure of bis(η6-cymene)-tri-μ2-chlorido-ruthenium(II) tetrafluoroborate, C20H28BCl3F4Ru2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","845","847","10.1515/ncrs-2018-0050","","","0.71073","MoKα","","0.0957","0.0686","","","0.1826","0.2017","","","","","","1.058","","","","has coordinates","279696","2022-12-05","10:13:39",""
"8106321","22.151","0.004","12.484","0.002","10.2018","0.0019","90","","101.073","0.006","90","","2768.6","0.8","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C128 H96 N32 S8 -","8","2","","Ding, Qichun; Dai, Shudong; Zhang, Li-Xue","Crystal structure of 3,6-diphenyl-7H-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazine, C16H12N4S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","849","851","10.1515/ncrs-2018-0051","","","0.71073","MoKα","","0.0897","0.0522","","","0.1239","0.1428","","","","","","1.0262","","","","has coordinates","279697","2022-12-05","10:17:22",""
"8106322","15.3939","0.0006","7.3053","0.0003","16.8282","0.0006","90","","91.567","0.003","90","","1891.74","0.13","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 N6 O6 -","- C22 H8 N6 O6 -","- C88 H32 N24 O24 -","4","1","","Aljuhani, Ateyatallah; Said, Musa A.; Hughes, David L.; Cammidge, Andrew N.","Synthesis and crystal structure of 1,3-bis[(3,4-dicyano)phenoxy]-4,6-dinitro-benzene, C22H8N6O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","853","855","10.1515/ncrs-2018-0053","","","0.71073","Mo-Kα","","0.0877","0.051","","","0.0775","0.0867","","","","","","1.038","","","","has coordinates","279698","2022-12-05","10:19:31",""
"8106323","7.423","0.005","27.798","0.003","9.55","0.002","90","","117.62","0.04","90","","1746","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 N O5 -","- C18 H15 Cl2 N O5 -","- C72 H60 Cl8 N4 O20 -","4","1","","Li, Jing-Yao","Crystal structure of ethyl 2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H,5H-pyrano [4,3-b]pyran-3-carboxylate, C18H15Cl2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","857","858","10.1515/ncrs-2018-0054","","","0.71073","MoKα","","0.0518","0.0395","","","0.0982","0.103","","","","","","1.084","","","","has coordinates","279699","2022-12-05","10:24:38",""
"8106324","19.046","0.003","45.458","0.006","11.4233","0.0016","90","","90","","90","","9890","2","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C25 H23 Co2 N4 O8.5 -","- C25 H23 Co2 N4 O8.5 -","- C400 H368 Co32 N64 O136 -","16","1","","Zhao, Ganlin","Crystal structure of poly[μ3-hydroxy-(μ5-(5-(2-carboxylatophenoxy)isophthalato-κ6 O 1:O 2:O 3:O 4:O 5,O 6)-(μ2-1,4-di(1H-imidazol-1-yl)butane-κ2 N:N′)dicobalt(II)] hemihydrate, C25H22Co2N4O8.5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","859","861","10.1515/ncrs-2018-0058","","","0.71073","MoKα","","0.0446","0.0339","","","0.0589","0.0618","","","","","","1.007","","","","has coordinates","279700","2022-12-05","10:28:34",""
"8106325","9.597","0.002","18.236","0.005","11.64","0.003","90","","111.355","0.005","90","","1897.3","0.8","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Br N O3 -","- C20 H22 Br N O3 -","- C80 H88 Br4 N4 O12 -","4","1","","Ren, Tao-Wen; Xiao, Xing-Peng; Li, Bai-Yu; Zhao, Yu-Mei; Peng, Shao-Peng","Crystal structure of methyl 4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C20H22BrNO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","863","864","10.1515/ncrs-2018-0060","","","0.71073","MoKα","","0.1073","0.0497","","","0.1098","0.124","","","","","","0.991","","","","has coordinates","279701","2022-12-05","10:31:47",""
"8106326","7.595","0.004","19.478","0.009","20.91","0.011","90","","99.124","0.01","90","","3054","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 N O12 -","- C35 H33 N O12 -","- C140 H132 N4 O48 -","4","1","","Yanjie, Zhang; Benyong, Lou; Yali, Huang; Xiaodong, Huang; Huazhong, Wu","Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate trihydrate, C35H33NO12","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","865","867","10.1515/ncrs-2018-0061","","","0.71073","MoKα","","0.0965","0.0689","","","0.1628","0.1793","","","","","","1.156","","","","has coordinates","279702","2022-12-05","10:34:42",""
"8106327","10.9621","0.0006","19.7851","0.0011","14.1928","0.0009","90","","100.957","0.006","90","","3022.1","0.3","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N4 O S2 -","- C38 H24 N4 O S2 -","- C152 H96 N16 O4 S8 -","4","1","","Wu, Qiong; Zhang, Heng-Qiang; Ramanaskanda, Braveenth; Chai, Kyu-Yun","Crystal structure of 2,5-bis(4-(10H-phenothiazin-10-yl)phenyl)-1,3,4-oxadiazole, C38H24N4OS2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","869","871","10.1515/ncrs-2018-0064","","","0.71073","MoKα","","0.0897","0.0528","","","0.109","0.1294","","","","","","1.021","","","","has coordinates","279703","2022-12-05","10:37:43",""
"8106328","11.115","0.004","6.878","0.003","18.024","0.007","90","","99.964","0.008","90","","1357.1","0.9","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Luo, Guoyong; Yang, Wude; Lang, Tianqiong; Zhao, Chenliang; Zhang, Jingjie","The crystal structure of (E)-2-(4-hydroxyphenyl)-5-(prop-1-en-1-yl)benzofuran-3-carbaldehyde, C18H14O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","873","874","10.1515/ncrs-2018-0066","","","0.71073","MoKα","","0.109","0.0601","","","0.1613","0.1892","","","","","","1.024","","","","has coordinates","279704","2022-12-05","10:40:58",""
"8106329","14.8835","0.0006","14.5551","0.0006","23.6","0.0009","90","","90","","90","","5112.5","0.4","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Bi2 O5 -","- C29 H24 Bi2 O5 -","- C232 H192 Bi16 O40 -","8","1","","Tan, Nianyuan; Dang, Limin; Lan, Donghui; Wu, Shuisheng; Au, Chak-Tong; Yi, Bing","Crystal structure of bis{5H-dibenzo[c,f][1,5]oxabismocin-12(7H)-yl} carbonate, C29H24O5Bi2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","875","877","10.1515/ncrs-2018-0067","","","0.71073","MoKα","","0.0478","0.0293","","","0.0531","0.0579","","","","","","1.011","","","","has coordinates","279721","2022-12-06","08:19:08",""
"8106330","7.0353","0.0005","15.1943","0.0008","24.8536","0.0013","90","","92.314","0.004","90","","2654.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N5 O7 -","- C26 H31 N5 O7 -","- C104 H124 N20 O28 -","4","1","","Lu, Zhongliang; Wei, Zhen; Wu, Wei-Na","Crystal structure of ethyl-5-formyl-3,4-dimethylpyrrole-2-carboxylate — N-(5-ethoxycarbonyl-3,4-dimethylpyrrole)-2-methylene-5-nitrobenzene-1,2-diamine (1:1), C26H31N5O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","879","880","10.1515/ncrs-2018-0068","","","0.71073","MoKα","","0.0835","0.0535","","","0.1415","0.1615","","","","","","1.04","","","","has coordinates,has disorder","279722","2022-12-06","08:25:23",""
"8106331","3.9454","0.001","24.189","0.006","13.728","0.003","90","","90.07","","90","","1310.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl N2 O -","- C14 H12 Br Cl N2 O -","- C56 H48 Br4 Cl4 N8 O4 -","4","1","","Hong, Yong; Liu, Wei","Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-6-bromo-4-chlorophenol, C14H12BrClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","881","882","10.1515/ncrs-2018-0074","","","0.71073","MoKα","","0.0834","0.0589","","","0.1337","0.1584","","","","","","1.028","","","","has coordinates","279723","2022-12-06","08:28:33",""
"8106332","19.0523","0.0019","9.3818","0.0008","21.0602","0.0017","90","","107.303","0.01","90","","3594","0.6","173","0.1","173","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C168 H128 Cl8 N24 O16 -","8","1","","Zhang, Heng-Qiang; Wu, Qiong; Jin, Tong-Yin; Li, Ying-Ying; Chen, Hong-Li","Crystal structure of (Z)-2-(4-chlorophenyl)-4-(furan-2-yl(phenylamino)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, C21H16ClN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","883","884","10.1515/ncrs-2018-0075","","","0.71073","MoKα","","0.1219","0.0644","","","0.1319","0.1655","","","","","","0.989","","","","has coordinates","279724","2022-12-06","08:31:36",""
"8106333","29.937","0.0018","15.6432","0.0008","14.2792","0.0008","90","","90.819","0.002","90","","6686.4","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-chloro-4,6-bis[<i>N</i>-(1,2,2,6,6-pentam-ethyl-4-piperidinyl) -butylamino]-1,3,5- triazine","","- C31 H58 Cl N7 -","- C31 H58 Cl N7 -","- C248 H464 Cl8 N56 -","8","2","","Xiao, Jian; Wang, Kai; Chen, Qiang; Zhang, Xiu-Qin; Lu, Guo-Yuan","Crystal structure of N 2,N 4-dibutyl-6-chloro-N 2,N 4-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine, C31H58ClN7 – Important intermediate of Chimassorb 119 synthesis","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","885","888","10.1515/ncrs-2018-0079","","","0.71073","MoKα","","0.1262","0.0671","","","0.1665","0.1925","","","","","","1.067","","","","has coordinates","279725","2022-12-06","08:34:42",""
"8106334","14.4197","0.0009","7.5423","0.0005","14.9602","0.0009","90","","114.665","0.002","90","","1478.59","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","","Mphahlele, Malose J.","Crystal structure of 1-(5-bromo-2-(4-methoxyphenyl)-1H-indol-7-yl)ethanone oxime, C17H15BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","889","891","10.1515/ncrs-2018-0081","","x-ray","0.71073","MoKα","","0.021","0.0196","","","0.0516","0.0526","","","","","","1.084","","","","has coordinates","279726","2022-12-06","08:37:51",""
"8106335","17.2427","0.0006","11.7453","0.0003","21.1828","0.0007","90","","90","","90","","4290","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C156 H140 Mn8 N36 O60 S8 -","- C156 H140 Mn8 N36 O60 S8 -","- C156 H140 Mn8 N36 O60 S8 -","1","0.25","","Chen, Xiao-Miao; Liu, Zheng-Jun; Deng, Tao-Li","Crystal structure of poly-{diaqua-bis[(μ2-3-nitrobenzenesulfonylglycine-κ3 N:O:O′)(4,4′-bipyridine)manganese(II)]}-dimethylformamide (1/1), C39H35Mn2N9O15S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","893","895","10.1515/ncrs-2018-0082","","","0.71073","MoKα","","0.0473","0.0366","","","0.0877","0.096","","","","","","1.018","","","","has coordinates","279727","2022-12-06","08:40:26",""
"8106336","14.903","0.002","9.1004","0.0015","8.756","0.0014","90","","90","","90","","1187.5","0.3","296","","296","","","","","","","","see text","5","P n m a","-P 2ac 2n","62","","","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","0.5","","Messali, Mouslim; Aouad, Mohamed Reda; Rezki, Nadjet; Almutairi, M. Saud; Warad, Ismail","Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","897","898","10.1515/ncrs-2018-0084","","x-ray","1.54178","CuKα","","0.0285","0.0284","","","0.0795","0.0795","","","","","","1.082","","","","has coordinates,has disorder","279728","2022-12-06","08:45:27",""
"8106337","12.955","0.007","10.425","0.007","20.149","0.013","90","","102.415","0.014","90","","2658","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C120 H88 Cl8 N16 O16 -","8","1","","Li, Da; Zhou, Yan; Zhong, Wei; Peng, Ling","Crystal structure of 2-amino-5-oxo-4-(4-chloro-phenyl)-4,5,6,7-tetrahydro-cyclopenta[b]pyran-3-carbonitrile, C15H11ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","899","900","10.1515/ncrs-2018-0087","","","0.71073","MoKα","","0.0489","0.0361","","","0.087","0.0917","","","","","","1.053","","","","has coordinates","279729","2022-12-06","08:48:24",""
"8106338","12.682","0.0011","7.9486","0.0006","19.6429","0.0015","90","","103.057","0.003","90","","1928.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co N6 O7 -","- C16 H18 Co N6 O7 -","- C64 H72 Co4 N24 O28 -","4","1","","Ren-Shu, Wang; Jing, Feng","Crystal structure of triaqua-(pyridine-2,6-dicarboxylato-κ3 O,N,O′)cobalt(II) – 6-phenyl-1,3,5-triazine-2,4-diamine (1/1), C16H18CoN6O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","901","902","10.1515/ncrs-2018-0088","","","0.71073","MoKα","","0.0646","0.0429","","","0.0947","0.1077","","","","","","0.97","","","","has coordinates","279730","2022-12-06","09:27:16",""
"8106339","8.1261","0.0014","11.829","0.002","20.123","0.004","90","","98.002","0.003","90","","1915.5","0.6","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Yang, Dao-Qiu; Li, Zhen-Ming","Crystal structure of ethyl 2-amino-4-(3-cyanophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C21H22N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","903","904","10.1515/ncrs-2018-0089","","","0.71073","MoKα","","0.0559","0.0394","","","0.0965","0.1043","","","","","","1.079","","","","has coordinates","279731","2022-12-06","09:33:55",""
"8106340","8.2425","0.0008","8.2814","0.0007","12.4713","0.0012","93.37","0.004","101.59","0.004","118.222","0.003","723.03","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene oxide","","- C12 H5 Cl2 N5 O7 -","- C12 H5 Cl2 N5 O7 -","- C24 H10 Cl4 N10 O14 -","2","1","","Junyan, Cao; Jianlong, Wang; Lizhen, Chen; Luyao, Zhang","Crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H5Cl2N5O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","905","906","10.1515/ncrs-2018-0091","","","0.71073","MoKα","","0.1078","0.0516","","","0.0738","0.0858","","","","","","1.049","","","","has coordinates","279732","2022-12-06","09:37:14",""
"8106341","10.7951","0.0012","8.1053","0.0009","10.8626","0.0009","90","","100.371","0.004","90","","934.92","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,4-dimethyl-2,6-dinitrophenol","","- C8 H8 N2 O5 -","- C8 H8 N2 O5 -","- C32 H32 N8 O20 -","4","1","","Shaomin, Xue; Jianlong, Wang; Fanfan, Shen; Chuangang, Liu","Crystal structure of 3,4-dimethyl-2,6-dinitrophenol, C8H8N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","907","908","10.1515/ncrs-2018-0092","","","0.71073","MoKα","","0.1406","0.0686","","","0.116","0.1382","","","","","","1.034","","","","has coordinates","279733","2022-12-06","09:47:10",""
"8106342","14.6418","0.0013","3.8852","0.0004","15.7884","0.0015","90","","108.417","0.003","90","","852.14","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-dimethyl-3,5-dinitrobenzene","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","","Jianlong, Wang; Shaomin, Xue; Fanfan, Shen; Zishuai, Xu","Crystal structure of 1,2-dimethyl-3,5-dinitrobenzene, C8H8N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","909","910","10.1515/ncrs-2018-0093","","","0.71073","MoKα","","0.0882","0.0505","","","0.102","0.1159","","","","","","1.056","","","","has coordinates","279734","2022-12-06","10:18:37",""
"8106343","17.215","0.011","15.749","0.011","14.136","0.009","90","","90","","90","","3833","4","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H24 Cl N O3 -","- C21 H24 Cl N O3 -","- C168 H192 Cl8 N8 O24 -","8","1","","Gou, Wei; Zhou, Yan; Zhong, Wei; Wang, Yang; Yang, Bai-Yuan; Zhao, An-Rong","Crystal structure of ethyl 4-(3-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C21H24ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","911","912","10.1515/ncrs-2018-0094","","","0.71073","MoKα","","0.0932","0.0578","","","0.1563","0.1769","","","","","","1.076","","","","has coordinates","279735","2022-12-06","10:21:55",""
"8106344","13.7865","0.0002","13.0725","0.0002","15.9606","0.0002","90","","100.737","0.0014","90","","2826.12","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl3 N O -","- C14 H10 Cl3 N O -","- C112 H80 Cl24 N8 O8 -","8","2","","Sun, Wei; Zuo, Li-Min; Zhao, Ting; Zhu, Zhi-Ling; Liu, Yong-Hua; Shan, Guang-Zhi","Crystal structure of N-(4-chlorophenyl)-2-(2,6-dichlorophenyl)acetamide, C14H10Cl3NO","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","913","914","10.1515/ncrs-2018-0096","","x-ray","1.54184","CuKα","","0.0827","0.0662","","","0.1818","0.198","","","","","","1.073","","","","has coordinates","279736","2022-12-06","10:25:59",""
"8106345","8.8312","0.0005","12.9378","0.0009","13.1531","0.0008","90","","93.022","0.005","90","","1500.73","0.16","293","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 F N2 O3 -","- C19 H11 F N2 O3 -","- C76 H44 F4 N8 O12 -","4","1","","He, Lian-Man; Gao, Chuan-Yu","Crystal structure of 2-amino-4-(4-fluorophenyl)-3-cyano-5-oxo-4H,5H-pyrano[3,2c] chromene, C19H11FN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","915","916","10.1515/ncrs-2018-0100","","","0.71073","MoKα","","0.059","0.0411","","","0.0926","0.1059","","","","","","1.05","","","","has coordinates","279737","2022-12-06","10:29:12",""
"8106346","7.961","0.003","11.136","0.004","11.588","0.004","76.357","0.01","84.998","0.01","76.989","0.01","972.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H14 F3 Fe N3 O3 -","- C21 H14 F3 Fe N3 O3 -","- C42 H28 F6 Fe2 N6 O6 -","2","1","","Guo, Ying; Ruan, Ban-Feng","The crystal structure of (4-nitrophenyl) (5-ferrocenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl) methanone, C21H12F3FeN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","917","918","10.1515/ncrs-2018-0102","","","0.71073","MoKα","","0.0871","0.0509","","","0.1156","0.1304","","","","","","1.019","","","","has coordinates","279761","2022-12-07","08:18:19",""
"8106347","9.2557","0.0004","10.2606","0.0005","14.0972","0.0007","71.949","0.002","89.305","0.002","86.061","0.002","1269.84","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 S2 -","- C24 H30 N4 O6 S2 -","- C48 H60 N8 O12 S4 -","2","1","","Altowyan, Mezna saleh; Ali, M.; AlRuqi, Obaid S.; Al-Majid, Abdullah Mohammed; Barakat, Assem","Crystal structure of 5,5′-((3-hydroxy-4-methoxyphenyl)methylene)bis(1,3-diethyl-6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one), C24H30N4O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","919","921","10.1515/ncrs-2018-0105","","","0.71073","MoKα","","0.117","0.058","","","0.1192","0.142","","","","","","1.039","","","","has coordinates","279762","2022-12-07","08:22:55",""
"8106348","9.6178","0.0008","13.3335","0.0011","19.0758","0.0016","90","","90","","90","","2446.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O5 -","- C26 H41 N O5 -","- C104 H164 N4 O20 -","4","1","","Liang, Yan; Fu, Yun-Xing; Liang, Jian-Ping","Crystal structure of (3aR,4R,5R,7R,8S,9R,9aS,12R)-7-ethyl-5-(1-hydroxy-2-((R)-3-hydroxypyrrolidin-1-yl)ethoxy)-4,7,9,12-tetramethyldecahydro-4,9a-propanocyclopenta[8]annulene-3,8-diol – a pleuromutilin derivative, C26H41NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","923","925","10.1515/ncrs-2018-0107","","","0.71073","MoKα","","0.0472","0.0389","","","0.084","0.0888","","","","","","1.002","","","","has coordinates","279763","2022-12-07","08:26:09",""
"8106349","9.667","0.0009","10.5089","0.0011","13.2081","0.0012","109.879","0.002","97.894","0.001","92.201","0.001","1244.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H47 Cd2 N7 O10 -","- C52 H47 Cd2 N7 O10 -","- C52 H47 Cd2 N7 O10 -","1","0.5","","Niu, Xue L.; Yang, Hua","Crystal structure of bis(μ2-3-formyl-5-methoxy-2-oxidobenzoato-κ3 O,O′:O′)-hexapyridine-dicadmium(II) – pyridine (1/1), C53H47Cd2N7O10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","927","929","10.1515/ncrs-2018-0108","","","0.71073","MoKα","","0.0612","0.0388","","","0.0829","0.0926","","","","","","1.023","","","","has coordinates,has disorder","279764","2022-12-07","08:29:39",""
"8106350","9.195","0.004","17.253","0.005","12.127","0.005","90","","95.1","0.016","90","","1916.2","1.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","1","","Shi, Lei; Zhang, Dehui; Zhang, Liangyu","Crystal structure of ethyl 2-amino-4-(3-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","931","932","10.1515/ncrs-2018-0110","","","0.71073","MoKα","","0.0579","0.0405","","","0.1007","0.1084","","","","","","1.055","","","","has coordinates","279765","2022-12-07","08:32:49",""
"8106351","14.849","0.004","10.497","0.003","28.694","0.007","90","","97.682","0.005","90","","4432","2","293","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 F12 N2 O7 -","- C44 H44 F12 N2 O7 -","- C176 H176 F48 N8 O28 -","4","0.5","","Chen, Liyan","Crystal structure of methyl 4-(3,5-ditrifluoromethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate — water (2/1), C22H21F6NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","933","934","10.1515/ncrs-2018-0112","","","0.71073","MoKα","","0.1379","0.0736","","","0.2073","0.2405","","","","","","1.056","","","","has coordinates","279766","2022-12-07","08:36:55",""
"8106352","9.995","0.004","13.845","0.005","20.213","0.007","90","","90","","90","","2797.1","1.8","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 Br N2 -","- C17 H13 Br N2 -","- C136 H104 Br8 N16 -","8","1","","Zhang, Min; Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin","Crystal structure of 2-(4-bromophenyl)-2,3-dihydro-1H-perimidine, C17H13BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","935","936","10.1515/ncrs-2018-0113","","","0.71073","MoKα","","0.0391","0.0304","","","0.0724","0.0784","","","","","","1.077","","","","has coordinates","279767","2022-12-07","08:49:41",""
"8106353","6.1028","0.0013","10.885","0.002","20.737","0.004","100.673","0.002","92.465","0.002","98.973","0.002","1333.5","0.5","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Yuan, Xian-You; Yuan, Lin; Zhang, Min; Li, Zhong-Yan","Crystal structure of (5-ethyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl)methanol, C14H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","937","938","10.1515/ncrs-2018-0114","","","0.71073","MoKα","","0.0585","0.0431","","","0.1116","0.1225","","","","","","1.042","","","","has coordinates","279768","2022-12-07","08:52:48",""
"8106354","7.4754","0.0003","17.6666","0.0007","10.9145","0.0004","90","","103.52","0.001","90","","1401.48","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Mphahlele, Malose J.","Crystal structure of (E)-N-(4-bromo-2-(1-(hydroxyimino)ethyl)phenyl)benzamide, C15H13BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","939","940","10.1515/ncrs-2018-0115","","x-ray","0.71073","MoKα","","0.0397","0.029","","","0.0673","0.0713","","","","","","1.032","","","","has coordinates","279769","2022-12-07","08:56:06",""
"8106355","14.7257","0.0007","10.5712","0.0005","16.7501","0.0008","90","","114.408","0.002","90","","2374.4","0.2","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 I3 N8 O4 -","- C16 H21 I3 N8 O4 -","- C64 H84 I12 N32 O16 -","4","1","","Merkelbach, Johannes; Majewski, Martha A.; Reiss, Guido J.","Crystal structure of caffeinium triiodide – caffeine (1/1), C16H21I3N8O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","941","944","10.1515/ncrs-2018-0125","","","0.71073","MoKα","","0.0343","0.0254","","","0.0661","0.076","","","","","","1.095","","","","has coordinates,has disorder","279770","2022-12-07","08:59:59",""
"8106356","17.349","0.005","7.354","0.002","25.757","0.007","90","","97.637","0.005","90","","3257","1.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C152 H168 N8 O32 -","8","1","","Ma, Jun; Dai, Weiwei; Feng, Weiwei; Lin, Tingting; Zhou, Lijing; Qin, Wei; Wang, Xuyang","Crystal structure of methyl 2-methyl-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H21NO4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","945","946","10.1515/ncrs-2018-0130","","","0.71073","MoKα","","0.0774","0.0444","","","0.102","0.1141","","","","","","1.049","","","","has coordinates","279771","2022-12-07","09:10:14",""
"8106357","8.9114","0.0003","17.7151","0.0006","12.6087","0.0005","90","","100.052","0.001","90","","1959.93","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","","Khalilov, Ali N.; Asgarova, Ayten R.; Gurbanov, Atash V.; Nagiyev, Farid N.; Brito, Iván","Crystal structure of (E)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H28O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","947","948","10.1515/ncrs-2018-0133","","","0.71073","MoKα","","0.076","0.0606","","","0.1574","0.1711","","","","","","1","","","","has coordinates","279772","2022-12-07","09:15:47",""
"8106358","6.5246","0.0003","7.709","0.0004","13.9243","0.0006","90","","101.24","0.003","90","","686.93","0.06","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 Cl2 N8 -","- C8 H18 Cl2 N8 -","- C16 H36 Cl4 N16 -","2","0.5","","Gao, Fu Lei; Wang, Ying Lei; Chen, Bing; Liu, Wei Xiao; Liu, Ya Jing","Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","949","950","10.1515/ncrs-2018-0139","","","0.71073","MoKα","","0.046","0.032","","","0.0812","0.0878","","","","","","1.032","","","","has coordinates","279773","2022-12-07","09:55:49",""
"8106359","9.6053","0.0002","17.4544","0.0004","14.5156","0.0003","90","","104.644","0.001","90","","2354.55","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl2 N3 O Pd -","- C23 H29 Cl2 N3 O Pd -","- C92 H116 Cl8 N12 O4 Pd4 -","4","1","","Guo-Xing, Li","The crystal structure of dichlorido-(1,3-bis(2,6-dimethylphenyl)-1H-imidazol-2(3H)-ylidene)-(morpholine-κ1 N)palladium(II), C23H29Cl2N3OPd(II)","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","951","952","10.1515/ncrs-2018-0140","","","0.71073","MoKα","","0.0201","0.0184","","","0.0445","0.0455","","","","","","1.048","","","","has coordinates","279774","2022-12-07","09:59:33",""
"8106360","10.263","0.0011","17.8954","0.0016","12.3517","0.0014","90","","102.51","0.011","90","","2214.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl N4 O -","- C24 H21 Cl N4 O -","- C96 H84 Cl4 N16 O4 -","4","1","","Zhang, Xing-Tao; Wang, Hai-Chao; Wang, Teng; Liu, Chao","The crystal structure of 1-((5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-yl)methyl)-1,3-diphenylurea, C24H21ClN4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","953","954","10.1515/ncrs-2018-0154","","","0.71073","MoKα","","0.1132","0.0569","","","0.1221","0.1617","","","","","","1.052","","","","has coordinates","279775","2022-12-07","10:03:59",""
"8106361","9.7453","0.0013","9.9023","0.0013","21.885","0.003","90","","90","","90","","2111.9","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N O10 -","- C16 H22 Br N O10 -","- C64 H88 Br4 N4 O40 -","4","1","","Lin, Ping; Nie, Xu-Liang; Yin, Zhong-Ping; Li, Zhong-Chao; Liu, Jia; Shang-Guan, Xin-Chen; Peng, Da-Yong","Crystal structure of 6-(2-bromoacetamido)tetrahydro-2H-pyran-2,3,4,5-Tetrayl tetraacetate, C16H22BrNO10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","955","957","10.1515/ncrs-2018-0158","","","0.71073","MoKα","","0.0473","0.0357","","","0.0911","0.0981","","","","","","1.017","","","","has coordinates","279776","2022-12-07","10:09:56",""
"8106362","8.019","0.005","9.99","0.006","9.05","0.006","90","","98.474","0.01","90","","717.1","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N4 O -","- C6 H8 N4 O -","- C24 H32 N16 O4 -","4","1","","Gao, Liang-Liang; Zhao, Xiao-Lei; Wu, Wei-Na","Crystal structure of 5-methylpyrazine-2-carbohydrazide, C6H8N4O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","959","960","10.1515/ncrs-2018-0187","","","0.71073","MoKα","","0.0481","0.0405","","","0.113","0.1205","","","","","","1.05","","","","has coordinates","279777","2022-12-07","10:12:33",""
"8106363","8.777","0.003","30.975","0.011","10.229","0.004","90","","105.412","0.007","90","","2680.9","1.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Mn N4 O5 -","- C32 H28 Mn N4 O5 -","- C128 H112 Mn4 N16 O20 -","4","1","","Wang, Yu-Fang; Wei, Jing-Jing; Zhai, Xiao-Hui","Crystal structure of catena-poly[(μ2-5-(tert-butyl)isophthalato-κ4 O,O′:O′′,O′′′)(-4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)manganese(II)], C32H28N4O5Mn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","961","963","10.1515/ncrs-2018-0189","","","0.71073","MoKα","","0.0793","0.0448","","","0.102","0.1136","","","","","","1.055","","","","has coordinates","279778","2022-12-07","10:15:07",""
"8106364","6.223","0.002","7.385","0.002","14.295","0.005","75.491","0.006","77.953","0.006","70.523","0.006","593.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N6 Na2 O10 -","- C18 H24 N6 Na2 O10 -","- C18 H24 N6 Na2 O10 -","1","0.5","","Gao, Xiaonan; Zhang, Cun-Lan; Fu, Ai-Yun","Crystal structure of di-μ2-aqua-tetraaqua-bis(4-(1H-1,2,4-triazol-1-yl)benzoato-κN)disodium(I) C18H24N6Na2O10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","965","966","10.1515/ncrs-2017-0225","","","0.71073","MoKα","","0.0913","0.0517","","","0.129","0.1533","","","","","","1.035","","","","has coordinates,has disorder","279779","2022-12-07","10:18:47",""
"8106365","7.578","0.002","27.729","0.011","8.634","0.002","90","","101.36","0.03","90","","1778.7","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br2 Cl2 Co O6 -","- C14 H10 Br2 Cl2 Co O6 -","- C56 H40 Br8 Cl8 Co4 O24 -","4","1","","Wu, Qiong; Tang, Yafang; Xu, Li; Lei, Yuan; Liu, Ting; Jiang, Fang; Zi, Qiaoli; Qiao, Yongfeng","Crystal structure of diaqua-bis(2-bromo-4-chloro-6-formylphenolato-κ2 O,O′)cobalt(II), C16H16Cl2CrN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","967","968","10.1515/ncrs-2017-0240","","","0.71073","MoKα","","0.1325","0.0668","","","0.1132","0.1452","","","","","","1","","","","has coordinates","279780","2022-12-07","10:31:51",""
"8106366","9.3162","0.0005","10.129","0.0006","16.4352","0.0009","90.43","0.004","100.711","0.005","110.753","0.005","1420.44","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H18 Cu F6 N2 O5 S2 -","- C27 H18 Cu F6 N2 O5 S2 -","- C54 H36 Cu2 F12 N4 O10 S4 -","2","1","","Sun, Hong; Wang, Gao-Feng","Crystal structure of catena-poly[(μ2-1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-one-κ2 N:O)-bis(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olato-κ2 O,O′)copper(II)], C27H18CuF6N2O5S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","969","971","10.1515/ncrs-2017-0352","","","0.71073","MoKα","","0.0728","0.0559","","","0.1471","0.1617","","","","","","1.039","","","","has coordinates","279781","2022-12-07","10:34:27",""
"8106367","26.896","0.003","9.005","0.003","13.737","0.002","90","","94.971","0.011","90","","3314.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 F2 N O5 -","- C18 H13 F2 N O5 -","- C144 H104 F16 N8 O40 -","8","1","","Jia, Xingang; Song, Jing; Cao, Jipeng","Crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C18H15F2NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","973","974","10.1515/ncrs-2017-0376","","","0.71073","MoKα","","0.0744","0.056","","","0.1699","0.1823","","","","","","1.145","","","","has coordinates,has disorder","279782","2022-12-07","10:37:33",""
"8106368","7.1389","0.0005","9.4977","0.0007","14.6456","0.001","105.118","0.003","101.188","0.002","94.739","0.003","931.08","0.12","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","","Ren, Zong-Li; Wang, Lan; Liu, Ling-Zhi; Li, Xiang-Qian; Dong, Wen-Kui","Crystal structure of 5,5′-dimethoxy-2,2′-[1,1′-(ethylenedioxydinitrilo)diethylidyne]diphenol, C20H24N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","975","977","10.1515/ncrs-2017-0391","","","0.71073","MoKα","","0.0758","0.0564","","","0.1505","0.1646","","","","","","1.045","","","","has coordinates","279802","2022-12-08","08:40:46",""
"8106369","7.9157","0.0006","13.4533","0.0008","14.8459","0.001","90","","103.651","0.002","90","","1536.31","0.18","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C64 H56 Cl8 N8 O8 -","4","1","","Fu, Tao; Ma, Jin-Xia; Li, Qing-Lin; Wei, Ping; Zhao, Ji-Xing; Zhao, Li","Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H14Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","979","980","10.1515/ncrs-2017-0405","","","0.71073","MoKα","","0.0482","0.041","","","0.1113","0.1162","","","","","","1.05","","","","has coordinates","279803","2022-12-08","08:43:29",""
"8106370","8.3431","0.0003","16.1109","0.0006","18.1405","0.0007","109.242","0.004","95.119","0.003","103.798","0.003","2197.93","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H84 Cl6 N8 O8 -","- C98 H84 Cl6 N8 O8 -","- C98 H84 Cl6 N8 O8 -","1","0.5","","Xin, Wang; Qingyun, Liu; Liguo, Yang; Nana, Liu; Yongsheng, Niu; Aimin, Wei","Crystal structure of 2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyanine - trichloromethane (1/2), C98H84Cl6N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","981","983","10.1515/ncrs-2018-0005","","","1.54184","CuKα","","0.0743","0.0595","","","0.1565","0.1689","","","","","","1.02","","","","has coordinates","279804","2022-12-08","08:49:32",""
"8106371","8.4167","0.0007","14.037","0.001","34.664","0.003","90","","90","","90","","4095.4","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Crystal structure of methyl 2-((1-2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate","","- C24 H21 N3 O5 -","- C24 H21 N3 O5 -","- C192 H168 N24 O40 -","8","1","","Sun, Yutong; Hong, Wei; Wang, Hao","Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","985","986","10.1515/ncrs-2018-0040","","","0.71073","MoKα","","0.079","0.0457","","","0.0895","0.1001","","","","","","1.068","","","","has coordinates","279805","2022-12-08","09:39:26",""
"8106372","10.0742","0.0014","15.843","0.002","10.3745","0.0015","90","","97.154","0.002","90","","1642.9","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N2 O4 S -","- C16 H16 Cu N2 O4 S -","- C64 H64 Cu4 N8 O16 S4 -","4","1","","Li, Yusheng; Lan, Dawei","Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2 O:O′)-(bipyridine-κ2 N,N′)copper(II)] C16H16CuN2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","987","988","10.1515/ncrs-2018-0065","","","0.71073","MoKα","","0.0548","0.0335","","","0.0614","0.0666","","","","","","1","","","","has coordinates","279818","2022-12-09","08:23:11",""
"8106373","9.7657","0.0005","10.1262","0.0006","16.0745","0.0009","83.025","0.002","77.437","0.002","66.24","0.002","1419.02","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 Cl N2 Ni O5 -","- C32 H26 Cl N2 Ni O5 -","- C64 H52 Cl2 N4 Ni2 O10 -","2","1","","Hong, Yong; Liu, Wei; Gou, Gaozhang","Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4 N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","989","991","10.1515/ncrs-2018-0071","","","0.71073","MoKα","","0.0582","0.0403","","","0.0848","0.0908","","","","","","1.076","","","","has coordinates","279819","2022-12-09","08:25:59",""
"8106374","10.8347","0.0019","14.502","0.003","21.731","0.004","90","","93.344","0.002","90","","3408.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 Cl2 N4 Ni O9 -","- C29 H52 Cl2 N4 Ni O9 -","- C116 H208 Cl8 N16 Ni4 O36 -","4","1","","Liu, Fang; Jia, Guo-Kai; Ou, Guang-Chuan","Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2 O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","993","995","10.1515/ncrs-2018-0095","","","0.71073","MoKα","","0.0424","0.036","","","0.0963","0.1009","","","","","","1.029","","","","has coordinates","279820","2022-12-09","08:29:17",""
"8106375","15.114","0.002","17.574","0.003","14.123","0.002","90","","90","","90","","3751.3","1","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C160 H168 N8 O40 -","8","1","","Yan, Gao","Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","997","998","10.1515/ncrs-2018-0106","","","0.71073","MoKα","","0.1095","0.0626","","","0.1911","0.213","","","","","","1.066","","","","has coordinates","279821","2022-12-09","08:33:32",""
"8106376","13.418","0.004","13.876","0.004","15.182","0.004","90","","98.211","0.003","90","","2797.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H20 F6 N2 S2 -","- C33 H20 F6 N2 S2 -","- C132 H80 F24 N8 S8 -","4","1","","Lv, Junfei; Li, Hui; Pu, Shouzhi","Structure and photochromism of 1,2-bis[2-methyl-5-(3-quinolyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C33H20F6N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","999","1002","10.1515/ncrs-2018-0116","","","0.71073","MoKα","","0.0803","0.05","","","0.1283","0.1456","","","","","","1.009","","","","has coordinates","279822","2022-12-09","08:39:03",""
"8106377","9.6549","0.0003","10.6027","0.0004","13.4938","0.0004","100.824","0.003","99.707","0.003","96.642","0.003","1321.76","0.08","288.03","0.1","288.03","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Co N12 O8.5 -","- C22 H23 Co N12 O8.5 -","- C44 H46 Co2 N24 O17 -","2","1","","Lan, Hong-Hong","Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2 N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1003","1004","10.1515/ncrs-2018-0120","","x-ray","0.71073","MoKα","","0.0427","0.0366","","","0.0878","0.0914","","","","","","1.042","","","","has coordinates,has disorder","279852","2022-12-13","07:45:17",""
"8106378","10.2439","0.0009","11.4323","0.0009","11.9773","0.0011","93.043","0.003","94.892","0.003","114.364","0.002","1267.07","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H33 Cl2 N3 O Pd -","- C25 H33 Cl2 N3 O Pd -","- C50 H66 Cl4 N6 O2 Pd2 -","2","1","","Yang, Jian","The crystal structure of dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-κN)palladium(IV), C25H33Cl2N3OPd","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1005","1006","10.1515/ncrs-2018-0131","","","0.71073","MoKα","","0.0229","0.0212","","","0.0518","0.0528","","","","","","1.076","","","","has coordinates","279853","2022-12-13","07:49:05",""
"8106379","12.095","0.002","13.488","0.003","19.22","0.004","90.221","0.003","92.188","0.003","108.966","0.003","2962.7","1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Cu Ge N8 O41 W12 -","- C30 H30 Cu Ge N8 O41 W12 -","- C60 H60 Cu2 Ge2 N16 O82 W24 -","2","1","","Wu, Li-Zhou","Crystal structure of catena-poly[bis(4,4′-dipyridylaminium-kN)-(μ2-germanowolframato-κ2 O:O′)-(2,2′-bipyridine-κ2 N,N′)copper(II)] with a Keggin-type heteropolyoxoanion, [Cu(C10H8N2)(C10H10N3)2][GeW12O40] ⋅ H2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1007","1010","10.1515/ncrs-2018-0132","","","0.71073","MoKα","","0.0822","0.0624","","","0.1497","0.1622","","","","","","0.988","","","","has coordinates","279854","2022-12-13","07:53:15",""
"8106380","8.3267","0.0007","28.348","0.002","9.1097","0.0008","90","","107.541","0.001","90","","2050.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 La N8 O12 -","- C12 H15 La N8 O12 -","- C48 H60 La4 N32 O48 -","4","1","","Jinli, Liu; Peiling, Zhang","Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)pyridin-1-ium-4-carbohydrazonate-κ3 N,N′,O)-tris[nitrato-κ2 O,O′)lanthanum(III), C12H15N8O12La","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1011","1012","10.1515/ncrs-2018-0134","","","0.71073","MoKα","","0.0283","0.0236","","","0.0536","0.0559","","","","","","1.034","","","","has coordinates","279855","2022-12-13","07:57:36",""
"8106381","4.685","0.0006","7.1895","0.0002","29.1839","0.0003","88.815","0.008","86.346","0.008","80.052","0.009","966.2","0.13","205","","205","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O8 -","- C20 H24 O8 -","- C40 H48 O16 -","2","1","","Chen, Fei; Lang, Tianqiong; Luo, Guoyong; Yang, Wude","The crystal structure of 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethylbenzoic acid–methanol (1/1), C20H24O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1013","1014","10.1515/ncrs-2018-0137","","","0.71073","MoKα","","0.1728","0.0785","","","0.1854","0.2235","","","","","","0.915","","","","has coordinates","279856","2022-12-13","08:06:07",""
"8106382","4.7846","0.0002","9.6099","0.0004","10.326","0.0004","90","","103.137","0.001","90","","462.36","0.03","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H6 Br F O2 S -","- C8 H6 Br F O2 S -","- C16 H12 Br2 F2 O4 S2 -","2","0.5","","Zeng, Huahui; Shen, Qianjin; Wu, Xiangxiang","Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1015","1017","10.1515/ncrs-2018-0142","","","0.71073","MoKα","","0.0215","0.0193","","","0.0494","0.0502","","","","","","1.087","","","","has coordinates,has disorder","279857","2022-12-13","08:14:40",""
"8106383","10.32","0.0018","15.905","0.003","12.913","0.002","90","","97.683","0.004","90","","2100.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Br O2 -","- C23 H27 Br O2 -","- C92 H108 Br4 O8 -","4","1","","Khalilov, Ali N.; Asgarova, Ayten R.; Gurbanov, Atash V.; Maharramov, Abel M.; Nagiyev, Farid N.; Brito, Iván","Crystal structure of (Z)-2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one, C23H27BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1019","1020","10.1515/ncrs-2018-0144","","","0.71073","MoKα","","0.044","0.0319","","","0.0809","0.0872","","","","","","1.041","","","","has coordinates","279858","2022-12-13","08:18:00",""
"8106384","4.3976","0.0006","10.8753","0.0014","19.678","0.003","90","","90","","90","","941.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Sheng, Liang-Quan","Crystal structure of 2-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetic acid, C10H9N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1021","1022","10.1515/ncrs-2018-0145","","","0.71073","MoKα","","0.0519","0.0415","","","0.1005","0.1075","","","","","","1.03","","","","has coordinates","279859","2022-12-13","08:22:54",""
"8106385","6.6363","0.0007","9.0231","0.0009","22.082","0.002","90","","92.765","0.002","90","","1320.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N4 O8 -","- C30 H26 N4 O8 -","- C60 H52 N8 O16 -","2","0.5","","Sheng, Liang-Quan","Crystal structure of 4,4′-(1,4-phenylene)bis(1H-imidazol-3-ium)bis(2-carboxybenzoate), C30H26N4O8","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1023","1024","10.1515/ncrs-2018-0146","","","0.71073","MoKα","","0.0699","0.0455","","","0.1103","0.1234","","","","","","0.955","","","","has coordinates","279860","2022-12-13","08:25:25",""
"8106386","9.773","0.002","14.406","0.003","18.385","0.004","72.64","0.03","82.1","0.03","76.9","0.03","2399.4","1","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H44 N6 -","- C66 H44 N6 -","- C132 H88 N12 -","2","1","","Liu, Yulong; Dong, Zhaojia; Guo, Youquan; Fu, Ying","Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1025","1027","10.1515/ncrs-2018-0147","","","0.71073","MoKα","","0.1293","0.0546","","","0.1165","0.1559","","","","","","0.954","","","","has coordinates","279861","2022-12-13","08:28:15",""
"8106387","17.6924","0.0015","11.3253","0.001","12.8536","0.0011","90","","128.029","0.001","90","","2028.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N12 O2 -","- C20 H18 Co N12 O2 -","- C80 H72 Co4 N48 O8 -","4","0.5","","Li, Jia-Le; Chen, Zhang-Fan; Chen, Shui-Sheng","Crystal structure of catena-poly[diaqua-bis(μ2-5-(3-(1H-imidazol-5-yl)phenyl)tetrazol-2-ido-κ2 N:N′)cobalt(II)], C20H18CoN12O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1029","1030","10.1515/ncrs-2018-0148","","","0.71073","MoKα","","0.0291","0.0258","","","0.0855","0.089","","","","","","1.062","","","","has coordinates","279862","2022-12-13","08:31:11",""
"8106388","38.828","0.004","9.5689","0.0009","26.186","0.002","90","","127.719","0.001","90","","7696","1.2","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 I2 N4 O3 -","- C40 H44 I2 N4 O3 -","- C320 H352 I16 N32 O24 -","8","1","","Yuan, Lin; Li, Zhong-Yan; Yuan, Xian-You; Zhang, Min","Crystal structure of 1,3-dimethyl-2-(p-tolyl)-1H-perimidin-3-ium iodide 1.5 hydrate, C20H22IN2O1.5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1031","1032","10.1515/ncrs-2018-0149","","","0.71073","MoKα","","0.0473","0.0379","","","0.0978","0.1058","","","","","","1.033","","","","has coordinates","279863","2022-12-13","08:43:16",""
"8106389","13.685","0.01","6.461","0.005","15.717","0.012","90","","112.262","0.008","90","","1286.1","1.7","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Li, Zhong-Yan; Yuan, Lin; Yuan, Xian-You; Zhang, Min","Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1033","1034","10.1515/ncrs-2018-0150","","","0.71073","MoKα","","0.05","0.0417","","","0.111","0.12","","","","","","1.048","","","","has coordinates","279864","2022-12-13","08:47:51",""
"8106390","9.5472","0.0006","21.1662","0.001","9.6909","0.0006","90","","110.525","0.007","90","","1834","0.2","291.2","0.3","291.2","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 O8 Zn -","- C18 H12 N4 O8 Zn -","- C72 H48 N16 O32 Zn4 -","4","1","","Hong, Dong-Feng; Guo, Wen-Bo; Yin, Wei-Dong","Crystal structure of poly[(μ2-2-carboxy-5-nitroisophthalato-κ2 O:O′)-(μ2-4-((1H-imidazol-1-yl)methyl)pyridine-κ2 N:N′)zinc(II)], C18H12N4O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1035","1036","10.1515/ncrs-2018-0156","","x-ray","0.71073","MoKα","","0.0441","0.0371","","","0.0781","0.0809","","","","","","1.086","","","","has coordinates","279865","2022-12-13","08:51:20",""
"8106391","8.1348","0.0016","10.1716","0.0017","11.645","0.003","76.485","0.018","77.75","0.019","74.03","0.016","889.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cd2 I4 N10 -","- C26 H30 Cd2 I4 N10 -","- C26 H30 Cd2 I4 N10 -","1","0.5","","Xian-Ju, Shi; Shao-Ling, Wang; Meng-Hui, Liu; Fu-Lin, Xu","Crystal structure of bis(1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)tetraiodidodicadmium(II), [Cd2(C13H15N5)2I4]","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1037","1038","10.1515/ncrs-2018-0157","","x-ray","0.71073","MoKα","","0.1003","0.0597","","","0.1184","0.1251","","","","","","1.045","","","","has coordinates","279866","2022-12-13","09:00:23",""
"8106392","12.1072","0.0011","27.878","0.003","11.4494","0.0009","90","","102.011","0.002","90","","3779.9","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H96 N10 O28 Zn4 -","- C62 H96 N10 O28 Zn4 -","- C124 H192 N20 O56 Zn8 -","2","0.5","","Niu, Xue L.; Yang, Hua","Crystal structure of tetramethylammonium bis(acetato-κ1 O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5 O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1039","1041","10.1515/ncrs-2018-0160","","","0.71073","MoKα","","0.076","0.0448","","","0.0975","0.1092","","","","","","1.041","","","","has coordinates","279867","2022-12-13","09:11:51",""
"8106393","12.577","0.003","10.932","0.002","14.726","0.003","90","","107.145","0.002","90","","1934.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N2 O5 Zn -","- C17 H22 N2 O5 Zn -","- C68 H88 N8 O20 Zn4 -","4","1","","Xin-Hong, Chang","Crystal structure of poly[(μ4-5-tert-butylisophthalato-κ4 O:O′:O′′:O′′′)-(1,3-dimethyl-2-imidazolidinone-κO)zinc(II)] C17H22N2O5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1043","1045","10.1515/ncrs-2018-0161","","","0.71073","MoKα","","0.0474","0.0329","","","0.074","0.0808","","","","","","1.022","","","","has coordinates,has disorder","279868","2022-12-13","09:17:37",""
"8106394","14.863","0.003","13.184","0.003","17.202","0.003","90","","91.33","0.03","90","","3369.9","1.2","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cd N8 O7 -","- C34 H36 Cd N8 O7 -","- C136 H144 Cd4 N32 O28 -","4","1","","Jing, Chen; Lingcong, Zhang; Jingwen, Chen; Haodong, Zhang","Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ4 N,N′,N′′,N′′′]-[(pyridine-2,6-dicarboxylato-κ2 O,N)]cadmium(II)–methanol (1:3) C34H36CdN8O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1047","1049","10.1515/ncrs-2018-0162","","","0.71073","MoKα","","0.0349","0.0311","","","0.0802","0.0825","","","","","","1.041","","","","has coordinates","279869","2022-12-13","09:22:33",""
"8106395","7.9247","0.0005","8.9507","0.0005","13.5143","0.0008","92.428","0.002","92.085","0.003","98.871","0.003","945.38","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(bis(1<i>H</i>-benzimidazol-2-amine)-κ^2^N,N') diiodidecadmium(II)","","- C14 H14 Cd I2 N6 -","- C14 H14 Cd I2 N6 -","- C28 H28 Cd2 I4 N12 -","2","1","","Zhang, Jin-Tao; Fu, Zi-Ying; Li, An-Wen; Yang, Huai-Xia; Xu, Min","The crystal structure of bis(1H-benzo[d]imidazol-2-amine-κN)-diiodidocadmium(II), C14H14CdI2N6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1051","1052","10.1515/ncrs-2018-0164","","","0.71073","MoKα","","0.0373","0.0281","","","0.0619","0.0653","","","","","","1.051","","","","has coordinates","279870","2022-12-13","09:30:46",""
"8106396","22.77","0.011","12.482","0.006","14.098","0.007","90","","95.054","0.008","90","","3991","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis[(bis(1<i>H</i>-benzimidazol-2-amine)-κ^2^N,N')sulphate-κO- zinc(II)-methanol(1/1)]","","- C30 H36 N12 O10 S2 Zn2 -","- C30 H36 N12 O10 S2 Zn2 -","- C120 H144 N48 O40 S8 Zn8 -","4","0.5","","Liu, Yan-Ju; Li, An-Wen; Xing, Chen; Tian, Xiao-Zhi","Crystal structure of tetrakis(1H-benzimidazol-2-amine)-κN)-bis(μ2-sulfonato-κ2 O:O′)dizinc(II) - methanol (1/1), C30H36N12O10S2Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1053","1055","10.1515/ncrs-2018-0165","","","0.71073","MoKα","","0.0585","0.039","","","0.1006","0.112","","","","","","1.042","","","","has coordinates,has disorder","279899","2022-12-15","08:09:21",""
"8106397","6.3752","0.0016","12.607","0.003","26.943","0.007","90","","90","","90","","2165.5","0.9","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O -","- C24 H41 N O -","- C96 H164 N4 O4 -","4","1","","Huo, Shao-Jie; Wu, Ji-Chun; He, Xi-Chen; Wu, Qi-Yun; Du, Jiang","Crystal structure of 3β-methoxy-20α-dimethylamino-pregn-5-ene, C24H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1057","1058","10.1515/ncrs-2018-0168","","","0.71073","MoKα","","0.0987","0.0578","","","0.1063","0.1232","","","","","","0.958","","","","has coordinates","279900","2022-12-15","08:12:08",""
"8106398","7.4156","0.0005","31.415","0.002","5.9451","0.0004","90","","90","","90","","1384.98","0.16","297","2","297.05","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","0.5","","Maxweel, Lindley; Cárdenas, Alejandro; Brito, Iván","Crystal structure of dimethyl 4,4′-oxydibenzoate, C16H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1059","1060","10.1515/ncrs-2018-0170","","","0.71073","MoKα","","0.0364","0.0316","","","0.0885","0.0924","","","","","","1.063","","","","has coordinates","279901","2022-12-15","08:49:33",""
"8106399","8.8359","0.0015","15.585","0.003","15.163","0.003","90","","95.534","0.003","90","","2078.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 I2 N4 O Zn -","- C17 H16 I2 N4 O Zn -","- C68 H64 I8 N16 O4 Zn4 -","4","1","","Zhang, Hong; Zou, Xiaoqing; Feng, Qiran; Xu, Baoming; Pang, Haixia","Crystal structure of catena-poly[diiodido-(μ2-1,5-dimethyl-2-phenyl-4-((pyridin-3-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2 N:O)zinc(II)], C17H16I2N4OZn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1061","1062","10.1515/ncrs-2018-0171","","","0.71073","MoKα","","0.0675","0.0364","","","0.101","0.1265","","","","","","1.056","","","","has coordinates","279902","2022-12-15","09:06:21",""
"8106400","8.412","0.003","22.056","0.008","12.125","0.004","90","","102.316","0.005","90","","2197.8","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F2 N2 O3 S -","- C26 H18 F2 N2 O3 S -","- C104 H72 F8 N8 O12 S4 -","4","1","","Liu, Lian-Dong; Liu, Shu-Lian; Hou, Gui-Ge","Crystal structure of 4-((E)-((E)-5-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-4-oxopiperidin-3-ylidene)methyl)benzonitrile, C26H18F2N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1063","1065","10.1515/ncrs-2018-0174","","","0.71073","MoKα","","0.067","0.0475","","","0.1076","0.1156","","","","","","1.033","","","","has coordinates","279903","2022-12-15","09:14:17",""
"8106401","9.9422","0.0018","16.904","0.003","15.5509","0.0019","90","","128.569","0.007","90","","2043.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6 Zn -","- C18 H22 N4 O6 Zn -","- C72 H88 N16 O24 Zn4 -","4","1","","Zuo, Jian","Crystal structure of bis(acetato-κ1 O)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2 N,N′)zinc(II), C18H22N4O6Zn","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1067","1068","10.1515/ncrs-2018-0175","","","0.71073","MoKα","","0.0665","0.0347","","","0.0599","0.0663","","","","","","1.15","","","","has coordinates","279904","2022-12-15","09:17:31",""
"8106402","20.179","0.012","10.902","0.007","15.026","0.009","90","","90","","90","","3306","4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17 H21 Br N2 O2 -","- C17 H21 Br N2 O2 -","- C136 H168 Br8 N16 O16 -","8","1","","Bo, Zhao; Shilu, Zhang","The crystal structure of 9-butoxy-2-(hydroxymethyl)-2H-imidazo[1,5-a]quinolin-10-ium bromide, C17H21O2N2Br","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1069","1070","10.1515/ncrs-2018-0176","","","0.71073","MoKα","","0.0977","0.0465","","","0.107","0.1276","","","","","","1.018","","","","has coordinates","279905","2022-12-15","09:20:47",""
"8106403","17.956","0.0006","9.8553","0.0003","25.5955","0.0007","90","","90","","90","","4529.4","0.2","107.45","0.1","107.45","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","2","","Wang, Limin; Zhao, Linxiu; Qin, Tingting","Crystal stucture of 2-(tert-butyl)-6-(hydroxymethyl)-4-methylphenol, C12H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1071","1072","10.1515/ncrs-2018-0177","","x-ray","0.71073","MoKα","","0.0677","0.049","","","0.1071","0.1162","","","","","","1.061","","","","has coordinates","279906","2022-12-15","09:23:21",""
"8106404","10.66","0.008","9.523","0.008","18.275","0.015","90","","99.248","0.012","90","","1831","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl Hg N4 O8 -","- C15 H15 Cl Hg N4 O8 -","- C60 H60 Cl4 Hg4 N16 O32 -","4","1","","Huang, Cun-Han; Gao, Liang-Liang; Wu, Wei-Na","Crystal structure of catena-poly[(2-(5-chloroquinolin-8-yloxy)-1-(pyrrolidin-1-yl)ethan-1-one-κ3 N,O,O′)-(dinitrato-κ2 O,O′)mercury(II)], C15H15N4O8ClHg","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1073","1074","10.1515/ncrs-2018-0188","","","0.71073","MoKα","","0.0375","0.0267","","","0.0655","0.0696","","","","","","1.075","","","","has coordinates","279907","2022-12-15","09:25:39",""
"8106405","12.83","0.003","8.1101","0.0016","14.9","0.003","90","","114.88","0.03","90","","1406.5","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","","Dorovatovskii, Pavel V.; Sadigova, Nurlana D.; Cárdenas, Alejandro; Cisterna, Jonathan; Brito, Iván","Crystal structure of dimethyl (3aS,6R,6aS,7S)-1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-3a 1,6a-dicarboxylate, C16H16O7","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1075","1077","10.1515/ncrs-2018-0195","","","0.9699","synchrotonradiation","","0.0806","0.0578","","","0.1384","0.1799","","","","","","1.518","","","","has coordinates","279908","2022-12-15","09:29:51",""
"8106406","7.1343","0.0004","22.493","0.001","9.7835","0.0004","90","","106.876","0.005","90","","1502.37","0.13","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Cl3 N4 O4 -","- C27 H33 Cl3 N4 O4 -","- C54 H66 Cl6 N8 O8 -","2","0.5","","Liu, Wan-li; Sui, Hong; She, Gai-mei; Quan, Hai-Yuan; She, Dong-Mei","The crystal structure of 2-(dimethoxymethyl)-4-(4-methylphenyl)-1H-imidazole—petroleum ether-chloroform (3/1), C27H33Cl3N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1079","1080","10.1515/ncrs-2018-0198","","","0.71073","MoKα","","0.0816","0.0605","","","0.1428","0.1517","","","","","","1.03","","","","has coordinates","279909","2022-12-15","09:39:14",""
"8106407","7.276","0.002","6.7773","0.0019","17.613","0.005","90","","90","","90","","868.5","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","8-(trifluoromethyl)imidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde,","","- C9 H5 F3 N2 O -","- C9 H5 F3 N2 O -","- C36 H20 F12 N8 O4 -","4","0.5","","You, Gui-Rong; Rao, Guo-Wu","Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1081","1082","10.1515/ncrs-2018-0199","","","0.71073","MoKα","","0.0443","0.0399","","","0.1079","0.1122","","","","","","1.068","","","","has coordinates","279910","2022-12-15","09:43:04",""
"8106408","5.8073","0.0002","31.2564","0.0009","24.8105","0.0008","90","","90.13","","90","","4503.5","0.2","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O2 -","- C27 H24 N4 O2 -","- C216 H192 N32 O16 -","8","2","","Zuo, Zhenyu; Lei, Fuhou; Song, Xiao; Wang, Lu","The crystal structure of N,N-diethyl-4,6-bis(naphthalen-2-yloxy)-1,3,5-triazin-2-amine, C27H24N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1083","1085","10.1515/ncrs-2018-0207","","","1.54184","CuKα","","0.0828","0.0644","","","0.1607","0.1854","","","","","","1.064","","","","has coordinates,has disorder","279911","2022-12-15","09:51:05",""
"8106409","7.325","0.0006","8.6187","0.0006","9.966","0.0006","107.866","0.002","102.329","0.002","105.307","0.002","547.06","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br Cl O2 -","- C12 H8 Br Cl O2 -","- C24 H16 Br2 Cl2 O4 -","2","1","","Lu, Min; Li, Jianqing; Ma, Ling","Crystal structure of 5-bromo-7-chloro-3,3a-dihydrocyclopenta[b]chromen-1(2H)-one, C12H8BrClO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1087","1088","10.1515/ncrs-2018-0209","","","0.71073","MoKα","","0.074","0.0487","","","0.1017","0.1166","","","","","","1.002","","","","has coordinates","279912","2022-12-15","09:54:29",""
"8106410","18.5399","0.0019","9.5907","0.001","16.8149","0.0017","90","","111.307","0.002","90","","2785.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 F2 N3 S -","- C14 H11 F2 N3 S -","- C112 H88 F16 N24 S8 -","8","1","","Liu, Weiping","Crystal structure of 2-(bis(4-fluorophenyl)methylene)hydrazine-1-carbothioamide, C14H11F2N3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1089","1090","10.1515/ncrs-2018-0214","","","0.71073","MoKα","","0.0437","0.039","","","0.1269","0.1317","","","","","","1.047","","","","has coordinates","279913","2022-12-15","10:01:58",""
"9017203","15.1045","","7.1629","","9.8949","","90","","110.64","","90","","1001.84","","","","","","","","","","","","Sapucaia mine, Brazil","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(NaMnMg)","- Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4 -","- Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4 -","- Al0.328 Ca0.554 Fe4.908 H36 Mg3.09 Mn1.922 Na1.138 O52 P8 -","2","0.5","","Kampf, A. R.; Elliott, P.; Nash, B. P.; Chiappino, L.; Varvello, S.","Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil and the White Rock No. 2 quarry, Australia","The Canadian Mineralogist","2018","56","","871","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017255","11.044","","25.431","","6.412","","90","","90","","90","","1800.87","","","","100","","","","","","","","Hagendorf Sud, Bavaria, Germany","7","P m a b","-P 2b 2a","57","","","Wildenauerite","- Fe2.44 H18 Mg0.06 Mn1.2 O23 P3 Zn1.166 -","- Fe2.44 H18 Mg0.06 Mn1.2 O23 P3 Zn1.166 -","- Fe9.76 H72 Mg0.24 Mn4.8 O92 P12 Zn4.664 -","4","0.5","","Grey, I. E.; Kampf, A. R.; Keck, E.; MacRae, C. M.; Cashion, J. D.; Gozukara, Y.","Crystal chemistry of schoonerite-group minerals Note: sample ICG-14, T = 100 K","European Journal of Mineralogy","2018","30","","621","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017280","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6 -","- As56 Ca32.288 F1.882 Fe15.072 Mn4 O170.256 Ti12 -","- As56 Ca32.288 F1.882 Fe15.072 Mn4 O170.256 Ti12 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017281","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31 -","- As56 Ca32 F2 Fe14.556 Mn3.88 O168 Ti10.62 -","- As56 Ca32 F2 Fe14.556 Mn3.88 O168 Ti10.62 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: neutron diffraction province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017282","15.9507","","15.9507","","15.9507","","90","","90","","90","","4058.25","","","","","","","","","","","","Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola","7","P n -3 :2","-P 2ab 2bc 3","201","","","Cafarsite","- As28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6 -","- As56 Ca32.288 F1.938 Fe15.012 Mn4 O168 Ti12 -","- As56 Ca32.288 F1.938 Fe15.012 Mn4 O168 Ti12 -","","","","Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.","On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xraysplit final province, Italy","Physics and Chemistry of Minerals","2018","45","","819","829","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017283","12.385","","9.261","","10.77","","90","","97.1","","90","","1225.82","","","","100","","","","","","","","Middle Pit, Gold Hill mine, Tooele Co., Utah, USA","6","P 1 21/c 1","-P 2ybc","14","","","Philipsburgite","- As1.628 Cu5 H8 O15 P0.372 Zn -","- As1.628 Cu5 H8 O15 P0.372 Zn -","- As6.512 Cu20 H32 O60 P1.488 Zn4 -","4","1","","Krivovichev, S. V.; Zhitova, E. S.; Ismagilova, R. M.; Zolotarev, A. A.","Site-selective As-P substitution and hydrogen bonding in the crystal structure of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O Note: T = 100 K","Physics and Chemistry of Minerals","2018","45","","917","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017334","5.2475","","5.2475","","23.6795","","90","","90","","120","","564.687","","","","","","","","","","","","Merehead quarry, Somerset, England","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C H O4 Pb1.50001 -","- C6 H6 O24 Pb9.00006 -","6","0.166667","","Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica, Section B","2018","74","","182","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9017335","5.257","","5.257","","23.636","","90","","90","","120","","565.693","","","","","","","","","","","","Synthetic","4","R -3 m :H","-R 3 2""","166","","","Hydrocerussite","- C H O4 Pb1.5 -","- C H O4 Pb1.50001 -","- C6 H6 O24 Pb9.00006 -","6","0.166667","","Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R.","Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy","Acta Crystallographica, Section B","2018","74","","182","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:47",""
"9017336","7.1255","","7.1255","","66.2902","","90","","90","","120","","2914.81","","","","","","","","","","","","Hatrurim Complex, Arad, Israel","8","R -3 m :H","-R 3 2""","166","","","Aravaite","- C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 -","- C1.38 Ba3 Ca26.433 F5.184 Na0.567 O59.58 P4.44 Si9 -","- C2.76 Ba6 Ca52.866 F10.368 Na1.134 O119.16 P8.88 Si18 -","2","0.0555556","","Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A.","Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers","Acta Crystallographica, Section B","2018","74","","492","501","","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","288043","2023-12-05","16:05:09",""
"9017428","4.804","","5.781","","3.5817","","90","","90","","90","","99.471","","","","","","","","0","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017429","4.771","","5.756","","3.5663","","90","","90","","90","","97.937","","","","","","","","1700000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017430","4.751","","5.729","","3.5467","","90","","90","","90","","96.536","","","","","","","","3830000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017431","4.698","","5.667","","3.5088","","90","","90","","90","","93.417","","","","","","","","8100000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017432","4.603","","5.581","","3.4492","","90","","90","","90","","88.608","","","","","","","","17300000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017433","4.555","","5.524","","3.409","","90","","90","","90","","85.777","","","","","","","","24400000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017434","4.488","","5.471","","3.3734","","90","","90","","90","","82.83","","","","","","","","32000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017435","4.404","","5.391","","3.3185","","90","","90","","90","","78.788","","","","","","","","46000000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017436","4.7885","","5.7782","","3.5821","","90","","90","","90","","99.113","","","","198.2","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017437","4.7893","","5.7775","","3.5795","","90","","90","","90","","99.045","","","","148.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017438","4.7834","","5.7767","","3.5789","","90","","90","","90","","98.893","","","","50.4","","","","100","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017439","4.751","","5.723","","3.5501","","90","","90","","90","","96.527","","","","197","","","","3680000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017440","4.7446","","5.772","","3.5512","","90","","90","","90","","97.253","","","","116","","","","3640000","","","","Paradox Valley, Uravan District, Montrose County, Colorado, USA","2","P n n m","-P 2 2n","58","","","Ferroselite","- Fe Se2 -","- Fe2 Se4 -","- Fe2 Se4 -","","","","Lavina, B.; Downs, R. T.; Sinogeikin, S.","The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa","Crystals","2018","8","","","289","10.3390/cryst8070289","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:59",""
"9017473","6.319","","6.4521","","15.3158","","85.855","","89.828","","79.065","","611.46","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","Romerite","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","- Fe3 H28 O30 S4 -","","","","Mereiter, K.","Experimental crystal structure determination","ICSD Communications","2018","2018","","","","10.25505/fiz.icsd.cc20vqsd","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017474","6.6548","","8.9204","","11.6053","","97.26","","95.634","","90.383","","679.979","","","","296","","","","","","","","Tierra Amarilla, Chile","4","P -1","-P 1","2","","","Amarantite","- Fe H7 O8 S -","- Fe4 H28 O32 S4 -","- Fe4 H28 O32 S4 -","","","","Mereiter, K.","Experimental crystal structure determination Note: T = 296 K","ICSD Communications","2018","2018","","","","10.25505/fiz.icsd.cc20vqtf","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017475","6.6278","","8.8605","","11.579","","97.564","","95.709","","90.355","","670.595","","","","100","","","","","","","","Tierra Amarilla, Chile","4","P -1","-P 1","2","","","Amarantite","- Fe H7 O8 S -","- Fe4 H28 O32 S4 -","- Fe4 H28 O32 S4 -","","","","Mereiter, K.","Experimental crystal structure determination Note: T = 100 K","ICSD Communications","2018","2018","","","","10.25505/fiz.icsd.cc20vqvg","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:01",""
"9017712","8.792","","11.743","","6.169","","90","","99.35","","90","","628.453","","","","","","","","","","","","type sample from phosphate pegmatites from Michalkowa, Poland","6","P 1 21/c 1","-P 2ybc","14","","","Graftonite-(Ca)","- Ca0.98 Fe1.39 Mg0.05 Mn0.58 O8 P2 -","- Ca3.92 Fe5.56 Mg0.2 Mn2.32 O32 P8 -","- Ca3.92 Fe5.56 Mg0.2 Mn2.32 O32 P8 -","","","","Pieczka, A.; Hawthorne, F. C.; Ball, N.; Abdu, Y.; Golebiowska, B.; Wlodek, A.; Zukrowski, J.","Graftonite-(Mn), ideally M1MnM2,M3Fe2(PO4)2, and graftonite-(Ca), ideally M1CaM2,M3Fe2(PO4)2, two new minerals of the graftonite group from Poland","Mineralogical Magazine","2018","82","","1307","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:16",""
"9017713","8.811","","11.494","","6.138","","90","","99.23","","90","","613.569","","","","","","","","","","","","type sample from phosphate pegmatites from Lutomia, Poland","6","P 1 21/c 1","-P 2ybc","14","","","Graftonite-(Mn)","- Ca0.3 Fe1.34 Mg0.06 Mn1.3 O8 P2 -","- Ca1.2 Fe5.36 Mg0.24 Mn5.2 O32 P8 -","- Ca1.2 Fe5.36 Mg0.24 Mn5.2 O32 P8 -","","","","Pieczka, A.; Hawthorne, F. C.; Ball, N.; Abdu, Y.; Golebiowska, B.; Wlodek, A.; Zukrowski, J.","Graftonite-(Mn), ideally M1MnM2,M3Fe2(PO4)2, and graftonite-(Ca), ideally M1CaM2,M3Fe2(PO4)2, two new minerals of the graftonite group from Poland","Mineralogical Magazine","2018","82","","1307","1322","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:16",""
"9017714","8.799","","11.724","","6.17","","90","","99.23","","90","","628.253","","","","","","","","","","","","Yellowknife pegmatite field, Northwest Territories, Canada","5","P 1 21/c 1","-P 2ybc","14","","","Beusite-(Ca)","- Ca0.94 Fe0.92 Mn1.14 O8 P2 -","- Ca3.76 Fe3.68 Mn4.56 O32 P8 -","- Ca3.76 Fe3.68 Mn4.56 O32 P8 -","","","","Hawthorne, F. C.; Wise, M. A.; Cerny, P.; Abdu, Y. A.; Ball, N. A.; Pieczka, A.; Wlodek, A.","Beusite-(Ca), ideally CaMn22+(PO4)2, a new graftonite-group mineral from the Yellowknife pegmatite field, Northwest Territories, Canada: Description and crystal structure","Mineralogical Magazine","2018","82","","1323","1332","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:16",""
"9017762","9.49","","9.49","","6.4777","","90","","90","","120","","505.224","","","","","","","","","","","","Szklary pegmatite, Lower Silesia, Poland","9","P 63/m","-P 6c","176","","","Parafiniukite","- Ca2.33 Cl0.48 F0.11 H0.41 Mg0.03 Mn2.63 Na0.01 O12.41 P3 -","- Ca2.33 Cl0.48 F0.11 H0.41 Mg0.03 Mn2.63 Na0.01 O12.41 P3 -","- Ca4.66 Cl0.96 F0.22 H0.82 Mg0.06 Mn5.26 Na0.02 O24.82 P6 -","2","0.166667","","Pieczka, A.; Biagioni, C.; Golebiowska, B.; Jelen, P.; Pasero, M.; Sitarz, M.","Parafiniukite, Ca2Mn3(PO4)3Cl, a new member of the apatite supergroup from the Szklary pegmatite, Lower Silesia, Poland: description and crystal structure","Minerals","2018","8","","","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017763","22.052","","17.118","","19.354","","90","","90.474","","90","","7305.62","","","","","","","","","","","","Jachymov District, Bohemia, Czech Republic","6","P 1 c 1","P -2yc","7","","","Paddlewheelite","- C24 Ca10 Cu4 Mg2 O154.25 U8 -","- C48 Ca20 Cu8 Mg4 O308.5 U16 -","- C48 Ca20 Cu8 Mg4 O308.5 U16 -","","","","Olds, T. A.; Plasil, J.; Kampf, A. R.; Dal Bo, F.; Burns, P. C.","Paddlewheelite, a new uranyl carbonate from the Jachymov District, Bohemia, Czech Republic","Minerals","2018","8","","","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017799","14.0751","","6.5014","","11.0426","","90","","105.632","","90","","973.109","","","","","","","","","","","","Fornovolasco mine, Tuscany, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Melanterite","- Fe0.925 H14 Mg0.075 O11 S -","- Fe0.925 H14 Mg0.075 O11 S -","- Fe3.7 H56 Mg0.3 O44 S4 -","4","1","","Mauro, D.; Biagioni, C.; Pasero, M.","Crystal-chemistry of sulfates from Apuan Alps (Tuscany, Italy). I. Crystal structure and hydrogen bond system of melanterite, Fe(H2O)6(SO4)*H2O","Periodico di Mineralogia","2018","87","","89","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017886","6.6559","","8.9161","","11.6069","","97.221","","95.655","","90.412","","679.885","","","","","","","","","","","","Mina Quetana, Atacama desert, Chile","4","P -1","-P 1","2","","","Amarantite","- Fe H7 O8 S -","- Fe4 H28 O32 S4 -","- Fe4 H28 O32 S4 -","","","","Majzlan, J.; Dachs, E.; Benisek, A.; Plasil, J.; Sejkora, J.","Thermodynamics, crystal chemistry and structural complexity of the Fe(SO4)(OH)(H2O)x phases: Fe(SO4)(OH), metahohmannite, butlerite, parabutlerite, amarantite, hohmannite, and fibroferrite","European Journal of Mineralogy","2018","30","","259","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017890","13.454","","13.454","","8.459","","90","","90","","120","","1326.03","","","","","","","","","","","","May Day mine, La Plata District, Colorado, USA","2","P -6","P -6","174","","","Stutzite","- Ag10.96 Te7 -","- Ag32.88 Te21 -","- Ag32.88 Te21 -","","","","Bindi, L.; Keutsch, F. N.","Old defined minerals with complex, still unresolved structures: the case of stutzite, Ag5-xTe3 Note: type sample","Zeitschrift fur Kristallographie","2018","233","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017914","10.9631","","10.9631","","51.473","","90","","90","","120","","5357.68","","","","","","","","","","","","Hongshan Cu-Au deposit, NW China","5","R -3 :H","-R 3","148","","","Paracoquimbite","- Al0.062 Fe1.938 H18 O21 S3 -","- Al0.0625 Fe1.93775 H18 O21 S3 -","- Al0.75 Fe23.253 H216 O252 S36 -","12","0.666667","","Yang, Z.; Giester, G.","Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China","European Journal of Mineralogy","2018","30","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017915","10.9344","","10.9344","","17.09","","90","","90","","120","","1769.55","","","","","","","","","","","","Hongshan Cu-Au deposit, NW China","5","P -3 1 c","-P 3 2c","163","","","Coquimbite","- Al0.38 Fe1.621 H18 O21 S3 -","- Al0.3795 Fe1.6205 H18 O21 S3 -","- Al1.518 Fe6.482 H72 O84 S12 -","4","0.333333","","Yang, Z.; Giester, G.","Structure refinements of coquimbite and paracoquimbite from the Hongshan Cu-Au deposit, NW China","European Journal of Mineralogy","2018","30","","849","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""